0 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.3 C#CCC(=O)CCCN(C)C 1458a_100011220946_100000695564 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.3 C#CCC(=O)CCOC(C)C 1458a_100011220946_100000211751 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.3 C#CCC(=O)CCSC(C)C 1458a_100011220946_100000730970 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.3 C#CCC(=O)COCC(C)C 1458a_100011223364_100000184674 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.3 C#CCC(=O)NCCC(C)C 1626a_100000210545_100011220946 [0,0,0,0,0,0|1,0,2]=3 8 B10R0.3 C#CCC(=O)NCCC(C)C 527a_100000210545_100011220946 [0,0,0,0,0,0|1,0,2]=3 9 B10R0.3 C#CCC(=O)NCCC(C)O 527a_200000755665_100011220946 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.3 C#CCC(=O)NCCN(C)C 527a_100000210585_100011220946 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.3 C#CCC(C)OCCC(C)C 34a_100000685586_100000210312 [0,0,0,0,0,0|1,0,3]=4 12 B10R0.3 C#CCC(C)OCCC(C)C 7a_100000685586_100000210626 [0,0,0,0,0,0|1,0,3]=4 13 B10R0.3 C/C=C/C(C)OCCC(C)C 34a_200102604097_100000210312 [0,0,0,0,0,0|1,0,3]=4 14 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,0,0,0,0,0|1,0,3]=4 15 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,0,0,0,0,0|1,0,3]=4 16 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,0,0,0,0,0|1,0,3]=4 17 B10R0.3 C=C(C)CNNC(=O)CCC 22a_100000729518_100000211992 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,0,0,0,0,0|1,0,2]=3 21 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,0,0,0,0,0|1,0,2]=3 22 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.3 C=CCC(=O)CCCN(C)C 1458a_100000210193_100000695564 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.3 C=CCC(=O)NCCC(C)C 11a_100000210545_100000210193 [0,0,0,0,0,0|1,0,2]=3 28 B10R0.3 C=CCC(=O)NCCC(C)C 1626a_100000210545_100000210193 [0,0,0,0,0,0|1,0,2]=3 29 B10R0.3 C=CCC(=O)NCCC(C)C 240690a_100000210545_100000210193 [0,0,0,0,0,0|1,0,2]=3 30 B10R0.3 C=CCC(=O)NCCC(C)C 527a_100000210545_100000210193 [0,0,0,0,0,0|1,0,2]=3 31 B10R0.3 C=CCC(=O)NCCC(C)O 240690a_200000755665_100000210193 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.3 C=CCC(=O)NCCC(C)O 527a_200000755665_100000210193 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.3 C=CCC(=O)NCCN(C)C 240690a_100000210585_100000210193 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.3 C=CCC(=O)NCCN(C)C 527a_100000210585_100000210193 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.3 C=CCC(=O)NNCC(C)C 22a_100000696102_100000210193 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [0,0,0,0,0,0|1,0,3]=4 37 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [0,0,0,0,0,0|1,0,3]=4 38 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,0,0,0,0,0|1,0,2]=3 39 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.3 CC#CC(=O)CCCN(C)C 1458a_100000763181_100000695564 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.3 CC#CC(=O)CCOC(C)C 1458a_100000763181_100000211751 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.3 CC#CC(=O)CCSC(C)C 1458a_100000763181_100000730970 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.3 CC#CC(=O)NNCC(C)C 22a_100000696102_100000763181 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.3 CC#CC(C)OCCC(C)C 34a_100011216543_100000210312 [0,0,0,0,0,0|1,0,3]=4 45 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,0,0,0,0,0|3,0,1]=4 47 B10R0.3 CC(Br)CCOC(C)CCO 34a_100009893172_100009893172 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.3 CC(C)/C=C/CC(=O)CCF 1458a_100016292215_100011217306 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [0,0,0,0,0,0|2,0,1]=3 54 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [0,0,0,0,0,0|2,0,1]=3 55 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,0,0,0,0,0|2,0,0]=2 56 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,0,0,0,0,0|2,0,0]=2 57 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,0,0,0,0,0|2,0,0]=2 58 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,0,0,0,0,0|4,0,0]=4 59 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,0,0,0,0,0|4,0,0]=4 60 B10R0.3 CC(C)CCNC(=O)C=CBr 1626a_100000210545_100016273825 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.3 CC(C)CCNC(=O)C=CBr 240690a_100000210545_100016273825 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.3 CC(C)CCNC(=O)C=CCl 11a_100000210545_200016279998 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.3 CC(C)CCNC(=O)C=CCl 1626a_100000210545_200016279998 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.3 CC(C)CCNC(=O)C=CCl 240690a_100000210545_200016279998 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.3 CC(C)CCNC(=O)C=CI 1626a_100000210545_100016256311 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.3 CC(C)CCNC(=O)CC#N 1626a_100000210545_100051588842 [0,0,0,0,0,0|2,0,1]=3 67 B10R0.3 CC(C)CCNC(=O)CC#N 240690a_100000210545_100051588842 [0,0,0,0,0,0|2,0,1]=3 68 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,0,0,0,0,0|2,0,0]=2 69 B10R0.3 CC(C)CCN[C@H](C)CCO 2230a_100000706166_100000210312 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.3 CC(C)CCN[C@H](C)CCO 269862a_100000706166_100000185833 [0,0,0,0,0,0|3,0,1]=4 71 B10R0.3 CC(C)CCN[C@H](C)CCO 34a_100000706166_100000210312 [0,0,0,0,0,0|3,0,1]=4 72 B10R0.3 CC(C)CCOC(C)CC#N 7a_100000210254_100009813641 [0,0,0,0,0,0|2,0,2]=4 73 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [0,0,0,0,0,0|2,0,1]=3 74 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [0,0,0,0,0,0|2,0,1]=3 75 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [0,0,0,0,0,0|2,0,1]=3 76 B10R0.3 CC(C)CCSC(C)CCO 62a_100000210312_100009893172 [0,0,0,0,0,0|2,1,1]=4 77 B10R0.3 CC(C)CCSC(C)CCO 62a_100009893172_100000210312 [0,0,0,0,0,0|2,1,1]=4 78 B10R0.3 CC(C)CNCC(=O)NCO 2230a_100000210953_100000185155 [0,0,0,0,0,0|4,0,0]=4 79 B10R0.3 CC(C)CNCC(=O)NCO 34a_100000210953_100000185155 [0,0,0,0,0,0|4,0,0]=4 80 B10R0.3 CC(C)CNNC(=O)CC#N 22a_100000696102_100051588842 [0,0,0,0,0,0|3,0,1]=4 81 B10R0.3 CC(C)CNNC(=O)CCO 22a_100000696102_100011216618 [0,0,0,0,0,0|3,0,0]=3 82 B10R0.3 CC(C)COCC(=O)CC#N 1458a_100011223364_100011214920 [0,0,0,0,0,0|3,0,1]=4 83 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [0,0,0,0,0,0|3,0,0]=3 84 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,0,0,0,0,0|3,0,0]=3 85 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,0,0,0,0,0|4,0,0]=4 86 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000185155_100000210760 [0,0,0,0,0,0|4,0,0]=4 87 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000210624_100000185155 [0,0,0,0,0,0|4,0,0]=4 88 B10R0.3 CC(C)OCCC(=O)CC#N 1458a_100051588842_100000211751 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,0,0,0,0,0|3,0,0]=3 90 B10R0.3 CC(C)OCOC(C)CCBr 34a_100012276601_100000709892 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.3 CC(C)SCCC(=O)CC#N 1458a_100051588842_100000730970 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,0,0,0,0,0|3,0,0]=3 93 B10R0.3 CC(CCO)OCC[C@@H](C)N 34a_100000706166_100009893172 [0,0,0,0,0,0|3,0,1]=4 94 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,0,0,0,0,0|3,0,1]=4 95 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,0,0,0,0,0|3,0,0]=3 96 B10R0.3 CC(O)CCNC(=O)CC#N 240690a_200000755665_100051588842 [0,0,0,0,0,0|3,0,1]=4 97 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,0,0,0,0,0|3,0,0]=3 98 B10R0.3 CC(O)CCOC(C)CCBr 34a_100012276601_100012276601 [0,0,0,0,0,0|3,0,1]=4 99 B10R0.3 CC(O)CNNC(=O)CCO 22a_200000730056_100011216618 [0,0,0,0,0,0|4,0,0]=4 100 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,0,0,0,0,0|1,0,2]=3 101 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,0,0,0,0,0|2,0,2]=4 102 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,0,0,0,0,0|2,0,2]=4 103 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,0,0,0,0,0|2,0,2]=4 104 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,0,0,0,0,0|2,0,2]=4 105 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [0,0,0,0,0,0|1,0,2]=3 106 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [0,0,0,0,0,0|1,0,2]=3 107 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [0,0,0,0,0,0|1,0,2]=3 108 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [0,0,0,0,0,0|2,0,2]=4 109 B10R0.3 CC=CC(=O)NCCN(C)C 240690a_100000210585_100000210699 [0,0,0,0,0,0|2,0,2]=4 110 B10R0.3 CC=CC(=O)NNCC(C)C 22a_100000696102_100000210699 [0,0,0,0,0,0|2,0,2]=4 111 B10R0.3 CCCC(=NNCC(C)O)C 4a_200000730056_100000211909 [0,0,0,0,0,0|4,0,0]=4 112 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,0,0,0,0,0|1,0,2]=3 113 B10R0.3 CCCC(=O)C=CCN(C)C 1458a_100000754359_100000210303 [0,0,0,0,0,0|2,0,1]=3 114 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,0,0,0,0,0|1,0,2]=3 115 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,0,0,0,0,0|2,0,1]=3 116 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,0,0,0,0,0|3,0,1]=4 117 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,0,0,0,0,0|1,0,0]=1 118 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,0,0,0,0,0|1,0,0]=1 119 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,0,0,0,0,0|2,0,0]=2 120 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,0,0,0,0,0|2,0,0]=2 121 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,0,0,0,0,0|4,0,0]=4 122 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,0,0,0,0,0|3,0,1]=4 123 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,0,0,0,0,0|3,0,1]=4 124 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,0,0,0,0,0|3,0,1]=4 125 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,0,0,0,0,0|2,0,0]=2 126 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,0,0,0,0,0|3,0,1]=4 127 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,0,0,0,0,0|2,0,0]=2 128 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,0,0,0,0,0|2,0,0]=2 129 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,0,0,0,0,0|3,0,0]=3 130 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,0,0,0,0,0|2,0,0]=2 131 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,0,0,0,0,0|2,0,0]=2 132 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,0,0,0,0,0|2,0,0]=2 133 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,0,0,0,0,0|3,0,0]=3 134 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,0,0,0,0,0|3,0,0]=3 135 B10R0.3 CCCC(=O)CSCC(F)F 62a_100000747444_100011934356 [0,0,0,0,0,0|4,0,0]=4 136 B10R0.3 CCCC(=O)CSCC(F)F 62a_100011934356_100000747444 [0,0,0,0,0,0|4,0,0]=4 137 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,0,0,0,0,0|3,0,0]=3 138 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,0,0,0,0,0|3,0,0]=3 139 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,0,0,0,0,0|1,0,2]=3 140 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,0,0,0,0,0|1,0,2]=3 141 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,0,0,0,0,0|1,0,2]=3 142 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,0,0,0,0,0|3,0,1]=4 143 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,0,0,0,0,0|3,0,1]=4 144 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,0,0,0,0,0|3,0,1]=4 145 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,0,0,0,0,0|1,0,0]=1 146 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,0,0,0,0,0|1,0,0]=1 147 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,0,0,0,0,0|1,0,0]=1 148 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,0,0,0,0,0|1,0,0]=1 149 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,0,0,0,0,0|2,0,0]=2 150 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,0,0,0,0,0|2,0,0]=2 151 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [0,0,0,0,0,0|2,0,0]=2 152 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [0,0,0,0,0,0|2,0,0]=2 153 B10R0.3 CCCC(=O)NN=CC(C)C 4a_100000189770_100000210432 [0,0,0,0,0,0|2,0,1]=3 154 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [0,0,0,0,0,0|2,0,0]=2 155 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [0,0,0,0,0,0|3,0,0]=3 156 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [0,0,0,0,0,0|1,0,0]=1 157 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [0,0,0,0,0,0|1,0,0]=1 158 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [0,0,0,0,0,0|1,0,0]=1 159 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [0,0,0,0,0,0|1,0,0]=1 160 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,0,0,0,0,0|3,0,1]=4 161 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,0,0,0,0,0|3,0,1]=4 162 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [0,0,0,0,0,0|3,0,1]=4 163 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [0,0,0,0,0,0|3,0,1]=4 164 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [0,0,0,0,0,0|3,0,1]=4 165 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [0,0,0,0,0,0|3,0,1]=4 166 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [0,0,0,0,0,0|3,0,1]=4 167 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [0,0,0,0,0,0|3,0,1]=4 168 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [0,0,0,0,0,0|3,0,1]=4 169 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [0,0,0,0,0,0|3,0,1]=4 170 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [0,0,0,0,0,0|2,0,1]=3 171 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [0,0,0,0,0,0|2,0,1]=3 172 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [0,0,0,0,0,0|2,0,1]=3 173 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [0,0,0,0,0,0|3,0,1]=4 174 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [0,0,0,0,0,0|3,0,1]=4 175 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [0,0,0,0,0,0|3,0,1]=4 176 B10R0.3 CCCC(C)NCCN(C)C 270004a_100000210585_100000211909 [0,0,0,0,0,0|3,0,1]=4 177 B10R0.3 CCCC(C)NCOC(C)C 2230a_100000741246_100000709892 [0,0,0,0,0,0|3,0,1]=4 178 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [0,0,0,0,0,0|1,0,3]=4 179 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [0,0,0,0,0,0|1,0,3]=4 180 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [0,0,0,0,0,0|1,0,3]=4 181 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,0,0,0,0,0|2,0,2]=4 182 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,0,0,0,0,0|2,0,2]=4 183 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,0,0,0,0,0|2,0,2]=4 184 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [0,0,0,0,0,0|2,0,1]=3 185 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,0,0,0,0,0|1,0,1]=2 186 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,0,0,0,0,0|1,0,1]=2 187 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,0,0,0,0,0|1,0,1]=2 188 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,0,0,0,0,0|1,0,1]=2 189 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,0,0,0,0,0|2,0,1]=3 190 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,0,0,0,0,0|2,0,1]=3 191 B10R0.3 CCCC(C)OCCC(F)F 34a_100103093639_100000766640 [0,0,0,0,0,0|3,0,1]=4 192 B10R0.3 CCCC(C)OCCN(C)C 7a_100000764384_100000755713 [0,0,0,0,0,0|2,0,1]=3 193 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [0,0,0,0,0,0|2,0,1]=3 194 B10R0.3 CCCC(C)OCOC(C)C 34a_100000764384_100000709892 [0,0,0,0,0,0|2,0,1]=3 195 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [0,0,0,0,0,0|1,1,1]=3 196 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [0,0,0,0,0,0|1,1,1]=3 197 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [0,0,0,0,0,0|2,1,1]=4 198 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [0,0,0,0,0,0|2,1,1]=4 199 B10R0.3 CCCC(C)SCCN(C)C 62a_100000766640_100000755713 [0,0,0,0,0,0|2,1,1]=4 200 B10R0.3 CCCC(C)SCOC(C)C 62a_100000709892_100000766640 [0,0,0,0,0,0|2,1,1]=4 201 B10R0.3 CCCC(C)SCOC(C)C 62a_100000766640_100000709892 [0,0,0,0,0,0|2,1,1]=4 202 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,0,0,0,0,0|3,0,0]=3 203 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,0,0,0,0,0|3,0,0]=3 204 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,0,0,0,0,0|4,0,0]=4 205 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,0,0,0,0,0|4,0,0]=4 206 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000225831_100000210303 [0,0,0,0,0,0|4,0,0]=4 207 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000717312_200000210301 [0,0,0,0,0,0|4,0,0]=4 208 B10R0.3 CCCN(C)CCCN(C)C 269982a_100000747261_100000757444 [0,0,0,0,0,0|4,0,0]=4 209 B10R0.3 CCCN(C)CCOC(C)C 2230a_100000747261_100000211751 [0,0,0,0,0,0|4,0,0]=4 210 B10R0.3 CCCN(C)CCOC(C)C 269982a_100000747261_100000211751 [0,0,0,0,0,0|4,0,0]=4 211 B10R0.3 CCCN(C)CCSC(C)C 2230a_100000747261_100000730970 [0,0,0,0,0,0|4,0,0]=4 212 B10R0.3 CCCN(C)CCSC(C)C 269982a_100000747261_100000730970 [0,0,0,0,0,0|4,0,0]=4 213 B10R0.3 CCCN([13CH3])CCCN(C)C 269982a_100000717312_200025704644 [0,0,0,0,0,0|4,0,0]=4 214 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [0,0,0,0,0,0|3,0,1]=4 215 B10R0.3 CCC[C@H](N)COCC(C)C 34a_100000732646_100000210624 [0,0,0,0,0,0|3,0,1]=4 216 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [0,0,0,0,0,0|2,0,2]=4 217 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [0,0,0,0,0,0|2,0,2]=4 218 B10R0.3 CCNC(=O)C=CCN(C)C 240690a_100015525214_100000754359 [0,0,0,0,0,0|3,0,1]=4 219 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,0,0,0,0,0|3,0,1]=4 220 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,0,0,0,0,0|3,0,1]=4 221 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,0,0,0,0,0|2,0,0]=2 222 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,0,0,0,0,0|2,0,0]=2 223 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,0,0,0,0,0|2,0,0]=2 224 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,0,0,0,0,0|3,0,0]=3 225 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,0,0,0,0,0|3,0,0]=3 226 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,0,0,0,0,0|3,0,0]=3 227 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,0,0,0,0,0|3,0,0]=3 228 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,0,0,0,0,0|3,0,0]=3 229 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,0,0,0,0,0|3,0,0]=3 230 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,0,0,0,0,0|3,0,0]=3 231 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,0,0,0,0,0|3,0,0]=3 232 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,0,0,0,0,0|3,0,0]=3 233 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,0,0,0,0,0|3,0,0]=3 234 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,0,0,0,0,0|3,0,0]=3 235 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,0,0,0,0,0|4,0,0]=4 236 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,0,0,0,0,0|4,0,0]=4 237 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,0,0,0,0,0|4,0,0]=4 238 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,0,0,0,0,0|4,0,0]=4 239 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,0,0,0,0,0|4,0,0]=4 240 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,0,0,0,0,0|3,0,0]=3 241 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,0,0,0,0,0|3,0,0]=3 242 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,0,0,0,0,0|3,0,0]=3 243 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,0,0,0,0,0|3,0,0]=3 244 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,0,0,0,0,0|4,0,0]=4 245 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,0,0,0,0,0|4,0,0]=4 246 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,0,0,0,0,0|4,0,0]=4 247 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,0,0,0,0,0|3,0,0]=3 248 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,0,0,0,0,0|3,0,0]=3 249 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,0,0,0,0,0|4,0,0]=4 250 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,0,0,0,0,0|4,0,0]=4 251 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,0,0,0,0,0|4,0,0]=4 252 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,0,0,0,0,0|4,0,0]=4 253 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100000718196_100015525214 [0,0,0,0,0,0|2,0,2]=4 254 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100015525214_100000718196 [0,0,0,0,0,0|2,0,2]=4 255 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100000718196_100015525214 [0,0,0,0,0,0|2,0,2]=4 256 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100015525214_100000718196 [0,0,0,0,0,0|2,0,2]=4 257 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100000718196_100015525214 [0,0,0,0,0,0|2,0,2]=4 258 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100015525214_100000718196 [0,0,0,0,0,0|2,0,2]=4 259 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,0,0,0,0,0|2,0,0]=2 260 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,0,0,0,0,0|2,0,0]=2 261 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,0,0,0,0,0|2,0,0]=2 262 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,0,0,0,0,0|2,0,0]=2 263 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,0,0,0,0,0|2,0,0]=2 264 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,0,0,0,0,0|2,0,0]=2 265 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,0,0,0,0,0|3,0,0]=3 266 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,0,0,0,0,0|3,0,0]=3 267 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,0,0,0,0,0|3,0,0]=3 268 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,0,0,0,0,0|3,0,0]=3 269 B10R0.3 CCNC(=O)NCCN(C)C 2708a_100015525214_100000210585 [0,0,0,0,0,0|3,0,0]=3 270 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100000210585_100015525214 [0,0,0,0,0,0|3,0,0]=3 271 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100015525214_100000210585 [0,0,0,0,0,0|3,0,0]=3 272 B10R0.3 CCNC(=O)NCCN(C)C 512a_100015525214_100000210585 [0,0,0,0,0,0|3,0,0]=3 273 B10R0.3 CCNC(=O)NNCC(C)C 273464a_100015525214_100000696102 [0,0,0,0,0,0|3,0,0]=3 274 B10R0.3 CCNC(=O)NNCC(C)C 512a_100000696102_100015525214 [0,0,0,0,0,0|3,0,0]=3 275 B10R0.3 CCNC(=O)NNCC(C)C 512a_100015525214_100000696102 [0,0,0,0,0,0|3,0,0]=3 276 B10R0.3 CCNC(=O)NNCC(C)O 512a_100015525214_200000730056 [0,0,0,0,0,0|4,0,0]=4 277 B10R0.3 CCNC(=O)NNCC(C)O 512a_200000730056_100015525214 [0,0,0,0,0,0|4,0,0]=4 278 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,0,0,0,0,0|3,0,1]=4 279 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,0,0,0,0,0|3,0,1]=4 280 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,0,0,0,0,0|3,0,1]=4 281 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,0,0,0,0,0|3,0,1]=4 282 B10R0.3 CCOC(=O)C=NNC(C)C 4a_100000741168_100000742314 [0,0,0,0,0,0|4,0,0]=4 283 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,0,0,0,0,0|3,0,1]=4 284 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,0,0,0,0,0|3,0,1]=4 285 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,0,0,0,0,0|3,0,1]=4 286 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,0,0,0,0,0|3,0,0]=3 287 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,0,0,0,0,0|3,0,0]=3 288 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,0,0,0,0,0|3,0,0]=3 289 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,0,0,0,0,0|3,0,0]=3 290 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,0,0,0,0,0|3,0,0]=3 291 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,0,0,0,0,0|3,0,0]=3 292 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,0,0,0,0,0|3,0,0]=3 293 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,0,0,0,0,0|3,0,0]=3 294 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,0,0,0,0,0|3,0,0]=3 295 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,0,0,0,0,0|4,0,0]=4 296 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,0,0,0,0,0|4,0,0]=4 297 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,0,0,0,0,0|4,0,0]=4 298 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,0,0,0,0,0|3,0,0]=3 299 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,0,0,0,0,0|4,0,0]=4 300 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,0,0,0,0,0|4,0,0]=4 301 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,0,0,0,0,0|4,0,0]=4 302 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,0,0,0,0,0|3,0,0]=3 303 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,0,0,0,0,0|3,0,0]=3 304 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,0,0,0,0,0|4,0,0]=4 305 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,0,0,0,0,0|4,0,0]=4 306 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,0,0,0,0,0|4,0,0]=4 307 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,0,0,0,0,0|4,0,0]=4 308 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,0,0,0,0,0|3,0,1]=4 309 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,0,0,0,0,0|3,0,0]=3 310 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,0,0,0,0,0|2,0,0]=2 311 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,0,0,0,0,0|3,0,1]=4 312 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,0,0,0,0,0|3,0,1]=4 313 B10R0.3 CN(C)CC=CC(=O)CCF 1458a_100000754359_100011217306 [0,0,0,0,0,0|3,0,1]=4 314 B10R0.3 CN(C)CC=CC(=O)CCO 1458a_100000754359_100000211926 [0,0,0,0,0,0|3,0,1]=4 315 B10R0.3 CN(C)CCCC(=O)CC#N 1458a_100051588842_100000695564 [0,0,0,0,0,0|3,0,1]=4 316 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,0,0,0,0,0|3,0,0]=3 317 B10R0.3 CN(C)CCNC(=O)CC#N 240690a_100000210585_100051588842 [0,0,0,0,0,0|3,0,1]=4 318 B10R0.3 CN(C)CCNC(=O)CCO 240690a_100000210585_100011216618 [0,0,0,0,0,0|3,0,0]=3 319 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,0,0,0,0,0|3,0,0]=3 320 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,0,0,0,0,0|4,0,0]=4 321 B10R0.3 CNNC(=O)CCCN(C)C 22a_100016993582_100000740757 [0,0,0,0,0,0|4,0,0]=4 322 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [0,0,0,0,0,0|4,0,0]=4 323 B10R0.3 CNNC(=O)NCCC(C)C 273464a_100000210545_100016993582 [0,0,0,0,0,0|3,0,0]=3 324 B10R0.3 CNNC(=O)NCCC(C)C 512a_100000210545_100016993582 [0,0,0,0,0,0|3,0,0]=3 325 B10R0.3 CNNC(=O)NCCC(C)C 512a_100016993582_100000210545 [0,0,0,0,0,0|3,0,0]=3 326 B10R0.3 CNNC(=O)NCCC(C)O 273464a_200000755665_100016993582 [0,0,0,0,0,0|4,0,0]=4 327 B10R0.3 CNNC(=O)NCCC(C)O 512a_100016993582_200000755665 [0,0,0,0,0,0|4,0,0]=4 328 B10R0.3 CNNC(=O)NCCC(C)O 512a_200000755665_100016993582 [0,0,0,0,0,0|4,0,0]=4 329 B10R0.3 CNNC(=O)NCCN(C)C 273464a_100000210585_100016993582 [0,0,0,0,0,0|4,0,0]=4 330 B10R0.3 CNNC(=O)NCCN(C)C 512a_100016993582_100000210585 [0,0,0,0,0,0|4,0,0]=4 331 B10R0.3 CNNC(=O)NNCC(C)C 512a_100000696102_100016993582 [0,0,0,0,0,0|4,0,0]=4 332 B10R0.3 CNNC(=O)NNCC(C)C 512a_100016993582_100000696102 [0,0,0,0,0,0|4,0,0]=4 333 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,0,0,0,0,0|2,0,2]=4 334 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,0,0,0,0,0|3,0,1]=4 335 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,0,0,0,0,0|2,0,0]=2 336 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,0,0,0,0,0|3,0,0]=3 337 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,0,0,0,0,0|3,0,0]=3 338 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,0,0,0,0,0|3,0,0]=3 339 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,0,0,0,0,0|3,0,0]=3 340 B10R0.3 COCC(=O)NCC=C(C)C 11a_100000718196_100000210968 [0,0,0,0,0,0|2,0,2]=4 341 B10R0.3 COCC(=O)NCC=C(C)C 1626a_100000718196_100000210968 [0,0,0,0,0,0|2,0,2]=4 342 B10R0.3 COCC(=O)NCC=C(C)C 527a_100000718196_100000210968 [0,0,0,0,0,0|2,0,2]=4 343 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,0,0,0,0,0|2,0,0]=2 344 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,0,0,0,0,0|2,0,0]=2 345 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,0,0,0,0,0|2,0,0]=2 346 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,0,0,0,0,0|2,0,0]=2 347 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,0,0,0,0,0|3,0,0]=3 348 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,0,0,0,0,0|3,0,0]=3 349 B10R0.3 COCC(=O)NCCN(C)C 240690a_100000210585_100000210968 [0,0,0,0,0,0|3,0,0]=3 350 B10R0.3 COCC(=O)NCCN(C)C 527a_100000210585_100000210968 [0,0,0,0,0,0|3,0,0]=3 351 B10R0.3 COCC(=O)NN=CC(C)C 4a_100000216845_100000210432 [0,0,0,0,0,0|3,0,1]=4 352 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [0,0,0,0,0,0|3,0,0]=3 353 B10R0.3 COCC(=O)NNCC(C)O 22a_200000730056_100000210968 [0,0,0,0,0,0|4,0,0]=4 354 B10R0.3 COCC(C)NCCC(C)C 270004a_100000210545_100000749346 [0,0,0,0,0,0|3,0,1]=4 355 B10R0.3 COCC(C)OCCC(C)Br 34a_100009893172_100000765312 [0,0,0,0,0,0|3,0,1]=4 356 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [0,0,0,0,0,0|2,0,1]=3 357 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [0,0,0,0,0,0|2,0,1]=3 358 B10R0.3 COCC(C)OCC[C@@H](C)N 34a_100000706166_100000765312 [0,0,0,0,0,0|3,0,1]=4 359 B10R0.3 COCC(C)SCCC(C)C 62a_100000210312_100000765312 [0,0,0,0,0,0|2,1,1]=4 360 B10R0.3 COCC(C)SCCC(C)C 62a_100000765312_100000210312 [0,0,0,0,0,0|2,1,1]=4 361 B10R0.3 COC[C@@H](C)NCCC(C)C 2230a_100000764878_100000210312 [0,0,0,0,0,0|3,0,1]=4 362 B10R0.3 COC[C@@H](C)NCCC(C)C 269862a_100000764878_100000185833 [0,0,0,0,0,0|3,0,1]=4 363 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [0,0,0,0,0,0|2,0,1]=3 364 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [0,0,0,0,0,0|3,0,1]=4 365 B10R0.3 COC[C@@H](C)OCOC(C)C 34a_100011934205_100000709892 [0,0,0,0,0,0|3,0,1]=4 366 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,0,0,0,0,0|2,0,2]=4 367 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,0,0,0,0,0|3,0,1]=4 368 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,0,0,0,0,0|2,0,0]=2 369 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,0,0,0,0,0|3,0,0]=3 370 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,0,0,0,0,0|3,0,0]=3 371 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,0,0,0,0,0|3,0,0]=3 372 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,0,0,0,0,0|3,0,0]=3 373 B10R0.3 CSCC(=O)NCC=C(C)C 11a_100000718196_100000184570 [0,0,0,0,0,0|2,0,2]=4 374 B10R0.3 CSCC(=O)NCC=C(C)C 1626a_100000718196_100000184570 [0,0,0,0,0,0|2,0,2]=4 375 B10R0.3 CSCC(=O)NCC=C(C)C 527a_100000718196_100000184570 [0,0,0,0,0,0|2,0,2]=4 376 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [0,0,0,0,0,0|2,0,0]=2 377 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [0,0,0,0,0,0|2,0,0]=2 378 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [0,0,0,0,0,0|2,0,0]=2 379 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [0,0,0,0,0,0|2,0,0]=2 380 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,0,0,0,0,0|3,0,0]=3 381 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,0,0,0,0,0|3,0,0]=3 382 B10R0.3 CSCC(=O)NCCN(C)C 240690a_100000210585_100000184570 [0,0,0,0,0,0|3,0,0]=3 383 B10R0.3 CSCC(=O)NCCN(C)C 527a_100000210585_100000184570 [0,0,0,0,0,0|3,0,0]=3 384 B10R0.3 CSCC(=O)NNCC(C)C 22a_100000696102_100000184570 [0,0,0,0,0,0|3,0,0]=3 385 B10R0.3 CSCC(=O)NNCC(C)O 22a_200000730056_100000184570 [0,0,0,0,0,0|4,0,0]=4 386 B10R0.3 CSCC(C)NCCC(C)C 270004a_100000210545_100011216314 [0,0,0,0,0,0|3,0,1]=4 387 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [1,0,0,0,0,0|1,0,2]=4 388 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [1,0,0,0,0,0|1,0,2]=4 389 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [1,0,0,0,0,0|1,0,2]=4 390 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [1,0,0,0,0,0|1,0,2]=4 391 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [1,0,0,0,0,0|1,0,2]=4 392 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [1,0,0,0,0,0|1,0,2]=4 393 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [1,0,0,0,0,0|2,0,0]=3 394 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [1,0,0,0,0,0|2,0,0]=3 395 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [1,0,0,0,0,0|2,0,0]=3 396 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [1,0,0,0,0,0|2,0,0]=3 397 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [1,0,0,0,0,0|2,0,1]=4 398 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [1,0,0,0,0,0|2,0,1]=4 399 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [1,0,0,0,0,0|2,0,1]=4 400 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [1,0,0,0,0,0|2,0,1]=4 401 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [1,0,0,0,0,0|2,0,1]=4 402 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [1,0,0,0,0,0|3,0,0]=4 403 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [1,0,0,0,0,0|3,0,0]=4 404 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [1,0,0,0,0,0|3,0,0]=4 405 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [1,0,0,0,0,0|3,0,0]=4 406 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,0,0,0,0,0|3,0,0]=4 407 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [1,0,0,0,0,0|3,0,0]=4 408 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [1,0,0,0,0,0|3,0,0]=4 409 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [1,0,0,0,0,0|1,0,2]=4 410 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [1,0,0,0,0,0|2,0,1]=4 411 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,0,0,0,0,0|1,0,2]=4 412 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,0,0,0,0,0|2,0,1]=4 413 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,0,0,0,0,0|1,0,0]=2 414 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,0,0,0,0,0|1,0,0]=2 415 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [1,0,0,0,0,0|2,0,0]=3 416 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [1,0,0,0,0,0|2,0,0]=3 417 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [1,0,0,0,0,0|2,0,0]=3 418 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [1,0,0,0,0,0|2,0,0]=3 419 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [1,0,0,0,0,0|2,0,0]=3 420 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [1,0,0,0,0,0|2,0,0]=3 421 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [1,0,0,0,0,0|3,0,0]=4 422 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [1,0,0,0,0,0|3,0,0]=4 423 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [1,0,0,0,0,0|2,0,0]=3 424 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [1,0,0,0,0,0|2,0,0]=3 425 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [1,0,0,0,0,0|3,0,0]=4 426 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [1,0,0,0,0,0|3,0,0]=4 427 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [1,0,0,0,0,0|3,0,0]=4 428 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [1,0,0,0,0,0|3,0,0]=4 429 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [1,0,0,0,0,0|1,0,2]=4 430 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [1,0,0,0,0,0|1,0,2]=4 431 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [1,0,0,0,0,0|1,0,2]=4 432 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [1,0,0,0,0,0|1,0,0]=2 433 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [1,0,0,0,0,0|1,0,0]=2 434 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [1,0,0,0,0,0|1,0,0]=2 435 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [1,0,0,0,0,0|1,0,0]=2 436 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [1,0,0,0,0,0|2,0,0]=3 437 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [1,0,0,0,0,0|2,0,0]=3 438 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [1,0,0,0,0,0|2,0,0]=3 439 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [1,0,0,0,0,0|2,0,0]=3 440 B9R0.1 CCC(=O)NN=CC(C)C 4a_100000183195_100000210432 [1,0,0,0,0,0|2,0,1]=4 441 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [1,0,0,0,0,0|2,0,0]=3 442 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [1,0,0,0,0,0|3,0,0]=4 443 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [1,0,0,0,0,0|2,0,1]=4 444 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [1,0,0,0,0,0|2,0,1]=4 445 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [1,0,0,0,0,0|2,0,1]=4 446 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [1,0,0,0,0,0|1,0,1]=3 447 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [1,0,0,0,0,0|1,0,1]=3 448 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [1,0,0,0,0,0|1,0,1]=3 449 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [1,0,0,0,0,0|2,0,1]=4 450 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [1,0,0,0,0,0|2,0,1]=4 451 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [1,0,0,0,0,0|2,0,1]=4 452 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [1,0,0,0,0,0|1,1,1]=4 453 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [1,0,0,0,0,0|1,1,1]=4 454 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [1,0,0,0,0,0|3,0,0]=4 455 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [1,0,0,0,0,0|3,0,0]=4 456 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [1,0,0,0,0,0|3,0,0]=4 457 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [1,0,0,0,0,0|3,0,0]=4 458 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [1,0,0,0,0,0|3,0,0]=4 459 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [1,0,0,0,0,0|2,0,0]=3 460 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [1,0,0,0,0,0|2,0,0]=3 461 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [1,0,0,0,0,0|2,0,0]=3 462 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [1,0,0,0,0,0|2,0,0]=3 463 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [1,0,0,0,0,0|3,0,0]=4 464 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [1,0,0,0,0,0|3,0,0]=4 465 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [1,0,0,0,0,0|3,0,0]=4 466 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [1,0,0,0,0,0|3,0,0]=4 467 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [1,0,0,0,0,0|3,0,0]=4 468 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [1,0,0,0,0,0|3,0,0]=4 469 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [1,0,0,0,0,0|3,0,0]=4 470 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [1,0,0,0,0,0|3,0,0]=4 471 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [1,0,0,0,0,0|3,0,0]=4 472 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [1,0,0,0,0,0|3,0,0]=4 473 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [1,0,0,0,0,0|3,0,0]=4 474 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [1,0,0,0,0,0|3,0,0]=4 475 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [1,0,0,0,0,0|3,0,0]=4 476 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [1,0,0,0,0,0|3,0,0]=4 477 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [1,0,0,0,0,0|3,0,0]=4 478 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [1,0,0,0,0,0|3,0,0]=4 479 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [1,0,0,0,0,0|3,0,0]=4 480 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [1,0,0,0,0,0|3,0,0]=4 481 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [1,0,0,0,0,0|3,0,0]=4 482 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [1,0,0,0,0,0|3,0,0]=4 483 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [1,0,0,0,0,0|3,0,0]=4 484 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [1,0,0,0,0,0|3,0,0]=4 485 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [1,0,0,0,0,0|3,0,0]=4 486 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [1,0,0,0,0,0|3,0,0]=4 487 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [1,0,0,0,0,0|3,0,0]=4 488 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [1,0,0,0,0,0|3,0,0]=4 489 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [1,0,0,0,0,0|2,0,0]=3 490 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [1,0,0,0,0,0|2,0,0]=3 491 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [1,0,0,0,0,0|2,0,0]=3 492 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [1,0,0,0,0,0|2,0,0]=3 493 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [1,0,0,0,0,0|2,0,0]=3 494 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [1,0,0,0,0,0|2,0,0]=3 495 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [1,0,0,0,0,0|3,0,0]=4 496 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [1,0,0,0,0,0|3,0,0]=4 497 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [1,0,0,0,0,0|3,0,0]=4 498 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [1,0,0,0,0,0|3,0,0]=4 499 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [1,0,0,0,0,0|3,0,0]=4 500 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [1,0,0,0,0,0|3,0,0]=4 501 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [1,0,0,0,0,0|3,0,0]=4 502 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [1,0,0,0,0,0|3,0,0]=4 503 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [1,0,0,0,0,0|3,0,0]=4 504 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [1,0,0,0,0,0|3,0,0]=4 505 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [1,0,0,0,0,0|3,0,0]=4 506 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [1,0,0,0,0,0|2,0,1]=4 507 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [1,0,0,0,0,0|2,0,0]=3 508 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [1,0,0,0,0,0|3,0,0]=4 509 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [1,0,0,0,0,0|3,0,0]=4 510 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [1,0,0,0,0,0|3,0,0]=4 511 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [1,0,0,0,0,0|3,0,0]=4 512 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [1,0,0,0,0,0|3,0,0]=4 513 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [1,0,0,0,0,0|3,0,0]=4 514 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [1,0,0,0,0,0|3,0,0]=4 515 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [1,0,0,0,0,0|3,0,0]=4 516 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [1,0,0,0,0,0|3,0,0]=4 517 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [1,0,0,0,0,0|3,0,0]=4 518 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [1,0,0,0,0,0|3,0,0]=4 519 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [1,0,0,0,0,0|3,0,0]=4 520 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [1,0,0,0,0,0|3,0,0]=4 521 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [1,0,0,0,0,0|3,0,0]=4 522 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [1,0,0,0,0,0|2,0,0]=3 523 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [1,0,0,0,0,0|0,0,3]=4 524 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [1,0,0,0,0,0|0,0,3]=4 525 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [1,0,0,0,0,0|0,0,3]=4 526 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [1,0,0,0,0,0|0,0,3]=4 527 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [1,0,0,0,0,0|0,0,3]=4 528 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [1,0,0,0,0,0|0,0,3]=4 529 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|0,0,3]=4 530 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|0,0,3]=4 531 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|0,0,3]=4 532 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [1,0,0,0,0,0|0,0,3]=4 533 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [1,0,0,0,0,0|0,0,3]=4 534 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [1,0,0,0,0,0|0,0,3]=4 535 B9R0.2 CC#CCOCCC(C)C 34a_100000210254_100000748600 [1,0,0,0,0,0|0,0,3]=4 536 B9R0.2 CC#CCOCCC(C)C 34a_100000761923_100000210312 [1,0,0,0,0,0|0,0,3]=4 537 B9R0.2 CC#CCOCCC(C)C 7a_100000210254_100000748600 [1,0,0,0,0,0|0,0,3]=4 538 B9R0.2 CC(Br)CCOCCCF 34a_100009893172_100011934791 [1,0,0,0,0,0|2,0,1]=4 539 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [1,0,0,0,0,0|2,0,1]=4 540 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 541 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 542 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 543 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 544 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,0,0,0,0,0|2,0,1]=4 545 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,0,0,0,0,0|2,0,1]=4 546 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [1,0,0,0,0,0|3,0,0]=4 547 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [1,0,0,0,0,0|3,0,0]=4 548 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [1,0,0,0,0,0|3,0,0]=4 549 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,0,0,0,0,0|3,0,0]=4 550 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,0,0,0,0,0|3,0,0]=4 551 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,0,0,0,0,0|3,0,0]=4 552 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,0,0,0,0,0|3,0,0]=4 553 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [1,0,0,0,0,0|3,0,0]=4 554 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [1,0,0,0,0,0|3,0,0]=4 555 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [1,0,0,0,0,0|3,0,0]=4 556 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,0,0,0,0,0|3,0,0]=4 557 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,0,0,0,0,0|3,0,0]=4 558 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,0,0,0,0,0|3,0,0]=4 559 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [1,0,0,0,0,0|3,0,0]=4 560 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [1,0,0,0,0,0|3,0,0]=4 561 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,0,0,0,0,0|3,0,0]=4 562 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,0,0,0,0,0|3,0,0]=4 563 B9R0.2 CC(C)CCNCCCF 2230a_100015189416_100000210312 [1,0,0,0,0,0|2,0,1]=4 564 B9R0.2 CC(C)CCNCCCF 269862a_100015189416_100000185833 [1,0,0,0,0,0|2,0,1]=4 565 B9R0.2 CC(C)CCNCCCF 34a_100015189416_100000210312 [1,0,0,0,0,0|2,0,1]=4 566 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,0,0,0,0,0|2,0,1]=4 567 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [1,0,0,0,0,0|1,0,2]=4 568 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [1,0,0,0,0,0|1,0,1]=3 569 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [1,0,0,0,0,0|1,0,1]=3 570 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [1,0,0,0,0,0|1,0,1]=3 571 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [1,0,0,0,0,0|1,0,1]=3 572 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [1,0,0,0,0,0|1,0,1]=3 573 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [1,0,0,0,0,0|1,0,1]=3 574 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,0,0,0,0,0|1,0,1]=3 575 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,0,0,0,0,0|1,0,1]=3 576 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [1,0,0,0,0,0|2,0,1]=4 577 B9R0.2 CC(C)CCSCCCF 62a_100000210312_100011934791 [1,0,0,0,0,0|1,1,1]=4 578 B9R0.2 CC(C)CCSCCCF 62a_100011934791_100000210312 [1,0,0,0,0,0|1,1,1]=4 579 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,0,0,0,0,0|1,1,1]=4 580 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,0,0,0,0,0|1,1,1]=4 581 B9R0.2 CC(C)OCOCCCBr 34a_100011217188_100000709892 [1,0,0,0,0,0|2,0,1]=4 582 B9R0.2 CC(C)OCOCCCCl 34a_100000230001_100000709892 [1,0,0,0,0,0|2,0,1]=4 583 B9R0.2 CC(C)OCOCCCF 34a_100000759539_100000709892 [1,0,0,0,0,0|2,0,1]=4 584 B9R0.2 CC(C)OCOCCCN 34a_100000182051_100000709892 [1,0,0,0,0,0|2,0,1]=4 585 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [1,0,0,0,0,0|2,0,1]=4 586 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [1,0,0,0,0,0|2,0,1]=4 587 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [1,0,0,0,0,0|2,0,1]=4 588 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,0,0,0,0,0|2,0,1]=4 589 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [1,0,0,0,0,0|2,0,1]=4 590 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [1,0,0,0,0,0|2,0,1]=4 591 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [1,0,0,0,0,0|2,0,1]=4 592 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [1,0,0,0,0,0|2,0,1]=4 593 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [1,0,0,0,0,0|2,0,1]=4 594 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [1,0,0,0,0,0|2,0,1]=4 595 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [1,0,0,0,0,0|2,0,1]=4 596 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [1,0,0,0,0,0|2,0,1]=4 597 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [1,0,0,0,0,0|2,0,1]=4 598 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [1,0,0,0,0,0|2,0,1]=4 599 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [1,0,0,0,0,0|2,0,1]=4 600 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [1,0,0,0,0,0|2,0,1]=4 601 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [1,0,0,0,0,0|2,0,1]=4 602 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [1,0,0,0,0,0|0,0,3]=4 603 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [1,0,0,0,0,0|0,0,3]=4 604 B9R0.2 CCC/C=C/COC(C)C 34a_100016278788_100000210206 [1,0,0,0,0,0|2,0,0]=3 605 B9R0.2 CCC/C=C/COC(C)C 7a_100016278788_100000210206 [1,0,0,0,0,0|2,0,0]=3 606 B9R0.2 CCCC#CCOC(C)C 34a_100000034806_100000210206 [1,0,0,0,0,0|2,0,1]=4 607 B9R0.2 CCCC#CCOC(C)C 7a_100000034806_100000210206 [1,0,0,0,0,0|2,0,1]=4 608 B9R0.2 CCCC=NNCC(C)O 4a_200000730056_100000185831 [1,0,0,0,0,0|3,0,0]=4 609 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 610 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 611 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 612 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 613 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 614 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 615 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|2,0,1]=4 616 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 617 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 618 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 619 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|2,0,1]=4 620 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 621 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|2,0,1]=4 622 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|2,0,1]=4 623 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,0,0,0,0,0|2,0,1]=4 624 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,0,0,0,0,0|2,0,1]=4 625 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,0,0,0,0,0|2,0,1]=4 626 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,0,0,0,0,0|2,0,1]=4 627 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,0,0,0,0,0|2,0,1]=4 628 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,0,0,0,0,0|2,0,1]=4 629 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,0,0,0,0,0|2,0,1]=4 630 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,0,0,0,0,0|2,0,1]=4 631 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,0,0,0,0,0|2,0,1]=4 632 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,0,0,0,0,0|1,0,1]=3 633 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,0,0,0,0,0|1,0,1]=3 634 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,0,0,0,0,0|1,0,1]=3 635 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,0,0,0,0,0|2,0,1]=4 636 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,0,0,0,0,0|2,0,1]=4 637 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,0,0,0,0,0|2,0,1]=4 638 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [1,0,0,0,0,0|2,0,1]=4 639 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [1,0,0,0,0,0|2,0,1]=4 640 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,0,0,0,0,0|0,0,3]=4 641 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,0,0,0,0,0|0,0,3]=4 642 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,0,0,0,0,0|0,0,3]=4 643 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|1,0,2]=4 644 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|1,0,2]=4 645 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|1,0,2]=4 646 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|1,0,2]=4 647 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,0,0,0,0,0|1,0,1]=3 648 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,0,0,0,0,0|0,0,1]=2 649 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,0,0,0,0,0|0,0,1]=2 650 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,0,0,0,0,0|0,0,1]=2 651 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,0,0,0,0,0|0,0,1]=2 652 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,0,0,0,0,0|1,0,1]=3 653 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,0,0,0,0,0|1,0,1]=3 654 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [1,0,0,0,0,0|2,0,1]=4 655 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,0,0,0,0,0|1,0,1]=3 656 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,0,0,0,0,0|1,0,1]=3 657 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,0,0,0,0,0|1,0,1]=3 658 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,0,0,0,0,0|1,0,1]=3 659 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [1,0,0,0,0,0|1,0,1]=3 660 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [1,0,0,0,0,0|1,0,1]=3 661 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,0,0,0,0,0|1,0,1]=3 662 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,0,0,0,0,0|1,0,1]=3 663 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [1,0,0,0,0,0|1,0,1]=3 664 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [1,0,0,0,0,0|1,0,1]=3 665 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,0,0,0,0,0|0,1,1]=3 666 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,0,0,0,0,0|0,1,1]=3 667 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,0,0,0,0,0|1,1,1]=4 668 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,0,0,0,0,0|1,1,1]=4 669 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [1,0,0,0,0,0|1,1,1]=4 670 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [1,0,0,0,0,0|1,1,1]=4 671 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [1,0,0,0,0,0|1,1,1]=4 672 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,0,0,0,0,0|2,0,0]=3 673 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,0,0,0,0,0|2,0,0]=3 674 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,0,0,0,0,0|3,0,0]=4 675 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,0,0,0,0,0|3,0,0]=4 676 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [1,0,0,0,0,0|3,0,0]=4 677 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [1,0,0,0,0,0|3,0,0]=4 678 B9R0.2 CCCNN=CCC(C)C 4a_100000740057_100000185833 [1,0,0,0,0,0|2,0,1]=4 679 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,0,0,0,0,0|2,0,0]=3 680 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,0,0,0,0,0|2,0,0]=3 681 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,0,0,0,0,0|2,0,0]=3 682 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,0,0,0,0,0|3,0,0]=4 683 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [1,0,0,0,0,0|3,0,0]=4 684 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [1,0,0,0,0,0|3,0,0]=4 685 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [1,0,0,0,0,0|3,0,0]=4 686 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [1,0,0,0,0,0|3,0,0]=4 687 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [1,0,0,0,0,0|3,0,0]=4 688 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,0,0,0,0,0|3,0,0]=4 689 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,0,0,0,0,0|3,0,0]=4 690 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,0,0,0,0,0|3,0,0]=4 691 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,0,0,0,0,0|3,0,0]=4 692 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,0,0,0,0,0|3,0,0]=4 693 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,0,0,0,0,0|3,0,0]=4 694 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [1,0,0,0,0,0|3,0,0]=4 695 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [1,0,0,0,0,0|3,0,0]=4 696 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [1,0,0,0,0,0|3,0,0]=4 697 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [1,0,0,0,0,0|3,0,0]=4 698 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [1,0,0,0,0,0|3,0,0]=4 699 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,0,0,0,0,0|2,0,0]=3 700 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,0,0,0,0,0|2,0,0]=3 701 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,0,0,0,0,0|3,0,0]=4 702 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,0,0,0,0,0|3,0,0]=4 703 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [1,0,0,0,0,0|3,0,0]=4 704 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [1,0,0,0,0,0|3,0,0]=4 705 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,0,0,0,0,0|3,0,0]=4 706 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,0,0,0,0,0|3,0,0]=4 707 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,0,0,0,0,0|3,0,0]=4 708 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,0,0,0,0,0|3,0,0]=4 709 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [1,0,0,0,0,0|3,0,0]=4 710 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [1,0,0,0,0,0|3,0,0]=4 711 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,0,0,0,0,0|2,0,1]=4 712 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 713 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,0,0,0,0,0|2,0,1]=4 714 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 715 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [1,0,0,0,0,0|1,1,1]=4 716 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [1,0,0,0,0,0|1,1,1]=4 717 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,0,0,0,0,0|2,0,1]=4 718 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,0,0,0,0,0|2,0,1]=4 719 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 720 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 721 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 722 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,0,0,0,0,0|2,0,1]=4 723 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 724 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 725 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,0,0,0,0,0|2,0,1]=4 726 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 727 B9R0.2 COCCNCCC(C)C 2230a_100000209980_100000210312 [1,0,0,0,0,0|2,0,1]=4 728 B9R0.2 COCCNCCC(C)C 269862a_100000209980_100000185833 [1,0,0,0,0,0|2,0,1]=4 729 B9R0.2 COCCOCCC(C)Br 34a_100009893172_100011201679 [1,0,0,0,0,0|2,0,1]=4 730 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [1,0,0,0,0,0|1,0,1]=3 731 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [1,0,0,0,0,0|1,0,1]=3 732 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [1,0,0,0,0,0|1,0,1]=3 733 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [1,0,0,0,0,0|2,0,1]=4 734 B9R0.2 COCCOCCN(C)C 2230a_100102631434_100000695917 [1,0,0,0,0,0|2,0,1]=4 735 B9R0.2 COCCOCCN(C)C 269982a_100102631434_100000695917 [1,0,0,0,0,0|2,0,1]=4 736 B9R0.2 COCCOCC[C@@H](C)N 34a_100000706166_100011201679 [1,0,0,0,0,0|2,0,1]=4 737 B9R0.2 COCCOCNC(C)C 2230a_100138425928_100000231047 [1,0,0,0,0,0|2,0,1]=4 738 B9R0.2 COCCOCOC(C)C 34a_100000210237_100000709892 [1,0,0,0,0,0|2,0,1]=4 739 B9R0.2 COCCOCSC(C)C 62a_100000210206_100000231047 [1,0,0,0,0,0|2,0,1]=4 740 B9R0.2 COCCOCSC(C)C 62a_100000231047_100000210206 [1,0,0,0,0,0|2,0,1]=4 741 B9R0.2 COCCSCCC(C)C 62a_100000210312_100000233755 [1,0,0,0,0,0|1,1,1]=4 742 B9R0.2 COCCSCCC(C)C 62a_100000233755_100000210312 [1,0,0,0,0,0|1,1,1]=4 743 B9R0.2 COCNCCCC(C)C 2230a_200000737386_100000766300 [1,0,0,0,0,0|3,0,0]=4 744 B9R0.2 COCSCCCC(C)C 62a_100000766300_100011214892 [1,0,0,0,0,0|3,0,0]=4 745 B9R0.2 COCSCCCC(C)C 62a_100011214892_100000766300 [1,0,0,0,0,0|3,0,0]=4 746 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,0,0,0,0,0|2,0,1]=4 747 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,0,0,0,0,0|2,0,1]=4 748 B9R0.2 CSCCNCCC(C)C 2230a_100020590264_100000210312 [1,0,0,0,0,0|2,0,1]=4 749 B9R0.2 CSCCNCCC(C)C 269862a_100020590264_100000185833 [1,0,0,0,0,0|2,0,1]=4 750 B9R0.2 CSCCOCCC(C)Br 34a_100009893172_100000212216 [1,0,0,0,0,0|2,0,1]=4 751 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [1,0,0,0,0,0|1,0,1]=3 752 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [1,0,0,0,0,0|1,0,1]=3 753 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [1,0,0,0,0,0|1,0,1]=3 754 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [1,0,0,0,0,0|1,0,1]=3 755 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [1,0,0,0,0,0|2,0,1]=4 756 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [1,0,0,0,0,0|2,0,1]=4 757 B9R0.2 CSCCOCCN(C)C 7a_100000230434_100000755713 [1,0,0,0,0,0|2,0,1]=4 758 B9R0.2 CSCCOCC[C@@H](C)N 34a_100000706166_100000212216 [1,0,0,0,0,0|2,0,1]=4 759 B9R0.2 CSCCOCOC(C)C 34a_100000230434_100000709892 [1,0,0,0,0,0|2,0,1]=4 760 B9R0.2 CSCCSCCC(C)C 62a_100000210312_100000751147 [1,0,0,0,0,0|1,1,1]=4 761 B9R0.2 CSCCSCCC(C)C 62a_100000212216_100000210312 [1,0,0,0,0,0|1,1,1]=4 762 B9R0.2 CSCNCCCC(C)C 2230a_200000737386_100011218213 [1,0,0,0,0,0|3,0,0]=4 763 B9R0.2 CSCNCCCC(C)C 34a_200000737386_100011218213 [1,0,0,0,0,0|3,0,0]=4 764 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [1,0,0,0,0,0|3,0,0]=4 765 B9R0.2 CSCSCCCC(C)C 62a_100011214892_100011218213 [1,0,0,0,0,0|3,0,0]=4 766 B9R0.2 CSCSCCCC(C)C 62a_100011218213_100011214892 [1,0,0,0,0,0|3,0,0]=4 767 B9R0.2 C[C@@H](N)CCOCCCF 34a_100000706166_100011934791 [1,0,0,0,0,0|2,0,1]=4 768 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [1,0,0,0,0,0|2,0,1]=4 769 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,0,0,0,0,0|1,0,2]=4 770 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,0,0,0,0,0|1,0,2]=4 771 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [1,0,0,0,0,0|1,0,2]=4 772 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [1,0,0,0,0,0|1,0,2]=4 773 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,0,0,0,0,0|1,0,2]=4 774 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,0,0,0,0,0|1,0,2]=4 775 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 776 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 777 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 778 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 779 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,0,0,0,0,0|1,0,2]=4 780 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,0,0,0,0,0|1,0,2]=4 781 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 782 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 783 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 784 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 785 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,0,0,0,0,0|1,0,2]=4 786 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,0,0,0,0,0|1,0,2]=4 787 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 788 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 789 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 790 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 791 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,0,0,0,0,0|1,0,2]=4 792 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 793 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 794 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 795 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,0,0,0,0,0|1,0,2]=4 796 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,0,0,0,0,0|1,0,2]=4 797 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,0,0,0,0|1,0,2]=4 798 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 799 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 800 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 801 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,0,0,0,0,0|1,0,2]=4 802 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [1,0,0,0,0,0|2,0,1]=4 803 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,0,0,0,0,0|1,0,1]=3 804 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [1,0,0,0,0,0|2,0,1]=4 805 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [1,0,0,0,0,0|2,0,1]=4 806 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,0,0,0,0,0|2,0,1]=4 807 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [1,0,0,0,0,0|2,0,1]=4 808 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [1,0,0,0,0,0|2,0,1]=4 809 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,0,0,0,0,0|2,0,1]=4 810 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,0,0,0,0,0|2,0,1]=4 811 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,0,0,0,0,0|2,0,0]=3 812 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,0,0,0,0,0|2,0,0]=3 813 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,0,0,0,0,0|2,0,0]=3 814 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,0,0,0,0,0|2,0,0]=3 815 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,0,0,0,0,0|2,0,0]=3 816 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,0,0,0,0,0|2,0,0]=3 817 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,0,0,0,0|2,0,0]=3 818 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,0,0,0,0|2,0,0]=3 819 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,0,0,0,0,0|2,0,0]=3 820 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,0,0,0,0,0|2,0,0]=3 821 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,0,0,0,0,0|3,0,0]=4 822 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,0,0,0,0,0|3,0,0]=4 823 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,0,0,0,0,0|3,0,0]=4 824 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,0,0,0,0,0|3,0,0]=4 825 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,0,0,0,0,0|3,0,0]=4 826 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,0,0,0,0,0|3,0,0]=4 827 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,0,0,0,0,0|3,0,0]=4 828 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,0,0,0,0,0|3,0,0]=4 829 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,0,0,0,0,0|3,0,0]=4 830 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,0,0,0,0,0|3,0,0]=4 831 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 832 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 833 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 834 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 835 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 836 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 837 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 838 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 839 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,0,0,0,0,0|2,0,0]=3 840 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,0,0,0,0,0|2,0,0]=3 841 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 842 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 843 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 844 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 845 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 846 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 847 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 848 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [1,0,0,0,0,0|3,0,0]=4 849 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,0,0,0,0,0|1,0,0]=2 850 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,0,0,0,0,0|1,0,0]=2 851 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,0,0,0,0,0|1,0,0]=2 852 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [1,0,0,0,0,0|2,0,0]=3 853 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [1,0,0,0,0,0|2,0,1]=4 854 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [1,0,0,0,0,0|2,0,1]=4 855 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [1,0,0,0,0,0|2,0,1]=4 856 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [1,0,0,0,0,0|2,0,1]=4 857 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [1,0,0,0,0,0|2,0,1]=4 858 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [1,0,0,0,0,0|2,0,1]=4 859 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,0,0,0,0,0|2,0,1]=4 860 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,0,0,0,0,0|2,0,1]=4 861 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [1,0,0,0,0,0|2,0,1]=4 862 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [1,0,0,0,0,0|2,0,1]=4 863 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [1,0,0,0,0,0|2,0,1]=4 864 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [1,0,0,0,0,0|2,0,1]=4 865 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [1,0,0,0,0,0|2,0,1]=4 866 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [1,0,0,0,0,0|2,0,1]=4 867 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [1,0,0,0,0,0|2,0,1]=4 868 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,0,0,0,0,0|1,0,1]=3 869 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [1,0,0,0,0,0|2,0,1]=4 870 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [1,0,0,0,0,0|2,0,1]=4 871 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,0,0,0,0,0|2,0,1]=4 872 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,0,0,0,0,0|2,0,1]=4 873 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,0,0,0,0,0|2,0,1]=4 874 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,0,0,0,0,0|2,0,1]=4 875 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,0,0,0,0|1,0,0]=2 876 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,0,0,0,0|1,0,0]=2 877 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,0,0,0,0,0|2,0,0]=3 878 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,0,0,0,0,0|2,0,0]=3 879 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,0,0,0,0,0|2,0,0]=3 880 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,0,0,0,0,0|2,0,0]=3 881 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,0,0,0,0,0|2,0,0]=3 882 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,0,0,0,0,0|2,0,0]=3 883 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,0,0,0,0,0|2,0,0]=3 884 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,0,0,0,0,0|2,0,0]=3 885 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,0,0,0,0,0|2,0,0]=3 886 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,0,0,0,0,0|2,0,0]=3 887 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,0,0,0,0,0|2,0,0]=3 888 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,0,0,0,0,0|2,0,0]=3 889 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,0,0,0,0,0|2,0,0]=3 890 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,0,0,0,0|2,0,0]=3 891 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,0,0,0,0|2,0,0]=3 892 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,0,0,0,0|2,0,0]=3 893 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,0,0,0,0,0|3,0,0]=4 894 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,0,0,0,0,0|3,0,0]=4 895 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,0,0,0,0,0|3,0,0]=4 896 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,0,0,0,0,0|3,0,0]=4 897 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,0,0,0,0,0|3,0,0]=4 898 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,0,0,0,0,0|3,0,0]=4 899 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,0,0,0,0,0|3,0,0]=4 900 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,0,0,0,0,0|3,0,0]=4 901 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,0,0,0,0,0|3,0,0]=4 902 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [1,0,0,0,0,0|2,0,1]=4 903 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [1,0,0,0,0,0|2,0,1]=4 904 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 905 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 906 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 907 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 908 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,0,0,0,0,0|2,0,0]=3 909 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,0,0,0,0,0|2,0,0]=3 910 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,0,0,0,0,0|2,0,0]=3 911 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,0,0,0,0,0|2,0,0]=3 912 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 913 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 914 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 915 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,0,0,0,0,0|2,0,0]=3 916 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 917 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 918 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 919 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 920 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 921 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,0,0,0,0,0|2,0,0]=3 922 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,0,0,0,0,0|2,0,0]=3 923 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,0,0,0,0,0|2,0,0]=3 924 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,0,0,0,0,0|2,0,0]=3 925 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 926 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 927 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 928 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 929 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 930 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 931 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 932 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 933 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [1,0,0,0,0,0|3,0,0]=4 934 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,0,0,0,0,0|2,0,1]=4 935 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,0,0,0,0,0|2,0,1]=4 936 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,0,0,0,0,0|2,0,1]=4 937 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,0,0,0,0,0|2,0,1]=4 938 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,0,0,0,0,0|1,0,0]=2 939 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,0,0,0,0,0|1,0,0]=2 940 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,0,0,0,0,0|1,0,0]=2 941 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,0,0,0,0,0|1,0,0]=2 942 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,0,0,0,0,0|1,0,0]=2 943 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,0,0,0,0,0|1,0,0]=2 944 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,0,0,0,0,0|1,0,0]=2 945 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,0,0,0,0,0|1,0,0]=2 946 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [1,0,0,0,0,0|2,0,1]=4 947 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,0,0,0,0,0|1,0,1]=3 948 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,0,0,0,0,0|1,0,1]=3 949 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,0,0,0,0,0|1,0,1]=3 950 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,0,0,0,0,0|1,0,1]=3 951 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,0,0,0,0,0|2,0,1]=4 952 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,0,0,0,0,0|2,0,1]=4 953 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [1,0,0,0,0,0|2,0,1]=4 954 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [1,0,0,0,0,0|2,0,1]=4 955 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [1,0,0,0,0,0|2,0,1]=4 956 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,0,0,0,0,0|1,1,1]=4 957 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,0,0,0,0,0|1,1,1]=4 958 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,0,0,0,0,0|3,0,0]=4 959 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [1,0,0,0,0,0|3,0,0]=4 960 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,0,0,0,0,0|2,0,0]=3 961 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [1,0,0,0,0,0|3,0,0]=4 962 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [1,0,0,0,0,0|3,0,0]=4 963 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [1,0,0,0,0,0|3,0,0]=4 964 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 965 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,0,0,0,0,0|3,0,0]=4 966 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 967 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,0,0,0,0,0|2,0,0]=3 968 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,0,0,0,0,0|3,0,0]=4 969 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,0,0,0,0,0|3,0,0]=4 970 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,0,0,0,0,0|3,0,0]=4 971 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,0,0,0,0,0|3,0,0]=4 972 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,0,0,0,0,0|3,0,0]=4 973 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,0,0,0,0,0|3,0,0]=4 974 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,0,0,0,0,0|3,0,0]=4 975 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,0,0,0,0,0|2,0,0]=3 976 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,0,0,0,0,0|2,0,0]=3 977 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,0,0,0,0,0|2,0,0]=3 978 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,0,0,0,0,0|3,0,0]=4 979 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,0,0,0,0,0|3,0,0]=4 980 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,0,0,0,0,0|3,0,0]=4 981 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,0,0,0,0,0|3,0,0]=4 982 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,0,0,0,0,0|3,0,0]=4 983 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,0,0,0,0,0|3,0,0]=4 984 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,0,0,0,0,0|3,0,0]=4 985 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,0,0,0,0,0|3,0,0]=4 986 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,0,0,0,0,0|3,0,0]=4 987 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,0,0,0,0,0|3,0,0]=4 988 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,0,0,0,0,0|3,0,0]=4 989 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,0,0,0,0,0|3,0,0]=4 990 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,0,0,0,0,0|3,0,0]=4 991 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,0,0,0,0,0|3,0,0]=4 992 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,0,0,0,0,0|3,0,0]=4 993 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,0,0,0,0,0|3,0,0]=4 994 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,0,0,0,0,0|3,0,0]=4 995 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,0,0,0,0,0|3,0,0]=4 996 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,0,0,0,0,0|3,0,0]=4 997 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,0,0,0,0,0|3,0,0]=4 998 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,0,0,0,0,0|3,0,0]=4 999 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,0,0,0,0,0|3,0,0]=4 1000 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,0,0,0,0,0|3,0,0]=4 1001 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1002 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1003 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1004 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1005 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1006 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1007 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1008 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,0,0,0,0,0|3,0,0]=4 1009 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1010 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1011 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 1012 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,0,0,0,0,0|3,0,0]=4 1013 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 1014 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1015 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1016 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1017 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1018 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1019 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1020 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,0,0,0,0,0|3,0,0]=4 1021 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,0,0,0,0,0|3,0,0]=4 1022 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,0,0,0,0,0|3,0,0]=4 1023 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,0,0,0,0|3,0,0]=4 1024 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,0,0,0,0|3,0,0]=4 1025 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,0,0,0,0|3,0,0]=4 1026 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,0,0,0,0|3,0,0]=4 1027 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,0,0,0,0|3,0,0]=4 1028 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,0,0,0,0|3,0,0]=4 1029 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,0,0,0,0|3,0,0]=4 1030 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,0,0,0,0|3,0,0]=4 1031 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,0,0,0,0|3,0,0]=4 1032 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,0,0,0,0|3,0,0]=4 1033 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,0,0,0,0,0|3,0,0]=4 1034 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,0,0,0,0,0|3,0,0]=4 1035 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,0,0,0,0,0|3,0,0]=4 1036 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,0,0,0,0,0|3,0,0]=4 1037 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,0,0,0,0,0|3,0,0]=4 1038 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,0,0,0,0,0|3,0,0]=4 1039 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,0,0,0,0,0|3,0,0]=4 1040 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,0,0,0,0,0|2,0,0]=3 1041 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [1,0,0,0,0,0|3,0,0]=4 1042 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,0,0,0,0,0|3,0,0]=4 1043 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,0,0,0,0,0|3,0,0]=4 1044 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,0,0,0,0,0|3,0,0]=4 1045 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,0,0,0,0,0|3,0,0]=4 1046 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,0,0,0,0,0|3,0,0]=4 1047 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,0,0,0,0,0|3,0,0]=4 1048 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,0,0,0,0,0|3,0,0]=4 1049 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,0,0,0,0,0|3,0,0]=4 1050 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,0,0,0,0,0|3,0,0]=4 1051 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,0,0,0,0,0|3,0,0]=4 1052 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,0,0,0,0,0|3,0,0]=4 1053 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [1,0,0,0,0,0|3,0,0]=4 1054 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [1,0,0,0,0,0|3,0,0]=4 1055 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [1,0,0,0,0,0|3,0,0]=4 1056 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [1,0,0,0,0,0|3,0,0]=4 1057 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [1,0,0,0,0,0|2,0,0]=3 1058 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [1,0,0,0,0,0|2,0,0]=3 1059 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [1,0,0,0,0,0|2,0,0]=3 1060 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,0,0,0,0,0|3,0,0]=4 1061 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,0,0,0,0,0|3,0,0]=4 1062 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1063 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1064 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1065 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1066 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [1,0,0,0,0,0|3,0,0]=4 1067 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [1,0,0,0,0,0|3,0,0]=4 1068 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1069 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1070 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1071 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1072 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,0,0,0,0,0|3,0,0]=4 1073 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,0,0,0,0,0|3,0,0]=4 1074 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,0,0,0,0,0|3,0,0]=4 1075 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,0,0,0,0,0|3,0,0]=4 1076 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,0,0,0,0,0|3,0,0]=4 1077 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [1,0,0,0,0,0|3,0,0]=4 1078 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [1,0,0,0,0,0|3,0,0]=4 1079 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1080 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1081 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [1,0,0,0,0,0|3,0,0]=4 1082 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1083 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1084 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1085 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1086 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [1,0,0,0,0,0|3,0,0]=4 1087 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [1,0,0,0,0,0|3,0,0]=4 1088 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [1,0,0,0,0,0|3,0,0]=4 1089 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [1,0,0,0,0,0|3,0,0]=4 1090 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [1,0,0,0,0,0|2,0,0]=3 1091 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [1,0,0,0,0,0|2,0,0]=3 1092 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [1,0,0,0,0,0|2,0,0]=3 1093 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [1,0,0,0,0,0|2,0,0]=3 1094 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [1,0,0,0,0,0|2,0,0]=3 1095 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,0,0,0,0,0|3,0,0]=4 1096 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,0,0,0,0,0|3,0,0]=4 1097 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1098 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1099 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1100 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1101 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [1,0,0,0,0,0|3,0,0]=4 1102 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [1,0,0,0,0,0|3,0,0]=4 1103 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,0,0,0,0,0|3,0,0]=4 1104 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,0,0,0,0,0|3,0,0]=4 1105 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [1,0,0,0,0,0|3,0,0]=4 1106 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1107 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1108 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1109 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1110 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,0,0,0,0,0|3,0,0]=4 1111 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,0,0,0,0,0|3,0,0]=4 1112 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,0,0,0,0,0|3,0,0]=4 1113 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,0,0,0,0,0|3,0,0]=4 1114 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [1,0,0,0,0,0|3,0,0]=4 1115 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [1,0,0,0,0,0|3,0,0]=4 1116 B11R0.1 C#CCC(=O)NC(C)CC(C)C 1626a_100000692259_100011220946 [0,1,0,0,0,0|1,0,2]=4 1117 B11R0.1 C#CCC(=O)NC(C)CC(C)C 527a_100000692259_100011220946 [0,1,0,0,0,0|1,0,2]=4 1118 B11R0.1 C=C(CCC)CC(=O)CC(C)C 1458a_100000138376_100000210624 [0,1,0,0,0,0|2,0,1]=4 1119 B11R0.1 C=CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210193 [0,1,0,0,0,0|1,0,2]=4 1120 B11R0.1 C=CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210193 [0,1,0,0,0,0|1,0,2]=4 1121 B11R0.1 C=CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210193 [0,1,0,0,0,0|1,0,2]=4 1122 B11R0.1 C=CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210193 [0,1,0,0,0,0|1,0,2]=4 1123 B11R0.1 CC(C)CC(C)NC(=O)CC#N 1626a_100000692259_100051588842 [0,1,0,0,0,0|2,0,1]=4 1124 B11R0.1 CC(C)CC(C)NC(=O)CC#N 240690a_100000692259_100051588842 [0,1,0,0,0,0|2,0,1]=4 1125 B11R0.1 CC(C)CC(C)NC(=O)CCO 240690a_100000692259_100011216618 [0,1,0,0,0,0|2,0,0]=3 1126 B11R0.1 CC(C)CC(C)OC(C)CCBr 34a_100012276601_100000731052 [0,1,0,0,0,0|2,0,1]=4 1127 B11R0.1 CC(C)CC(C)OC(C)CCO 34a_100000211805_100009893172 [0,1,0,0,0,0|2,0,1]=4 1128 B11R0.1 CC(C)CC(C)OC(C)CCO 7a_100000211805_100009893172 [0,1,0,0,0,0|2,0,1]=4 1129 B11R0.1 CC(CN(C)C)NC(=O)CCO 240690a_100016992788_100011216618 [0,1,0,0,0,0|3,0,0]=4 1130 B11R0.1 CC=CC(=O)NC(C)CC(C)C 11a_100000692259_100000210699 [0,1,0,0,0,0|1,0,2]=4 1131 B11R0.1 CC=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000210699 [0,1,0,0,0,0|1,0,2]=4 1132 B11R0.1 CC=CC(=O)NC(C)CC(C)C 240690a_100000692259_100000210699 [0,1,0,0,0,0|1,0,2]=4 1133 B11R0.1 CCCC(=CC(=O)CC(C)C)C 1458a_100020676950_100000210624 [0,1,0,0,0,0|2,0,1]=4 1134 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,1,0,0,0,0|1,0,1]=3 1135 B11R0.1 CCCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747444 [0,1,0,0,0,0|2,0,1]=4 1136 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,1,0,0,0,0|2,0,1]=4 1137 B11R0.1 CCCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747444 [0,1,0,0,0,0|2,0,1]=4 1138 B11R0.1 CCCC(=O)CC(=O)NC(C)C 1458a_100000211992_100000183996 [0,1,0,0,0,0|2,0,1]=4 1139 B11R0.1 CCCC(=O)CC(=O)OC(C)C 1458a_100000211992_100011215430 [0,1,0,0,0,0|2,0,1]=4 1140 B11R0.1 CCCC(=O)CN(C)CC(C)C 2230a_100000747067_100000747444 [0,1,0,0,0,0|2,0,0]=3 1141 B11R0.1 CCCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747444 [0,1,0,0,0,0|2,0,0]=3 1142 B11R0.1 CCCC(=O)CN(C)CC(C)O 2230a_100000227577_100000747444 [0,1,0,0,0,0|3,0,0]=4 1143 B11R0.1 CCCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747444 [0,1,0,0,0,0|3,0,0]=4 1144 B11R0.1 CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000211992 [0,1,0,0,0,0|1,0,0]=2 1145 B11R0.1 CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211992 [0,1,0,0,0,0|1,0,0]=2 1146 B11R0.1 CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211992 [0,1,0,0,0,0|1,0,0]=2 1147 B11R0.1 CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000211992 [0,1,0,0,0,0|1,0,0]=2 1148 B11R0.1 CCCC(=O)NC(C)CN(C)C 11a_100016992788_100000211992 [0,1,0,0,0,0|2,0,0]=3 1149 B11R0.1 CCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000211992 [0,1,0,0,0,0|2,0,0]=3 1150 B11R0.1 CCCC(=O)NC(C)CN(C)C 527a_100016992788_100000211992 [0,1,0,0,0,0|2,0,0]=3 1151 B11R0.1 CCCC(C)NC(C)CC(C)C 2230a_100000692259_100000766640 [0,1,0,0,0,0|2,0,1]=4 1152 B11R0.1 CCCC(C)NC(C)CC(C)C 2230a_100000741246_100000731052 [0,1,0,0,0,0|2,0,1]=4 1153 B11R0.1 CCCC(C)NC(C)CC(C)C 270004a_100000692259_100000211909 [0,1,0,0,0,0|2,0,1]=4 1154 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000211805_100000766640 [0,1,0,0,0,0|1,0,1]=3 1155 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000764384_100000731052 [0,1,0,0,0,0|1,0,1]=3 1156 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000211805_100000766640 [0,1,0,0,0,0|1,0,1]=3 1157 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000764384_100000731052 [0,1,0,0,0,0|1,0,1]=3 1158 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000731052_100000766640 [0,1,0,0,0,0|1,1,1]=4 1159 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000766640_100000731052 [0,1,0,0,0,0|1,1,1]=4 1160 B11R0.1 CCCS(=O)CC(=O)CC(C)C 1458a_100011387404_100000210624 [0,1,0,0,0,0|2,0,1]=4 1161 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,1,0,0,0,0|2,0,1]=4 1162 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000741943_100000210760 [0,1,0,0,0,0|3,0,0]=4 1163 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183381 [0,1,0,0,0,0|3,0,0]=4 1164 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000741943_100000210624 [0,1,0,0,0,0|3,0,0]=4 1165 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183381 [0,1,0,0,0,0|3,0,0]=4 1166 B11R0.1 CCNC(=O)CN(C)CC(C)C 270004a_100000741943_100000210432 [0,1,0,0,0,0|3,0,0]=4 1167 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100000692259_100015525214 [0,1,0,0,0,0|2,0,0]=3 1168 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100015525214_100000692259 [0,1,0,0,0,0|2,0,0]=3 1169 B11R0.1 CCNC(=O)NC(C)CC(C)C 273464a_100000692259_100015525214 [0,1,0,0,0,0|2,0,0]=3 1170 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100000692259_100015525214 [0,1,0,0,0,0|2,0,0]=3 1171 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100015525214_100000692259 [0,1,0,0,0,0|2,0,0]=3 1172 B11R0.1 CCNC(=O)NC(C)CN(C)C 2708a_100015525214_100016992788 [0,1,0,0,0,0|3,0,0]=4 1173 B11R0.1 CCNC(=O)NC(C)CN(C)C 273464a_100015525214_100016992788 [0,1,0,0,0,0|3,0,0]=4 1174 B11R0.1 CCNC(=O)NC(C)CN(C)C 273464a_100016992788_100015525214 [0,1,0,0,0,0|3,0,0]=4 1175 B11R0.1 CCNC(=O)NC(C)CN(C)C 512a_100015525214_100016992788 [0,1,0,0,0,0|3,0,0]=4 1176 B11R0.1 CCNC(=O)NC(C)CN(C)C 512a_100016992788_100015525214 [0,1,0,0,0,0|3,0,0]=4 1177 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,1,0,0,0,0|2,0,1]=4 1178 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,1,0,0,0,0|2,0,1]=4 1179 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [0,1,0,0,0,0|3,0,0]=4 1180 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [0,1,0,0,0,0|3,0,0]=4 1181 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [0,1,0,0,0,0|3,0,0]=4 1182 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [0,1,0,0,0,0|3,0,0]=4 1183 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [0,1,0,0,0,0|3,0,0]=4 1184 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [0,1,0,0,0,0|3,0,0]=4 1185 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [0,1,0,0,0,0|3,0,0]=4 1186 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,1,0,0,0,0|3,0,0]=4 1187 B11R0.1 CCOC(=O)C[C@H](O)CN(C)C 269982a_100102631434_100000688340 [0,1,0,0,0,0|3,0,0]=4 1188 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000036008_100000210206 [0,1,0,0,0,0|2,0,0]=3 1189 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000210206_100000036008 [0,1,0,0,0,0|2,0,0]=3 1190 B11R0.1 CNNC(=O)NC(C)CC(C)C 273464a_100000692259_100016993582 [0,1,0,0,0,0|3,0,0]=4 1191 B11R0.1 CNNC(=O)NC(C)CC(C)C 512a_100000692259_100016993582 [0,1,0,0,0,0|3,0,0]=4 1192 B11R0.1 CNNC(=O)NC(C)CC(C)C 512a_100016993582_100000692259 [0,1,0,0,0,0|3,0,0]=4 1193 B11R0.1 COCC(=O)NC(C)CC(C)C 11a_100000692259_100000210968 [0,1,0,0,0,0|2,0,0]=3 1194 B11R0.1 COCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210968 [0,1,0,0,0,0|2,0,0]=3 1195 B11R0.1 COCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210968 [0,1,0,0,0,0|2,0,0]=3 1196 B11R0.1 COCC(=O)NC(C)CC(C)C 527a_100000692259_100000210968 [0,1,0,0,0,0|2,0,0]=3 1197 B11R0.1 COCC(=O)NC(C)CN(C)C 11a_100016992788_100000210968 [0,1,0,0,0,0|3,0,0]=4 1198 B11R0.1 COCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210968 [0,1,0,0,0,0|3,0,0]=4 1199 B11R0.1 COCC(=O)NC(C)CN(C)C 527a_100016992788_100000210968 [0,1,0,0,0,0|3,0,0]=4 1200 B11R0.1 COCC(C)OC(C)CC(C)C 34a_100000211805_100000765312 [0,1,0,0,0,0|2,0,1]=4 1201 B11R0.1 COCC(C)OC(C)CC(C)C 7a_100000211805_100000765312 [0,1,0,0,0,0|2,0,1]=4 1202 B11R0.1 COC[C@@H](C)OC(C)CC(C)C 34a_100011934205_100000731052 [0,1,0,0,0,0|2,0,1]=4 1203 B11R0.1 CSCC(=O)NC(C)CC(C)C 11a_100000692259_100000184570 [0,1,0,0,0,0|2,0,0]=3 1204 B11R0.1 CSCC(=O)NC(C)CC(C)C 1626a_100000692259_100000184570 [0,1,0,0,0,0|2,0,0]=3 1205 B11R0.1 CSCC(=O)NC(C)CC(C)C 240690a_100000692259_100000184570 [0,1,0,0,0,0|2,0,0]=3 1206 B11R0.1 CSCC(=O)NC(C)CC(C)C 527a_100000692259_100000184570 [0,1,0,0,0,0|2,0,0]=3 1207 B11R0.1 CSCC(=O)NC(C)CN(C)C 11a_100016992788_100000184570 [0,1,0,0,0,0|3,0,0]=4 1208 B11R0.1 CSCC(=O)NC(C)CN(C)C 240690a_100016992788_100000184570 [0,1,0,0,0,0|3,0,0]=4 1209 B11R0.1 CSCC(=O)NC(C)CN(C)C 527a_100016992788_100000184570 [0,1,0,0,0,0|3,0,0]=4 1210 B11R0.6 C=C(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748629 [0,1,0,0,0,0|1,0,1]=3 1211 B11R0.6 C=C(C)CC(=O)COCC(C)C 1458a_100011223364_100000748629 [0,1,0,0,0,0|2,0,1]=4 1212 B11R0.6 C=C(F)CC(=O)CCCC(C)C 1458a_100011216857_100009893438 [0,1,0,0,0,0|1,0,2]=4 1213 B11R0.6 CC(=CC(=O)CCCC(C)C)C 1458a_100000211388_100011214892 [0,1,0,0,0,0|1,0,2]=4 1214 B11R0.6 CC(=CC(=O)CCCC(C)C)Cl 1458a_200042562850_100011214892 [0,1,0,0,0,0|1,0,2]=4 1215 B11R0.6 CC(=CC(=O)CCCC(C)C)I 1458a_100025716642_100011214892 [0,1,0,0,0,0|1,0,2]=4 1216 B11R0.6 CC(=CC(=O)NCCC(C)C)C 11a_100000210545_100000211388 [0,1,0,0,0,0|1,0,2]=4 1217 B11R0.6 CC(=CC(=O)NCCC(C)C)C 1626a_100000210545_100000211388 [0,1,0,0,0,0|1,0,2]=4 1218 B11R0.6 CC(=CC(=O)NCCC(C)C)C 240690a_100000210545_100000211388 [0,1,0,0,0,0|1,0,2]=4 1219 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 11a_100000210545_200042562850 [0,1,0,0,0,0|1,0,2]=4 1220 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 1626a_100000210545_200042562850 [0,1,0,0,0,0|1,0,2]=4 1221 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 240690a_100000210545_200042562850 [0,1,0,0,0,0|1,0,2]=4 1222 B11R0.6 CC(=CC(=O)NCCC(C)C)I 11a_100000210545_100025716642 [0,1,0,0,0,0|1,0,2]=4 1223 B11R0.6 CC(=CC(=O)NCCC(C)C)I 1626a_100000210545_100025716642 [0,1,0,0,0,0|1,0,2]=4 1224 B11R0.6 CC(=CCCC(=O)CC(C)C)C 1458a_100000210554_100011217483 [0,1,0,0,0,0|1,0,2]=4 1225 B11R0.6 CC(=CCCC(=O)C[C@@H](C)O)C 1458a_100011933948_100011217483 [0,1,0,0,0,0|1,0,2]=4 1226 B11R0.6 CC(=CCNC(=O)CC(C)C)C 11a_100000718196_100000210554 [0,1,0,0,0,0|1,0,2]=4 1227 B11R0.6 CC(=CCNC(=O)CC(C)C)C 1626a_100000718196_100000210554 [0,1,0,0,0,0|1,0,2]=4 1228 B11R0.6 CC(=CCNC(=O)CC(C)C)C 527a_100000718196_100000210554 [0,1,0,0,0,0|1,0,2]=4 1229 B11R0.6 CC(=O)CC(=O)OCCN(C)C 269982a_100102631434_100000102702 [0,1,0,0,0,0|1,0,1]=3 1230 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,1,0,0,0,0|2,0,1]=4 1231 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,1,0,0,0,0|2,0,1]=4 1232 B11R0.6 CC(=O)CCOC(=O)CC(=O)C 1458a_100000070787_100000102702 [0,1,0,0,0,0|1,0,2]=4 1233 B11R0.6 CC(C)/C=C/CC(=O)CC(C)C 1458a_100016292215_100000210624 [0,1,0,0,0,0|1,0,2]=4 1234 B11R0.6 CC(C)/C=C/CC(=O)CC(C)O 1458a_100016292215_100011218427 [0,1,0,0,0,0|1,0,2]=4 1235 B11R0.6 CC(C)C=NNC(=O)CC(C)C 4a_100000189787_100000210432 [0,1,0,0,0,0|2,0,1]=4 1236 B11R0.6 CC(C)CC(=O)C=CCN(C)C 1458a_100000754359_100000210624 [0,1,0,0,0,0|2,0,1]=4 1237 B11R0.6 CC(C)CC(=O)CCCC(C)O 1458a_100000210554_200000718107 [0,1,0,0,0,0|2,0,0]=3 1238 B11R0.6 CC(C)CC(=O)CCCN(C)C 1458a_100000210554_100000695564 [0,1,0,0,0,0|2,0,0]=3 1239 B11R0.6 CC(C)CC(=O)CCOC(C)C 1458a_100000210554_100000211751 [0,1,0,0,0,0|2,0,0]=3 1240 B11R0.6 CC(C)CC(=O)CCSC(C)C 1458a_100000210554_100000730970 [0,1,0,0,0,0|2,0,0]=3 1241 B11R0.6 CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000210554 [0,1,0,0,0,0|2,0,0]=3 1242 B11R0.6 CC(C)CC(=O)NCCC(C)O 527a_200000755665_100000210554 [0,1,0,0,0,0|2,0,0]=3 1243 B11R0.6 CC(C)CC(=O)NCCN(C)C 240690a_100000210585_100000210554 [0,1,0,0,0,0|2,0,0]=3 1244 B11R0.6 CC(C)CC(=O)NCCN(C)C 527a_100000210585_100000210554 [0,1,0,0,0,0|2,0,0]=3 1245 B11R0.6 CC(C)CC(=O)NNCC(C)O 22a_200000730056_100000210554 [0,1,0,0,0,0|3,0,0]=4 1246 B11R0.6 CC(C)CC(C)OCCC(C)Br 34a_100009893172_100000731052 [0,1,0,0,0,0|2,0,1]=4 1247 B11R0.6 CC(C)CC(C)OCCC(C)O 34a_100000211805_100012276601 [0,1,0,0,0,0|2,0,1]=4 1248 B11R0.6 CC(C)CC(C)OCCC(C)O 7a_100000211805_100012276601 [0,1,0,0,0,0|2,0,1]=4 1249 B11R0.6 CC(C)CC(C)OCCN(C)C 7a_100000211805_100000755713 [0,1,0,0,0,0|2,0,1]=4 1250 B11R0.6 CC(C)CC(C)OCC[C@@H](C)N 34a_100000706166_100000731052 [0,1,0,0,0,0|2,0,1]=4 1251 B11R0.6 CC(C)CC(C)OCOC(C)C 34a_100000211805_100000709892 [0,1,0,0,0,0|2,0,1]=4 1252 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100011216857_100000187820 [0,1,0,0,0,0|2,0,1]=4 1253 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100134613110_100011214892 [0,1,0,0,0,0|2,0,1]=4 1254 B11R0.6 CC(C)CCCC(=O)CC(=O)[O-] 1458a_100011216857_100020667443 [0,1,0,0,0,0|2,0,1]=4 1255 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,1,0,0,0,0|1,0,0]=2 1256 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,1,0,0,0,0|1,0,0]=2 1257 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,1,0,0,0,0|1,0,0]=2 1258 B11R0.6 CC(C)CCCC(=O)CC(F)F 1458a_100011216857_100011934356 [0,1,0,0,0,0|2,0,0]=3 1259 B11R0.6 CC(C)CCCC(=O)CN(C)C 1458a_100000750896_100011214892 [0,1,0,0,0,0|2,0,0]=3 1260 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,1,0,0,0,0|1,0,0]=2 1261 B11R0.6 CC(C)CCCC(=O)C[N+](=O)[O-] 1458a_100011216857_100000761209 [0,1,0,0,0,0|3,0,0]=4 1262 B11R0.6 CC(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100011214892 [0,1,0,0,0,0|2,0,0]=3 1263 B11R0.6 CC(C)CCCC(=O)NC(C)C 11a_100138425928_100011216857 [0,1,0,0,0,0|2,0,0]=3 1264 B11R0.6 CC(C)CCCC(=O)NC(C)C 1626a_100138425928_100011216857 [0,1,0,0,0,0|2,0,0]=3 1265 B11R0.6 CC(C)CCCC(=O)NC(C)C 240690a_100138425928_100011216857 [0,1,0,0,0,0|2,0,0]=3 1266 B11R0.6 CC(C)CCCC(=O)NC(C)C 527a_100138425928_100011216857 [0,1,0,0,0,0|2,0,0]=3 1267 B11R0.6 CC(C)CCCN(C)CC(C)C 2230a_100000747067_100011214892 [0,1,0,0,0,0|3,0,0]=4 1268 B11R0.6 CC(C)CCCN(C)CC(C)C 269982a_100000747067_100011214892 [0,1,0,0,0,0|3,0,0]=4 1269 B11R0.6 CC(C)CCCN(C)CC(C)O 2230a_100000227577_100011214892 [0,1,0,0,0,0|3,0,0]=4 1270 B11R0.6 CC(C)CCCN(C)CC(C)O 269982a_100000227577_100011214892 [0,1,0,0,0,0|3,0,0]=4 1271 B11R0.6 CC(C)CCNC(=O)CC(=O)N 240690a_100000210545_100134613110 [0,1,0,0,0,0|2,0,1]=4 1272 B11R0.6 CC(C)CCNC(=O)CC(=O)N 527a_100000210545_100134613110 [0,1,0,0,0,0|2,0,1]=4 1273 B11R0.6 CC(C)CCNC(=O)CC(C)C 11a_100000210545_100000210554 [0,1,0,0,0,0|1,0,0]=2 1274 B11R0.6 CC(C)CCNC(=O)CC(C)C 1626a_100000210545_100000210554 [0,1,0,0,0,0|1,0,0]=2 1275 B11R0.6 CC(C)CCNC(=O)CC(C)C 240690a_100000210545_100000210554 [0,1,0,0,0,0|1,0,0]=2 1276 B11R0.6 CC(C)CCNC(=O)CC(C)C 527a_100000210545_100000210554 [0,1,0,0,0,0|1,0,0]=2 1277 B11R0.6 CC(C)CCNC(=O)CN(C)C 11a_100000210545_100000750896 [0,1,0,0,0,0|2,0,0]=3 1278 B11R0.6 CC(C)CCNC(=O)CN(C)C 240690a_100000210545_100000750896 [0,1,0,0,0,0|2,0,0]=3 1279 B11R0.6 CC(C)CCNC(=O)CN(C)C 527a_100000210545_100000750896 [0,1,0,0,0,0|2,0,0]=3 1280 B11R0.6 CC(C)CCNC(=O)C[C@@H](C)O 240690a_100000210545_100011933948 [0,1,0,0,0,0|1,0,0]=2 1281 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 11a_100000210545_200159257847 [0,1,0,0,0,0|2,0,0]=3 1282 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 1626a_100000210545_200159257847 [0,1,0,0,0,0|2,0,0]=3 1283 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 240690a_100000210545_200159257847 [0,1,0,0,0,0|2,0,0]=3 1284 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 527a_100000210545_200159257847 [0,1,0,0,0,0|2,0,0]=3 1285 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100000210545_100138425928 [0,1,0,0,0,0|2,0,0]=3 1286 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100138425928_100000210545 [0,1,0,0,0,0|2,0,0]=3 1287 B11R0.6 CC(C)CCNC(=O)NC(C)C 273464a_100138425928_100000210545 [0,1,0,0,0,0|2,0,0]=3 1288 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100000210545_100138425928 [0,1,0,0,0,0|2,0,0]=3 1289 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100138425928_100000210545 [0,1,0,0,0,0|2,0,0]=3 1290 B11R0.6 CC(C)CCNC(C)CC(C)C 2230a_100000692259_100000210312 [0,1,0,0,0,0|2,0,1]=4 1291 B11R0.6 CC(C)CCNC(C)CC(C)C 269862a_100000692259_100000185833 [0,1,0,0,0,0|2,0,1]=4 1292 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000210254_100000731052 [0,1,0,0,0,0|1,0,1]=3 1293 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000211805_100000210312 [0,1,0,0,0,0|1,0,1]=3 1294 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000210254_100000731052 [0,1,0,0,0,0|1,0,1]=3 1295 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000211805_100000210626 [0,1,0,0,0,0|1,0,1]=3 1296 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000210312_100000731052 [0,1,0,0,0,0|1,1,1]=4 1297 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000731052_100000210312 [0,1,0,0,0,0|1,1,1]=4 1298 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000168517_100000210760 [0,1,0,0,0,0|3,0,0]=4 1299 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000210953_100000183996 [0,1,0,0,0,0|3,0,0]=4 1300 B11R0.6 CC(C)CNCC(=O)NC(C)C 270004a_100000168517_100000210432 [0,1,0,0,0,0|3,0,0]=4 1301 B11R0.6 CC(C)CNCC(=O)NC(C)C 34a_100000210953_100000183996 [0,1,0,0,0,0|3,0,0]=4 1302 B11R0.6 CC(C)CNCC(=O)OC(C)C 2230a_100000210953_100011215430 [0,1,0,0,0,0|3,0,0]=4 1303 B11R0.6 CC(C)CNCC(=O)OC(C)C 34a_100000210953_100011215430 [0,1,0,0,0,0|3,0,0]=4 1304 B11R0.6 CC(C)CNNC(=O)CC(C)C 22a_100000696102_100000210554 [0,1,0,0,0,0|2,0,0]=3 1305 B11R0.6 CC(C)CNNC(=O)CN(C)C 22a_100000696102_100000750896 [0,1,0,0,0,0|3,0,0]=4 1306 B11R0.6 CC(C)CNNC(=O)C[C@@H](C)O 22a_100000696102_100011933948 [0,1,0,0,0,0|2,0,0]=3 1307 B11R0.6 CC(C)CNNC(=O)C[S+](C)C 22a_100000696102_200159257847 [0,1,0,0,0,0|3,0,0]=4 1308 B11R0.6 CC(C)CNNC(=O)NC(C)C 273464a_100138425928_100000696102 [0,1,0,0,0,0|3,0,0]=4 1309 B11R0.6 CC(C)CNNC(=O)NC(C)C 512a_100000696102_100138425928 [0,1,0,0,0,0|3,0,0]=4 1310 B11R0.6 CC(C)CNNC(=O)NC(C)C 512a_100138425928_100000696102 [0,1,0,0,0,0|3,0,0]=4 1311 B11R0.6 CC(C)COCC(=O)CC(C)C 1458a_100011223364_100000210624 [0,1,0,0,0,0|2,0,0]=3 1312 B11R0.6 CC(C)COCC(=O)CC(C)O 1458a_100011223364_100011218427 [0,1,0,0,0,0|2,0,0]=3 1313 B11R0.6 CC(C)COCC(=O)CC(F)F 1458a_100011223364_100011934356 [0,1,0,0,0,0|3,0,0]=4 1314 B11R0.6 CC(C)COCC(=O)NC(C)C 11a_100138425928_100011223364 [0,1,0,0,0,0|3,0,0]=4 1315 B11R0.6 CC(C)COCC(=O)NC(C)C 1626a_100138425928_100011223364 [0,1,0,0,0,0|3,0,0]=4 1316 B11R0.6 CC(C)COCC(=O)NC(C)C 240690a_100138425928_100011223364 [0,1,0,0,0,0|3,0,0]=4 1317 B11R0.6 CC(C)COCC(=O)NC(C)C 34a_100000210257_100000183996 [0,1,0,0,0,0|3,0,0]=4 1318 B11R0.6 CC(C)COCC(=O)NC(C)C 527a_100138425928_100011223364 [0,1,0,0,0,0|3,0,0]=4 1319 B11R0.6 CC(C)COCC(=O)OC(C)C 34a_100000210257_100011215430 [0,1,0,0,0,0|3,0,0]=4 1320 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000183996_100000210760 [0,1,0,0,0,0|3,0,0]=4 1321 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000210624_100000183996 [0,1,0,0,0,0|3,0,0]=4 1322 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100000210624_100011215430 [0,1,0,0,0,0|3,0,0]=4 1323 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100011215430_100000210760 [0,1,0,0,0,0|3,0,0]=4 1324 B11R0.6 CC(C)NC(=O)CCCN(C)C 11a_100138425928_100000740757 [0,1,0,0,0,0|3,0,0]=4 1325 B11R0.6 CC(C)NC(=O)CCCN(C)C 240690a_100138425928_100000740757 [0,1,0,0,0,0|3,0,0]=4 1326 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000210206_100000737564 [0,1,0,0,0,0|3,0,0]=4 1327 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000737564_100000210206 [0,1,0,0,0,0|3,0,0]=4 1328 B11R0.6 CC(C)NC(=O)NCCN(C)C 2708a_100138425928_100000210585 [0,1,0,0,0,0|3,0,0]=4 1329 B11R0.6 CC(C)NC(=O)NCCN(C)C 273464a_100138425928_100000210585 [0,1,0,0,0,0|3,0,0]=4 1330 B11R0.6 CC(C)NC(=O)NCCN(C)C 512a_100138425928_100000210585 [0,1,0,0,0,0|3,0,0]=4 1331 B11R0.6 CC(C)NCCC(=O)NC(C)C 2230a_100138425928_100000737564 [0,1,0,0,0,0|3,0,0]=4 1332 B11R0.6 CC(C)NCCC(=O)OC(C)C 2230a_100138425928_100000760027 [0,1,0,0,0,0|3,0,0]=4 1333 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000210206_100000760027 [0,1,0,0,0,0|3,0,0]=4 1334 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000760027_100000210206 [0,1,0,0,0,0|3,0,0]=4 1335 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000003507_100000210206 [0,1,0,0,0,0|2,0,0]=3 1336 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000210206_100000003507 [0,1,0,0,0,0|2,0,0]=3 1337 B11R0.6 CC(C)OCCC(=O)CN(C)C 1458a_100000750896_100000211751 [0,1,0,0,0,0|3,0,0]=4 1338 B11R0.6 CC(C)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100000211751 [0,1,0,0,0,0|2,0,0]=3 1339 B11R0.6 CC(C)OCCC(=O)C[S+](C)C 1458a_200159257847_100000211751 [0,1,0,0,0,0|3,0,0]=4 1340 B11R0.6 CC(C)SCCC(=O)CN(C)C 1458a_100000750896_100000730970 [0,1,0,0,0,0|3,0,0]=4 1341 B11R0.6 CC(C)SCCC(=O)C[C@@H](C)O 1458a_100011933948_100000730970 [0,1,0,0,0,0|2,0,0]=3 1342 B11R0.6 CC(C)SCCC(=O)C[S+](C)C 1458a_200159257847_100000730970 [0,1,0,0,0,0|3,0,0]=4 1343 B11R0.6 CC(O)CC(=O)C=CCN(C)C 1458a_100000754359_100011218427 [0,1,0,0,0,0|2,0,1]=4 1344 B11R0.6 CC(O)CCCC(=O)CN(C)C 1458a_100000750896_200000718107 [0,1,0,0,0,0|3,0,0]=4 1345 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [0,1,0,0,0,0|2,0,0]=3 1346 B11R0.6 CC(O)CCCC(=O)C[S+](C)C 1458a_200159257847_200000718107 [0,1,0,0,0,0|3,0,0]=4 1347 B11R0.6 CC(O)CCCC(=O)NC(C)C 1626a_100138425928_100000761597 [0,1,0,0,0,0|3,0,0]=4 1348 B11R0.6 CC(O)CCCC(=O)NC(C)C 527a_100138425928_100000761597 [0,1,0,0,0,0|3,0,0]=4 1349 B11R0.6 CC(O)CCNC(=O)CN(C)C 240690a_200000755665_100000750896 [0,1,0,0,0,0|3,0,0]=4 1350 B11R0.6 CC(O)CCNC(=O)CN(C)C 527a_200000755665_100000750896 [0,1,0,0,0,0|3,0,0]=4 1351 B11R0.6 CC(O)CCNC(=O)C[C@@H](C)O 240690a_200000755665_100011933948 [0,1,0,0,0,0|2,0,0]=3 1352 B11R0.6 CC(O)CCNC(=O)C[S+](C)C 240690a_200000755665_200159257847 [0,1,0,0,0,0|3,0,0]=4 1353 B11R0.6 CC(O)CCNC(=O)C[S+](C)C 527a_200000755665_200159257847 [0,1,0,0,0,0|3,0,0]=4 1354 B11R0.6 CC(O)CCNC(=O)NC(C)C 2708a_100138425928_200000755665 [0,1,0,0,0,0|3,0,0]=4 1355 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_100138425928_200000755665 [0,1,0,0,0,0|3,0,0]=4 1356 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_200000755665_100138425928 [0,1,0,0,0,0|3,0,0]=4 1357 B11R0.6 CC(O)CNNC(=O)C[C@@H](C)O 22a_200000730056_100011933948 [0,1,0,0,0,0|3,0,0]=4 1358 B11R0.6 CN(C)CCCC(=O)CN(C)C 1458a_100000750896_100000695564 [0,1,0,0,0,0|3,0,0]=4 1359 B11R0.6 CN(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100000695564 [0,1,0,0,0,0|3,0,0]=4 1360 B11R0.6 CN(C)CCNC(=O)CN(C)C 240690a_100000210585_100000750896 [0,1,0,0,0,0|3,0,0]=4 1361 B11R0.6 CN(C)CCNC(=O)CN(C)C 527a_100000210585_100000750896 [0,1,0,0,0,0|3,0,0]=4 1362 B11R0.6 CN(C)CCNC(=O)C[S+](C)C 240690a_100000210585_200159257847 [0,1,0,0,0,0|3,0,0]=4 1363 B11R0.6 CN(C)CCNC(=O)C[S+](C)C 527a_100000210585_200159257847 [0,1,0,0,0,0|3,0,0]=4 1364 B11R0.6 C[C@@H](O)CC(=O)CCCN(C)C 1458a_100011933948_100000695564 [0,1,0,0,0,0|2,0,0]=3 1365 B11R0.6 C[C@@H](O)CC(=O)NCCN(C)C 240690a_100000210585_100011933948 [0,1,0,0,0,0|2,0,0]=3 1366 B11R0.45 C#CC(CCC)OCCC(C)C 34a_200011217317_100000210312 [0,1,0,0,0,0|1,0,1]=3 1367 B11R0.45 C#CC(CCC)OCCC(C)C 7a_200011217317_100000210626 [0,1,0,0,0,0|1,0,1]=3 1368 B11R0.45 C#CC(CCC)OCCC(C)O 34a_200011217317_100012276601 [0,1,0,0,0,0|2,0,1]=4 1369 B11R0.45 C#CC(CCC)OCCC(C)O 7a_200011217317_100012276601 [0,1,0,0,0,0|2,0,1]=4 1370 B11R0.45 C#CC(CCC)OCCN(C)C 7a_200011217317_100000755713 [0,1,0,0,0,0|2,0,1]=4 1371 B11R0.45 C#CC(CCC)OCOC(C)C 34a_200011217317_100000709892 [0,1,0,0,0,0|2,0,1]=4 1372 B11R0.45 C=CC(CCC)OCCC(C)C 34a_100011216692_100000210312 [0,1,0,0,0,0|1,0,1]=3 1373 B11R0.45 C=CC(CCC)OCCC(C)C 7a_100011216692_100000210626 [0,1,0,0,0,0|1,0,1]=3 1374 B11R0.45 C=CC(CCC)OCCC(C)O 34a_100011216692_100012276601 [0,1,0,0,0,0|2,0,1]=4 1375 B11R0.45 C=CC(CCC)OCCC(C)O 7a_100011216692_100012276601 [0,1,0,0,0,0|2,0,1]=4 1376 B11R0.45 C=CC(CCC)OCCN(C)C 7a_100011216692_100000755713 [0,1,0,0,0,0|2,0,1]=4 1377 B11R0.45 C=CC(CCC)OCOC(C)C 34a_100011216692_100000709892 [0,1,0,0,0,0|2,0,1]=4 1378 B11R0.45 CCC(COC)OCCC(C)C 7a_200011214946_100000210626 [0,1,0,0,0,0|2,0,1]=4 1379 B11R0.45 CCCC(C#N)OCCC(C)C 34a_100000686963_100000210312 [0,1,0,0,0,0|1,0,1]=3 1380 B11R0.45 CCCC(C#N)OCCC(C)C 7a_100000686963_100000210626 [0,1,0,0,0,0|1,0,1]=3 1381 B11R0.45 CCCC(C#N)OCCC(C)O 34a_100000686963_100012276601 [0,1,0,0,0,0|2,0,1]=4 1382 B11R0.45 CCCC(C#N)OCCC(C)O 7a_100000686963_100012276601 [0,1,0,0,0,0|2,0,1]=4 1383 B11R0.45 CCCC(C#N)OCCN(C)C 7a_100000686963_100000755713 [0,1,0,0,0,0|2,0,1]=4 1384 B11R0.45 CCCC(C#N)OCOC(C)C 34a_100000686963_100000709892 [0,1,0,0,0,0|2,0,1]=4 1385 B11R0.45 CCCC(CC)NCCC(C)C 2230a_100000747048_100000210312 [0,1,0,0,0,0|2,0,1]=4 1386 B11R0.45 CCCC(CC)NCCC(C)C 269862a_100000747048_100000185833 [0,1,0,0,0,0|2,0,1]=4 1387 B11R0.45 CCCC(CC)NCCC(C)C 270004a_100000210545_100000687865 [0,1,0,0,0,0|2,0,1]=4 1388 B11R0.45 CCCC(CC)OCCC(C)C 34a_100000687864_100000210312 [0,1,0,0,0,0|1,0,1]=3 1389 B11R0.45 CCCC(CC)OCCC(C)C 7a_100000210254_100011219200 [0,1,0,0,0,0|1,0,1]=3 1390 B11R0.45 CCCC(CC)OCCC(C)C 7a_100000687864_100000210626 [0,1,0,0,0,0|1,0,1]=3 1391 B11R0.45 CCCC(CC)OCCC(C)O 34a_100000687864_100012276601 [0,1,0,0,0,0|2,0,1]=4 1392 B11R0.45 CCCC(CC)OCCC(C)O 7a_100000687864_100012276601 [0,1,0,0,0,0|2,0,1]=4 1393 B11R0.45 CCCC(CC)OCCN(C)C 7a_100000687864_100000755713 [0,1,0,0,0,0|2,0,1]=4 1394 B11R0.45 CCCC(CC)OCOC(C)C 34a_100000687864_100000709892 [0,1,0,0,0,0|2,0,1]=4 1395 B11R0.45 CCCC(CC)SCCC(C)C 62a_100000210312_100011219200 [0,1,0,0,0,0|1,1,1]=4 1396 B11R0.45 CCCC(CC)SCCC(C)C 62a_100011219200_100000210312 [0,1,0,0,0,0|1,1,1]=4 1397 B11R0.45 CCCN(CC)CCCC(C)C 2230a_100000226822_100011214892 [0,1,0,0,0,0|3,0,0]=4 1398 B11R0.45 CCCN(CC)CCCC(C)C 269982a_100000226822_100011214892 [0,1,0,0,0,0|3,0,0]=4 1399 B11R0.45 CCC[C@@H](CO)NCCC(C)C 2230a_100000732646_100000210312 [0,1,0,0,0,0|1,0,2]=4 1400 B11R0.45 CCC[C@@H](CO)NCCC(C)C 269862a_100000732646_100000185833 [0,1,0,0,0,0|1,0,2]=4 1401 B11R0.45 CCC[C@@H](CO)NCCC(C)C 34a_100000732646_100000210312 [0,1,0,0,0,0|1,0,2]=4 1402 B11R0.45 COCC(CCl)OCCC(C)C 34a_100011215053_100000210312 [0,1,0,0,0,0|2,0,1]=4 1403 B11R0.45 COCC(CN)OCCC(C)C 34a_100000756049_100000210312 [0,1,0,0,0,0|2,0,1]=4 1404 B11R0.59 C#CCC(=O)C(C)CCC(C)C 1458a_100011220946_100011261404 [0,1,0,0,0,0|1,0,2]=4 1405 B11R0.59 C#CCC(=O)N(C)CCC(C)C 1626a_100000742789_100011220946 [0,1,0,0,0,0|1,0,2]=4 1406 B11R0.59 C#CCC(=O)N(C)CCC(C)C 527a_100000742789_100011220946 [0,1,0,0,0,0|1,0,2]=4 1407 B11R0.59 C=C(CNC(C)C)C(=O)OCC 34a_100138425928_100000755967 [0,1,0,0,0,0|3,0,0]=4 1408 B11R0.59 C=C(COC(C)C)C(=O)OCC 34a_100000212225_100000755967 [0,1,0,0,0,0|3,0,0]=4 1409 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000210206_100000755967 [0,1,0,0,0,0|3,0,0]=4 1410 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000755967_100000210206 [0,1,0,0,0,0|3,0,0]=4 1411 B11R0.59 C=CCC(=O)C(C)CCC(C)C 1458a_100000210193_100011261404 [0,1,0,0,0,0|1,0,2]=4 1412 B11R0.59 C=CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210193 [0,1,0,0,0,0|1,0,2]=4 1413 B11R0.59 C=CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210193 [0,1,0,0,0,0|1,0,2]=4 1414 B11R0.59 C=CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210193 [0,1,0,0,0,0|1,0,2]=4 1415 B11R0.59 C=CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210193 [0,1,0,0,0,0|1,0,2]=4 1416 B11R0.59 CC#CC(=O)C(C)CCC(C)C 1458a_100000763181_100011261404 [0,1,0,0,0,0|1,0,2]=4 1417 B11R0.59 CC(C)CCC(C)C(=O)CC#N 1458a_100051588842_100011261404 [0,1,0,0,0,0|2,0,1]=4 1418 B11R0.59 CC(C)CCC(C)C(=O)CCO 1458a_100011216618_100011261404 [0,1,0,0,0,0|2,0,0]=3 1419 B11R0.59 CC(C)CCN(C)C(=O)CC#N 1626a_100000742789_100051588842 [0,1,0,0,0,0|2,0,1]=4 1420 B11R0.59 CC(C)CCN(C)C(=O)CC#N 240690a_100000742789_100051588842 [0,1,0,0,0,0|2,0,1]=4 1421 B11R0.59 CC(C)CCN(C)C(=O)CCO 240690a_100000742789_100011216618 [0,1,0,0,0,0|2,0,0]=3 1422 B11R0.59 CC(C)CNC(=O)C(=O)CCF 1458a_200011297155_100011217306 [0,1,0,0,0,0|3,0,0]=4 1423 B11R0.59 CC(C)CNC(=O)C(=O)CCO 1458a_200011297155_100000211926 [0,1,0,0,0,0|3,0,0]=4 1424 B11R0.59 CC/C=C(\C)/C(=O)CCC(C)C 1458a_100016988807_100000210312 [0,1,0,0,0,0|2,0,1]=4 1425 B11R0.59 CC=CC(=O)C(C)CCC(C)C 1458a_100000210699_100011261404 [0,1,0,0,0,0|1,0,2]=4 1426 B11R0.59 CC=CC(=O)N(C)CCC(C)C 11a_100000742789_100000210699 [0,1,0,0,0,0|1,0,2]=4 1427 B11R0.59 CC=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000210699 [0,1,0,0,0,0|1,0,2]=4 1428 B11R0.59 CC=CC(=O)N(C)CCC(C)C 240690a_100000742789_100000210699 [0,1,0,0,0,0|1,0,2]=4 1429 B11R0.59 CCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210303 [0,1,0,0,0,0|2,0,0]=3 1430 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [0,1,0,0,0,0|1,0,0]=2 1431 B11R0.59 CCCC(=O)N(C)CCC(C)C 11a_100000742789_100000211992 [0,1,0,0,0,0|1,0,0]=2 1432 B11R0.59 CCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000211992 [0,1,0,0,0,0|1,0,0]=2 1433 B11R0.59 CCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000211992 [0,1,0,0,0,0|1,0,0]=2 1434 B11R0.59 CCCC(=O)N(C)CCC(C)C 527a_100000742789_100000211992 [0,1,0,0,0,0|1,0,0]=2 1435 B11R0.59 CCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000211992 [0,1,0,0,0,0|2,0,0]=3 1436 B11R0.59 CCCC(=O)N(C)CCN(C)C 527a_100000225618_100000211992 [0,1,0,0,0,0|2,0,0]=3 1437 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000181311_100000766640 [0,1,0,0,0,0|2,0,1]=4 1438 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000210906_100000210312 [0,1,0,0,0,0|2,0,1]=4 1439 B11R0.59 CCCC(C)N(C)CCC(C)C 2230a_100000742789_100000766640 [0,1,0,0,0,0|2,0,1]=4 1440 B11R0.59 CCCC(C)N(C)CCC(C)C 269982a_100000742789_100000766640 [0,1,0,0,0,0|2,0,1]=4 1441 B11R0.59 CCCC(C)N(C)CCC(C)C 270004a_100000742789_100000211909 [0,1,0,0,0,0|2,0,1]=4 1442 B11R0.59 CCCN(C)C(=O)CCC(C)C 11a_100000747261_100000181311 [0,1,0,0,0,0|3,0,0]=4 1443 B11R0.59 CCCN(C)C(=O)CCC(C)C 1626a_100000747261_100000181311 [0,1,0,0,0,0|3,0,0]=4 1444 B11R0.59 CCCN(C)C(=O)CCC(C)C 240690a_100000747261_100000181311 [0,1,0,0,0,0|3,0,0]=4 1445 B11R0.59 CCCN(C)C(=O)CCC(C)C 527a_100000747261_100000181311 [0,1,0,0,0,0|3,0,0]=4 1446 B11R0.59 CCCN(C)C(C)CCC(C)C 2230a_100000747261_100011261404 [0,1,0,0,0,0|3,0,0]=4 1447 B11R0.59 CCCN(C)C(C)CCC(C)C 269982a_100000747261_100011261404 [0,1,0,0,0,0|3,0,0]=4 1448 B11R0.59 CCCN(C)C(C)CCC(C)C 270004a_100000747261_100000210476 [0,1,0,0,0,0|3,0,0]=4 1449 B11R0.59 CCC[C@H](O)C(=O)CCC(C)C 1458a_100009822183_100000210312 [0,1,0,0,0,0|1,0,2]=4 1450 B11R0.59 CCNC(=O)C(=O)CCC(C)C 1458a_200011297158_100000210312 [0,1,0,0,0,0|2,0,0]=3 1451 B11R0.59 CCNC(=O)C(=O)CCC(C)O 1458a_200011297158_100012276601 [0,1,0,0,0,0|3,0,0]=4 1452 B11R0.59 CCNC(=O)C(=O)NCC(C)C 1626a_100000210953_200011297158 [0,1,0,0,0,0|3,0,0]=4 1453 B11R0.59 CCNC(=O)C(=O)NCC(C)C 240690a_100000210953_200011297158 [0,1,0,0,0,0|3,0,0]=4 1454 B11R0.59 CCNC(=O)C(=O)NCC(C)C 240690a_100015525214_200011297155 [0,1,0,0,0,0|3,0,0]=4 1455 B11R0.59 CCNC(=O)C(=O)NCC(C)C 527a_100000210953_200011297158 [0,1,0,0,0,0|3,0,0]=4 1456 B11R0.59 CCNC(=O)C(=O)NCC(C)C 527a_100015525214_200011297155 [0,1,0,0,0,0|3,0,0]=4 1457 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000210953_100000230173 [0,1,0,0,0,0|3,0,0]=4 1458 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000736553_100000210760 [0,1,0,0,0,0|3,0,0]=4 1459 B11R0.59 CCNC(=O)C(C)NCC(C)C 270004a_100000736553_100000210432 [0,1,0,0,0,0|3,0,0]=4 1460 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000210953_100000230173 [0,1,0,0,0,0|3,0,0]=4 1461 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000736553_100000210624 [0,1,0,0,0,0|3,0,0]=4 1462 B11R0.59 CCNC(=O)C(C)OCC(C)C 34a_100000210257_100000230173 [0,1,0,0,0,0|3,0,0]=4 1463 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000210624_100000230173 [0,1,0,0,0,0|3,0,0]=4 1464 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000230173_100000210760 [0,1,0,0,0,0|3,0,0]=4 1465 B11R0.59 CCNC(=O)N(C)CCC(C)C 2708a_100015525214_100000742789 [0,1,0,0,0,0|2,0,0]=3 1466 B11R0.59 CCNC(=O)N(C)CCC(C)C 273464a_100015525214_100000742789 [0,1,0,0,0,0|2,0,0]=3 1467 B11R0.59 CCNC(=O)N(C)CCN(C)C 2708a_100015525214_100000225618 [0,1,0,0,0,0|3,0,0]=4 1468 B11R0.59 CCNC(=O)N(C)CCN(C)C 273464a_100015525214_100000225618 [0,1,0,0,0,0|3,0,0]=4 1469 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000210206_100000211299 [0,1,0,0,0,0|3,0,0]=4 1470 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000211299_100000210206 [0,1,0,0,0,0|3,0,0]=4 1471 B11R0.59 CCOC(=O)C(=O)NCC(C)C 11a_100000210953_100014798877 [0,1,0,0,0,0|3,0,0]=4 1472 B11R0.59 CCOC(=O)C(=O)NCC(C)C 1626a_100000210953_100014798877 [0,1,0,0,0,0|3,0,0]=4 1473 B11R0.59 CCOC(=O)C(=O)NCC(C)C 240690a_100000210953_100014798877 [0,1,0,0,0,0|3,0,0]=4 1474 B11R0.59 CCOC(=O)C(C)NCC(C)C 2230a_100000210953_100011215307 [0,1,0,0,0,0|3,0,0]=4 1475 B11R0.59 CCOC(=O)C(C)NCC(C)C 34a_100000210953_100011216346 [0,1,0,0,0,0|3,0,0]=4 1476 B11R0.59 CCOC(=O)C(C)OCC(C)C 34a_100000210257_100011216346 [0,1,0,0,0,0|3,0,0]=4 1477 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100000210624_100011216346 [0,1,0,0,0,0|3,0,0]=4 1478 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100011216346_100000210760 [0,1,0,0,0,0|3,0,0]=4 1479 B11R0.59 CCOC(=O)C(F)NCC(C)C 2230a_100000210953_100000760018 [0,1,0,0,0,0|3,0,0]=4 1480 B11R0.59 CCOC(=O)C(F)NCC(C)C 34a_100000210953_100000760018 [0,1,0,0,0,0|3,0,0]=4 1481 B11R0.59 CCOC(=O)C(F)OCC(C)C 34a_100000210257_100000760018 [0,1,0,0,0,0|3,0,0]=4 1482 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000210624_100000760018 [0,1,0,0,0,0|3,0,0]=4 1483 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000760018_100000210760 [0,1,0,0,0,0|3,0,0]=4 1484 B11R0.59 CCOC(=O)[C@H](C)OCC(C)C 7a_100000751109_100000210760 [0,1,0,0,0,0|3,0,0]=4 1485 B11R0.59 CCSC(=O)[C@H](C)NCC(C)C 2230a_100103168634_100000210760 [0,1,0,0,0,0|3,0,0]=4 1486 B11R0.59 CN(C)CCN(C)C(=O)CCO 240690a_100000225618_100011216618 [0,1,0,0,0,0|3,0,0]=4 1487 B11R0.59 COCC(=O)C(C)CCC(C)C 1458a_100000210968_100011261404 [0,1,0,0,0,0|2,0,0]=3 1488 B11R0.59 COCC(=O)N(C)CCC(C)C 11a_100000742789_100000210968 [0,1,0,0,0,0|2,0,0]=3 1489 B11R0.59 COCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210968 [0,1,0,0,0,0|2,0,0]=3 1490 B11R0.59 COCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210968 [0,1,0,0,0,0|2,0,0]=3 1491 B11R0.59 COCC(=O)N(C)CCC(C)C 527a_100000742789_100000210968 [0,1,0,0,0,0|2,0,0]=3 1492 B11R0.59 COCC(=O)N(C)CCN(C)C 240690a_100000225618_100000210968 [0,1,0,0,0,0|3,0,0]=4 1493 B11R0.59 COCC(=O)N(C)CCN(C)C 527a_100000225618_100000210968 [0,1,0,0,0,0|3,0,0]=4 1494 B11R0.59 CSCC(=O)C(C)CCC(C)C 1458a_100000184570_100011261404 [0,1,0,0,0,0|2,0,0]=3 1495 B11R0.59 CSCC(=O)N(C)CCC(C)C 11a_100000742789_100000184570 [0,1,0,0,0,0|2,0,0]=3 1496 B11R0.59 CSCC(=O)N(C)CCC(C)C 1626a_100000742789_100000184570 [0,1,0,0,0,0|2,0,0]=3 1497 B11R0.59 CSCC(=O)N(C)CCC(C)C 240690a_100000742789_100000184570 [0,1,0,0,0,0|2,0,0]=3 1498 B11R0.59 CSCC(=O)N(C)CCC(C)C 527a_100000742789_100000184570 [0,1,0,0,0,0|2,0,0]=3 1499 B11R0.59 CSCC(=O)N(C)CCN(C)C 240690a_100000225618_100000184570 [0,1,0,0,0,0|3,0,0]=4 1500 B11R0.59 CSCC(=O)N(C)CCN(C)C 527a_100000225618_100000184570 [0,1,0,0,0,0|3,0,0]=4 1501 B11R0.104 CC(C)CCNS(=O)(=O)CCBr 270084a_100000210545_100000731045 [0,1,0,0,0,0|3,0,0]=4 1502 B11R0.104 CC(C)CCNS(=O)(=O)CCBr 274078a_100000210545_100000731045 [0,1,0,0,0,0|3,0,0]=4 1503 B11R0.104 CC(C)CCNS(=O)(=O)CCCl 270084a_100000210545_100000184613 [0,1,0,0,0,0|3,0,0]=4 1504 B11R0.104 CC(C)CCNS(=O)(=O)CCCl 274078a_100000210545_100000184613 [0,1,0,0,0,0|3,0,0]=4 1505 B11R0.104 CC(C)CCOC(C)(C)CCBr 7a_100000702414_100000210626 [0,1,0,0,0,0|2,0,1]=4 1506 B11R0.104 CCCC(C)(C)OCCC(C)C 7a_100000748436_100000210626 [0,1,0,0,0,0|1,0,1]=3 1507 B11R0.104 CCCC(C)(C)OCCC(C)O 7a_100000748436_100012276601 [0,1,0,0,0,0|2,0,1]=4 1508 B11R0.104 CCCC(C)(C)OCCN(C)C 7a_100000748436_100000755713 [0,1,0,0,0,0|2,0,1]=4 1509 B11R0.104 CCCS(=O)(=O)NCCC(C)C 270084a_100000210545_100000211391 [0,1,0,0,0,0|2,0,0]=3 1510 B11R0.104 CCCS(=O)(=O)NCCC(C)C 274078a_100000210545_100000211391 [0,1,0,0,0,0|2,0,0]=3 1511 B11R0.104 CCCS(=O)(=O)NCCC(C)C 40a_100000210545_100000054278 [0,1,0,0,0,0|2,0,0]=3 1512 B11R0.104 CCCS(=O)(=O)NCCC(C)O 270084a_200000755665_100000211391 [0,1,0,0,0,0|3,0,0]=4 1513 B11R0.104 CCCS(=O)(=O)NCCC(C)O 274078a_200000755665_100000211391 [0,1,0,0,0,0|3,0,0]=4 1514 B11R0.104 CCCS(=O)(=O)NCCC(C)O 40a_200000755665_100000054278 [0,1,0,0,0,0|3,0,0]=4 1515 B11R0.104 CCCS(=O)(=O)NCCN(C)C 270084a_100000210585_100000211391 [0,1,0,0,0,0|3,0,0]=4 1516 B11R0.104 CCCS(=O)(=O)NCCN(C)C 274078a_100000210585_100000211391 [0,1,0,0,0,0|3,0,0]=4 1517 B11R0.104 CCCS(=O)(=O)NCCN(C)C 40a_100000210585_100000054278 [0,1,0,0,0,0|3,0,0]=4 1518 B11R0.104 CCCS(=O)(=O)NNCC(C)C 40a_100000696102_100000054278 [0,1,0,0,0,0|3,0,0]=4 1519 B11R0.141 C#CCC(=O)NCC(O)C(C)C 527a_100000759067_100011220946 [0,1,0,0,0,0|1,0,2]=4 1520 B11R0.141 C=C(C)C(=O)COC(=O)CCC 1458a_100000185857_100000034017 [0,1,0,0,0,0|0,0,3]=4 1521 B11R0.141 C=CCC(=O)NCC(O)C(C)C 11a_100000759067_100000210193 [0,1,0,0,0,0|1,0,2]=4 1522 B11R0.141 C=CCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210193 [0,1,0,0,0,0|1,0,2]=4 1523 B11R0.141 C=CCC(=O)NCC(O)C(C)C 527a_100000759067_100000210193 [0,1,0,0,0,0|1,0,2]=4 1524 B11R0.141 CC(C)C(O)CNC(=O)CC#N 240690a_100000759067_100051588842 [0,1,0,0,0,0|2,0,1]=4 1525 B11R0.141 CC(C)C(O)CNC(=O)CCO 240690a_100000759067_100011216618 [0,1,0,0,0,0|2,0,0]=3 1526 B11R0.141 CC(C)N(C)CCC(=O)CCF 1458a_100015184040_100011217306 [0,1,0,0,0,0|3,0,0]=4 1527 B11R0.141 CC(C)N(C)CCC(=O)CCO 1458a_100015184040_100000211926 [0,1,0,0,0,0|3,0,0]=4 1528 B11R0.141 CC(CCO)OC[C@H](N)C(C)C 34a_100011830312_100009893172 [0,1,0,0,0,0|2,0,1]=4 1529 B11R0.141 CC=CC(=O)NCC(O)C(C)C 11a_100000759067_100000210699 [0,1,0,0,0,0|1,0,2]=4 1530 B11R0.141 CC=CC(=O)NCC(O)C(C)C 240690a_100000759067_100000210699 [0,1,0,0,0,0|1,0,2]=4 1531 B11R0.141 CCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210303 [0,1,0,0,0,0|2,0,1]=4 1532 B11R0.141 CCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210303 [0,1,0,0,0,0|2,0,0]=3 1533 B11R0.141 CCCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210303 [0,1,0,0,0,0|2,0,1]=4 1534 B11R0.141 CCCC(=O)CNC(C)C(C)C 2230a_100000211541_100000747444 [0,1,0,0,0,0|2,0,0]=3 1535 B11R0.141 CCCC(=O)COC(=O)C(C)C 1458a_100000211992_100000139345 [0,1,0,0,0,0|2,0,1]=4 1536 B11R0.141 CCCC(=O)COC(C)C(C)C 7a_100000748068_100000747444 [0,1,0,0,0,0|2,0,0]=3 1537 B11R0.141 CCCC(=O)NCC(=O)N(C)C 11a_100015183351_100000211992 [0,1,0,0,0,0|2,0,1]=4 1538 B11R0.141 CCCC(=O)NCC(=O)N(C)C 240690a_100015183351_100000211992 [0,1,0,0,0,0|2,0,1]=4 1539 B11R0.141 CCCC(=O)NCC(=O)N(C)C 527a_100015183351_100000211992 [0,1,0,0,0,0|2,0,1]=4 1540 B11R0.141 CCCC(=O)NCC(O)C(C)C 11a_100000759067_100000211992 [0,1,0,0,0,0|1,0,0]=2 1541 B11R0.141 CCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000211992 [0,1,0,0,0,0|1,0,0]=2 1542 B11R0.141 CCCC(=O)NCC(O)C(C)C 527a_100000759067_100000211992 [0,1,0,0,0,0|1,0,0]=2 1543 B11R0.141 CCCC(=O)NN=C(C)C(C)C 4a_100000189770_100000211110 [0,1,0,0,0,0|2,0,1]=4 1544 B11R0.141 CCCC(=O)NNC(=O)C(C)C 22a_100000184118_100000211992 [0,1,0,0,0,0|2,0,1]=4 1545 B11R0.141 CCCC(=O)NNC(=O)C(C)C 22a_100000189770_100000210198 [0,1,0,0,0,0|2,0,1]=4 1546 B11R0.141 CCCC(=O)OCC(=O)C(C)C 1458a_100000210198_100000034017 [0,1,0,0,0,0|0,0,1]=2 1547 B11R0.141 CCCC(=O)OCC(=O)C(C)F 1458a_100000062450_100000034017 [0,1,0,0,0,0|1,0,1]=3 1548 B11R0.141 CCCC(=O)OCC(=O)C(O)O 1458a_100000233687_100000034017 [0,1,0,0,0,0|2,0,1]=4 1549 B11R0.141 CCCC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_100000034017 [0,1,0,0,0,0|1,0,1]=3 1550 B11R0.141 CCCC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_100000034017 [0,1,0,0,0,0|1,0,1]=3 1551 B11R0.141 CCCC(=O)OCN(C)C(C)C 269982a_200000211004_100000034017 [0,1,0,0,0,0|1,0,0]=2 1552 B11R0.141 CCCC(C)NCC(O)C(C)C 2230a_100000759067_100000766640 [0,1,0,0,0,0|2,0,1]=4 1553 B11R0.141 CCCC(C)NCC(O)C(C)C 270004a_100000759067_100000211909 [0,1,0,0,0,0|2,0,1]=4 1554 B11R0.141 CCCC(C)NCC(O)C(C)C 34a_100000759067_100000766640 [0,1,0,0,0,0|2,0,1]=4 1555 B11R0.141 CCCC(C)OCC(=O)C(C)C 34a_100000764384_100000753385 [0,1,0,0,0,0|1,0,2]=4 1556 B11R0.141 CCCC(C)OCC(=O)C(C)C 7a_100000764384_100000753385 [0,1,0,0,0,0|1,0,2]=4 1557 B11R0.141 CCCC(C)OC[C@H](N)C(C)C 34a_100011830312_100000766640 [0,1,0,0,0,0|1,0,1]=3 1558 B11R0.141 CCNC(=O)CCC(=O)C(C)C 1458a_100000199579_100000210206 [0,1,0,0,0,0|2,0,1]=4 1559 B11R0.141 CCNC(=O)CCN(C)C(C)C 240690a_100015525214_100015184040 [0,1,0,0,0,0|3,0,0]=4 1560 B11R0.141 CCNC(=O)CCN(C)C(C)C 269982a_200000211004_100000737597 [0,1,0,0,0,0|3,0,0]=4 1561 B11R0.141 CCNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183381 [0,1,0,0,0,0|3,0,0]=4 1562 B11R0.141 CCNC(=O)COC(C)C(C)C 7a_100000748068_100000183381 [0,1,0,0,0,0|3,0,0]=4 1563 B11R0.141 CCNC(=O)NCC(O)C(C)C 2708a_100015525214_100000759067 [0,1,0,0,0,0|2,0,0]=3 1564 B11R0.141 CCNC(=O)NCC(O)C(C)C 273464a_100000759067_100015525214 [0,1,0,0,0,0|2,0,0]=3 1565 B11R0.141 CCNC(=O)NCC(O)C(C)C 273464a_100015525214_100000759067 [0,1,0,0,0,0|2,0,0]=3 1566 B11R0.141 CCNC(=O)NCC(O)C(C)C 512a_100000759067_100015525214 [0,1,0,0,0,0|2,0,0]=3 1567 B11R0.141 CCNC(=O)NCC(O)C(C)C 512a_100015525214_100000759067 [0,1,0,0,0,0|2,0,0]=3 1568 B11R0.141 CCOC(=O)CCC(=O)C(C)C 1458a_100000183558_100000210206 [0,1,0,0,0,0|2,0,1]=4 1569 B11R0.141 CCOC(=O)CCC(C)N(C)C 2230a_100102631434_100000748298 [0,1,0,0,0,0|3,0,0]=4 1570 B11R0.141 CCOC(=O)CCC(C)N(C)C 269982a_100102631434_100000748298 [0,1,0,0,0,0|3,0,0]=4 1571 B11R0.141 CCOC(=O)CCN(C)C(C)C 2230a_100000745921_100000210206 [0,1,0,0,0,0|3,0,0]=4 1572 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100000745921_100000210206 [0,1,0,0,0,0|3,0,0]=4 1573 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100011277713_200000210301 [0,1,0,0,0,0|3,0,0]=4 1574 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_200000211004_100011206558 [0,1,0,0,0,0|3,0,0]=4 1575 B11R0.141 CCOC(=O)CCN([13CH3])C(C)C 269982a_100011277713_200025704644 [0,1,0,0,0,0|3,0,0]=4 1576 B11R0.141 CCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000188475 [0,1,0,0,0,0|3,0,0]=4 1577 B11R0.141 CCOC(=O)COC(C)C(C)C 7a_100000748068_100000188475 [0,1,0,0,0,0|3,0,0]=4 1578 B11R0.141 CCOC(=O)NCC(=O)C(C)C 1458a_100000190774_100000210206 [0,1,0,0,0,0|2,0,1]=4 1579 B11R0.141 CNNC(=O)NCC(O)C(C)C 273464a_100000759067_100016993582 [0,1,0,0,0,0|3,0,0]=4 1580 B11R0.141 CNNC(=O)NCC(O)C(C)C 512a_100000759067_100016993582 [0,1,0,0,0,0|3,0,0]=4 1581 B11R0.141 CNNC(=O)NCC(O)C(C)C 512a_100016993582_100000759067 [0,1,0,0,0,0|3,0,0]=4 1582 B11R0.141 COCC(=O)NCC(O)C(C)C 11a_100000759067_100000210968 [0,1,0,0,0,0|2,0,0]=3 1583 B11R0.141 COCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210968 [0,1,0,0,0,0|2,0,0]=3 1584 B11R0.141 COCC(=O)NCC(O)C(C)C 527a_100000759067_100000210968 [0,1,0,0,0,0|2,0,0]=3 1585 B11R0.141 COCC(C)OC[C@H](N)C(C)C 34a_100011830312_100000765312 [0,1,0,0,0,0|2,0,1]=4 1586 B11R0.141 CSCC(=O)NCC(O)C(C)C 11a_100000759067_100000184570 [0,1,0,0,0,0|2,0,0]=3 1587 B11R0.141 CSCC(=O)NCC(O)C(C)C 240690a_100000759067_100000184570 [0,1,0,0,0,0|2,0,0]=3 1588 B11R0.141 CSCC(=O)NCC(O)C(C)C 527a_100000759067_100000184570 [0,1,0,0,0,0|2,0,0]=3 1589 B11R0.145 C#CC(C)C(=O)CCCC(C)C 1458a_100011216857_200000035995 [0,1,0,0,0,0|1,0,2]=4 1590 B11R0.145 C/C=C(\C)/C(=O)CCCC(C)C 1458a_100020587367_100011214892 [0,1,0,0,0,0|1,0,2]=4 1591 B11R0.145 C/C=C(\C)/C(=O)NCCC(C)C 11a_100000210545_100020587367 [0,1,0,0,0,0|1,0,2]=4 1592 B11R0.145 C/C=C(\C)/C(=O)NCCC(C)C 1626a_100000210545_100020587367 [0,1,0,0,0,0|1,0,2]=4 1593 B11R0.145 C=CC(C)C(=O)CCCC(C)C 1458a_100011216780_100011214892 [0,1,0,0,0,0|1,0,2]=4 1594 B11R0.145 C=CC(C)C(=O)NCCC(C)C 11a_100000210545_100011216780 [0,1,0,0,0,0|1,0,2]=4 1595 B11R0.145 C=CC(C)C(=O)NCCC(C)C 1626a_100000210545_100011216780 [0,1,0,0,0,0|1,0,2]=4 1596 B11R0.145 C=CC(C)C(=O)NCCC(C)C 240690a_100000210545_100011216780 [0,1,0,0,0,0|1,0,2]=4 1597 B11R0.145 C=CC(C)C(=O)NCCC(C)C 527a_100000210545_100011216780 [0,1,0,0,0,0|1,0,2]=4 1598 B11R0.145 CC(C)CCCC(=O)C(C)C#N 1458a_100000753662_100011214892 [0,1,0,0,0,0|2,0,1]=4 1599 B11R0.145 CC(C)CCCC(=O)C(C)C#N 1458a_100011216857_100000703298 [0,1,0,0,0,0|2,0,1]=4 1600 B11R0.145 CC(C)CCCC(=O)C(O)CO 1458a_100011215603_100011214892 [0,1,0,0,0,0|2,0,0]=3 1601 B11R0.145 CC(C)CCNC(=O)C(C)C#N 11a_100000210545_100000753662 [0,1,0,0,0,0|2,0,1]=4 1602 B11R0.145 CC(C)CCNC(=O)C(C)C#N 1626a_100000210545_100000753662 [0,1,0,0,0,0|2,0,1]=4 1603 B11R0.145 CC(C)CCNC(=O)C(C)C#N 240690a_100000210545_100000753662 [0,1,0,0,0,0|2,0,1]=4 1604 B11R0.145 CC(C)CCNC(=O)C(C)C#N 527a_100000210545_100000753662 [0,1,0,0,0,0|2,0,1]=4 1605 B11R0.145 CC(C)CCNC(=O)C(C)S[13CH3] 62a_100000735922_200025704644 [0,1,0,0,0,0|2,0,0]=3 1606 B11R0.145 CC(C)CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735922 [0,1,0,0,0,0|2,0,0]=3 1607 B11R0.145 CC(C)CCNC(=O)C(O)CO 240690a_100000210545_100011215603 [0,1,0,0,0,0|2,0,0]=3 1608 B11R0.145 CC(C)CCOC(=O)C(C)O[13CH3] 34a_200000034679_200025704644 [0,1,0,0,0,0|1,0,0]=2 1609 B11R0.145 CC(C)CCOC(=O)C(C)O[13CH3] 7a_200000034679_200025704644 [0,1,0,0,0,0|1,0,0]=2 1610 B11R0.145 CC(C)CNNC(=O)C(O)CO 22a_100000696102_100011215603 [0,1,0,0,0,0|3,0,0]=4 1611 B11R0.145 CC(C)OCCC(=O)C(O)CO 1458a_100011215603_100000211751 [0,1,0,0,0,0|3,0,0]=4 1612 B11R0.145 CC(C)SCCC(=O)C(O)CO 1458a_100011215603_100000730970 [0,1,0,0,0,0|3,0,0]=4 1613 B11R0.145 CC(O)CCCC(=O)C(O)CO 1458a_100011215603_200000718107 [0,1,0,0,0,0|3,0,0]=4 1614 B11R0.145 CC(O)CCNC(=O)C(O)CO 240690a_200000755665_100011215603 [0,1,0,0,0,0|3,0,0]=4 1615 B11R0.145 CCC(=O)C(C)OCCC(C)C 7a_100000210254_100000742827 [0,1,0,0,0,0|1,0,2]=4 1616 B11R0.145 CCC(C)C(=O)C/C=C/C(C)C 1458a_100016292215_100000758301 [0,1,0,0,0,0|1,0,2]=4 1617 B11R0.145 CCC(C)C(=O)C=CCN(C)C 1458a_100000754359_100000758301 [0,1,0,0,0,0|2,0,1]=4 1618 B11R0.145 CCC(C)C(=O)CCC=C(C)C 1458a_100011192722_100011217483 [0,1,0,0,0,0|1,0,2]=4 1619 B11R0.145 CCC(C)C(=O)CCCC(=O)C 1458a_100011192722_100011215641 [0,1,0,0,0,0|2,0,1]=4 1620 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011192722_100011214892 [0,1,0,0,0,0|1,0,0]=2 1621 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000758301 [0,1,0,0,0,0|1,0,0]=2 1622 B11R0.145 CCC(C)C(=O)CCCC(C)O 1458a_100011192722_200000718107 [0,1,0,0,0,0|2,0,0]=3 1623 B11R0.145 CCC(C)C(=O)CCCN(C)C 1458a_100011192722_100000695564 [0,1,0,0,0,0|2,0,0]=3 1624 B11R0.145 CCC(C)C(=O)CCOC(C)C 1458a_100011192722_100000211751 [0,1,0,0,0,0|2,0,0]=3 1625 B11R0.145 CCC(C)C(=O)CCSC(C)C 1458a_100011192722_100000730970 [0,1,0,0,0,0|2,0,0]=3 1626 B11R0.145 CCC(C)C(=O)COCC(C)C 1458a_100011223364_100000758301 [0,1,0,0,0,0|2,0,0]=3 1627 B11R0.145 CCC(C)C(=O)NCC=C(C)C 11a_100000718196_100011192722 [0,1,0,0,0,0|1,0,2]=4 1628 B11R0.145 CCC(C)C(=O)NCC=C(C)C 1626a_100000718196_100011192722 [0,1,0,0,0,0|1,0,2]=4 1629 B11R0.145 CCC(C)C(=O)NCC=C(C)C 527a_100000718196_100011192722 [0,1,0,0,0,0|1,0,2]=4 1630 B11R0.145 CCC(C)C(=O)NCCC(C)C 11a_100000210545_100011192722 [0,1,0,0,0,0|1,0,0]=2 1631 B11R0.145 CCC(C)C(=O)NCCC(C)C 1626a_100000210545_100011192722 [0,1,0,0,0,0|1,0,0]=2 1632 B11R0.145 CCC(C)C(=O)NCCC(C)C 240690a_100000210545_100011192722 [0,1,0,0,0,0|1,0,0]=2 1633 B11R0.145 CCC(C)C(=O)NCCC(C)C 527a_100000210545_100011192722 [0,1,0,0,0,0|1,0,0]=2 1634 B11R0.145 CCC(C)C(=O)NCCC(C)O 240690a_200000755665_100011192722 [0,1,0,0,0,0|2,0,0]=3 1635 B11R0.145 CCC(C)C(=O)NCCC(C)O 527a_200000755665_100011192722 [0,1,0,0,0,0|2,0,0]=3 1636 B11R0.145 CCC(C)C(=O)NCCN(C)C 240690a_100000210585_100011192722 [0,1,0,0,0,0|2,0,0]=3 1637 B11R0.145 CCC(C)C(=O)NCCN(C)C 527a_100000210585_100011192722 [0,1,0,0,0,0|2,0,0]=3 1638 B11R0.145 CCC(C)C(=O)NN=CC(C)C 4a_100000740736_100000210432 [0,1,0,0,0,0|2,0,1]=4 1639 B11R0.145 CCC(C)C(=O)NNCC(C)C 22a_100000696102_100011192722 [0,1,0,0,0,0|2,0,0]=3 1640 B11R0.145 CCC(C)C(=O)NNCC(C)O 22a_200000730056_100011192722 [0,1,0,0,0,0|3,0,0]=4 1641 B11R0.145 CCC(C)C(C)NCCC(C)C 269862a_100000210545_100000210599 [0,1,0,0,0,0|2,0,1]=4 1642 B11R0.145 CCC(C)C(C)NCCC(C)C 270004a_100000210545_100000210599 [0,1,0,0,0,0|2,0,1]=4 1643 B11R0.145 CCC(C)C(C)OCCC(C)C 7a_100011215189_100000210626 [0,1,0,0,0,0|1,0,1]=3 1644 B11R0.145 CCC(C)C(C)OCCC(C)O 7a_100011215189_100012276601 [0,1,0,0,0,0|2,0,1]=4 1645 B11R0.145 CCC(C)C(C)OCCN(C)C 7a_100011215189_100000755713 [0,1,0,0,0,0|2,0,1]=4 1646 B11R0.145 CCC(C)N(C)CCCC(C)C 2230a_100000741768_100011214892 [0,1,0,0,0,0|3,0,0]=4 1647 B11R0.145 CCC(C)N(C)CCCC(C)C 269982a_100000741768_100011214892 [0,1,0,0,0,0|3,0,0]=4 1648 B11R0.145 CCC(O)C(=O)CCC=C(C)C 1458a_100011196387_100011217483 [0,1,0,0,0,0|1,0,2]=4 1649 B11R0.145 CCC(O)C(=O)CCCC(=O)C 1458a_100011196387_100011215641 [0,1,0,0,0,0|2,0,1]=4 1650 B11R0.145 CCC(O)C(=O)CCCC(C)C 1458a_100011196387_100011214892 [0,1,0,0,0,0|1,0,0]=2 1651 B11R0.145 CCC(O)C(=O)CCCC(C)O 1458a_100011196387_200000718107 [0,1,0,0,0,0|2,0,0]=3 1652 B11R0.145 CCC(O)C(=O)CCCN(C)C 1458a_100011196387_100000695564 [0,1,0,0,0,0|2,0,0]=3 1653 B11R0.145 CCC(O)C(=O)CCOC(C)C 1458a_100011196387_100000211751 [0,1,0,0,0,0|2,0,0]=3 1654 B11R0.145 CCC(O)C(=O)CCSC(C)C 1458a_100011196387_100000730970 [0,1,0,0,0,0|2,0,0]=3 1655 B11R0.145 CCC(O)C(=O)NCCC(C)C 240690a_100000210545_100011196387 [0,1,0,0,0,0|1,0,0]=2 1656 B11R0.145 CCC(O)C(=O)NCCC(C)O 240690a_200000755665_100011196387 [0,1,0,0,0,0|2,0,0]=3 1657 B11R0.145 CCC(O)C(=O)NCCN(C)C 240690a_100000210585_100011196387 [0,1,0,0,0,0|2,0,0]=3 1658 B11R0.145 CCC(O)C(=O)NNCC(C)C 22a_100000696102_100011196387 [0,1,0,0,0,0|2,0,0]=3 1659 B11R0.145 CCC(O)C(=O)NNCC(C)O 22a_200000730056_100011196387 [0,1,0,0,0,0|3,0,0]=4 1660 B11R0.145 CCN(C)C(=O)CCCC(C)C 11a_100000225621_100011216857 [0,1,0,0,0,0|2,0,0]=3 1661 B11R0.145 CCN(C)C(=O)CCCC(C)C 1626a_100000225621_100011216857 [0,1,0,0,0,0|2,0,0]=3 1662 B11R0.145 CCN(C)C(=O)CCCC(C)C 240690a_100000225621_100011216857 [0,1,0,0,0,0|2,0,0]=3 1663 B11R0.145 CCN(C)C(=O)CCCC(C)C 527a_100000225621_100011216857 [0,1,0,0,0,0|2,0,0]=3 1664 B11R0.145 CCN(C)C(=O)CCCC(C)O 1626a_100000225621_100000761597 [0,1,0,0,0,0|3,0,0]=4 1665 B11R0.145 CCN(C)C(=O)CCCC(C)O 527a_100000225621_100000761597 [0,1,0,0,0,0|3,0,0]=4 1666 B11R0.145 CCN(C)C(=O)CCCN(C)C 11a_100000225621_100000740757 [0,1,0,0,0,0|3,0,0]=4 1667 B11R0.145 CCN(C)C(=O)CCCN(C)C 240690a_100000225621_100000740757 [0,1,0,0,0,0|3,0,0]=4 1668 B11R0.145 CCN(C)C(=O)CNCC(C)C 2230a_100000210953_100000738999 [0,1,0,0,0,0|3,0,0]=4 1669 B11R0.145 CCN(C)C(=O)CNCC(C)C 34a_100000210953_100000738999 [0,1,0,0,0,0|3,0,0]=4 1670 B11R0.145 CCN(C)C(=O)COCC(C)C 11a_100000225621_100011223364 [0,1,0,0,0,0|3,0,0]=4 1671 B11R0.145 CCN(C)C(=O)COCC(C)C 1626a_100000225621_100011223364 [0,1,0,0,0,0|3,0,0]=4 1672 B11R0.145 CCN(C)C(=O)COCC(C)C 240690a_100000225621_100011223364 [0,1,0,0,0,0|3,0,0]=4 1673 B11R0.145 CCN(C)C(=O)COCC(C)C 34a_100000210257_100000738999 [0,1,0,0,0,0|3,0,0]=4 1674 B11R0.145 CCN(C)C(=O)COCC(C)C 527a_100000225621_100011223364 [0,1,0,0,0,0|3,0,0]=4 1675 B11R0.145 CCN(C)C(=O)CSCC(C)C 62a_100000210624_100000738999 [0,1,0,0,0,0|3,0,0]=4 1676 B11R0.145 CCN(C)C(=O)CSCC(C)C 62a_100000738999_100000210760 [0,1,0,0,0,0|3,0,0]=4 1677 B11R0.145 CCN(C)C(=O)NCCC(C)C 2708a_100000210545_100000225621 [0,1,0,0,0,0|2,0,0]=3 1678 B11R0.145 CCN(C)C(=O)NCCC(C)C 273464a_100000210545_100000225621 [0,1,0,0,0,0|2,0,0]=3 1679 B11R0.145 CCN(C)C(=O)NCCC(C)O 273464a_200000755665_100000225621 [0,1,0,0,0,0|3,0,0]=4 1680 B11R0.145 CCN(C)C(=O)NCCN(C)C 273464a_100000210585_100000225621 [0,1,0,0,0,0|3,0,0]=4 1681 B11R0.145 CN(C)CCCC(=O)C(O)CO 1458a_100011215603_100000695564 [0,1,0,0,0,0|3,0,0]=4 1682 B11R0.145 CN(C)CCNC(=O)C(O)CO 240690a_100000210585_100011215603 [0,1,0,0,0,0|3,0,0]=4 1683 B11R0.145 CNC(=O)C(=O)CCCC(C)C 1458a_100011218921_100011214892 [0,1,0,0,0,0|2,0,1]=4 1684 B11R0.145 CNC(=O)C(=O)NCCC(C)C 1626a_100000210545_100011218921 [0,1,0,0,0,0|2,0,1]=4 1685 B11R0.145 CNC(=O)C(=O)NCCC(C)C 240690a_100000210545_100011218921 [0,1,0,0,0,0|2,0,1]=4 1686 B11R0.145 CNC(=O)C(=O)NCCC(C)C 527a_100000210545_100011218921 [0,1,0,0,0,0|2,0,1]=4 1687 B11R0.145 CNC(C)C(=O)NCCC(C)C 2230a_106832991635_100000735922 [0,1,0,0,0,0|2,0,0]=3 1688 B11R0.145 CNC(C)C(=O)NCCC(C)C 34a_100102657272_100000735922 [0,1,0,0,0,0|2,0,0]=3 1689 B11R0.145 CNC(C)C(=O)NCCC(C)C 7a_106832991635_100000735922 [0,1,0,0,0,0|2,0,0]=3 1690 B11R0.145 COC(=O)C(=O)NCCC(C)C 11a_100000210545_100000024059 [0,1,0,0,0,0|2,0,1]=4 1691 B11R0.145 COC(=O)C(=O)NCCC(C)C 1626a_100000210545_100000024059 [0,1,0,0,0,0|2,0,1]=4 1692 B11R0.145 COC(=O)C(=O)NCCC(C)C 240690a_100000210545_100000024059 [0,1,0,0,0,0|2,0,1]=4 1693 B11R0.145 COC(=O)C(=O)NCCC(C)C 527a_100000210545_100000024059 [0,1,0,0,0,0|2,0,1]=4 1694 B11R0.145 COC(C)C(=O)CCCC(C)C 1458a_100000743197_100011214892 [0,1,0,0,0,0|2,0,0]=3 1695 B11R0.145 COC(C)C(=O)CCCC(C)O 1458a_100000743197_200000718107 [0,1,0,0,0,0|3,0,0]=4 1696 B11R0.145 COC(C)C(=O)CCCN(C)C 1458a_100000743197_100000695564 [0,1,0,0,0,0|3,0,0]=4 1697 B11R0.145 COC(C)C(=O)CCOC(C)C 1458a_100000743197_100000211751 [0,1,0,0,0,0|3,0,0]=4 1698 B11R0.145 COC(C)C(=O)CCSC(C)C 1458a_100000743197_100000730970 [0,1,0,0,0,0|3,0,0]=4 1699 B11R0.145 COC(C)C(=O)NCCC(C)C 11a_100000210545_100000743197 [0,1,0,0,0,0|2,0,0]=3 1700 B11R0.145 COC(C)C(=O)NCCC(C)C 1626a_100000210545_100000743197 [0,1,0,0,0,0|2,0,0]=3 1701 B11R0.145 COC(C)C(=O)NCCC(C)C 240690a_100000210545_100000743197 [0,1,0,0,0,0|2,0,0]=3 1702 B11R0.145 COC(C)C(=O)NCCC(C)C 34a_100138415774_100000735922 [0,1,0,0,0,0|2,0,0]=3 1703 B11R0.145 COC(C)C(=O)NCCC(C)C 527a_100000210545_100000743197 [0,1,0,0,0,0|2,0,0]=3 1704 B11R0.145 COC(C)C(=O)NCCC(C)O 240690a_200000755665_100000743197 [0,1,0,0,0,0|3,0,0]=4 1705 B11R0.145 COC(C)C(=O)NCCC(C)O 527a_200000755665_100000743197 [0,1,0,0,0,0|3,0,0]=4 1706 B11R0.145 COC(C)C(=O)NCCN(C)C 240690a_100000210585_100000743197 [0,1,0,0,0,0|3,0,0]=4 1707 B11R0.145 COC(C)C(=O)NCCN(C)C 527a_100000210585_100000743197 [0,1,0,0,0,0|3,0,0]=4 1708 B11R0.145 COC(C)C(=O)NNCC(C)C 22a_100000696102_100000743197 [0,1,0,0,0,0|3,0,0]=4 1709 B11R0.145 COC(C)C(=O)OCCC(C)C 34a_200000034679_200000210301 [0,1,0,0,0,0|1,0,0]=2 1710 B11R0.145 COC(C)C(=O)OCCC(C)C 7a_200000034679_200000210301 [0,1,0,0,0,0|1,0,0]=2 1711 B11R0.145 CSC(C)C(=O)CCCC(C)C 1458a_100000149566_100011214892 [0,1,0,0,0,0|2,0,0]=3 1712 B11R0.145 CSC(C)C(=O)CCCC(C)O 1458a_100000149566_200000718107 [0,1,0,0,0,0|3,0,0]=4 1713 B11R0.145 CSC(C)C(=O)CCCN(C)C 1458a_100000149566_100000695564 [0,1,0,0,0,0|3,0,0]=4 1714 B11R0.145 CSC(C)C(=O)CCOC(C)C 1458a_100000149566_100000211751 [0,1,0,0,0,0|3,0,0]=4 1715 B11R0.145 CSC(C)C(=O)CCSC(C)C 1458a_100000149566_100000730970 [0,1,0,0,0,0|3,0,0]=4 1716 B11R0.145 CSC(C)C(=O)NCCC(C)C 11a_100000210545_100000149566 [0,1,0,0,0,0|2,0,0]=3 1717 B11R0.145 CSC(C)C(=O)NCCC(C)C 1626a_100000210545_100000149566 [0,1,0,0,0,0|2,0,0]=3 1718 B11R0.145 CSC(C)C(=O)NCCC(C)C 240690a_100000210545_100000149566 [0,1,0,0,0,0|2,0,0]=3 1719 B11R0.145 CSC(C)C(=O)NCCC(C)C 527a_100000210545_100000149566 [0,1,0,0,0,0|2,0,0]=3 1720 B11R0.145 CSC(C)C(=O)NCCC(C)C 62a_100000735922_200000210301 [0,1,0,0,0,0|2,0,0]=3 1721 B11R0.145 CSC(C)C(=O)NCCC(C)C 62a_200000210301_100000735922 [0,1,0,0,0,0|2,0,0]=3 1722 B11R0.145 CSC(C)C(=O)NCCC(C)O 240690a_200000755665_100000149566 [0,1,0,0,0,0|3,0,0]=4 1723 B11R0.145 CSC(C)C(=O)NCCC(C)O 527a_200000755665_100000149566 [0,1,0,0,0,0|3,0,0]=4 1724 B11R0.145 CSC(C)C(=O)NCCN(C)C 240690a_100000210585_100000149566 [0,1,0,0,0,0|3,0,0]=4 1725 B11R0.145 CSC(C)C(=O)NCCN(C)C 527a_100000210585_100000149566 [0,1,0,0,0,0|3,0,0]=4 1726 B11R0.145 CSC(C)C(=O)NNCC(C)C 22a_100000696102_100000149566 [0,1,0,0,0,0|3,0,0]=4 1727 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100000692101_100011214892 [0,1,0,0,0,0|1,0,1]=3 1728 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100011216857_100000753159 [0,1,0,0,0,0|1,0,1]=3 1729 B11R0.147 C#CCCC(=O)CCCC(C)O 1458a_100000692101_200000718107 [0,1,0,0,0,0|2,0,1]=4 1730 B11R0.147 C#CCCC(=O)CCCN(C)C 1458a_100000692101_100000695564 [0,1,0,0,0,0|2,0,1]=4 1731 B11R0.147 C#CCCC(=O)CCOC(C)C 1458a_100000692101_100000211751 [0,1,0,0,0,0|2,0,1]=4 1732 B11R0.147 C#CCCC(=O)CCOC(C)C 34a_100011064465_100000210206 [0,1,0,0,0,0|2,0,1]=4 1733 B11R0.147 C#CCCC(=O)CCOC(C)C 7a_100011064465_100000210206 [0,1,0,0,0,0|2,0,1]=4 1734 B11R0.147 C#CCCC(=O)CCSC(C)C 1458a_100000692101_100000730970 [0,1,0,0,0,0|2,0,1]=4 1735 B11R0.147 C#CCCC(=O)COCC(C)C 1458a_100011223364_100000753159 [0,1,0,0,0,0|2,0,1]=4 1736 B11R0.147 C#CCCC(=O)NCCC(C)C 11a_100000210545_100000692101 [0,1,0,0,0,0|1,0,1]=3 1737 B11R0.147 C#CCCC(=O)NCCC(C)C 1626a_100000210545_100000692101 [0,1,0,0,0,0|1,0,1]=3 1738 B11R0.147 C#CCCC(=O)NCCC(C)C 240690a_100000210545_100000692101 [0,1,0,0,0,0|1,0,1]=3 1739 B11R0.147 C#CCCC(=O)NCCC(C)C 527a_100000210545_100000692101 [0,1,0,0,0,0|1,0,1]=3 1740 B11R0.147 C#CCCC(=O)NCCC(C)O 240690a_200000755665_100000692101 [0,1,0,0,0,0|2,0,1]=4 1741 B11R0.147 C#CCCC(=O)NCCC(C)O 527a_200000755665_100000692101 [0,1,0,0,0,0|2,0,1]=4 1742 B11R0.147 C#CCCC(=O)NCCN(C)C 240690a_100000210585_100000692101 [0,1,0,0,0,0|2,0,1]=4 1743 B11R0.147 C#CCCC(=O)NCCN(C)C 527a_100000210585_100000692101 [0,1,0,0,0,0|2,0,1]=4 1744 B11R0.147 C#CCCC(=O)NNCC(C)C 22a_100000696102_100000692101 [0,1,0,0,0,0|2,0,1]=4 1745 B11R0.147 C#CCNC(=O)CCCC(C)C 11a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 1746 B11R0.147 C#CCNC(=O)CCCC(C)C 1626a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 1747 B11R0.147 C#CCNC(=O)CCCC(C)C 240690a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 1748 B11R0.147 C#CCNC(=O)CCCC(C)C 527a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 1749 B11R0.147 C#CCNC(=O)NCCC(C)C 2708a_100000210545_100000212058 [0,1,0,0,0,0|1,0,2]=4 1750 B11R0.147 C#CCNC(=O)NCCC(C)C 2708a_100000212058_100000210545 [0,1,0,0,0,0|1,0,2]=4 1751 B11R0.147 C#CCNC(=O)NCCC(C)C 273464a_100000210545_100000212058 [0,1,0,0,0,0|1,0,2]=4 1752 B11R0.147 C#CCNC(=O)NCCC(C)C 273464a_100000212058_100000210545 [0,1,0,0,0,0|1,0,2]=4 1753 B11R0.147 C#CCNC(=O)NCCC(C)C 512a_100000210545_100000212058 [0,1,0,0,0,0|1,0,2]=4 1754 B11R0.147 C#CCNC(=O)NCCC(C)C 512a_100000212058_100000210545 [0,1,0,0,0,0|1,0,2]=4 1755 B11R0.147 C/C=C/CC(=O)CCCC(C)C 1458a_100011216857_100102629194 [0,1,0,0,0,0|1,0,1]=3 1756 B11R0.147 C/C=C/CC(=O)COCC(C)C 1458a_100011223364_100102629194 [0,1,0,0,0,0|2,0,1]=4 1757 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [0,1,0,0,0,0|1,0,1]=3 1758 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [0,1,0,0,0,0|1,0,1]=3 1759 B11R0.147 C=CCCC(=O)CCCC(C)O 1458a_100000749702_200000718107 [0,1,0,0,0,0|2,0,1]=4 1760 B11R0.147 C=CCCC(=O)CCCN(C)C 1458a_100000749702_100000695564 [0,1,0,0,0,0|2,0,1]=4 1761 B11R0.147 C=CCCC(=O)CCOC(C)C 1458a_100000749702_100000211751 [0,1,0,0,0,0|2,0,1]=4 1762 B11R0.147 C=CCCC(=O)CCSC(C)C 1458a_100000749702_100000730970 [0,1,0,0,0,0|2,0,1]=4 1763 B11R0.147 C=CCCC(=O)COCC(C)C 1458a_100011223364_100000754431 [0,1,0,0,0,0|2,0,1]=4 1764 B11R0.147 C=CCCC(=O)NCCC(C)C 11a_100000210545_100000749702 [0,1,0,0,0,0|1,0,1]=3 1765 B11R0.147 C=CCCC(=O)NCCC(C)C 1626a_100000210545_100000749702 [0,1,0,0,0,0|1,0,1]=3 1766 B11R0.147 C=CCCC(=O)NCCC(C)C 240690a_100000210545_100000749702 [0,1,0,0,0,0|1,0,1]=3 1767 B11R0.147 C=CCCC(=O)NCCC(C)C 527a_100000210545_100000749702 [0,1,0,0,0,0|1,0,1]=3 1768 B11R0.147 C=CCCC(=O)NCCC(C)O 240690a_200000755665_100000749702 [0,1,0,0,0,0|2,0,1]=4 1769 B11R0.147 C=CCCC(=O)NCCC(C)O 527a_200000755665_100000749702 [0,1,0,0,0,0|2,0,1]=4 1770 B11R0.147 C=CCCC(=O)NCCN(C)C 240690a_100000210585_100000749702 [0,1,0,0,0,0|2,0,1]=4 1771 B11R0.147 C=CCCC(=O)NCCN(C)C 527a_100000210585_100000749702 [0,1,0,0,0,0|2,0,1]=4 1772 B11R0.147 C=CCCC(=O)NNCC(C)C 22a_100000696102_100000749702 [0,1,0,0,0,0|2,0,1]=4 1773 B11R0.147 C=CCCC(C)OCCC(C)C 34a_100000765329_100000210312 [0,1,0,0,0,0|1,0,2]=4 1774 B11R0.147 C=CCCC(C)OCCC(C)C 7a_100000765329_100000210626 [0,1,0,0,0,0|1,0,2]=4 1775 B11R0.147 C=CCNC(=O)CCCC(C)C 1626a_100020586998_100011216857 [0,1,0,0,0,0|1,0,2]=4 1776 B11R0.147 C=CCNC(=O)CCCC(C)C 240690a_100020586998_100011216857 [0,1,0,0,0,0|1,0,2]=4 1777 B11R0.147 C=CCNC(=O)CCCC(C)C 527a_100020586998_100011216857 [0,1,0,0,0,0|1,0,2]=4 1778 B11R0.147 C=CCNC(=O)NCCC(C)C 2708a_100000210545_100020586998 [0,1,0,0,0,0|1,0,2]=4 1779 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100000210545_100020586998 [0,1,0,0,0,0|1,0,2]=4 1780 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100020586998_100000210545 [0,1,0,0,0,0|1,0,2]=4 1781 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100000210545_100020586998 [0,1,0,0,0,0|1,0,2]=4 1782 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100020586998_100000210545 [0,1,0,0,0,0|1,0,2]=4 1783 B11R0.147 CC#CCC(=O)CCCC(C)C 1458a_100011216857_100000748600 [0,1,0,0,0,0|1,0,1]=3 1784 B11R0.147 CC#CCC(=O)COCC(C)C 1458a_100011223364_100000748600 [0,1,0,0,0,0|2,0,1]=4 1785 B11R0.147 CC(C)/C=C/CC(=O)CCCF 1458a_100016292215_100011934791 [0,1,0,0,0,0|1,0,2]=4 1786 B11R0.147 CC(C)/C=C/CC(=O)CCCO 1458a_100016292215_100011215043 [0,1,0,0,0,0|1,0,2]=4 1787 B11R0.147 CC(C)CCCC(=O)C#CCO 1458a_100000049017_100011214892 [0,1,0,0,0,0|1,0,2]=4 1788 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011216857_100011215226 [0,1,0,0,0,0|1,0,1]=3 1789 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011934036_100011214892 [0,1,0,0,0,0|1,0,1]=3 1790 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,1,0,0,0,0|1,0,0]=2 1791 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,1,0,0,0,0|1,0,0]=2 1792 B11R0.147 CC(C)CCCC(=O)NCC#N 1626a_100000734998_100011216857 [0,1,0,0,0,0|2,0,1]=4 1793 B11R0.147 CC(C)CCCC(=O)NCC#N 527a_100000734998_100011216857 [0,1,0,0,0,0|2,0,1]=4 1794 B11R0.147 CC(C)CCCC(=O)NCCF 11a_100000724931_100011216857 [0,1,0,0,0,0|2,0,0]=3 1795 B11R0.147 CC(C)CCCC(=O)NCCF 1626a_100000724931_100011216857 [0,1,0,0,0,0|2,0,0]=3 1796 B11R0.147 CC(C)CCCC(=O)NCCF 240690a_100000724931_100011216857 [0,1,0,0,0,0|2,0,0]=3 1797 B11R0.147 CC(C)CCCC(=O)NCCF 527a_100000724931_100011216857 [0,1,0,0,0,0|2,0,0]=3 1798 B11R0.147 CC(C)CCCC(=O)NCCO 240690a_100000210304_100011216857 [0,1,0,0,0,0|2,0,0]=3 1799 B11R0.147 CC(C)CCCC(=O)NCCO 527a_100000210304_100011216857 [0,1,0,0,0,0|2,0,0]=3 1800 B11R0.147 CC(C)CCCC(C)CCN[13CH3] 2230a_102516457229_200025704644 [0,1,0,0,0,0|2,0,1]=4 1801 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 34a_100000015991_200025704644 [0,1,0,0,0,0|2,0,1]=4 1802 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 7a_100000015991_200025704644 [0,1,0,0,0,0|2,0,1]=4 1803 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_100009816328_200025704644 [0,1,0,0,0,0|2,0,1]=4 1804 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_200025704644_100009816328 [0,1,0,0,0,0|2,0,1]=4 1805 B11R0.147 CC(C)CCCN(C)CCCO 2230a_100000213112_100011214892 [0,1,0,0,0,0|3,0,0]=4 1806 B11R0.147 CC(C)CCCN(C)CCCO 269982a_100000213112_100011214892 [0,1,0,0,0,0|3,0,0]=4 1807 B11R0.147 CC(C)CCNC(=O)CCC#N 11a_100000210545_100011934036 [0,1,0,0,0,0|1,0,1]=3 1808 B11R0.147 CC(C)CCNC(=O)CCC#N 1626a_100000210545_100011934036 [0,1,0,0,0,0|1,0,1]=3 1809 B11R0.147 CC(C)CCNC(=O)CCC#N 240690a_100000210545_100011934036 [0,1,0,0,0,0|1,0,1]=3 1810 B11R0.147 CC(C)CCNC(=O)CCC#N 527a_100000210545_100011934036 [0,1,0,0,0,0|1,0,1]=3 1811 B11R0.147 CC(C)CCNC(=O)CN=[N+]=[N-] 11a_100000210545_100000751907 [0,1,0,0,0,0|3,0,0]=4 1812 B11R0.147 CC(C)CCNC(=O)CN=[N+]=[N-] 240690a_100000210545_100000751907 [0,1,0,0,0,0|3,0,0]=4 1813 B11R0.147 CC(C)CCNC(=O)NCC#N 2708a_100000734998_100000210545 [0,1,0,0,0,0|2,0,1]=4 1814 B11R0.147 CC(C)CCNC(=O)NCC#N 273464a_100000210545_100000734998 [0,1,0,0,0,0|2,0,1]=4 1815 B11R0.147 CC(C)CCNC(=O)NCC#N 273464a_100000734998_100000210545 [0,1,0,0,0,0|2,0,1]=4 1816 B11R0.147 CC(C)CCNC(=O)NCC#N 512a_100000210545_100000734998 [0,1,0,0,0,0|2,0,1]=4 1817 B11R0.147 CC(C)CCNC(=O)NCC#N 512a_100000734998_100000210545 [0,1,0,0,0,0|2,0,1]=4 1818 B11R0.147 CC(C)CCNC(=O)NCCF 2708a_100000210545_100000724931 [0,1,0,0,0,0|2,0,0]=3 1819 B11R0.147 CC(C)CCNC(=O)NCCF 273464a_100000210545_100000724931 [0,1,0,0,0,0|2,0,0]=3 1820 B11R0.147 CC(C)CCNC(=O)NCCF 273464a_100000724931_100000210545 [0,1,0,0,0,0|2,0,0]=3 1821 B11R0.147 CC(C)CCNC(=O)NCCF 512a_100000210545_100000724931 [0,1,0,0,0,0|2,0,0]=3 1822 B11R0.147 CC(C)CCNC(=O)NCCO 2708a_100000210545_100000210304 [0,1,0,0,0,0|2,0,0]=3 1823 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210304_100000210545 [0,1,0,0,0,0|2,0,0]=3 1824 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210545_100000210304 [0,1,0,0,0,0|2,0,0]=3 1825 B11R0.147 CC(C)CCNC(=O)NCCO 512a_100000210545_100000210304 [0,1,0,0,0,0|2,0,0]=3 1826 B11R0.147 CC(C)CCOC(C)CCCCl 34a_200000718107_100000210312 [0,1,0,0,0,0|1,0,1]=3 1827 B11R0.147 CC(C)CCOC(C)CCCCl 7a_200000718107_100000210626 [0,1,0,0,0,0|1,0,1]=3 1828 B11R0.147 CC(C)CNCC(=O)NCCF 2230a_100000725713_100000210760 [0,1,0,0,0,0|3,0,0]=4 1829 B11R0.147 CC(C)CNCC(=O)NCCF 270004a_100000725713_100000210432 [0,1,0,0,0,0|3,0,0]=4 1830 B11R0.147 CC(C)CNNC(=O)CCC#N 22a_100000696102_100011934036 [0,1,0,0,0,0|2,0,1]=4 1831 B11R0.147 CC(C)CNNC(=O)NCCF 273464a_100000724931_100000696102 [0,1,0,0,0,0|3,0,0]=4 1832 B11R0.147 CC(C)CNNC(=O)NCCF 512a_100000696102_100000724931 [0,1,0,0,0,0|3,0,0]=4 1833 B11R0.147 CC(C)CNNC(=O)NCCO 273464a_100000210304_100000696102 [0,1,0,0,0,0|3,0,0]=4 1834 B11R0.147 CC(C)CNNC(=O)NCCO 512a_100000696102_100000210304 [0,1,0,0,0,0|3,0,0]=4 1835 B11R0.147 CC(C)COCC(=O)CCC#N 1458a_100011223364_100011215226 [0,1,0,0,0,0|2,0,1]=4 1836 B11R0.147 CC(C)COCC(=O)CCCF 1458a_100011223364_100011934791 [0,1,0,0,0,0|2,0,0]=3 1837 B11R0.147 CC(C)COCC(=O)CCCO 1458a_100011223364_100011215043 [0,1,0,0,0,0|2,0,0]=3 1838 B11R0.147 CC(C)COCC(=O)NCCF 11a_100000724931_100011223364 [0,1,0,0,0,0|3,0,0]=4 1839 B11R0.147 CC(C)COCC(=O)NCCF 1626a_100000724931_100011223364 [0,1,0,0,0,0|3,0,0]=4 1840 B11R0.147 CC(C)COCC(=O)NCCF 240690a_100000724931_100011223364 [0,1,0,0,0,0|3,0,0]=4 1841 B11R0.147 CC(C)COCC(=O)NCCF 527a_100000724931_100011223364 [0,1,0,0,0,0|3,0,0]=4 1842 B11R0.147 CC(C)COCC(=O)NCCO 240690a_100000210304_100011223364 [0,1,0,0,0,0|3,0,0]=4 1843 B11R0.147 CC(C)COCC(=O)NCCO 527a_100000210304_100011223364 [0,1,0,0,0,0|3,0,0]=4 1844 B11R0.147 CC(C)OCCC(=O)CCC#N 1458a_100011934036_100000211751 [0,1,0,0,0,0|2,0,1]=4 1845 B11R0.147 CC(C)OCOC(C)CCCCl 34a_200000718107_100000709892 [0,1,0,0,0,0|2,0,1]=4 1846 B11R0.147 CC(C)SCCC(=O)CCC#N 1458a_100011934036_100000730970 [0,1,0,0,0,0|2,0,1]=4 1847 B11R0.147 CC(CCCCl)OCCN(C)C 7a_200000718107_100000755713 [0,1,0,0,0,0|2,0,1]=4 1848 B11R0.147 CC(O)CCCC(=O)CCC#N 1458a_100011934036_200000718107 [0,1,0,0,0,0|2,0,1]=4 1849 B11R0.147 CC(O)CCCC(=O)NCCF 1626a_100000724931_100000761597 [0,1,0,0,0,0|3,0,0]=4 1850 B11R0.147 CC(O)CCCC(=O)NCCF 527a_100000724931_100000761597 [0,1,0,0,0,0|3,0,0]=4 1851 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [0,1,0,0,0,0|3,0,0]=4 1852 B11R0.147 CC(O)CCNC(=O)CCC#N 240690a_200000755665_100011934036 [0,1,0,0,0,0|2,0,1]=4 1853 B11R0.147 CC(O)CCNC(=O)CCC#N 527a_200000755665_100011934036 [0,1,0,0,0,0|2,0,1]=4 1854 B11R0.147 CC(O)CCNC(=O)NCCF 273464a_200000755665_100000724931 [0,1,0,0,0,0|3,0,0]=4 1855 B11R0.147 CC(O)CCNC(=O)NCCF 512a_200000755665_100000724931 [0,1,0,0,0,0|3,0,0]=4 1856 B11R0.147 CC(O)CCNC(=O)NCCO 273464a_200000755665_100000210304 [0,1,0,0,0,0|3,0,0]=4 1857 B11R0.147 CC(O)CCNC(=O)NCCO 512a_200000755665_100000210304 [0,1,0,0,0,0|3,0,0]=4 1858 B11R0.147 CC(O)CCOC(C)CCCCl 34a_200000718107_100012276601 [0,1,0,0,0,0|2,0,1]=4 1859 B11R0.147 CC(O)CCOC(C)CCCCl 7a_200000718107_100012276601 [0,1,0,0,0,0|2,0,1]=4 1860 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100011216857_100000070051 [0,1,0,0,0,0|1,0,1]=3 1861 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100121576822_100011214892 [0,1,0,0,0,0|1,0,1]=3 1862 B11R0.147 CC=CCC(=O)CCCC(C)O 1458a_100121576822_200000718107 [0,1,0,0,0,0|2,0,1]=4 1863 B11R0.147 CC=CCC(=O)CCCN(C)C 1458a_100121576822_100000695564 [0,1,0,0,0,0|2,0,1]=4 1864 B11R0.147 CC=CCC(=O)CCOC(C)C 1458a_100121576822_100000211751 [0,1,0,0,0,0|2,0,1]=4 1865 B11R0.147 CC=CCC(=O)CCSC(C)C 1458a_100121576822_100000730970 [0,1,0,0,0,0|2,0,1]=4 1866 B11R0.147 CC=CCC(=O)COCC(C)C 1458a_100011223364_100000070051 [0,1,0,0,0,0|2,0,1]=4 1867 B11R0.147 CC=CCC(=O)NCCC(C)C 11a_100000210545_100121576822 [0,1,0,0,0,0|1,0,1]=3 1868 B11R0.147 CC=CCC(=O)NCCC(C)C 1626a_100000210545_100121576822 [0,1,0,0,0,0|1,0,1]=3 1869 B11R0.147 CC=CCC(=O)NCCC(C)C 240690a_100000210545_100121576822 [0,1,0,0,0,0|1,0,1]=3 1870 B11R0.147 CC=CCC(=O)NCCC(C)C 527a_100000210545_100121576822 [0,1,0,0,0,0|1,0,1]=3 1871 B11R0.147 CC=CCC(=O)NCCC(C)O 240690a_200000755665_100121576822 [0,1,0,0,0,0|2,0,1]=4 1872 B11R0.147 CC=CCC(=O)NCCC(C)O 527a_200000755665_100121576822 [0,1,0,0,0,0|2,0,1]=4 1873 B11R0.147 CC=CCC(=O)NCCN(C)C 240690a_100000210585_100121576822 [0,1,0,0,0,0|2,0,1]=4 1874 B11R0.147 CC=CCC(=O)NCCN(C)C 527a_100000210585_100121576822 [0,1,0,0,0,0|2,0,1]=4 1875 B11R0.147 CC=CCC(=O)NNCC(C)C 22a_100000696102_100121576822 [0,1,0,0,0,0|2,0,1]=4 1876 B11R0.147 CCC#CC(=O)CCCC(C)C 1458a_100011827653_100011214892 [0,1,0,0,0,0|1,0,1]=3 1877 B11R0.147 CCC#CC(=O)CCCC(C)O 1458a_100011827653_200000718107 [0,1,0,0,0,0|2,0,1]=4 1878 B11R0.147 CCC#CC(=O)CCCN(C)C 1458a_100011827653_100000695564 [0,1,0,0,0,0|2,0,1]=4 1879 B11R0.147 CCC#CC(=O)CCOC(C)C 1458a_100011827653_100000211751 [0,1,0,0,0,0|2,0,1]=4 1880 B11R0.147 CCC#CC(=O)CCSC(C)C 1458a_100011827653_100000730970 [0,1,0,0,0,0|2,0,1]=4 1881 B11R0.147 CCC#CC(=O)NNCC(C)C 22a_100000696102_100011827653 [0,1,0,0,0,0|2,0,1]=4 1882 B11R0.147 CCC#CC(C)OCCC(C)C 34a_100000033903_100000210312 [0,1,0,0,0,0|1,0,2]=4 1883 B11R0.147 CCC#CC(C)OCCC(C)C 7a_100000033903_100000210626 [0,1,0,0,0,0|1,0,2]=4 1884 B11R0.147 CCC=CC(=O)CCCC(C)C 1458a_100000212282_100011214892 [0,1,0,0,0,0|1,0,1]=3 1885 B11R0.147 CCC=CC(=O)CCCC(C)O 1458a_100000212282_200000718107 [0,1,0,0,0,0|2,0,1]=4 1886 B11R0.147 CCC=CC(=O)CCCN(C)C 1458a_100000212282_100000695564 [0,1,0,0,0,0|2,0,1]=4 1887 B11R0.147 CCC=CC(=O)CCOC(C)C 1458a_100000212282_100000211751 [0,1,0,0,0,0|2,0,1]=4 1888 B11R0.147 CCC=CC(=O)CCSC(C)C 1458a_100000212282_100000730970 [0,1,0,0,0,0|2,0,1]=4 1889 B11R0.147 CCC=CC(=O)NCCC(C)C 11a_100000210545_100000212282 [0,1,0,0,0,0|1,0,1]=3 1890 B11R0.147 CCC=CC(=O)NCCC(C)C 1626a_100000210545_100000212282 [0,1,0,0,0,0|1,0,1]=3 1891 B11R0.147 CCC=CC(=O)NCCC(C)C 240690a_100000210545_100000212282 [0,1,0,0,0,0|1,0,1]=3 1892 B11R0.147 CCC=CC(=O)NCCC(C)O 240690a_200000755665_100000212282 [0,1,0,0,0,0|2,0,1]=4 1893 B11R0.147 CCC=CC(=O)NCCN(C)C 240690a_100000210585_100000212282 [0,1,0,0,0,0|2,0,1]=4 1894 B11R0.147 CCC=CC(=O)NNCC(C)C 22a_100000696102_100000212282 [0,1,0,0,0,0|2,0,1]=4 1895 B11R0.147 CCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210211 [0,1,0,0,0,0|1,0,2]=4 1896 B11R0.147 CCCCC(=O)C=CCN(C)C 1458a_100000754359_100000210211 [0,1,0,0,0,0|2,0,1]=4 1897 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [0,1,0,0,0,0|1,0,2]=4 1898 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,1,0,0,0,0|2,0,1]=4 1899 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,1,0,0,0,0|1,0,0]=2 1900 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,1,0,0,0,0|1,0,0]=2 1901 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,1,0,0,0,0|2,0,0]=3 1902 B11R0.147 CCCCC(=O)CCCN(C)C 1458a_100000210183_100000695564 [0,1,0,0,0,0|2,0,0]=3 1903 B11R0.147 CCCCC(=O)CCOC(C)C 1458a_100000210183_100000211751 [0,1,0,0,0,0|2,0,0]=3 1904 B11R0.147 CCCCC(=O)CCSC(C)C 1458a_100000210183_100000730970 [0,1,0,0,0,0|2,0,0]=3 1905 B11R0.147 CCCCC(=O)COCC(C)C 1458a_100011223364_100000210211 [0,1,0,0,0,0|2,0,0]=3 1906 B11R0.147 CCCCC(=O)NCC=C(C)C 11a_100000718196_100000210183 [0,1,0,0,0,0|1,0,2]=4 1907 B11R0.147 CCCCC(=O)NCC=C(C)C 1626a_100000718196_100000210183 [0,1,0,0,0,0|1,0,2]=4 1908 B11R0.147 CCCCC(=O)NCC=C(C)C 527a_100000718196_100000210183 [0,1,0,0,0,0|1,0,2]=4 1909 B11R0.147 CCCCC(=O)NCCC(C)C 11a_100000210545_100000210183 [0,1,0,0,0,0|1,0,0]=2 1910 B11R0.147 CCCCC(=O)NCCC(C)C 1626a_100000210545_100000210183 [0,1,0,0,0,0|1,0,0]=2 1911 B11R0.147 CCCCC(=O)NCCC(C)C 240690a_100000210545_100000210183 [0,1,0,0,0,0|1,0,0]=2 1912 B11R0.147 CCCCC(=O)NCCC(C)C 527a_100000210545_100000210183 [0,1,0,0,0,0|1,0,0]=2 1913 B11R0.147 CCCCC(=O)NCCC(C)O 240690a_200000755665_100000210183 [0,1,0,0,0,0|2,0,0]=3 1914 B11R0.147 CCCCC(=O)NCCC(C)O 527a_200000755665_100000210183 [0,1,0,0,0,0|2,0,0]=3 1915 B11R0.147 CCCCC(=O)NCCN(C)C 240690a_100000210585_100000210183 [0,1,0,0,0,0|2,0,0]=3 1916 B11R0.147 CCCCC(=O)NCCN(C)C 527a_100000210585_100000210183 [0,1,0,0,0,0|2,0,0]=3 1917 B11R0.147 CCCCC(=O)NN=CC(C)C 4a_100000189769_100000210432 [0,1,0,0,0,0|2,0,1]=4 1918 B11R0.147 CCCCC(=O)NNCC(C)C 22a_100000696102_100000210183 [0,1,0,0,0,0|2,0,0]=3 1919 B11R0.147 CCCCC(=O)NNCC(C)O 22a_200000730056_100000210183 [0,1,0,0,0,0|3,0,0]=4 1920 B11R0.147 CCCCC(C)NCCC(C)C 2230a_100000126638_100000210312 [0,1,0,0,0,0|2,0,1]=4 1921 B11R0.147 CCCCC(C)NCCC(C)C 269862a_100000126638_100000185833 [0,1,0,0,0,0|2,0,1]=4 1922 B11R0.147 CCCCC(C)NCCC(C)C 270004a_100000210545_100000210087 [0,1,0,0,0,0|2,0,1]=4 1923 B11R0.147 CCCCC(C)OCCC(C)Br 34a_100009893172_200011215066 [0,1,0,0,0,0|2,0,1]=4 1924 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000210254_200011215066 [0,1,0,0,0,0|1,0,1]=3 1925 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000687866_100000210312 [0,1,0,0,0,0|1,0,1]=3 1926 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000210254_200011215066 [0,1,0,0,0,0|1,0,1]=3 1927 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000687866_100000210626 [0,1,0,0,0,0|1,0,1]=3 1928 B11R0.147 CCCCC(C)OCCC(C)O 34a_100000687866_100012276601 [0,1,0,0,0,0|2,0,1]=4 1929 B11R0.147 CCCCC(C)OCCC(C)O 7a_100000687866_100012276601 [0,1,0,0,0,0|2,0,1]=4 1930 B11R0.147 CCCCC(C)OCCN(C)C 7a_100000687866_100000755713 [0,1,0,0,0,0|2,0,1]=4 1931 B11R0.147 CCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011215066 [0,1,0,0,0,0|2,0,1]=4 1932 B11R0.147 CCCCC(C)OCOC(C)C 34a_100000687866_100000709892 [0,1,0,0,0,0|2,0,1]=4 1933 B11R0.147 CCCCC(C)SCCC(C)C 62a_100000210312_200011215066 [0,1,0,0,0,0|1,1,1]=4 1934 B11R0.147 CCCCC(C)SCCC(C)C 62a_200011215066_100000210312 [0,1,0,0,0,0|1,1,1]=4 1935 B11R0.147 CCCCN(C)CCCC(C)C 2230a_100000207549_100011214892 [0,1,0,0,0,0|3,0,0]=4 1936 B11R0.147 CCCCN(C)CCCC(C)C 269982a_100000207549_100011214892 [0,1,0,0,0,0|3,0,0]=4 1937 B11R0.147 CCCNC(=O)C/C=C/C(C)C 11a_100020643023_100016292215 [0,1,0,0,0,0|1,0,2]=4 1938 B11R0.147 CCCNC(=O)C/C=C/C(C)C 1626a_100020643023_100016292215 [0,1,0,0,0,0|1,0,2]=4 1939 B11R0.147 CCCNC(=O)C/C=C/C(C)C 240690a_100020643023_100016292215 [0,1,0,0,0,0|1,0,2]=4 1940 B11R0.147 CCCNC(=O)C=CCN(C)C 240690a_100020643023_100000754359 [0,1,0,0,0,0|2,0,1]=4 1941 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,1,0,0,0,0|2,0,1]=4 1942 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,1,0,0,0,0|2,0,1]=4 1943 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,1,0,0,0,0|2,0,1]=4 1944 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [0,1,0,0,0,0|1,0,0]=2 1945 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [0,1,0,0,0,0|1,0,0]=2 1946 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [0,1,0,0,0,0|1,0,0]=2 1947 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [0,1,0,0,0,0|1,0,0]=2 1948 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [0,1,0,0,0,0|2,0,0]=3 1949 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [0,1,0,0,0,0|2,0,0]=3 1950 B11R0.147 CCCNC(=O)CCCN(C)C 11a_100020643023_100000740757 [0,1,0,0,0,0|2,0,0]=3 1951 B11R0.147 CCCNC(=O)CCCN(C)C 2230a_100102631434_100011194427 [0,1,0,0,0,0|2,0,0]=3 1952 B11R0.147 CCCNC(=O)CCCN(C)C 240690a_100020643023_100000740757 [0,1,0,0,0,0|2,0,0]=3 1953 B11R0.147 CCCNC(=O)CCCN(C)C 269982a_100102631434_100011194427 [0,1,0,0,0,0|2,0,0]=3 1954 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000174927_100000210760 [0,1,0,0,0,0|2,0,0]=3 1955 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000210953_100000183358 [0,1,0,0,0,0|2,0,0]=3 1956 B11R0.147 CCCNC(=O)CNCC(C)C 270004a_100000174927_100000210432 [0,1,0,0,0,0|2,0,0]=3 1957 B11R0.147 CCCNC(=O)CNCC(C)C 34a_100000210953_100000183358 [0,1,0,0,0,0|2,0,0]=3 1958 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000174927_100011218427 [0,1,0,0,0,0|3,0,0]=4 1959 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000210904_100000183358 [0,1,0,0,0,0|3,0,0]=4 1960 B11R0.147 CCCNC(=O)CNCC(C)O 34a_100000210904_100000183358 [0,1,0,0,0,0|3,0,0]=4 1961 B11R0.147 CCCNC(=O)CNC[C@@H](C)O 2230a_100000174927_100009817552 [0,1,0,0,0,0|3,0,0]=4 1962 B11R0.147 CCCNC(=O)COCC(C)Br 34a_100012180447_100000183358 [0,1,0,0,0,0|3,0,0]=4 1963 B11R0.147 CCCNC(=O)COCC(C)C 11a_100020643023_100011223364 [0,1,0,0,0,0|2,0,0]=3 1964 B11R0.147 CCCNC(=O)COCC(C)C 1626a_100020643023_100011223364 [0,1,0,0,0,0|2,0,0]=3 1965 B11R0.147 CCCNC(=O)COCC(C)C 240690a_100020643023_100011223364 [0,1,0,0,0,0|2,0,0]=3 1966 B11R0.147 CCCNC(=O)COCC(C)C 34a_100000210257_100000183358 [0,1,0,0,0,0|2,0,0]=3 1967 B11R0.147 CCCNC(=O)COCC(C)C 527a_100020643023_100011223364 [0,1,0,0,0,0|2,0,0]=3 1968 B11R0.147 CCCNC(=O)COCC(C)F 34a_100015925927_100000183358 [0,1,0,0,0,0|3,0,0]=4 1969 B11R0.147 CCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183358 [0,1,0,0,0,0|3,0,0]=4 1970 B11R0.147 CCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183358 [0,1,0,0,0,0|3,0,0]=4 1971 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000183358_100000210760 [0,1,0,0,0,0|2,0,0]=3 1972 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000210624_100000183358 [0,1,0,0,0,0|2,0,0]=3 1973 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100000183358_100011218427 [0,1,0,0,0,0|3,0,0]=4 1974 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100011218427_100000183358 [0,1,0,0,0,0|3,0,0]=4 1975 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100000183358_100009817552 [0,1,0,0,0,0|3,0,0]=4 1976 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183358 [0,1,0,0,0,0|3,0,0]=4 1977 B11R0.147 CCCNC(=O)NCC=C(C)C 2708a_100000718196_100020643023 [0,1,0,0,0,0|1,0,2]=4 1978 B11R0.147 CCCNC(=O)NCC=C(C)C 2708a_100020643023_100000718196 [0,1,0,0,0,0|1,0,2]=4 1979 B11R0.147 CCCNC(=O)NCC=C(C)C 273464a_100000718196_100020643023 [0,1,0,0,0,0|1,0,2]=4 1980 B11R0.147 CCCNC(=O)NCC=C(C)C 273464a_100020643023_100000718196 [0,1,0,0,0,0|1,0,2]=4 1981 B11R0.147 CCCNC(=O)NCC=C(C)C 512a_100000718196_100020643023 [0,1,0,0,0,0|1,0,2]=4 1982 B11R0.147 CCCNC(=O)NCC=C(C)C 512a_100020643023_100000718196 [0,1,0,0,0,0|1,0,2]=4 1983 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100000210545_100020643023 [0,1,0,0,0,0|1,0,0]=2 1984 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100020643023_100000210545 [0,1,0,0,0,0|1,0,0]=2 1985 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100000210545_100020643023 [0,1,0,0,0,0|1,0,0]=2 1986 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100020643023_100000210545 [0,1,0,0,0,0|1,0,0]=2 1987 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100000210545_100020643023 [0,1,0,0,0,0|1,0,0]=2 1988 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100020643023_100000210545 [0,1,0,0,0,0|1,0,0]=2 1989 B11R0.147 CCCNC(=O)NCCC(C)O 2708a_100020643023_200000755665 [0,1,0,0,0,0|2,0,0]=3 1990 B11R0.147 CCCNC(=O)NCCC(C)O 273464a_200000755665_100020643023 [0,1,0,0,0,0|2,0,0]=3 1991 B11R0.147 CCCNC(=O)NCCC(C)O 512a_100020643023_200000755665 [0,1,0,0,0,0|2,0,0]=3 1992 B11R0.147 CCCNC(=O)NCCC(C)O 512a_200000755665_100020643023 [0,1,0,0,0,0|2,0,0]=3 1993 B11R0.147 CCCNC(=O)NCCN(C)C 2708a_100020643023_100000210585 [0,1,0,0,0,0|2,0,0]=3 1994 B11R0.147 CCCNC(=O)NCCN(C)C 273464a_100000210585_100020643023 [0,1,0,0,0,0|2,0,0]=3 1995 B11R0.147 CCCNC(=O)NCCN(C)C 273464a_100020643023_100000210585 [0,1,0,0,0,0|2,0,0]=3 1996 B11R0.147 CCCNC(=O)NCCN(C)C 512a_100020643023_100000210585 [0,1,0,0,0,0|2,0,0]=3 1997 B11R0.147 CCCNC(=O)NNCC(C)C 273464a_100020643023_100000696102 [0,1,0,0,0,0|2,0,0]=3 1998 B11R0.147 CCCNC(=O)NNCC(C)C 512a_100000696102_100020643023 [0,1,0,0,0,0|2,0,0]=3 1999 B11R0.147 CCCNC(=O)NNCC(C)C 512a_100020643023_100000696102 [0,1,0,0,0,0|2,0,0]=3 2000 B11R0.147 CCCNC(=O)NNCC(C)O 512a_100020643023_200000730056 [0,1,0,0,0,0|3,0,0]=4 2001 B11R0.147 CCCNC(=O)NNCC(C)O 512a_200000730056_100020643023 [0,1,0,0,0,0|3,0,0]=4 2002 B11R0.147 CCCNC(C)CCCC(C)C 2230a_100000210607_100000210303 [0,1,0,0,0,0|2,0,1]=4 2003 B11R0.147 CCCNC(C)CCCC(C)C 270004a_100020643023_100000753411 [0,1,0,0,0,0|2,0,1]=4 2004 B11R0.147 CCCOC(=O)CNCC(C)C 2230a_100000210953_200011215008 [0,1,0,0,0,0|2,0,0]=3 2005 B11R0.147 CCCOC(=O)CNCC(C)C 34a_100000210953_200011215008 [0,1,0,0,0,0|2,0,0]=3 2006 B11R0.147 CCCOC(=O)CNCC(C)O 2230a_100000210904_200011215008 [0,1,0,0,0,0|3,0,0]=4 2007 B11R0.147 CCCOC(=O)CNCC(C)O 34a_100000210904_200011215008 [0,1,0,0,0,0|3,0,0]=4 2008 B11R0.147 CCCOC(=O)COCC(C)Br 34a_100012180447_200011215008 [0,1,0,0,0,0|3,0,0]=4 2009 B11R0.147 CCCOC(=O)COCC(C)C 34a_100000210257_200011215008 [0,1,0,0,0,0|2,0,0]=3 2010 B11R0.147 CCCOC(=O)COCC(C)F 34a_100015925927_200011215008 [0,1,0,0,0,0|3,0,0]=4 2011 B11R0.147 CCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200011215008 [0,1,0,0,0,0|3,0,0]=4 2012 B11R0.147 CCCOC(=O)COC[C@@H](C)N 34a_100000737577_200011215008 [0,1,0,0,0,0|3,0,0]=4 2013 B11R0.147 CCCOC(=O)CSCC(C)C 62a_100000210624_200011215008 [0,1,0,0,0,0|2,0,0]=3 2014 B11R0.147 CCCOC(=O)CSCC(C)C 62a_200011215008_100000210760 [0,1,0,0,0,0|2,0,0]=3 2015 B11R0.147 CCCOC(=O)CSCC(C)O 62a_100011218427_200011215008 [0,1,0,0,0,0|3,0,0]=4 2016 B11R0.147 CCCOC(=O)CSCC(C)O 62a_200011215008_100011218427 [0,1,0,0,0,0|3,0,0]=4 2017 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200011215008 [0,1,0,0,0,0|3,0,0]=4 2018 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_200011215008_100009817552 [0,1,0,0,0,0|3,0,0]=4 2019 B11R0.147 CCCOC(=O)OCNC(C)C 34a_100138425928_200000139673 [0,1,0,0,0,0|1,0,0]=2 2020 B11R0.147 CCCOC(=O)OCOC(C)C 34a_100000212225_200000139673 [0,1,0,0,0,0|1,0,0]=2 2021 B11R0.147 CCCOC(=O)OCSC(C)C 62a_100000210206_200000139673 [0,1,0,0,0,0|1,0,0]=2 2022 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [0,1,0,0,0,0|2,0,1]=4 2023 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [0,1,0,0,0,0|2,0,1]=4 2024 B11R0.147 CCNN=C(C)CCCC(C)C 4a_100000756455_100000753411 [0,1,0,0,0,0|3,0,0]=4 2025 B11R0.147 CCNNC(=O)CCCC(C)C 22a_100000756455_100011216857 [0,1,0,0,0,0|2,0,0]=3 2026 B11R0.147 CCNNC(=O)CCCC(C)O 22a_100000756455_100000761597 [0,1,0,0,0,0|3,0,0]=4 2027 B11R0.147 CCNNC(=O)CCCN(C)C 22a_100000756455_100000740757 [0,1,0,0,0,0|3,0,0]=4 2028 B11R0.147 CCNNC(=O)COCC(C)C 22a_100000756455_100011223364 [0,1,0,0,0,0|3,0,0]=4 2029 B11R0.147 CCNNC(=O)NCCC(C)C 273464a_100000210545_100000756455 [0,1,0,0,0,0|2,0,0]=3 2030 B11R0.147 CCNNC(=O)NCCC(C)C 512a_100000210545_100000756455 [0,1,0,0,0,0|2,0,0]=3 2031 B11R0.147 CCNNC(=O)NCCC(C)C 512a_100000756455_100000210545 [0,1,0,0,0,0|2,0,0]=3 2032 B11R0.147 CCNNC(=O)NCCC(C)O 273464a_200000755665_100000756455 [0,1,0,0,0,0|3,0,0]=4 2033 B11R0.147 CCNNC(=O)NCCC(C)O 512a_100000756455_200000755665 [0,1,0,0,0,0|3,0,0]=4 2034 B11R0.147 CCNNC(=O)NCCC(C)O 512a_200000755665_100000756455 [0,1,0,0,0,0|3,0,0]=4 2035 B11R0.147 CCNNC(=O)NCCN(C)C 273464a_100000210585_100000756455 [0,1,0,0,0,0|3,0,0]=4 2036 B11R0.147 CCNNC(=O)NCCN(C)C 512a_100000756455_100000210585 [0,1,0,0,0,0|3,0,0]=4 2037 B11R0.147 CCNNC(=O)NNCC(C)C 512a_100000696102_100000756455 [0,1,0,0,0,0|3,0,0]=4 2038 B11R0.147 CCNNC(=O)NNCC(C)C 512a_100000756455_100000696102 [0,1,0,0,0,0|3,0,0]=4 2039 B11R0.147 CCOCC(=O)CCC=C(C)C 1458a_100000211967_100011217483 [0,1,0,0,0,0|1,0,2]=4 2040 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,1,0,0,0,0|2,0,1]=4 2041 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,1,0,0,0,0|1,0,0]=2 2042 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,1,0,0,0,0|2,0,0]=3 2043 B11R0.147 CCOCC(=O)CCCN(C)C 1458a_100000211967_100000695564 [0,1,0,0,0,0|2,0,0]=3 2044 B11R0.147 CCOCC(=O)CCOC(C)C 1458a_100000211967_100000211751 [0,1,0,0,0,0|2,0,0]=3 2045 B11R0.147 CCOCC(=O)CCSC(C)C 1458a_100000211967_100000730970 [0,1,0,0,0,0|2,0,0]=3 2046 B11R0.147 CCOCC(=O)NCC=C(C)C 11a_100000718196_100000211967 [0,1,0,0,0,0|1,0,2]=4 2047 B11R0.147 CCOCC(=O)NCC=C(C)C 1626a_100000718196_100000211967 [0,1,0,0,0,0|1,0,2]=4 2048 B11R0.147 CCOCC(=O)NCC=C(C)C 527a_100000718196_100000211967 [0,1,0,0,0,0|1,0,2]=4 2049 B11R0.147 CCOCC(=O)NCCC(C)C 11a_100000210545_100000211967 [0,1,0,0,0,0|1,0,0]=2 2050 B11R0.147 CCOCC(=O)NCCC(C)C 1626a_100000210545_100000211967 [0,1,0,0,0,0|1,0,0]=2 2051 B11R0.147 CCOCC(=O)NCCC(C)C 240690a_100000210545_100000211967 [0,1,0,0,0,0|1,0,0]=2 2052 B11R0.147 CCOCC(=O)NCCC(C)C 527a_100000210545_100000211967 [0,1,0,0,0,0|1,0,0]=2 2053 B11R0.147 CCOCC(=O)NCCC(C)O 240690a_200000755665_100000211967 [0,1,0,0,0,0|2,0,0]=3 2054 B11R0.147 CCOCC(=O)NCCC(C)O 527a_200000755665_100000211967 [0,1,0,0,0,0|2,0,0]=3 2055 B11R0.147 CCOCC(=O)NCCN(C)C 240690a_100000210585_100000211967 [0,1,0,0,0,0|2,0,0]=3 2056 B11R0.147 CCOCC(=O)NCCN(C)C 527a_100000210585_100000211967 [0,1,0,0,0,0|2,0,0]=3 2057 B11R0.147 CCOCC(=O)NN=CC(C)C 4a_100000216846_100000210432 [0,1,0,0,0,0|2,0,1]=4 2058 B11R0.147 CCOCC(=O)NNCC(C)C 22a_100000696102_100000211967 [0,1,0,0,0,0|2,0,0]=3 2059 B11R0.147 CCOCC(=O)NNCC(C)O 22a_200000730056_100000211967 [0,1,0,0,0,0|3,0,0]=4 2060 B11R0.147 CCOCC(C)OCCC(C)C 34a_100000718985_100000210312 [0,1,0,0,0,0|1,0,1]=3 2061 B11R0.147 CCOCC(C)OCCC(C)C 7a_100000718985_100000210626 [0,1,0,0,0,0|1,0,1]=3 2062 B11R0.147 CCOCC(C)OCCC(C)O 34a_100000718985_100012276601 [0,1,0,0,0,0|2,0,1]=4 2063 B11R0.147 CCOCC(C)OCCC(C)O 7a_100000718985_100012276601 [0,1,0,0,0,0|2,0,1]=4 2064 B11R0.147 CCOCC(C)OCCN(C)C 7a_100000718985_100000755713 [0,1,0,0,0,0|2,0,1]=4 2065 B11R0.147 CCOCC(C)OCOC(C)C 34a_100000718985_100000709892 [0,1,0,0,0,0|2,0,1]=4 2066 B11R0.147 CCSCC(=O)CCC=C(C)C 1458a_100000230394_100011217483 [0,1,0,0,0,0|1,0,2]=4 2067 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,1,0,0,0,0|2,0,1]=4 2068 B11R0.147 CCSCC(=O)CCCC(C)C 1458a_100000230394_100011214892 [0,1,0,0,0,0|1,0,0]=2 2069 B11R0.147 CCSCC(=O)CCCC(C)O 1458a_100000230394_200000718107 [0,1,0,0,0,0|2,0,0]=3 2070 B11R0.147 CCSCC(=O)CCCN(C)C 1458a_100000230394_100000695564 [0,1,0,0,0,0|2,0,0]=3 2071 B11R0.147 CCSCC(=O)CCOC(C)C 1458a_100000230394_100000211751 [0,1,0,0,0,0|2,0,0]=3 2072 B11R0.147 CCSCC(=O)CCSC(C)C 1458a_100000230394_100000730970 [0,1,0,0,0,0|2,0,0]=3 2073 B11R0.147 CCSCC(=O)NCC=C(C)C 11a_100000718196_100000230394 [0,1,0,0,0,0|1,0,2]=4 2074 B11R0.147 CCSCC(=O)NCC=C(C)C 1626a_100000718196_100000230394 [0,1,0,0,0,0|1,0,2]=4 2075 B11R0.147 CCSCC(=O)NCC=C(C)C 527a_100000718196_100000230394 [0,1,0,0,0,0|1,0,2]=4 2076 B11R0.147 CCSCC(=O)NCCC(C)C 11a_100000210545_100000230394 [0,1,0,0,0,0|1,0,0]=2 2077 B11R0.147 CCSCC(=O)NCCC(C)C 1626a_100000210545_100000230394 [0,1,0,0,0,0|1,0,0]=2 2078 B11R0.147 CCSCC(=O)NCCC(C)C 240690a_100000210545_100000230394 [0,1,0,0,0,0|1,0,0]=2 2079 B11R0.147 CCSCC(=O)NCCC(C)C 527a_100000210545_100000230394 [0,1,0,0,0,0|1,0,0]=2 2080 B11R0.147 CCSCC(=O)NCCC(C)O 240690a_200000755665_100000230394 [0,1,0,0,0,0|2,0,0]=3 2081 B11R0.147 CCSCC(=O)NCCC(C)O 527a_200000755665_100000230394 [0,1,0,0,0,0|2,0,0]=3 2082 B11R0.147 CCSCC(=O)NCCN(C)C 240690a_100000210585_100000230394 [0,1,0,0,0,0|2,0,0]=3 2083 B11R0.147 CCSCC(=O)NCCN(C)C 527a_100000210585_100000230394 [0,1,0,0,0,0|2,0,0]=3 2084 B11R0.147 CCSCC(=O)NNCC(C)C 22a_100000696102_100000230394 [0,1,0,0,0,0|2,0,0]=3 2085 B11R0.147 CCSCC(=O)NNCC(C)O 22a_200000730056_100000230394 [0,1,0,0,0,0|3,0,0]=4 2086 B11R0.147 CCSCC(C)NCCC(C)C 270004a_100000210545_200011216171 [0,1,0,0,0,0|2,0,1]=4 2087 B11R0.147 CN(C)CC=CC(=O)CCCF 1458a_100000754359_100011934791 [0,1,0,0,0,0|2,0,1]=4 2088 B11R0.147 CN(C)CC=CC(=O)CCCO 1458a_100000754359_100011215043 [0,1,0,0,0,0|2,0,1]=4 2089 B11R0.147 CN(C)CCCC(=O)CCC#N 1458a_100011934036_100000695564 [0,1,0,0,0,0|2,0,1]=4 2090 B11R0.147 CN(C)CCCC(=O)NCCF 11a_100000724931_100000740757 [0,1,0,0,0,0|3,0,0]=4 2091 B11R0.147 CN(C)CCCC(=O)NCCF 240690a_100000724931_100000740757 [0,1,0,0,0,0|3,0,0]=4 2092 B11R0.147 CN(C)CCCC(=O)NCCO 240690a_100000210304_100000740757 [0,1,0,0,0,0|3,0,0]=4 2093 B11R0.147 CN(C)CCNC(=O)CCC#N 240690a_100000210585_100011934036 [0,1,0,0,0,0|2,0,1]=4 2094 B11R0.147 CN(C)CCNC(=O)CCC#N 527a_100000210585_100011934036 [0,1,0,0,0,0|2,0,1]=4 2095 B11R0.147 CN(C)CCNC(=O)NCCF 273464a_100000210585_100000724931 [0,1,0,0,0,0|3,0,0]=4 2096 B11R0.147 CN(C)CCNC(=O)NCCF 273464a_100000724931_100000210585 [0,1,0,0,0,0|3,0,0]=4 2097 B11R0.147 CN(C)CCNC(=O)NCCO 273464a_100000210304_100000210585 [0,1,0,0,0,0|3,0,0]=4 2098 B11R0.147 CN(C)CCNC(=O)NCCO 273464a_100000210585_100000210304 [0,1,0,0,0,0|3,0,0]=4 2099 B11R0.147 CNCCC(C)CCCC(C)C 2230a_102516457229_200000210301 [0,1,0,0,0,0|2,0,1]=4 2100 B11R0.147 CNCCC(C)CCCC(C)C 2230a_106832991635_100009816328 [0,1,0,0,0,0|2,0,1]=4 2101 B11R0.147 CNCCC(C)CCCC(C)C 34a_100102657272_100009816328 [0,1,0,0,0,0|2,0,1]=4 2102 B11R0.147 CNCCC(C)CCCC(C)C 7a_106832991635_100009816328 [0,1,0,0,0,0|2,0,1]=4 2103 B11R0.147 COC=CC(=O)CCCC(C)C 1458a_100016268678_100011214892 [0,1,0,0,0,0|1,0,2]=4 2104 B11R0.147 COC=CC(=O)NCCC(C)C 1626a_100000210545_100016268678 [0,1,0,0,0,0|1,0,2]=4 2105 B11R0.147 COC=CC(=O)NCCC(C)C 240690a_100000210545_100016268678 [0,1,0,0,0,0|1,0,2]=4 2106 B11R0.147 COCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000233755 [0,1,0,0,0,0|1,0,2]=4 2107 B11R0.147 COCCC(=O)C=CCN(C)C 1458a_100000754359_100000233755 [0,1,0,0,0,0|2,0,1]=4 2108 B11R0.147 COCCC(=O)CCC=C(C)C 1458a_100000749529_100011217483 [0,1,0,0,0,0|1,0,2]=4 2109 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,1,0,0,0,0|2,0,1]=4 2110 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [0,1,0,0,0,0|1,0,0]=2 2111 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [0,1,0,0,0,0|1,0,0]=2 2112 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,1,0,0,0,0|2,0,0]=3 2113 B11R0.147 COCCC(=O)CCCN(C)C 1458a_100000749529_100000695564 [0,1,0,0,0,0|2,0,0]=3 2114 B11R0.147 COCCC(=O)CCOC(C)C 1458a_100000749529_100000211751 [0,1,0,0,0,0|2,0,0]=3 2115 B11R0.147 COCCC(=O)CCSC(C)C 1458a_100000749529_100000730970 [0,1,0,0,0,0|2,0,0]=3 2116 B11R0.147 COCCC(=O)COCC(C)C 1458a_100011223364_100000233755 [0,1,0,0,0,0|2,0,0]=3 2117 B11R0.147 COCCC(=O)NCC=C(C)C 11a_100000718196_100000749529 [0,1,0,0,0,0|1,0,2]=4 2118 B11R0.147 COCCC(=O)NCC=C(C)C 1626a_100000718196_100000749529 [0,1,0,0,0,0|1,0,2]=4 2119 B11R0.147 COCCC(=O)NCC=C(C)C 527a_100000718196_100000749529 [0,1,0,0,0,0|1,0,2]=4 2120 B11R0.147 COCCC(=O)NCCC(C)C 11a_100000210545_100000749529 [0,1,0,0,0,0|1,0,0]=2 2121 B11R0.147 COCCC(=O)NCCC(C)C 1626a_100000210545_100000749529 [0,1,0,0,0,0|1,0,0]=2 2122 B11R0.147 COCCC(=O)NCCC(C)C 240690a_100000210545_100000749529 [0,1,0,0,0,0|1,0,0]=2 2123 B11R0.147 COCCC(=O)NCCC(C)C 527a_100000210545_100000749529 [0,1,0,0,0,0|1,0,0]=2 2124 B11R0.147 COCCC(=O)NCCC(C)O 240690a_200000755665_100000749529 [0,1,0,0,0,0|2,0,0]=3 2125 B11R0.147 COCCC(=O)NCCC(C)O 527a_200000755665_100000749529 [0,1,0,0,0,0|2,0,0]=3 2126 B11R0.147 COCCC(=O)NCCN(C)C 240690a_100000210585_100000749529 [0,1,0,0,0,0|2,0,0]=3 2127 B11R0.147 COCCC(=O)NCCN(C)C 527a_100000210585_100000749529 [0,1,0,0,0,0|2,0,0]=3 2128 B11R0.147 COCCC(=O)NN=CC(C)C 4a_100011260505_100000210432 [0,1,0,0,0,0|2,0,1]=4 2129 B11R0.147 COCCC(=O)NNCC(C)C 22a_100000696102_100000749529 [0,1,0,0,0,0|2,0,0]=3 2130 B11R0.147 COCCC(=O)NNCC(C)O 22a_200000730056_100000749529 [0,1,0,0,0,0|3,0,0]=4 2131 B11R0.147 COCCC(C)CCCC(C)C 34a_100000015991_200000210301 [0,1,0,0,0,0|2,0,1]=4 2132 B11R0.147 COCCC(C)CCCC(C)C 34a_100138415774_100009816328 [0,1,0,0,0,0|2,0,1]=4 2133 B11R0.147 COCCC(C)CCCC(C)C 7a_100000015991_200000210301 [0,1,0,0,0,0|2,0,1]=4 2134 B11R0.147 COCCC(C)NCCC(C)C 270004a_100000210545_100000742357 [0,1,0,0,0,0|2,0,1]=4 2135 B11R0.147 COCCN(C)CCCC(C)C 2230a_100000743101_100011214892 [0,1,0,0,0,0|3,0,0]=4 2136 B11R0.147 COCCN(C)CCCC(C)C 269982a_100000743101_100011214892 [0,1,0,0,0,0|3,0,0]=4 2137 B11R0.147 CSCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000751147 [0,1,0,0,0,0|1,0,2]=4 2138 B11R0.147 CSCCC(=O)C=CCN(C)C 1458a_100000754359_100000751147 [0,1,0,0,0,0|2,0,1]=4 2139 B11R0.147 CSCCC(=O)CCC=C(C)C 1458a_100000174002_100011217483 [0,1,0,0,0,0|1,0,2]=4 2140 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,1,0,0,0,0|2,0,1]=4 2141 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [0,1,0,0,0,0|1,0,0]=2 2142 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [0,1,0,0,0,0|1,0,0]=2 2143 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [0,1,0,0,0,0|2,0,0]=3 2144 B11R0.147 CSCCC(=O)CCCN(C)C 1458a_100000174002_100000695564 [0,1,0,0,0,0|2,0,0]=3 2145 B11R0.147 CSCCC(=O)CCOC(C)C 1458a_100000174002_100000211751 [0,1,0,0,0,0|2,0,0]=3 2146 B11R0.147 CSCCC(=O)CCSC(C)C 1458a_100000174002_100000730970 [0,1,0,0,0,0|2,0,0]=3 2147 B11R0.147 CSCCC(=O)COCC(C)C 1458a_100011223364_100000751147 [0,1,0,0,0,0|2,0,0]=3 2148 B11R0.147 CSCCC(=O)NCC=C(C)C 11a_100000718196_100000174002 [0,1,0,0,0,0|1,0,2]=4 2149 B11R0.147 CSCCC(=O)NCC=C(C)C 1626a_100000718196_100000174002 [0,1,0,0,0,0|1,0,2]=4 2150 B11R0.147 CSCCC(=O)NCC=C(C)C 527a_100000718196_100000174002 [0,1,0,0,0,0|1,0,2]=4 2151 B11R0.147 CSCCC(=O)NCCC(C)C 11a_100000210545_100000174002 [0,1,0,0,0,0|1,0,0]=2 2152 B11R0.147 CSCCC(=O)NCCC(C)C 1626a_100000210545_100000174002 [0,1,0,0,0,0|1,0,0]=2 2153 B11R0.147 CSCCC(=O)NCCC(C)C 240690a_100000210545_100000174002 [0,1,0,0,0,0|1,0,0]=2 2154 B11R0.147 CSCCC(=O)NCCC(C)C 527a_100000210545_100000174002 [0,1,0,0,0,0|1,0,0]=2 2155 B11R0.147 CSCCC(=O)NCCC(C)O 240690a_200000755665_100000174002 [0,1,0,0,0,0|2,0,0]=3 2156 B11R0.147 CSCCC(=O)NCCC(C)O 527a_200000755665_100000174002 [0,1,0,0,0,0|2,0,0]=3 2157 B11R0.147 CSCCC(=O)NCCN(C)C 240690a_100000210585_100000174002 [0,1,0,0,0,0|2,0,0]=3 2158 B11R0.147 CSCCC(=O)NCCN(C)C 527a_100000210585_100000174002 [0,1,0,0,0,0|2,0,0]=3 2159 B11R0.147 CSCCC(=O)NNCC(C)C 22a_100000696102_100000174002 [0,1,0,0,0,0|2,0,0]=3 2160 B11R0.147 CSCCC(=O)NNCC(C)O 22a_200000730056_100000174002 [0,1,0,0,0,0|3,0,0]=4 2161 B11R0.147 CSCCC(C)CCCC(C)C 62a_100009816328_200000210301 [0,1,0,0,0,0|2,0,1]=4 2162 B11R0.147 CSCCC(C)CCCC(C)C 62a_200000210301_100009816328 [0,1,0,0,0,0|2,0,1]=4 2163 B11R0.147 CSCCC(C)NCCC(C)C 270004a_100000210545_100011217047 [0,1,0,0,0,0|2,0,1]=4 2164 B11R0.147 CSCCN(C)CCCC(C)C 2230a_100000686725_100011214892 [0,1,0,0,0,0|3,0,0]=4 2165 B11R0.147 CSCCN(C)CCCC(C)C 269982a_100000686725_100011214892 [0,1,0,0,0,0|3,0,0]=4 2166 B11R0.174 C#CC(C)NCOC(=O)CCC 2230a_100000707721_100000034017 [0,1,0,0,0,0|1,0,1]=3 2167 B11R0.174 C#CC(C)NCOC(=O)CCC 34a_100000707721_100000034017 [0,1,0,0,0,0|1,0,1]=3 2168 B11R0.174 C#CC(C)SCOC(=O)CCC 62a_200000035995_100000034017 [0,1,0,0,0,0|1,0,1]=3 2169 B11R0.174 C#CC(C)SCOC(=O)OCC 62a_200000035995_100000075025 [0,1,0,0,0,0|2,0,1]=4 2170 B11R0.174 C#CCC(=O)NCCC(C)CC 1626a_100020591266_100011220946 [0,1,0,0,0,0|1,0,2]=4 2171 B11R0.174 C#CCC(=O)NCCC(C)CC 527a_100020591266_100011220946 [0,1,0,0,0,0|1,0,2]=4 2172 B11R0.174 C#CCC(=O)NCCC(C)CO 527a_106354213184_100011220946 [0,1,0,0,0,0|1,0,2]=4 2173 B11R0.174 C#C[C@@H](C)OCOC(=O)CCC 34a_100009815206_100000034017 [0,1,0,0,0,0|1,0,1]=3 2174 B11R0.174 C=CC(C)COCC(=O)CCC 7a_100011215527_100000747444 [0,1,0,0,0,0|2,0,1]=4 2175 B11R0.174 C=CC(C)OCOC(=O)CCC 34a_100000695699_100000034017 [0,1,0,0,0,0|1,0,1]=3 2176 B11R0.174 C=CC(C)SCOC(=O)CCC 62a_100011215867_100000034017 [0,1,0,0,0,0|1,0,1]=3 2177 B11R0.174 C=CC(C)SCOC(=O)OCC 62a_100011215867_100000075025 [0,1,0,0,0,0|2,0,1]=4 2178 B11R0.174 C=CCC(=O)NCCC(C)CC 11a_100020591266_100000210193 [0,1,0,0,0,0|1,0,2]=4 2179 B11R0.174 C=CCC(=O)NCCC(C)CC 1626a_100020591266_100000210193 [0,1,0,0,0,0|1,0,2]=4 2180 B11R0.174 C=CCC(=O)NCCC(C)CC 240690a_100020591266_100000210193 [0,1,0,0,0,0|1,0,2]=4 2181 B11R0.174 C=CCC(=O)NCCC(C)CC 527a_100020591266_100000210193 [0,1,0,0,0,0|1,0,2]=4 2182 B11R0.174 C=CCC(=O)NCCC(C)CO 240690a_106354213184_100000210193 [0,1,0,0,0,0|1,0,2]=4 2183 B11R0.174 C=CCC(=O)NCCC(C)CO 527a_106354213184_100000210193 [0,1,0,0,0,0|1,0,2]=4 2184 B11R0.174 CC(CO)CCNC(=O)CC#N 240690a_106354213184_100051588842 [0,1,0,0,0,0|2,0,1]=4 2185 B11R0.174 CC(CO)CCNC(=O)CCO 240690a_106354213184_100011216618 [0,1,0,0,0,0|2,0,0]=3 2186 B11R0.174 CC=CC(=O)NCCC(C)CC 11a_100020591266_100000210699 [0,1,0,0,0,0|1,0,2]=4 2187 B11R0.174 CC=CC(=O)NCCC(C)CC 1626a_100020591266_100000210699 [0,1,0,0,0,0|1,0,2]=4 2188 B11R0.174 CC=CC(=O)NCCC(C)CC 240690a_100020591266_100000210699 [0,1,0,0,0,0|1,0,2]=4 2189 B11R0.174 CC=CC(=O)NCCC(C)CO 240690a_106354213184_100000210699 [0,1,0,0,0,0|1,0,2]=4 2190 B11R0.174 CCC(C)CCNC(=O)CC#N 1626a_100020591266_100051588842 [0,1,0,0,0,0|2,0,1]=4 2191 B11R0.174 CCC(C)CCNC(=O)CC#N 240690a_100020591266_100051588842 [0,1,0,0,0,0|2,0,1]=4 2192 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,1,0,0,0,0|2,0,0]=3 2193 B11R0.174 CCC(C)CCNC(=O)COC 11a_100020591266_100000210968 [0,1,0,0,0,0|2,0,0]=3 2194 B11R0.174 CCC(C)CCNC(=O)COC 1626a_100020591266_100000210968 [0,1,0,0,0,0|2,0,0]=3 2195 B11R0.174 CCC(C)CCNC(=O)COC 240690a_100020591266_100000210968 [0,1,0,0,0,0|2,0,0]=3 2196 B11R0.174 CCC(C)CCNC(=O)COC 527a_100020591266_100000210968 [0,1,0,0,0,0|2,0,0]=3 2197 B11R0.174 CCC(C)CCNC(=O)CSC 11a_100020591266_100000184570 [0,1,0,0,0,0|2,0,0]=3 2198 B11R0.174 CCC(C)CCNC(=O)CSC 1626a_100020591266_100000184570 [0,1,0,0,0,0|2,0,0]=3 2199 B11R0.174 CCC(C)CCNC(=O)CSC 240690a_100020591266_100000184570 [0,1,0,0,0,0|2,0,0]=3 2200 B11R0.174 CCC(C)CCNC(=O)CSC 527a_100020591266_100000184570 [0,1,0,0,0,0|2,0,0]=3 2201 B11R0.174 CCC(C)CCNC(=O)NNC 273464a_100020591266_100016993582 [0,1,0,0,0,0|3,0,0]=4 2202 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100016993582_100020591266 [0,1,0,0,0,0|3,0,0]=4 2203 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100020591266_100016993582 [0,1,0,0,0,0|3,0,0]=4 2204 B11R0.174 CCC(C)CCOC(C)CCO 7a_100011215188_100009893172 [0,1,0,0,0,0|2,0,1]=4 2205 B11R0.174 CCC(C)CCOC(C)COC 7a_100011215188_100000765312 [0,1,0,0,0,0|2,0,1]=4 2206 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,1,0,0,0,0|2,0,1]=4 2207 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,1,0,0,0,0|2,0,1]=4 2208 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,1,0,0,0,0|2,0,1]=4 2209 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,1,0,0,0,0|2,0,0]=3 2210 B11R0.174 CCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210303 [0,1,0,0,0,0|3,0,0]=4 2211 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [0,1,0,0,0,0|2,0,0]=3 2212 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,1,0,0,0,0|3,0,0]=4 2213 B11R0.174 CCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747444 [0,1,0,0,0,0|2,0,0]=3 2214 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,1,0,0,0,0|3,0,0]=4 2215 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [0,1,0,0,0,0|2,0,0]=3 2216 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [0,1,0,0,0,0|2,0,0]=3 2217 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [0,1,0,0,0,0|2,0,0]=3 2218 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,1,0,0,0,0|3,0,0]=4 2219 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,1,0,0,0,0|3,0,0]=4 2220 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,1,0,0,0,0|3,0,0]=4 2221 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,1,0,0,0,0|3,0,0]=4 2222 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [0,1,0,0,0,0|2,0,0]=3 2223 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [0,1,0,0,0,0|2,0,0]=3 2224 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,1,0,0,0,0|2,0,0]=3 2225 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,1,0,0,0,0|2,0,0]=3 2226 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100000747444_100015614560 [0,1,0,0,0,0|3,0,0]=4 2227 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747444 [0,1,0,0,0,0|3,0,0]=4 2228 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,1,0,0,0,0|3,0,0]=4 2229 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,1,0,0,0,0|3,0,0]=4 2230 B11R0.174 CCCC(=O)NCCC(=O)NC 11a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 2231 B11R0.174 CCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 2232 B11R0.174 CCCC(=O)NCCC(=O)NC 527a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 2233 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [0,1,0,0,0,0|2,0,1]=4 2234 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,1,0,0,0,0|1,0,0]=2 2235 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,1,0,0,0,0|1,0,0]=2 2236 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,1,0,0,0,0|1,0,0]=2 2237 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,1,0,0,0,0|1,0,0]=2 2238 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,1,0,0,0,0|1,0,0]=2 2239 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,1,0,0,0,0|1,0,0]=2 2240 B11R0.174 CCCC(=O)NN=CC(C)CC 4a_100000189770_100000243153 [0,1,0,0,0,0|2,0,1]=4 2241 B11R0.174 CCCC(=O)NNCC(C)C#N 22a_100000045663_100000211992 [0,1,0,0,0,0|2,0,1]=4 2242 B11R0.174 CCCC(=O)NNCC(O)CC 22a_100015206393_100000211992 [0,1,0,0,0,0|3,0,0]=4 2243 B11R0.174 CCCC(=O)OCNC(C)C#N 2230a_100000737613_100000034017 [0,1,0,0,0,0|1,0,1]=3 2244 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [0,1,0,0,0,0|1,0,0]=2 2245 B11R0.174 CCCC(=O)OCN[C@H](C)CO 2230a_100000737577_100000034017 [0,1,0,0,0,0|1,0,0]=2 2246 B11R0.174 CCCC(=O)OCOC(C)C#N 34a_100011218135_100000034017 [0,1,0,0,0,0|1,0,1]=3 2247 B11R0.174 CCCC(=O)OCOC(C)CF 34a_100016041109_100000034017 [0,1,0,0,0,0|1,0,0]=2 2248 B11R0.174 CCCC(=O)OCOC(C)CN 34a_100000210904_100000034017 [0,1,0,0,0,0|1,0,0]=2 2249 B11R0.174 CCCC(=O)OCSC(C)C#N 62a_100000703298_100000034017 [0,1,0,0,0,0|1,0,1]=3 2250 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [0,1,0,0,0,0|1,0,0]=2 2251 B11R0.174 CCCC(=O)OCSC(C)CO 62a_100012180447_100000034017 [0,1,0,0,0,0|1,0,0]=2 2252 B11R0.174 CCCC(=O)OCSC(C)OC 62a_100009879195_100000034017 [0,1,0,0,0,0|1,0,0]=2 2253 B11R0.174 CCCC(=O)OCSC(F)C#N 62a_200000117898_100000034017 [0,1,0,0,0,0|2,0,1]=4 2254 B11R0.174 CCCC(=O)OCS[C@H](C)CO 62a_100016084084_100000034017 [0,1,0,0,0,0|1,0,0]=2 2255 B11R0.174 CCCC(C)NCCC(C)CC 2230a_100020591266_100000766640 [0,1,0,0,0,0|2,0,1]=4 2256 B11R0.174 CCCC(C)NCCC(C)CC 270004a_100020591266_100000211909 [0,1,0,0,0,0|2,0,1]=4 2257 B11R0.174 CCCC(C)NCCC(C)CO 2230a_106354213184_100000766640 [0,1,0,0,0,0|2,0,1]=4 2258 B11R0.174 CCCC(C)NCCC(C)CO 270004a_106354213184_100000211909 [0,1,0,0,0,0|2,0,1]=4 2259 B11R0.174 CCCC(C)NCCC(C)CO 34a_106354213184_100000766640 [0,1,0,0,0,0|2,0,1]=4 2260 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,1,0,0,0,0|1,0,1]=3 2261 B11R0.174 CCCC(C)OCCC(C)OC 7a_100000764861_100000766640 [0,1,0,0,0,0|1,0,1]=3 2262 B11R0.174 CCN(C)CCCC(=O)CCO 1458a_100011216618_100015186262 [0,1,0,0,0,0|3,0,0]=4 2263 B11R0.174 CCN(C)CCCC(=O)COC 1458a_100000210968_100015186262 [0,1,0,0,0,0|3,0,0]=4 2264 B11R0.174 CCN(C)CCCC(=O)CSC 1458a_100000184570_100015186262 [0,1,0,0,0,0|3,0,0]=4 2265 B11R0.174 CCNC(=O)CCNC(C)CC 2230a_100000209981_100000737597 [0,1,0,0,0,0|3,0,0]=4 2266 B11R0.174 CCNC(=O)CCNC(C)CC 34a_100025743525_100011215416 [0,1,0,0,0,0|3,0,0]=4 2267 B11R0.174 CCNC(=O)CCNC(C)CO 34a_100025743525_100012180447 [0,1,0,0,0,0|3,0,0]=4 2268 B11R0.174 CCNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737597 [0,1,0,0,0,0|3,0,0]=4 2269 B11R0.174 CCNC(=O)CCOC(C)CC 7a_100000210228_100000737597 [0,1,0,0,0,0|3,0,0]=4 2270 B11R0.174 CCNC(=O)CCOC(C)CF 7a_100016041109_100000737597 [0,1,0,0,0,0|3,0,0]=4 2271 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000737597_100000758301 [0,1,0,0,0,0|3,0,0]=4 2272 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000758301_100000737597 [0,1,0,0,0,0|3,0,0]=4 2273 B11R0.174 CCNC(=O)CCSC(C)CO 62a_100012180447_100000737597 [0,1,0,0,0,0|3,0,0]=4 2274 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100000737597_100009879195 [0,1,0,0,0,0|3,0,0]=4 2275 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100009879195_100000737597 [0,1,0,0,0,0|3,0,0]=4 2276 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100000737597_100016084084 [0,1,0,0,0,0|3,0,0]=4 2277 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737597 [0,1,0,0,0,0|3,0,0]=4 2278 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100016988866_100000748023 [0,1,0,0,0,0|3,0,0]=4 2279 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100020588543_100000183381 [0,1,0,0,0,0|3,0,0]=4 2280 B11R0.174 CCNC(=O)CNCC(C)CC 270004a_100016988866_100000243153 [0,1,0,0,0,0|3,0,0]=4 2281 B11R0.174 CCNC(=O)CNCC(C)CO 34a_100000744482_100000183381 [0,1,0,0,0,0|3,0,0]=4 2282 B11R0.174 CCNC(=O)CNC[C@@H](C)CC 2230a_100016988866_100009816398 [0,1,0,0,0,0|3,0,0]=4 2283 B11R0.174 CCNC(=O)CNC[C@@H](C)CO 2230a_100016988866_100000059175 [0,1,0,0,0,0|3,0,0]=4 2284 B11R0.174 CCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183381 [0,1,0,0,0,0|3,0,0]=4 2285 B11R0.174 CCNC(=O)COCC(C)CN 34a_100000744482_100000183381 [0,1,0,0,0,0|3,0,0]=4 2286 B11R0.174 CCNC(=O)COCC(C)OC 34a_100000690652_100000183381 [0,1,0,0,0,0|3,0,0]=4 2287 B11R0.174 CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183381 [0,1,0,0,0,0|3,0,0]=4 2288 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000183381_100000748023 [0,1,0,0,0,0|3,0,0]=4 2289 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000748023_100000183381 [0,1,0,0,0,0|3,0,0]=4 2290 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100000183381_100009816398 [0,1,0,0,0,0|3,0,0]=4 2291 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183381 [0,1,0,0,0,0|3,0,0]=4 2292 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183381 [0,1,0,0,0,0|3,0,0]=4 2293 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000183381_100000059175 [0,1,0,0,0,0|3,0,0]=4 2294 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100015525214_100020591266 [0,1,0,0,0,0|2,0,0]=3 2295 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100020591266_100015525214 [0,1,0,0,0,0|2,0,0]=3 2296 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100015525214_100020591266 [0,1,0,0,0,0|2,0,0]=3 2297 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100020591266_100015525214 [0,1,0,0,0,0|2,0,0]=3 2298 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100015525214_100020591266 [0,1,0,0,0,0|2,0,0]=3 2299 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100020591266_100015525214 [0,1,0,0,0,0|2,0,0]=3 2300 B11R0.174 CCNC(=O)NCCC(C)CO 2708a_100015525214_106354213184 [0,1,0,0,0,0|2,0,0]=3 2301 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_100015525214_106354213184 [0,1,0,0,0,0|2,0,0]=3 2302 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_106354213184_100015525214 [0,1,0,0,0,0|2,0,0]=3 2303 B11R0.174 CCNC(=O)NCCC(C)CO 512a_100015525214_106354213184 [0,1,0,0,0,0|2,0,0]=3 2304 B11R0.174 CCNC(=O)NCCC(C)CO 512a_106354213184_100015525214 [0,1,0,0,0,0|2,0,0]=3 2305 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [0,1,0,0,0,0|3,0,0]=4 2306 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [0,1,0,0,0,0|3,0,0]=4 2307 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [0,1,0,0,0,0|3,0,0]=4 2308 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [0,1,0,0,0,0|3,0,0]=4 2309 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,1,0,0,0,0|3,0,0]=4 2310 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [0,1,0,0,0,0|3,0,0]=4 2311 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [0,1,0,0,0,0|3,0,0]=4 2312 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [0,1,0,0,0,0|3,0,0]=4 2313 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [0,1,0,0,0,0|3,0,0]=4 2314 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [0,1,0,0,0,0|3,0,0]=4 2315 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [0,1,0,0,0,0|3,0,0]=4 2316 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100000765890_100009879195 [0,1,0,0,0,0|3,0,0]=4 2317 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100009879195_100000765890 [0,1,0,0,0,0|3,0,0]=4 2318 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [0,1,0,0,0,0|3,0,0]=4 2319 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [0,1,0,0,0,0|3,0,0]=4 2320 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [0,1,0,0,0,0|3,0,0]=4 2321 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [0,1,0,0,0,0|3,0,0]=4 2322 B11R0.174 CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000188475 [0,1,0,0,0,0|3,0,0]=4 2323 B11R0.174 CCOC(=O)COCC(C)CN 34a_100000744482_100000188475 [0,1,0,0,0,0|3,0,0]=4 2324 B11R0.174 CCOC(=O)COCC(C)OC 34a_100000690652_100000188475 [0,1,0,0,0,0|3,0,0]=4 2325 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,1,0,0,0,0|3,0,0]=4 2326 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [0,1,0,0,0,0|3,0,0]=4 2327 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [0,1,0,0,0,0|3,0,0]=4 2328 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [0,1,0,0,0,0|3,0,0]=4 2329 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [0,1,0,0,0,0|3,0,0]=4 2330 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [0,1,0,0,0,0|3,0,0]=4 2331 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [0,1,0,0,0,0|3,0,0]=4 2332 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [0,1,0,0,0,0|3,0,0]=4 2333 B11R0.174 CCOC(=O)OCSC(C)C#N 62a_100000703298_100000075025 [0,1,0,0,0,0|2,0,1]=4 2334 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [0,1,0,0,0,0|2,0,0]=3 2335 B11R0.174 CCOC(=O)OCSC(C)CO 62a_100012180447_100000075025 [0,1,0,0,0,0|2,0,0]=3 2336 B11R0.174 CCOC(=O)OCSC(C)OC 62a_100009879195_100000075025 [0,1,0,0,0,0|2,0,0]=3 2337 B11R0.174 CCOC(=O)OCS[C@H](C)CO 62a_100016084084_100000075025 [0,1,0,0,0,0|2,0,0]=3 2338 B11R0.174 CNNC(=O)NCCC(C)CO 273464a_106354213184_100016993582 [0,1,0,0,0,0|3,0,0]=4 2339 B11R0.174 CNNC(=O)NCCC(C)CO 512a_100016993582_106354213184 [0,1,0,0,0,0|3,0,0]=4 2340 B11R0.174 CNNC(=O)NCCC(C)CO 512a_106354213184_100016993582 [0,1,0,0,0,0|3,0,0]=4 2341 B11R0.174 COC(C)CCOC(C)CCO 7a_100000764861_100009893172 [0,1,0,0,0,0|2,0,1]=4 2342 B11R0.174 COCC(=O)NCCC(C)CO 240690a_106354213184_100000210968 [0,1,0,0,0,0|2,0,0]=3 2343 B11R0.174 COCC(=O)NCCC(C)CO 527a_106354213184_100000210968 [0,1,0,0,0,0|2,0,0]=3 2344 B11R0.174 COCC(C)OCCC(C)OC 7a_100000764861_100000765312 [0,1,0,0,0,0|2,0,1]=4 2345 B11R0.174 CSCC(=O)NCCC(C)CO 240690a_106354213184_100000184570 [0,1,0,0,0,0|2,0,0]=3 2346 B11R0.174 CSCC(=O)NCCC(C)CO 527a_106354213184_100000184570 [0,1,0,0,0,0|2,0,0]=3 2347 B11R0.180 C#CCC(=O)NCCC(C)(C)C 1626a_100000738805_100011220946 [0,1,0,0,0,0|1,0,2]=4 2348 B11R0.180 C#CCC(=O)NCCC(C)(C)C 527a_100000738805_100011220946 [0,1,0,0,0,0|1,0,2]=4 2349 B11R0.180 C#CCC(=O)NCCC(C)(C)F 1626a_100016253952_100011220946 [0,1,0,0,0,0|1,0,2]=4 2350 B11R0.180 C#CCC(=O)NCCC(C)(C)F 527a_100016253952_100011220946 [0,1,0,0,0,0|1,0,2]=4 2351 B11R0.180 C#CCC(=O)NCCC(C)(C)O 1626a_100000707701_100011220946 [0,1,0,0,0,0|1,0,2]=4 2352 B11R0.180 C#CCC(=O)NCCC(C)(C)O 527a_100000707701_100011220946 [0,1,0,0,0,0|1,0,2]=4 2353 B11R0.180 C=CCC(=O)NCCC(C)(C)C 11a_100000738805_100000210193 [0,1,0,0,0,0|1,0,2]=4 2354 B11R0.180 C=CCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210193 [0,1,0,0,0,0|1,0,2]=4 2355 B11R0.180 C=CCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210193 [0,1,0,0,0,0|1,0,2]=4 2356 B11R0.180 C=CCC(=O)NCCC(C)(C)C 527a_100000738805_100000210193 [0,1,0,0,0,0|1,0,2]=4 2357 B11R0.180 C=CCC(=O)NCCC(C)(C)F 11a_100016253952_100000210193 [0,1,0,0,0,0|1,0,2]=4 2358 B11R0.180 C=CCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210193 [0,1,0,0,0,0|1,0,2]=4 2359 B11R0.180 C=CCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210193 [0,1,0,0,0,0|1,0,2]=4 2360 B11R0.180 C=CCC(=O)NCCC(C)(C)F 527a_100016253952_100000210193 [0,1,0,0,0,0|1,0,2]=4 2361 B11R0.180 C=CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210193 [0,1,0,0,0,0|1,0,2]=4 2362 B11R0.180 C=CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210193 [0,1,0,0,0,0|1,0,2]=4 2363 B11R0.180 CC(C)(C)CCNC(=O)CC#N 1626a_100000738805_100051588842 [0,1,0,0,0,0|2,0,1]=4 2364 B11R0.180 CC(C)(C)CCNC(=O)CC#N 240690a_100000738805_100051588842 [0,1,0,0,0,0|2,0,1]=4 2365 B11R0.180 CC(C)(C)CCNC(=O)CCO 240690a_100000738805_100011216618 [0,1,0,0,0,0|2,0,0]=3 2366 B11R0.180 CC(C)(F)CCNC(=O)CC#N 1626a_100016253952_100051588842 [0,1,0,0,0,0|2,0,1]=4 2367 B11R0.180 CC(C)(F)CCNC(=O)CC#N 240690a_100016253952_100051588842 [0,1,0,0,0,0|2,0,1]=4 2368 B11R0.180 CC(C)(F)CCNC(=O)CCO 240690a_100016253952_100011216618 [0,1,0,0,0,0|2,0,0]=3 2369 B11R0.180 CC(C)(O)CCNC(=O)CC#N 1626a_100000707701_100051588842 [0,1,0,0,0,0|2,0,1]=4 2370 B11R0.180 CC(CCBr)OCCC(C)(C)C 34a_100012276601_100000755188 [0,1,0,0,0,0|2,0,1]=4 2371 B11R0.180 CC(CCBr)OCCC(C)(C)O 34a_100012276601_100000702414 [0,1,0,0,0,0|2,0,1]=4 2372 B11R0.180 CC(CCO)OCCC(C)(C)C 7a_100000765024_100009893172 [0,1,0,0,0,0|2,0,1]=4 2373 B11R0.180 CC=CC(=O)NCCC(C)(C)C 11a_100000738805_100000210699 [0,1,0,0,0,0|1,0,2]=4 2374 B11R0.180 CC=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000210699 [0,1,0,0,0,0|1,0,2]=4 2375 B11R0.180 CC=CC(=O)NCCC(C)(C)C 240690a_100000738805_100000210699 [0,1,0,0,0,0|1,0,2]=4 2376 B11R0.180 CC=CC(=O)NCCC(C)(C)F 11a_100016253952_100000210699 [0,1,0,0,0,0|1,0,2]=4 2377 B11R0.180 CC=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000210699 [0,1,0,0,0,0|1,0,2]=4 2378 B11R0.180 CC=CC(=O)NCCC(C)(C)F 240690a_100016253952_100000210699 [0,1,0,0,0,0|1,0,2]=4 2379 B11R0.180 CC=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000210699 [0,1,0,0,0,0|1,0,2]=4 2380 B11R0.180 CCCC(=O)CCCC(F)(F)F 1458a_100000211992_100011216173 [0,1,0,0,0,0|3,0,0]=4 2381 B11R0.180 CCCC(=O)CCCC(F)(F)F 1458a_100000764234_100000210303 [0,1,0,0,0,0|3,0,0]=4 2382 B11R0.180 CCCC(=O)CCCS(=O)(=O)C 1458a_100000211992_100000754308 [0,1,0,0,0,0|3,0,0]=4 2383 B11R0.180 CCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210303 [0,1,0,0,0,0|2,0,0]=3 2384 B11R0.180 CCCC(=O)CCC[N+](C)(C)C 1458a_100000211992_100016990835 [0,1,0,0,0,0|2,0,0]=3 2385 B11R0.180 CCCC(=O)CCC[Si](C)(C)C 1458a_100000211992_100011219597 [0,1,0,0,0,0|1,1,0]=3 2386 B11R0.180 CCCC(=O)CCO[Si](C)(C)C 1458a_100000211992_200000032530 [0,1,0,0,0,0|2,1,0]=4 2387 B11R0.180 CCCC(=O)CNCC(C)(C)C 2230a_100000743828_100000747444 [0,1,0,0,0,0|2,0,0]=3 2388 B11R0.180 CCCC(=O)CNCC(C)(C)F 2230a_100020643315_100000747444 [0,1,0,0,0,0|2,0,0]=3 2389 B11R0.180 CCCC(=O)CNCC(C)(C)O 2230a_100000751335_100000747444 [0,1,0,0,0,0|2,0,0]=3 2390 B11R0.180 CCCC(=O)CSCC(C)(C)C 62a_100000747444_100011219605 [0,1,0,0,0,0|2,0,0]=3 2391 B11R0.180 CCCC(=O)CSCC(C)(C)C 62a_100011219605_100000747444 [0,1,0,0,0,0|2,0,0]=3 2392 B11R0.180 CCCC(=O)CSCC(C)(C)F 62a_100000747444_100011997219 [0,1,0,0,0,0|2,0,0]=3 2393 B11R0.180 CCCC(=O)CSCC(C)(C)F 62a_100011997219_100000747444 [0,1,0,0,0,0|2,0,0]=3 2394 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000747444_100000764493 [0,1,0,0,0,0|2,0,0]=3 2395 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000764493_100000747444 [0,1,0,0,0,0|2,0,0]=3 2396 B11R0.180 CCCC(=O)CSC[N+](C)(C)C 62a_100000747444_200000036245 [0,1,0,0,0,0|3,0,0]=4 2397 B11R0.180 CCCC(=O)CSC[N+](C)(C)C 62a_200000036245_100000747444 [0,1,0,0,0,0|3,0,0]=4 2398 B11R0.180 CCCC(=O)CSC[Si](C)(C)C 62a_100000037933_100000747444 [0,1,0,0,0,0|2,1,0]=4 2399 B11R0.180 CCCC(=O)CSC[Si](C)(C)C 62a_100000747444_100000037933 [0,1,0,0,0,0|2,1,0]=4 2400 B11R0.180 CCCC(=O)NCCC(C)(C)C 11a_100000738805_100000211992 [0,1,0,0,0,0|1,0,0]=2 2401 B11R0.180 CCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000211992 [0,1,0,0,0,0|1,0,0]=2 2402 B11R0.180 CCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000211992 [0,1,0,0,0,0|1,0,0]=2 2403 B11R0.180 CCCC(=O)NCCC(C)(C)C 527a_100000738805_100000211992 [0,1,0,0,0,0|1,0,0]=2 2404 B11R0.180 CCCC(=O)NCCC(C)(C)F 11a_100016253952_100000211992 [0,1,0,0,0,0|1,0,0]=2 2405 B11R0.180 CCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000211992 [0,1,0,0,0,0|1,0,0]=2 2406 B11R0.180 CCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000211992 [0,1,0,0,0,0|1,0,0]=2 2407 B11R0.180 CCCC(=O)NCCC(C)(C)F 527a_100016253952_100000211992 [0,1,0,0,0,0|1,0,0]=2 2408 B11R0.180 CCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000211992 [0,1,0,0,0,0|1,0,0]=2 2409 B11R0.180 CCCC(=O)NCCC(C)(C)O 527a_100000707701_100000211992 [0,1,0,0,0,0|1,0,0]=2 2410 B11R0.180 CCCC(=O)NCCC(F)(F)F 11a_100000740434_100000211992 [0,1,0,0,0,0|3,0,0]=4 2411 B11R0.180 CCCC(=O)NCCC(F)(F)F 1626a_100000740434_100000211992 [0,1,0,0,0,0|3,0,0]=4 2412 B11R0.180 CCCC(=O)NCCC(F)(F)F 240690a_100000740434_100000211992 [0,1,0,0,0,0|3,0,0]=4 2413 B11R0.180 CCCC(=O)NCCC(F)(F)F 527a_100000740434_100000211992 [0,1,0,0,0,0|3,0,0]=4 2414 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000211992 [0,1,0,0,0,0|3,0,0]=4 2415 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000211992 [0,1,0,0,0,0|3,0,0]=4 2416 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000211992 [0,1,0,0,0,0|3,0,0]=4 2417 B11R0.180 CCCC(=O)NCCS(=O)(=O)C 527a_100000740961_100000211992 [0,1,0,0,0,0|3,0,0]=4 2418 B11R0.180 CCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000211992 [0,1,0,0,0,0|2,0,0]=3 2419 B11R0.180 CCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000211992 [0,1,0,0,0,0|2,0,0]=3 2420 B11R0.180 CCCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000211992 [0,1,0,0,0,0|2,0,0]=3 2421 B11R0.180 CCCC(=O)OCNC(C)(C)C 2230a_100000715429_100000034017 [0,1,0,0,0,0|1,0,0]=2 2422 B11R0.180 CCCC(=O)OCOC(C)(C)C 34a_100015890283_100000034017 [0,1,0,0,0,0|1,0,0]=2 2423 B11R0.180 CCCC(=O)OCSC(C)(C)C 62a_100000211941_100000034017 [0,1,0,0,0,0|1,0,0]=2 2424 B11R0.180 CCCC(=O)OCSC(F)(F)F 62a_200000243211_100000034017 [0,1,0,0,0,0|3,0,0]=4 2425 B11R0.180 CCCC(C)NCCC(C)(C)C 2230a_100000738805_100000766640 [0,1,0,0,0,0|2,0,1]=4 2426 B11R0.180 CCCC(C)NCCC(C)(C)C 2230a_100000741246_100000755188 [0,1,0,0,0,0|2,0,1]=4 2427 B11R0.180 CCCC(C)NCCC(C)(C)C 270004a_100000738805_100000211909 [0,1,0,0,0,0|2,0,1]=4 2428 B11R0.180 CCCC(C)NCCC(C)(C)F 2230a_100016253952_100000766640 [0,1,0,0,0,0|2,0,1]=4 2429 B11R0.180 CCCC(C)NCCC(C)(C)F 270004a_100016253952_100000211909 [0,1,0,0,0,0|2,0,1]=4 2430 B11R0.180 CCCC(C)NCCC(C)(C)O 2230a_100000741246_100000702414 [0,1,0,0,0,0|2,0,1]=4 2431 B11R0.180 CCCC(C)NCCC(C)(C)O 270004a_100000707701_100000211909 [0,1,0,0,0,0|2,0,1]=4 2432 B11R0.180 CCCC(C)OCCC(C)(C)C 34a_100000764384_100000755188 [0,1,0,0,0,0|1,0,1]=3 2433 B11R0.180 CCCC(C)OCCC(C)(C)C 7a_100000764384_100000755188 [0,1,0,0,0,0|1,0,1]=3 2434 B11R0.180 CCCC(C)OCCC(C)(C)C 7a_100000765024_100000766640 [0,1,0,0,0,0|1,0,1]=3 2435 B11R0.180 CCCC(C)OCCC(C)(C)O 34a_100000764384_100000702414 [0,1,0,0,0,0|1,0,1]=3 2436 B11R0.180 CCCC(C)OCCC(C)(C)O 7a_100000764384_100000702414 [0,1,0,0,0,0|1,0,1]=3 2437 B11R0.180 CCCC(C)OCC[N+](C)(C)C 34a_100000764384_100000085578 [0,1,0,0,0,0|2,0,1]=4 2438 B11R0.180 CCCC(C)OCC[N+](C)(C)C 7a_100000764384_100000085578 [0,1,0,0,0,0|2,0,1]=4 2439 B11R0.180 CCCC(C)OCC[N+](C)(C)C 7a_200020618287_100000766640 [0,1,0,0,0,0|2,0,1]=4 2440 B11R0.180 CCCC(C)OCC[Si](C)(C)C 34a_100000764384_200000733723 [0,1,0,0,0,0|1,1,1]=4 2441 B11R0.180 CCCC(C)OCC[Si](C)(C)C 7a_100000039746_100000766640 [0,1,0,0,0,0|1,1,1]=4 2442 B11R0.180 CCCC(C)OCC[Si](C)(C)C 7a_100000764384_200000733723 [0,1,0,0,0,0|1,1,1]=4 2443 B11R0.180 CCCC(C)SCCC(C)(C)C 62a_100000755188_100000766640 [0,1,0,0,0,0|1,1,1]=4 2444 B11R0.180 CCCC(C)SCCC(C)(C)C 62a_100000766640_100000755188 [0,1,0,0,0,0|1,1,1]=4 2445 B11R0.180 CCCC(C)SCCC(C)(C)O 62a_100000702414_100000766640 [0,1,0,0,0,0|1,1,1]=4 2446 B11R0.180 CCCC(C)SCCC(C)(C)O 62a_100000766640_100000702414 [0,1,0,0,0,0|1,1,1]=4 2447 B11R0.180 CCCN(C)CCCC(C)(C)O 2230a_100000747261_100009888830 [0,1,0,0,0,0|3,0,0]=4 2448 B11R0.180 CCCN(C)CCCC(C)(C)O 269982a_100000747261_100009888830 [0,1,0,0,0,0|3,0,0]=4 2449 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 11a_100015525214_100000085584 [0,1,0,0,0,0|3,0,0]=4 2450 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 240690a_100015525214_100000085584 [0,1,0,0,0,0|3,0,0]=4 2451 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 527a_100015525214_100000085584 [0,1,0,0,0,0|3,0,0]=4 2452 B11R0.180 CCNC(=O)CCNC(C)(C)C 2230a_100000715429_100000737597 [0,1,0,0,0,0|3,0,0]=4 2453 B11R0.180 CCNC(=O)CCNC(C)(C)C 34a_100025743525_100000210625 [0,1,0,0,0,0|3,0,0]=4 2454 B11R0.180 CCNC(=O)CCOC(C)(C)C 7a_100015890283_100000737597 [0,1,0,0,0,0|3,0,0]=4 2455 B11R0.180 CCNC(=O)CCSC(C)(C)C 62a_100000211941_100000737597 [0,1,0,0,0,0|3,0,0]=4 2456 B11R0.180 CCNC(=O)CCSC(C)(C)C 62a_100000737597_100000211941 [0,1,0,0,0,0|3,0,0]=4 2457 B11R0.180 CCNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183381 [0,1,0,0,0,0|3,0,0]=4 2458 B11R0.180 CCNC(=O)CNCC(C)(C)C 270004a_100016988866_100011204126 [0,1,0,0,0,0|3,0,0]=4 2459 B11R0.180 CCNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183381 [0,1,0,0,0,0|3,0,0]=4 2460 B11R0.180 CCNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183381 [0,1,0,0,0,0|3,0,0]=4 2461 B11R0.180 CCNC(=O)COCC(C)(C)F 34a_100000716592_100000183381 [0,1,0,0,0,0|3,0,0]=4 2462 B11R0.180 CCNC(=O)CSCC(C)(C)C 62a_100000183381_100011219605 [0,1,0,0,0,0|3,0,0]=4 2463 B11R0.180 CCNC(=O)CSCC(C)(C)C 62a_100011219605_100000183381 [0,1,0,0,0,0|3,0,0]=4 2464 B11R0.180 CCNC(=O)CSCC(C)(C)F 62a_100000183381_100011997219 [0,1,0,0,0,0|3,0,0]=4 2465 B11R0.180 CCNC(=O)CSCC(C)(C)F 62a_100011997219_100000183381 [0,1,0,0,0,0|3,0,0]=4 2466 B11R0.180 CCNC(=O)CSCC(C)(C)O 62a_100000183381_100000764493 [0,1,0,0,0,0|3,0,0]=4 2467 B11R0.180 CCNC(=O)CSCC(C)(C)O 62a_100000764493_100000183381 [0,1,0,0,0,0|3,0,0]=4 2468 B11R0.180 CCNC(=O)NCCC(C)(C)C 2708a_100000738805_100015525214 [0,1,0,0,0,0|2,0,0]=3 2469 B11R0.180 CCNC(=O)NCCC(C)(C)C 2708a_100015525214_100000738805 [0,1,0,0,0,0|2,0,0]=3 2470 B11R0.180 CCNC(=O)NCCC(C)(C)C 273464a_100000738805_100015525214 [0,1,0,0,0,0|2,0,0]=3 2471 B11R0.180 CCNC(=O)NCCC(C)(C)C 273464a_100015525214_100000738805 [0,1,0,0,0,0|2,0,0]=3 2472 B11R0.180 CCNC(=O)NCCC(C)(C)C 512a_100000738805_100015525214 [0,1,0,0,0,0|2,0,0]=3 2473 B11R0.180 CCNC(=O)NCCC(C)(C)C 512a_100015525214_100000738805 [0,1,0,0,0,0|2,0,0]=3 2474 B11R0.180 CCNC(=O)NCCC(C)(C)F 2708a_100015525214_100016253952 [0,1,0,0,0,0|2,0,0]=3 2475 B11R0.180 CCNC(=O)NCCC(C)(C)F 2708a_100016253952_100015525214 [0,1,0,0,0,0|2,0,0]=3 2476 B11R0.180 CCNC(=O)NCCC(C)(C)F 273464a_100015525214_100016253952 [0,1,0,0,0,0|2,0,0]=3 2477 B11R0.180 CCNC(=O)NCCC(C)(C)F 273464a_100016253952_100015525214 [0,1,0,0,0,0|2,0,0]=3 2478 B11R0.180 CCNC(=O)NCCC(C)(C)F 512a_100015525214_100016253952 [0,1,0,0,0,0|2,0,0]=3 2479 B11R0.180 CCNC(=O)NCCC(C)(C)F 512a_100016253952_100015525214 [0,1,0,0,0,0|2,0,0]=3 2480 B11R0.180 CCNC(=O)NCCC(C)(C)O 2708a_100000707701_100015525214 [0,1,0,0,0,0|2,0,0]=3 2481 B11R0.180 CCNC(=O)NCCC(C)(C)O 2708a_100015525214_100000707701 [0,1,0,0,0,0|2,0,0]=3 2482 B11R0.180 CCNC(=O)NCCC(C)(C)O 273464a_100000707701_100015525214 [0,1,0,0,0,0|2,0,0]=3 2483 B11R0.180 CCNC(=O)NCCC(C)(C)O 273464a_100015525214_100000707701 [0,1,0,0,0,0|2,0,0]=3 2484 B11R0.180 CCNC(=O)NCCC(C)(C)O 512a_100000707701_100015525214 [0,1,0,0,0,0|2,0,0]=3 2485 B11R0.180 CCNC(=O)NCCC(C)(C)O 512a_100015525214_100000707701 [0,1,0,0,0,0|2,0,0]=3 2486 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 2708a_100015525214_100000106457 [0,1,0,0,0,0|3,0,0]=4 2487 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 273464a_100000106457_100015525214 [0,1,0,0,0,0|3,0,0]=4 2488 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 273464a_100015525214_100000106457 [0,1,0,0,0,0|3,0,0]=4 2489 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 512a_100000106457_100015525214 [0,1,0,0,0,0|3,0,0]=4 2490 B11R0.180 CCNC(=O)NCC[N+](C)(C)C 512a_100015525214_100000106457 [0,1,0,0,0,0|3,0,0]=4 2491 B11R0.180 CCOC(=O)CCNC(C)(C)C 2230a_100000715429_100011206558 [0,1,0,0,0,0|3,0,0]=4 2492 B11R0.180 CCOC(=O)CCOC(C)(C)C 34a_100015890283_100000765890 [0,1,0,0,0,0|3,0,0]=4 2493 B11R0.180 CCOC(=O)CCOC(C)(C)C 7a_100015890283_100011206558 [0,1,0,0,0,0|3,0,0]=4 2494 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000211941_100000765890 [0,1,0,0,0,0|3,0,0]=4 2495 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000765890_100000211941 [0,1,0,0,0,0|3,0,0]=4 2496 B11R0.180 CCOC(=O)CNCC(C)(C)C 2230a_100000743828_100000188475 [0,1,0,0,0,0|3,0,0]=4 2497 B11R0.180 CCOC(=O)CNCC(C)(C)F 2230a_100020643315_100000188475 [0,1,0,0,0,0|3,0,0]=4 2498 B11R0.180 CCOC(=O)CNCC(C)(C)O 2230a_100000751335_100000188475 [0,1,0,0,0,0|3,0,0]=4 2499 B11R0.180 CCOC(=O)COCC(C)(C)F 34a_100000716592_100000188475 [0,1,0,0,0,0|3,0,0]=4 2500 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100000188475_100011219605 [0,1,0,0,0,0|3,0,0]=4 2501 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100011219605_100000188475 [0,1,0,0,0,0|3,0,0]=4 2502 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100000188475_100011997219 [0,1,0,0,0,0|3,0,0]=4 2503 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100011997219_100000188475 [0,1,0,0,0,0|3,0,0]=4 2504 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000188475_100000764493 [0,1,0,0,0,0|3,0,0]=4 2505 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000764493_100000188475 [0,1,0,0,0,0|3,0,0]=4 2506 B11R0.180 CCOC(=O)OCSC(C)(C)C 62a_100000211941_100000075025 [0,1,0,0,0,0|2,0,0]=3 2507 B11R0.180 CNNC(=O)NCCC(C)(C)C 273464a_100000738805_100016993582 [0,1,0,0,0,0|3,0,0]=4 2508 B11R0.180 CNNC(=O)NCCC(C)(C)C 512a_100000738805_100016993582 [0,1,0,0,0,0|3,0,0]=4 2509 B11R0.180 CNNC(=O)NCCC(C)(C)C 512a_100016993582_100000738805 [0,1,0,0,0,0|3,0,0]=4 2510 B11R0.180 CNNC(=O)NCCC(C)(C)F 273464a_100016253952_100016993582 [0,1,0,0,0,0|3,0,0]=4 2511 B11R0.180 CNNC(=O)NCCC(C)(C)F 512a_100016253952_100016993582 [0,1,0,0,0,0|3,0,0]=4 2512 B11R0.180 CNNC(=O)NCCC(C)(C)F 512a_100016993582_100016253952 [0,1,0,0,0,0|3,0,0]=4 2513 B11R0.180 CNNC(=O)NCCC(C)(C)O 273464a_100000707701_100016993582 [0,1,0,0,0,0|3,0,0]=4 2514 B11R0.180 CNNC(=O)NCCC(C)(C)O 512a_100000707701_100016993582 [0,1,0,0,0,0|3,0,0]=4 2515 B11R0.180 CNNC(=O)NCCC(C)(C)O 512a_100016993582_100000707701 [0,1,0,0,0,0|3,0,0]=4 2516 B11R0.180 COCC(=O)CCC[N+](C)(C)C 1458a_100000210968_100016990835 [0,1,0,0,0,0|3,0,0]=4 2517 B11R0.180 COCC(=O)CCC[Si](C)(C)C 1458a_100000210968_100011219597 [0,1,0,0,0,0|2,1,0]=4 2518 B11R0.180 COCC(=O)NCCC(C)(C)C 11a_100000738805_100000210968 [0,1,0,0,0,0|2,0,0]=3 2519 B11R0.180 COCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210968 [0,1,0,0,0,0|2,0,0]=3 2520 B11R0.180 COCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210968 [0,1,0,0,0,0|2,0,0]=3 2521 B11R0.180 COCC(=O)NCCC(C)(C)C 527a_100000738805_100000210968 [0,1,0,0,0,0|2,0,0]=3 2522 B11R0.180 COCC(=O)NCCC(C)(C)F 11a_100016253952_100000210968 [0,1,0,0,0,0|2,0,0]=3 2523 B11R0.180 COCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210968 [0,1,0,0,0,0|2,0,0]=3 2524 B11R0.180 COCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210968 [0,1,0,0,0,0|2,0,0]=3 2525 B11R0.180 COCC(=O)NCCC(C)(C)F 527a_100016253952_100000210968 [0,1,0,0,0,0|2,0,0]=3 2526 B11R0.180 COCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210968 [0,1,0,0,0,0|2,0,0]=3 2527 B11R0.180 COCC(=O)NCCC(C)(C)O 527a_100000707701_100000210968 [0,1,0,0,0,0|2,0,0]=3 2528 B11R0.180 COCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210968 [0,1,0,0,0,0|3,0,0]=4 2529 B11R0.180 COCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210968 [0,1,0,0,0,0|3,0,0]=4 2530 B11R0.180 COCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000210968 [0,1,0,0,0,0|3,0,0]=4 2531 B11R0.180 COCC(C)OCCC(C)(C)C 7a_100000765024_100000765312 [0,1,0,0,0,0|2,0,1]=4 2532 B11R0.180 COC[C@@H](C)OCCC(C)(C)C 34a_100011934205_100000755188 [0,1,0,0,0,0|2,0,1]=4 2533 B11R0.180 COC[C@@H](C)OCCC(C)(C)O 34a_100011934205_100000702414 [0,1,0,0,0,0|2,0,1]=4 2534 B11R0.180 CSCC(=O)CCC[N+](C)(C)C 1458a_100000184570_100016990835 [0,1,0,0,0,0|3,0,0]=4 2535 B11R0.180 CSCC(=O)CCC[Si](C)(C)C 1458a_100000184570_100011219597 [0,1,0,0,0,0|2,1,0]=4 2536 B11R0.180 CSCC(=O)NCCC(C)(C)C 11a_100000738805_100000184570 [0,1,0,0,0,0|2,0,0]=3 2537 B11R0.180 CSCC(=O)NCCC(C)(C)C 1626a_100000738805_100000184570 [0,1,0,0,0,0|2,0,0]=3 2538 B11R0.180 CSCC(=O)NCCC(C)(C)C 240690a_100000738805_100000184570 [0,1,0,0,0,0|2,0,0]=3 2539 B11R0.180 CSCC(=O)NCCC(C)(C)C 527a_100000738805_100000184570 [0,1,0,0,0,0|2,0,0]=3 2540 B11R0.180 CSCC(=O)NCCC(C)(C)F 11a_100016253952_100000184570 [0,1,0,0,0,0|2,0,0]=3 2541 B11R0.180 CSCC(=O)NCCC(C)(C)F 1626a_100016253952_100000184570 [0,1,0,0,0,0|2,0,0]=3 2542 B11R0.180 CSCC(=O)NCCC(C)(C)F 240690a_100016253952_100000184570 [0,1,0,0,0,0|2,0,0]=3 2543 B11R0.180 CSCC(=O)NCCC(C)(C)F 527a_100016253952_100000184570 [0,1,0,0,0,0|2,0,0]=3 2544 B11R0.180 CSCC(=O)NCCC(C)(C)O 1626a_100000707701_100000184570 [0,1,0,0,0,0|2,0,0]=3 2545 B11R0.180 CSCC(=O)NCCC(C)(C)O 527a_100000707701_100000184570 [0,1,0,0,0,0|2,0,0]=3 2546 B11R0.180 CSCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000184570 [0,1,0,0,0,0|3,0,0]=4 2547 B11R0.180 CSCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000184570 [0,1,0,0,0,0|3,0,0]=4 2548 B11R0.180 CSCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000184570 [0,1,0,0,0,0|3,0,0]=4 2549 B11R0.180 C[N+](C)(C)CCCC(=O)CCF 1458a_100000085584_100011217306 [0,1,0,0,0,0|3,0,0]=4 2550 B11R0.180 C[N+](C)(C)CCCC(=O)CCO 1458a_100000085584_100000211926 [0,1,0,0,0,0|3,0,0]=4 2551 B11R0.180 C[N+](C)(C)CCCC(=O)CCO 1458a_100011216618_100016990835 [0,1,0,0,0,0|3,0,0]=4 2552 B11R0.180 C[N+](C)(C)CCNC(=O)CCO 240690a_100000106457_100011216618 [0,1,0,0,0,0|3,0,0]=4 2553 B11R0.180 C[Si](C)(C)CCCC(=O)CCO 1458a_100011216618_100011219597 [0,1,0,0,0,0|2,1,0]=4 2554 B11R1.15 C#CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100011220946 [0,0,0,1,0,0|1,0,2]=4 2555 B11R1.15 C=CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210193 [0,0,0,1,0,0|1,0,2]=4 2556 B11R1.15 C=CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210193 [0,0,0,1,0,0|1,0,2]=4 2557 B11R1.15 C=CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210193 [0,0,0,1,0,0|1,0,2]=4 2558 B11R1.15 CC=CC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210699 [0,0,0,1,0,0|1,0,2]=4 2559 B11R1.15 CC=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210699 [0,0,0,1,0,0|1,0,2]=4 2560 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,0,0,1,0,0|2,0,0]=3 2561 B11R1.15 CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210303 [0,0,0,1,0,0|2,0,0]=3 2562 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,0,0,1,0,0|2,0,0]=3 2563 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,0,0,1,0,0|2,0,0]=3 2564 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000211992 [0,0,0,1,0,0|2,0,0]=3 2565 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000211992 [0,0,0,1,0,0|2,0,0]=3 2566 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211992 [0,0,0,1,0,0|2,0,0]=3 2567 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000211992 [0,0,0,1,0,0|2,0,0]=3 2568 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211992 [0,0,0,1,0,0|1,0,0]=2 2569 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211992 [0,0,0,1,0,0|1,0,0]=2 2570 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211992 [0,0,0,1,0,0|1,0,0]=2 2571 B11R1.15 CCCC(C)N1CC[C@H](C1)C 2230a_100016987628_100000766640 [0,0,0,1,0,0|2,0,1]=4 2572 B11R1.15 CCCC(C)N1CC[C@H](C1)C 269982a_100016987628_100000766640 [0,0,0,1,0,0|2,0,1]=4 2573 B11R1.15 CCCC(C)N1CC[C@H](C1)C 270004a_100016987628_100000211909 [0,0,0,1,0,0|2,0,1]=4 2574 B11R1.15 CCCC(C)N1CC[C@H](C1)C 34a_100016987628_100000766640 [0,0,0,1,0,0|2,0,1]=4 2575 B11R1.15 CCCN(C)C1CCC(C1)C 270004a_100000747261_100011215218 [0,0,0,1,0,0|3,0,0]=4 2576 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [0,0,0,1,0,0|3,0,0]=4 2577 B11R1.15 CCNC(=O)C1CCN(C1)C 240690a_100015525214_100000739633 [0,0,0,1,0,0|3,0,0]=4 2578 B11R1.15 CCNC(=O)C1CCN(C1)C 527a_100015525214_100000739633 [0,0,0,1,0,0|3,0,0]=4 2579 B11R1.15 CCNC(=O)N1CCC(C1)O 2708a_100015525214_100011215560 [0,0,0,1,0,0|3,0,0]=4 2580 B11R1.15 CCNC(=O)N1CCC(C1)O 273464a_100015525214_100011215560 [0,0,0,1,0,0|3,0,0]=4 2581 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 2708a_100015525214_100015203821 [0,0,0,1,0,0|3,0,0]=4 2582 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 273464a_100015525214_100015203821 [0,0,0,1,0,0|3,0,0]=4 2583 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 2708a_100015525214_100016987628 [0,0,0,1,0,0|2,0,0]=3 2584 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 273464a_100015525214_100016987628 [0,0,0,1,0,0|2,0,0]=3 2585 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,0,0,1,0,0|3,0,0]=4 2586 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,0,0,1,0,0|3,0,0]=4 2587 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,0,0,1,0,0|3,0,0]=4 2588 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,0,0,1,0,0|3,0,0]=4 2589 B11R1.15 CN1CCC(C1)C(=O)CCF 1458a_100000739633_100011217306 [0,0,0,1,0,0|3,0,0]=4 2590 B11R1.15 CN1CCC(C1)C(=O)CCO 1458a_100000739633_100000211926 [0,0,0,1,0,0|3,0,0]=4 2591 B11R1.15 COCC(=O)N1CCC(C1)O 240690a_100011215560_100000210968 [0,0,0,1,0,0|3,0,0]=4 2592 B11R1.15 COCC(=O)N1CCC(C1)O 527a_100011215560_100000210968 [0,0,0,1,0,0|3,0,0]=4 2593 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210968 [0,0,0,1,0,0|3,0,0]=4 2594 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210968 [0,0,0,1,0,0|3,0,0]=4 2595 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210968 [0,0,0,1,0,0|3,0,0]=4 2596 B11R1.15 COCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210968 [0,0,0,1,0,0|3,0,0]=4 2597 B11R1.15 COCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210968 [0,0,0,1,0,0|2,0,0]=3 2598 B11R1.15 COCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210968 [0,0,0,1,0,0|2,0,0]=3 2599 B11R1.15 COCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210968 [0,0,0,1,0,0|2,0,0]=3 2600 B11R1.15 CSCC(=O)N1CCC(C1)O 240690a_100011215560_100000184570 [0,0,0,1,0,0|3,0,0]=4 2601 B11R1.15 CSCC(=O)N1CCC(C1)O 527a_100011215560_100000184570 [0,0,0,1,0,0|3,0,0]=4 2602 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000184570 [0,0,0,1,0,0|3,0,0]=4 2603 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000184570 [0,0,0,1,0,0|3,0,0]=4 2604 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000184570 [0,0,0,1,0,0|3,0,0]=4 2605 B11R1.15 CSCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000184570 [0,0,0,1,0,0|3,0,0]=4 2606 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000184570 [0,0,0,1,0,0|2,0,0]=3 2607 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000184570 [0,0,0,1,0,0|2,0,0]=3 2608 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000184570 [0,0,0,1,0,0|2,0,0]=3 2609 B11R1.15 C[C@@H]1CCN(C1)C(=O)CC#N 240690a_100016987628_100051588842 [0,0,0,1,0,0|2,0,1]=4 2610 B11R1.15 C[C@@H]1CCN(C1)C(=O)CCO 240690a_100016987628_100011216618 [0,0,0,1,0,0|2,0,0]=3 2611 B11R1.15 O=C(CCF)C1CCC(C1)O 1458a_100000688591_100011217306 [0,0,0,1,0,0|3,0,0]=4 2612 B11R1.15 O=C(CCO)C1CCC(C1)O 1458a_100000688591_100000211926 [0,0,0,1,0,0|3,0,0]=4 2613 B11R1.15 O=C(CCO)N1CCC(C1)O 240690a_100011215560_100011216618 [0,0,0,1,0,0|3,0,0]=4 2614 B11R1.15 O=C(CCO)N1CC[C@@H](C1)F 240690a_100015203821_100011216618 [0,0,0,1,0,0|3,0,0]=4 2615 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000070787_100000742232 [0,0,0,1,0,0|2,0,1]=4 2616 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000751031_200000210301 [0,0,0,1,0,0|2,0,1]=4 2617 B11R1.90 CC(Br)COC1CCCC1=O 34a_100012180447_100000709159 [0,0,0,1,0,0|3,0,0]=4 2618 B11R1.90 CC(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000210312 [0,0,0,1,0,0|2,0,1]=4 2619 B11R1.90 CC(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000210312 [0,0,0,1,0,0|2,0,1]=4 2620 B11R1.90 CC(C)CCN1CCC[C@H]1C 2230a_100015189458_100000210312 [0,0,0,1,0,0|2,0,1]=4 2621 B11R1.90 CC(C)CCN1CCC[C@H]1C 269982a_100015189458_100000210312 [0,0,0,1,0,0|2,0,1]=4 2622 B11R1.90 CC(C)CCN1CCC[C@H]1C 34a_100015189458_100000210312 [0,0,0,1,0,0|2,0,1]=4 2623 B11R1.90 CC(C)CNC1CCCC1=O 2230a_100000210953_100000211823 [0,0,0,1,0,0|2,0,0]=3 2624 B11R1.90 CC(C)CNC1CCCC1=O 34a_100000210953_100000709159 [0,0,0,1,0,0|2,0,0]=3 2625 B11R1.90 CC(C)CNC1CCNC1=O 2230a_100016995588_100000210760 [0,0,0,1,0,0|3,0,0]=4 2626 B11R1.90 CC(C)CNC1CCNC1=O 270004a_100016995588_100000210432 [0,0,0,1,0,0|3,0,0]=4 2627 B11R1.90 CC(C)CNC1CCNC1=O 34a_100016995588_100000210624 [0,0,0,1,0,0|3,0,0]=4 2628 B11R1.90 CC(C)CNC1CCOC1=O 2230a_100000210953_100000211211 [0,0,0,1,0,0|3,0,0]=4 2629 B11R1.90 CC(C)CNC1CCOC1=O 34a_100000210953_100000211211 [0,0,0,1,0,0|3,0,0]=4 2630 B11R1.90 CC(C)COC1CCCC1=O 34a_100000210257_100000709159 [0,0,0,1,0,0|2,0,0]=3 2631 B11R1.90 CC(C)COC1CCCC1=O 34a_200000719330_100000210624 [0,0,0,1,0,0|2,0,0]=3 2632 B11R1.90 CC(C)COC1CCOC1=O 34a_100000210257_100000211211 [0,0,0,1,0,0|3,0,0]=4 2633 B11R1.90 CC(C)CO[C@H]1CCNC1=O 34a_100000688343_100000210624 [0,0,0,1,0,0|3,0,0]=4 2634 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000210624_100000211823 [0,0,0,1,0,0|2,0,0]=3 2635 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000211823_100000210760 [0,0,0,1,0,0|2,0,0]=3 2636 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000210624_100000211211 [0,0,0,1,0,0|3,0,0]=4 2637 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000211211_100000210760 [0,0,0,1,0,0|3,0,0]=4 2638 B11R1.90 CC(C)OCC1=CCCC1=O 34a_100000087531_100000210206 [0,0,0,1,0,0|2,0,1]=4 2639 B11R1.90 CC(C)OCC1CCNC1=O 34a_100000133458_100000210206 [0,0,0,1,0,0|3,0,0]=4 2640 B11R1.90 CC(C)SCN1CCCC1=O 62a_100000026320_100000210206 [0,0,0,1,0,0|2,0,0]=3 2641 B11R1.90 CC(C)SCN1CCCC1=O 62a_100000210206_100000026320 [0,0,0,1,0,0|2,0,0]=3 2642 B11R1.90 CC(F)COC1CCCC1=O 34a_100015925927_100000709159 [0,0,0,1,0,0|3,0,0]=4 2643 B11R1.90 CC(O)CNC1CCCC1=O 2230a_100000210904_100000211823 [0,0,0,1,0,0|3,0,0]=4 2644 B11R1.90 CC(O)CNC1CCCC1=O 34a_100000210904_100000709159 [0,0,0,1,0,0|3,0,0]=4 2645 B11R1.90 CC(O)COC1CCCC1=O 34a_200000719330_100011218427 [0,0,0,1,0,0|3,0,0]=4 2646 B11R1.90 CC(O)CSC1CCCC1=O 62a_100000211823_100011218427 [0,0,0,1,0,0|3,0,0]=4 2647 B11R1.90 CC(O)CSC1CCCC1=O 62a_100011218427_100000211823 [0,0,0,1,0,0|3,0,0]=4 2648 B11R1.90 CN(C)CCN1CCCC1=O 2230a_100102631434_100000739059 [0,0,0,1,0,0|2,0,0]=3 2649 B11R1.90 CN(C)CCN1CCCC1=O 269982a_100102631434_100000739059 [0,0,0,1,0,0|2,0,0]=3 2650 B11R1.90 CN(C)CCN1CCNC1=O 2230a_100102631434_100000090651 [0,0,0,1,0,0|3,0,0]=4 2651 B11R1.90 CN(C)CCN1CCNC1=O 269982a_100102631434_100000090651 [0,0,0,1,0,0|3,0,0]=4 2652 B11R1.90 C[C@@H](Cl)COC1CCCC1=O 34a_100016084084_100000709159 [0,0,0,1,0,0|3,0,0]=4 2653 B11R1.90 C[C@@H](N)COC1CCCC1=O 34a_100000737577_100000709159 [0,0,0,1,0,0|3,0,0]=4 2654 B11R1.90 C[C@@H](O)COC1CCCC1=O 34a_200000719330_100009817552 [0,0,0,1,0,0|3,0,0]=4 2655 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100000211823_100009817552 [0,0,0,1,0,0|3,0,0]=4 2656 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100009817552_100000211823 [0,0,0,1,0,0|3,0,0]=4 2657 B11R1.90 [13CH3]C(=O)CCN1CCCC1=O 1458a_100000751031_200025704644 [0,0,0,1,0,0|2,0,1]=4 2658 B11R1.120 CCCN1CC(C1)CC(C)C 2230a_214813039686_100000210303 [0,0,0,1,0,0|3,0,0]=4 2659 B11R1.120 CCCN1CC(C1)CC(C)C 269982a_214813039686_100000210303 [0,0,0,1,0,0|3,0,0]=4 2660 B11R1.120 CCCN1CC(C1)CC(C)C 34a_214813039686_100000210303 [0,0,0,1,0,0|3,0,0]=4 2661 B11R1.124 CCCc1nc(no1)C(C)C 270196a_100000210513_100000211992 [0,0,0,1,0,0|2,0,1]=4 2662 B11R1.135 CCCN1CCCC(CC1)C 2230a_100025706717_100000210303 [0,0,0,1,0,0|3,0,0]=4 2663 B11R1.135 CCCN1CCCC(CC1)C 269982a_100025706717_100000210303 [0,0,0,1,0,0|3,0,0]=4 2664 B11R1.135 CCCN1CCCC(CC1)C 34a_100025706717_100000210303 [0,0,0,1,0,0|3,0,0]=4 2665 B11R1.154 CC(C)CCCN1CC(C1)C 2230a_100000702820_100011214892 [0,0,0,1,0,0|3,0,0]=4 2666 B11R1.154 CC(C)CCCN1CC(C1)C 269982a_100000702820_100011214892 [0,0,0,1,0,0|3,0,0]=4 2667 B11R1.154 CC(C)CCCN1CC(C1)C 34a_100000702820_100011214892 [0,0,0,1,0,0|3,0,0]=4 2668 B11R1.157 CC(C)CN1CCNC(=O)C1 2230a_100000184651_100000210760 [0,0,0,1,0,0|3,0,0]=4 2669 B11R1.157 CC(C)CN1CCNC(=O)C1 270004a_100000184651_100000210432 [0,0,0,1,0,0|3,0,0]=4 2670 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,0,0,1,0,0|3,0,0]=4 2671 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,0,0,1,0,0|3,0,0]=4 2672 B11R1.157 CC(C)NC1CCNC(=O)C1 2230a_100016994916_100000210206 [0,0,0,1,0,0|3,0,0]=4 2673 B11R1.157 CC(C)NC1CCNC(=O)C1 34a_100016994916_100000210206 [0,0,0,1,0,0|3,0,0]=4 2674 B11R1.157 CC(C)OC1CCCC(=O)C1 34a_100012613340_100000210206 [0,0,0,1,0,0|2,0,0]=3 2675 B11R1.157 CC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100000210206 [0,0,0,1,0,0|3,0,0]=4 2676 B11R1.157 CC1=CC(CCC1)OC(C)C 34a_100011218613_100000210206 [0,0,0,1,0,0|3,0,0]=4 2677 B11R1.172 CC(Br)CCOC1CCCC1 34a_100009893172_100000179811 [0,0,0,1,0,0|2,0,1]=4 2678 B11R1.172 CC(C)CCCN1CCCC1 2230a_100000188435_100011214892 [0,0,0,1,0,0|3,0,0]=4 2679 B11R1.172 CC(C)CCCN1CCCC1 269982a_100000188435_100011214892 [0,0,0,1,0,0|3,0,0]=4 2680 B11R1.172 CC(C)CCNC1CCCC1 2230a_100000211070_100000210312 [0,0,0,1,0,0|2,0,1]=4 2681 B11R1.172 CC(C)CCNC1CCCC1 269862a_100000211070_100000185833 [0,0,0,1,0,0|2,0,1]=4 2682 B11R1.172 CC(C)CCNC1CCCC1 270004a_100000210545_100000210133 [0,0,0,1,0,0|2,0,1]=4 2683 B11R1.172 CC(C)CCNC1CCCC1 34a_100000211070_100000210312 [0,0,0,1,0,0|2,0,1]=4 2684 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210254_100000179811 [0,0,0,1,0,0|1,0,1]=3 2685 B11R1.172 CC(C)CCOC1CCCC1 34a_100000210269_100000210312 [0,0,0,1,0,0|1,0,1]=3 2686 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210254_100000179811 [0,0,0,1,0,0|1,0,1]=3 2687 B11R1.172 CC(C)CCOC1CCCC1 7a_100000210269_100000210626 [0,0,0,1,0,0|1,0,1]=3 2688 B11R1.172 CC(C)CCOC1CCCO1 34a_100000085407_100000210312 [0,0,0,1,0,0|0,0,2]=3 2689 B11R1.172 CC(C)CCOC1CCOC1 34a_100000210254_100000690089 [0,0,0,1,0,0|2,0,1]=4 2690 B11R1.172 CC(C)CCOC1CCOC1 7a_100000210254_100000731011 [0,0,0,1,0,0|2,0,1]=4 2691 B11R1.172 CC(C)CCOC1CCSC1 7a_100011232664_100000210626 [0,0,0,1,0,0|2,0,1]=4 2692 B11R1.172 CC(C)CCO[C@H]1CCOC1 34a_100000717292_100000210312 [0,0,0,1,0,0|2,0,1]=4 2693 B11R1.172 CC(C)CCSC1CCCC1 62a_100000210312_100000179811 [0,0,0,1,0,0|1,1,1]=4 2694 B11R1.172 CC(C)CCSC1CCCC1 62a_100011217020_100000210312 [0,0,0,1,0,0|1,1,1]=4 2695 B11R1.172 CC(C)OCOC1CCCC1 34a_100000210269_100000709892 [0,0,0,1,0,0|2,0,1]=4 2696 B11R1.172 CC(C)OCOC1CCCO1 34a_100000085407_100000709892 [0,0,0,1,0,0|1,0,2]=4 2697 B11R1.172 CC(O)CCOC1CCCC1 34a_100000210269_100012276601 [0,0,0,1,0,0|2,0,1]=4 2698 B11R1.172 CC(O)CCOC1CCCC1 7a_100000210269_100012276601 [0,0,0,1,0,0|2,0,1]=4 2699 B11R1.172 CC(O)CCOC1CCCO1 34a_100000085407_100012276601 [0,0,0,1,0,0|1,0,2]=4 2700 B11R1.172 CN(C)CCOC1CCCC1 7a_100000210269_100000755713 [0,0,0,1,0,0|2,0,1]=4 2701 B11R1.172 C[C@@H](N)CCOC1CCCC1 34a_100000706166_100000179811 [0,0,0,1,0,0|2,0,1]=4 2702 B11R1.201 C=C1CC(C1)NC(=O)CCC 11a_100132301982_100000211992 [0,0,0,1,0,0|1,0,2]=4 2703 B11R1.201 C=C1CC(C1)NC(=O)CCC 1626a_100132301982_100000211992 [0,0,0,1,0,0|1,0,2]=4 2704 B11R1.201 C=C1CC(C1)NC(=O)CCC 527a_100132301982_100000211992 [0,0,0,1,0,0|1,0,2]=4 2705 B11R1.201 CCCC(=O)CC1CC(=O)C1 1458a_100000211992_100009874392 [0,0,0,1,0,0|2,0,1]=4 2706 B11R1.201 CCCC(=O)CN1CC(C1)C 2230a_100000702820_100000747444 [0,0,0,1,0,0|2,0,0]=3 2707 B11R1.201 CCCC(=O)CN1CC(C1)C 269982a_100000702820_100000747444 [0,0,0,1,0,0|2,0,0]=3 2708 B11R1.201 CCCC(=O)CN1CC(C1)F 2230a_100000690557_100000747444 [0,0,0,1,0,0|3,0,0]=4 2709 B11R1.201 CCCC(=O)CN1CC(C1)F 269982a_100000690557_100000747444 [0,0,0,1,0,0|3,0,0]=4 2710 B11R1.201 CCCC(=O)CN1CC(C1)O 269982a_100000749847_100000747444 [0,0,0,1,0,0|3,0,0]=4 2711 B11R1.201 CCCC(=O)NC1CC(C1)F 11a_100016993743_100000211992 [0,0,0,1,0,0|2,0,0]=3 2712 B11R1.201 CCCC(=O)NC1CC(C1)F 1626a_100016993743_100000211992 [0,0,0,1,0,0|2,0,0]=3 2713 B11R1.201 CCCC(=O)NC1CC(C1)F 240690a_100016993743_100000211992 [0,0,0,1,0,0|2,0,0]=3 2714 B11R1.201 CCCC(=O)NC1CC(C1)F 527a_100016993743_100000211992 [0,0,0,1,0,0|2,0,0]=3 2715 B11R1.201 CCCC(=O)NC1CN(C1)C 240690a_100015196640_100000211992 [0,0,0,1,0,0|2,0,0]=3 2716 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000211992 [0,0,0,1,0,0|2,0,0]=3 2717 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000211992 [0,0,0,1,0,0|2,0,0]=3 2718 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000211992 [0,0,0,1,0,0|2,0,0]=3 2719 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000211992 [0,0,0,1,0,0|2,0,0]=3 2720 B11R1.201 CCNC(=O)CN1CC(C1)C 2230a_100000702820_100000183381 [0,0,0,1,0,0|3,0,0]=4 2721 B11R1.201 CCNC(=O)CN1CC(C1)C 269982a_100000702820_100000183381 [0,0,0,1,0,0|3,0,0]=4 2722 B11R1.201 CCNC(=O)CN1CC(C1)C 34a_100000702820_100000183381 [0,0,0,1,0,0|3,0,0]=4 2723 B11R1.201 CCNC(=O)NC1CC(C1)F 2708a_100015525214_100016993743 [0,0,0,1,0,0|3,0,0]=4 2724 B11R1.201 CCNC(=O)NC1CC(C1)F 2708a_100016993743_100015525214 [0,0,0,1,0,0|3,0,0]=4 2725 B11R1.201 CCNC(=O)NC1CC(C1)F 273464a_100015525214_100016993743 [0,0,0,1,0,0|3,0,0]=4 2726 B11R1.201 CCNC(=O)NC1CC(C1)F 273464a_100016993743_100015525214 [0,0,0,1,0,0|3,0,0]=4 2727 B11R1.201 CCNC(=O)NC1CC(C1)F 512a_100015525214_100016993743 [0,0,0,1,0,0|3,0,0]=4 2728 B11R1.201 CCNC(=O)NC1CC(C1)F 512a_100016993743_100015525214 [0,0,0,1,0,0|3,0,0]=4 2729 B11R1.201 CCNC(=O)NC1CN(C1)C 2708a_100015196640_100015525214 [0,0,0,1,0,0|3,0,0]=4 2730 B11R1.201 CCNC(=O)NC1CN(C1)C 2708a_100015525214_100015196640 [0,0,0,1,0,0|3,0,0]=4 2731 B11R1.201 CCNC(=O)NC1CN(C1)C 273464a_100015196640_100015525214 [0,0,0,1,0,0|3,0,0]=4 2732 B11R1.201 CCNC(=O)NC1CN(C1)C 273464a_100015525214_100015196640 [0,0,0,1,0,0|3,0,0]=4 2733 B11R1.201 CCNC(=O)NC1CN(C1)C 512a_100015196640_100015525214 [0,0,0,1,0,0|3,0,0]=4 2734 B11R1.201 CCNC(=O)NC1CN(C1)C 512a_100015525214_100015196640 [0,0,0,1,0,0|3,0,0]=4 2735 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100015525214_100020629032 [0,0,0,1,0,0|3,0,0]=4 2736 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100015525214_100020629032 [0,0,0,1,0,0|3,0,0]=4 2737 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100015525214 [0,0,0,1,0,0|3,0,0]=4 2738 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100015525214_100020629032 [0,0,0,1,0,0|3,0,0]=4 2739 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100015525214 [0,0,0,1,0,0|3,0,0]=4 2740 B11R1.201 CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000188475 [0,0,0,1,0,0|3,0,0]=4 2741 B11R1.201 CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000188475 [0,0,0,1,0,0|3,0,0]=4 2742 B11R1.201 CCOC(=O)CN1CC(C1)C 34a_100000702820_100000188475 [0,0,0,1,0,0|3,0,0]=4 2743 B11R1.201 CN1CC(C1)NC(=O)CCO 240690a_100015196640_100011216618 [0,0,0,1,0,0|3,0,0]=4 2744 B11R1.201 COCC(=O)NC1CC(C1)F 11a_100016993743_100000210968 [0,0,0,1,0,0|3,0,0]=4 2745 B11R1.201 COCC(=O)NC1CC(C1)F 1626a_100016993743_100000210968 [0,0,0,1,0,0|3,0,0]=4 2746 B11R1.201 COCC(=O)NC1CC(C1)F 240690a_100016993743_100000210968 [0,0,0,1,0,0|3,0,0]=4 2747 B11R1.201 COCC(=O)NC1CC(C1)F 527a_100016993743_100000210968 [0,0,0,1,0,0|3,0,0]=4 2748 B11R1.201 COCC(=O)NC1CN(C1)C 240690a_100015196640_100000210968 [0,0,0,1,0,0|3,0,0]=4 2749 B11R1.201 COCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210968 [0,0,0,1,0,0|3,0,0]=4 2750 B11R1.201 COCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210968 [0,0,0,1,0,0|3,0,0]=4 2751 B11R1.201 COCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210968 [0,0,0,1,0,0|3,0,0]=4 2752 B11R1.201 COCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210968 [0,0,0,1,0,0|3,0,0]=4 2753 B11R1.201 CSCC(=O)NC1CC(C1)F 11a_100016993743_100000184570 [0,0,0,1,0,0|3,0,0]=4 2754 B11R1.201 CSCC(=O)NC1CC(C1)F 1626a_100016993743_100000184570 [0,0,0,1,0,0|3,0,0]=4 2755 B11R1.201 CSCC(=O)NC1CC(C1)F 240690a_100016993743_100000184570 [0,0,0,1,0,0|3,0,0]=4 2756 B11R1.201 CSCC(=O)NC1CC(C1)F 527a_100016993743_100000184570 [0,0,0,1,0,0|3,0,0]=4 2757 B11R1.201 CSCC(=O)NC1CN(C1)C 240690a_100015196640_100000184570 [0,0,0,1,0,0|3,0,0]=4 2758 B11R1.201 CSCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000184570 [0,0,0,1,0,0|3,0,0]=4 2759 B11R1.201 CSCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000184570 [0,0,0,1,0,0|3,0,0]=4 2760 B11R1.201 CSCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000184570 [0,0,0,1,0,0|3,0,0]=4 2761 B11R1.201 CSCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000184570 [0,0,0,1,0,0|3,0,0]=4 2762 B11R1.201 O=C(CCO)NC1CC(C1)F 240690a_100016993743_100011216618 [0,0,0,1,0,0|3,0,0]=4 2763 B11R1.201 O=C(CCO)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100011216618 [0,0,0,1,0,0|3,0,0]=4 2764 B11R1.288 CC(CCO)OCC1CC1C 34a_100000744939_100009893172 [0,0,0,1,0,0|2,0,1]=4 2765 B11R1.288 CC(CCO)OCC1CC1C 7a_100000744939_100009893172 [0,0,0,1,0,0|2,0,1]=4 2766 B11R1.288 CCCC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747444 [0,0,0,1,0,0|3,0,0]=4 2767 B11R1.288 CCCC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747444 [0,0,0,1,0,0|3,0,0]=4 2768 B11R1.288 CCCC(C)OCC1CC1C 34a_100000744939_100000766640 [0,0,0,1,0,0|1,0,1]=3 2769 B11R1.288 CCCC(C)OCC1CC1C 7a_100000744939_100000766640 [0,0,0,1,0,0|1,0,1]=3 2770 B11R1.288 COCC(C)OCC1CC1C 34a_100000744939_100000765312 [0,0,0,1,0,0|2,0,1]=4 2771 B11R1.288 COCC(C)OCC1CC1C 7a_100000744939_100000765312 [0,0,0,1,0,0|2,0,1]=4 2772 B11R1.290 C#CCC(=O)NCCC1CC1 1626a_100000764129_100011220946 [0,0,0,1,0,0|1,0,2]=4 2773 B11R1.290 C#CCC(=O)NCCC1CC1 527a_100000764129_100011220946 [0,0,0,1,0,0|1,0,2]=4 2774 B11R1.290 C=CCC(=O)NCCC1CC1 1626a_100000764129_100000210193 [0,0,0,1,0,0|1,0,2]=4 2775 B11R1.290 C=CCC(=O)NCCC1CC1 240690a_100000764129_100000210193 [0,0,0,1,0,0|1,0,2]=4 2776 B11R1.290 C=CCC(=O)NCCC1CC1 527a_100000764129_100000210193 [0,0,0,1,0,0|1,0,2]=4 2777 B11R1.290 CC(CCBr)OCCC1CC1 34a_100012276601_100000694398 [0,0,0,1,0,0|2,0,1]=4 2778 B11R1.290 CC(CCO)OCCC1CC1 34a_100000754188_100009893172 [0,0,0,1,0,0|2,0,1]=4 2779 B11R1.290 CC(CCO)OCCC1CC1 7a_100000754188_100009893172 [0,0,0,1,0,0|2,0,1]=4 2780 B11R1.290 CC=CC(=O)NCCC1CC1 1626a_100000764129_100000210699 [0,0,0,1,0,0|1,0,2]=4 2781 B11R1.290 CC=CC(=O)NCCC1CC1 240690a_100000764129_100000210699 [0,0,0,1,0,0|1,0,2]=4 2782 B11R1.290 CCCC(=NNCC1CC1)C 4a_100000736359_100000211909 [0,0,0,1,0,0|3,0,0]=4 2783 B11R1.290 CCCC(=O)CC#CC1CC1 1458a_100000211992_100009895102 [0,0,0,1,0,0|1,0,2]=4 2784 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,0,0,1,0,0|2,0,0]=3 2785 B11R1.290 CCCC(=O)CNCC1CC1 2230a_100000735609_100000747444 [0,0,0,1,0,0|2,0,0]=3 2786 B11R1.290 CCCC(=O)CSCC1CC1 1458a_200011316215_100000210303 [0,0,0,1,0,0|2,0,0]=3 2787 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000747444_100000742324 [0,0,0,1,0,0|2,0,0]=3 2788 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000756562_100000747444 [0,0,0,1,0,0|2,0,0]=3 2789 B11R1.290 CCCC(=O)CSCC1CO1 62a_100000747444_102125554688 [0,0,0,1,0,0|3,0,0]=4 2790 B11R1.290 CCCC(=O)CSCC1CO1 62a_102125554688_100000747444 [0,0,0,1,0,0|3,0,0]=4 2791 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000031435_100000747444 [0,0,0,1,0,0|3,0,0]=4 2792 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000747444_100000031435 [0,0,0,1,0,0|3,0,0]=4 2793 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747444 [0,0,0,1,0,0|3,0,0]=4 2794 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000747444_100000745022 [0,0,0,1,0,0|3,0,0]=4 2795 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [0,0,0,1,0,0|1,0,0]=2 2796 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [0,0,0,1,0,0|1,0,0]=2 2797 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [0,0,0,1,0,0|1,0,0]=2 2798 B11R1.290 CCCC(=O)NN=CC1CC1 4a_100000189770_100000741477 [0,0,0,1,0,0|2,0,1]=4 2799 B11R1.290 CCCC(=O)NNCC1CC1 22a_100000736359_100000211992 [0,0,0,1,0,0|2,0,0]=3 2800 B11R1.290 CCCC(=O)OCNC1CC1 34a_100000212008_100000034017 [0,0,0,1,0,0|1,0,0]=2 2801 B11R1.290 CCCC(C)NCCC1CC1 2230a_100000741246_100000694398 [0,0,0,1,0,0|2,0,1]=4 2802 B11R1.290 CCCC(C)NCCC1CC1 270004a_100000764129_100000211909 [0,0,0,1,0,0|2,0,1]=4 2803 B11R1.290 CCCC(C)NCCC1CC1 34a_100000764129_100000766640 [0,0,0,1,0,0|2,0,1]=4 2804 B11R1.290 CCCC(C)OCCC1CC1 34a_100000754188_100000766640 [0,0,0,1,0,0|1,0,1]=3 2805 B11R1.290 CCCC(C)OCCC1CC1 34a_100000764384_100000694398 [0,0,0,1,0,0|1,0,1]=3 2806 B11R1.290 CCCC(C)OCCC1CC1 7a_100000754188_100000766640 [0,0,0,1,0,0|1,0,1]=3 2807 B11R1.290 CCCC(C)OCCC1CC1 7a_100000764384_100000764125 [0,0,0,1,0,0|1,0,1]=3 2808 B11R1.290 CCCC(C)OCCC1CO1 34a_100000764384_100000732470 [0,0,0,1,0,0|2,0,1]=4 2809 B11R1.290 CCCC(C)OCCC1CO1 7a_100000764384_100000732470 [0,0,0,1,0,0|2,0,1]=4 2810 B11R1.290 CCCC(C)OCC[C@@H]1CO1 34a_100009820653_100000766640 [0,0,0,1,0,0|2,0,1]=4 2811 B11R1.290 CCCC(C)SCCC1CC1 62a_100000764125_100000766640 [0,0,0,1,0,0|1,1,1]=4 2812 B11R1.290 CCCC(C)SCCC1CC1 62a_100000766640_100000764125 [0,0,0,1,0,0|1,1,1]=4 2813 B11R1.290 CCNC(=O)CCNC1CC1 34a_100025743525_100000211595 [0,0,0,1,0,0|3,0,0]=4 2814 B11R1.290 CCNC(=O)CCSC1CC1 62a_100000737597_100000211595 [0,0,0,1,0,0|3,0,0]=4 2815 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100000735609_100000183381 [0,0,0,1,0,0|3,0,0]=4 2816 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100016988866_100000742324 [0,0,0,1,0,0|3,0,0]=4 2817 B11R1.290 CCNC(=O)CNCC1CC1 34a_100000735609_100000183381 [0,0,0,1,0,0|3,0,0]=4 2818 B11R1.290 CCNC(=O)COCC1CC1 34a_100000211283_100000183381 [0,0,0,1,0,0|3,0,0]=4 2819 B11R1.290 CCNC(=O)CSCC1CC1 11a_100015525214_200011316215 [0,0,0,1,0,0|3,0,0]=4 2820 B11R1.290 CCNC(=O)CSCC1CC1 240690a_100015525214_200011316215 [0,0,0,1,0,0|3,0,0]=4 2821 B11R1.290 CCNC(=O)CSCC1CC1 527a_100015525214_200011316215 [0,0,0,1,0,0|3,0,0]=4 2822 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000183381_100000742324 [0,0,0,1,0,0|3,0,0]=4 2823 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000756562_100000183381 [0,0,0,1,0,0|3,0,0]=4 2824 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100000764129_100015525214 [0,0,0,1,0,0|2,0,0]=3 2825 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100015525214_100000764129 [0,0,0,1,0,0|2,0,0]=3 2826 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100000764129_100015525214 [0,0,0,1,0,0|2,0,0]=3 2827 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100015525214_100000764129 [0,0,0,1,0,0|2,0,0]=3 2828 B11R1.290 CCNC(=O)NCCC1CC1 512a_100000764129_100015525214 [0,0,0,1,0,0|2,0,0]=3 2829 B11R1.290 CCNC(=O)NCCC1CC1 512a_100015525214_100000764129 [0,0,0,1,0,0|2,0,0]=3 2830 B11R1.290 CCNC(=O)NNCC1CC1 273464a_100015525214_100000736359 [0,0,0,1,0,0|3,0,0]=4 2831 B11R1.290 CCNC(=O)NNCC1CC1 512a_100000736359_100015525214 [0,0,0,1,0,0|3,0,0]=4 2832 B11R1.290 CCNC(=O)NNCC1CC1 512a_100015525214_100000736359 [0,0,0,1,0,0|3,0,0]=4 2833 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [0,0,0,1,0,0|3,0,0]=4 2834 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [0,0,0,1,0,0|3,0,0]=4 2835 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [0,0,0,1,0,0|3,0,0]=4 2836 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [0,0,0,1,0,0|3,0,0]=4 2837 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [0,0,0,1,0,0|3,0,0]=4 2838 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [0,0,0,1,0,0|3,0,0]=4 2839 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [0,0,0,1,0,0|3,0,0]=4 2840 B11R1.290 CNNC(=O)NCCC1CC1 273464a_100000764129_100016993582 [0,0,0,1,0,0|3,0,0]=4 2841 B11R1.290 CNNC(=O)NCCC1CC1 512a_100000764129_100016993582 [0,0,0,1,0,0|3,0,0]=4 2842 B11R1.290 CNNC(=O)NCCC1CC1 512a_100016993582_100000764129 [0,0,0,1,0,0|3,0,0]=4 2843 B11R1.290 COCC(=O)CCCC1CO1 1458a_100000210968_100000733510 [0,0,0,1,0,0|3,0,0]=4 2844 B11R1.290 COCC(=O)NCCC1CC1 1626a_100000764129_100000210968 [0,0,0,1,0,0|2,0,0]=3 2845 B11R1.290 COCC(=O)NCCC1CC1 240690a_100000764129_100000210968 [0,0,0,1,0,0|2,0,0]=3 2846 B11R1.290 COCC(=O)NCCC1CC1 527a_100000764129_100000210968 [0,0,0,1,0,0|2,0,0]=3 2847 B11R1.290 COCC(=O)NNCC1CC1 22a_100000736359_100000210968 [0,0,0,1,0,0|3,0,0]=4 2848 B11R1.290 COCC(C)OCCC1CC1 34a_100000754188_100000765312 [0,0,0,1,0,0|2,0,1]=4 2849 B11R1.290 COCC(C)OCCC1CC1 7a_100000754188_100000765312 [0,0,0,1,0,0|2,0,1]=4 2850 B11R1.290 COC[C@@H](C)OCCC1CC1 34a_100011934205_100000694398 [0,0,0,1,0,0|2,0,1]=4 2851 B11R1.290 CSCC(=O)CCCC1CO1 1458a_100000184570_100000733510 [0,0,0,1,0,0|3,0,0]=4 2852 B11R1.290 CSCC(=O)NCCC1CC1 1626a_100000764129_100000184570 [0,0,0,1,0,0|2,0,0]=3 2853 B11R1.290 CSCC(=O)NCCC1CC1 240690a_100000764129_100000184570 [0,0,0,1,0,0|2,0,0]=3 2854 B11R1.290 CSCC(=O)NCCC1CC1 527a_100000764129_100000184570 [0,0,0,1,0,0|2,0,0]=3 2855 B11R1.290 CSCC(=O)NNCC1CC1 22a_100000736359_100000184570 [0,0,0,1,0,0|3,0,0]=4 2856 B11R1.290 N#CCC(=O)NCCC1CC1 1626a_100000764129_100051588842 [0,0,0,1,0,0|2,0,1]=4 2857 B11R1.290 N#CCC(=O)NCCC1CC1 240690a_100000764129_100051588842 [0,0,0,1,0,0|2,0,1]=4 2858 B11R1.290 O=C(CCF)CSCC1CC1 1458a_200011316215_100011217306 [0,0,0,1,0,0|3,0,0]=4 2859 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,0,0,1,0,0|3,0,0]=4 2860 B11R1.290 O=C(CCO)CSCC1CC1 1458a_200011316215_100000211926 [0,0,0,1,0,0|3,0,0]=4 2861 B11R1.290 O=C(CCO)NCCC1CC1 240690a_100000764129_100011216618 [0,0,0,1,0,0|2,0,0]=3 2862 B11R1.290 O=C(CCO)NNCC1CC1 22a_100000736359_100011216618 [0,0,0,1,0,0|3,0,0]=4 2863 B11R1.342 CCCN1CCCC(C1)(C)C 2230a_100000716857_100000210303 [0,0,0,1,0,0|3,0,0]=4 2864 B11R1.342 CCCN1CCCC(C1)(C)C 269982a_100000716857_100000210303 [0,0,0,1,0,0|3,0,0]=4 2865 B11R1.342 CCCN1CCCC(C1)(C)C 34a_100000716857_100000210303 [0,0,0,1,0,0|3,0,0]=4 2866 B11R1.565 CC(C)N1CCNC(=O)CC1 2230a_100000698595_100000210206 [0,0,0,1,0,0|3,0,0]=4 2867 B11R1.565 CC(C)N1CCNC(=O)CC1 269982a_100000698595_100000210206 [0,0,0,1,0,0|3,0,0]=4 2868 B11R1.720 CC(=CCCC(=O)C1CC1)C 1458a_100000210395_100011217483 [0,0,0,1,0,0|1,0,2]=4 2869 B11R1.720 CC(=CCNC(=O)C1CC1)C 11a_100000718196_100000210395 [0,0,0,1,0,0|1,0,2]=4 2870 B11R1.720 CC(=CCNC(=O)C1CC1)C 1626a_100000718196_100000210395 [0,0,0,1,0,0|1,0,2]=4 2871 B11R1.720 CC(=CCNC(=O)C1CC1)C 527a_100000718196_100000210395 [0,0,0,1,0,0|1,0,2]=4 2872 B11R1.720 CC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215641 [0,0,0,1,0,0|2,0,1]=4 2873 B11R1.720 CC(Br)COCC(=O)C1CC1 34a_100012180447_100000746382 [0,0,0,1,0,0|3,0,0]=4 2874 B11R1.720 CC(C)C=NNC(=O)C1CC1 4a_100000183419_100000210432 [0,0,0,1,0,0|2,0,1]=4 2875 B11R1.720 CC(C)CCCC(=O)C1CC1 1458a_100000210395_100011214892 [0,0,0,1,0,0|1,0,0]=2 2876 B11R1.720 CC(C)CCCC(=O)C1CO1 1458a_100000701028_100011214892 [0,0,0,1,0,0|2,0,0]=3 2877 B11R1.720 CC(C)CCCN(C)C1CC1 2230a_100000226674_100011214892 [0,0,0,1,0,0|3,0,0]=4 2878 B11R1.720 CC(C)CCCN(C)C1CC1 269982a_100000226674_100011214892 [0,0,0,1,0,0|3,0,0]=4 2879 B11R1.720 CC(C)CCNC(=O)C1CC1 11a_100000210545_100000210395 [0,0,0,1,0,0|1,0,0]=2 2880 B11R1.720 CC(C)CCNC(=O)C1CC1 1626a_100000210545_100000210395 [0,0,0,1,0,0|1,0,0]=2 2881 B11R1.720 CC(C)CCNC(=O)C1CC1 240690a_100000210545_100000210395 [0,0,0,1,0,0|1,0,0]=2 2882 B11R1.720 CC(C)CCNC(=O)C1CC1 527a_100000210545_100000210395 [0,0,0,1,0,0|1,0,0]=2 2883 B11R1.720 CC(C)CCNC(=O)C1CO1 11a_100000210545_100000701028 [0,0,0,1,0,0|2,0,0]=3 2884 B11R1.720 CC(C)CCNC(=O)C1CO1 1626a_100000210545_100000701028 [0,0,0,1,0,0|2,0,0]=3 2885 B11R1.720 CC(C)CCNC(=O)C1CO1 240690a_100000210545_100000701028 [0,0,0,1,0,0|2,0,0]=3 2886 B11R1.720 CC(C)CCNC(=O)C1CO1 527a_100000210545_100000701028 [0,0,0,1,0,0|2,0,0]=3 2887 B11R1.720 CC(C)CCNC(C)C1CC1 2230a_100000700016_100000210312 [0,0,0,1,0,0|2,0,1]=4 2888 B11R1.720 CC(C)CCNC(C)C1CC1 269862a_100000210545_100000210639 [0,0,0,1,0,0|2,0,1]=4 2889 B11R1.720 CC(C)CCNC(C)C1CC1 269862a_100000700016_100000185833 [0,0,0,1,0,0|2,0,1]=4 2890 B11R1.720 CC(C)CCNC(C)C1CC1 34a_100000700016_100000210312 [0,0,0,1,0,0|2,0,1]=4 2891 B11R1.720 CC(C)CCOC(C)C1CC1 34a_100000744524_100000210312 [0,0,0,1,0,0|1,0,1]=3 2892 B11R1.720 CC(C)CCOC(C)C1CC1 7a_100000744524_100000210626 [0,0,0,1,0,0|1,0,1]=3 2893 B11R1.720 CC(C)CNCC(=O)C1CC1 2230a_100000210953_100000746382 [0,0,0,1,0,0|2,0,0]=3 2894 B11R1.720 CC(C)CNCC(=O)C1CC1 34a_100000210953_100000746382 [0,0,0,1,0,0|2,0,0]=3 2895 B11R1.720 CC(C)CNNC(=O)C1CC1 22a_100000696102_100000210395 [0,0,0,1,0,0|2,0,0]=3 2896 B11R1.720 CC(C)CNNC(=O)C1CO1 22a_100000696102_100000701028 [0,0,0,1,0,0|3,0,0]=4 2897 B11R1.720 CC(C)COCC(=O)C1CC1 34a_100000210257_100000746382 [0,0,0,1,0,0|2,0,0]=3 2898 B11R1.720 CC(C)COCC(=O)C1CC1 34a_100000686663_100000210624 [0,0,0,1,0,0|2,0,0]=3 2899 B11R1.720 CC(C)CSCC(=O)C1CC1 62a_100000210624_100000746382 [0,0,0,1,0,0|2,0,0]=3 2900 B11R1.720 CC(C)CSCC(=O)C1CC1 62a_100000746382_100000210760 [0,0,0,1,0,0|2,0,0]=3 2901 B11R1.720 CC(C)NCOC(=O)C1CC1 2230a_100138425928_100000140896 [0,0,0,1,0,0|1,0,0]=2 2902 B11R1.720 CC(C)NCOC(=O)C1CC1 34a_100138425928_100000140896 [0,0,0,1,0,0|1,0,0]=2 2903 B11R1.720 CC(C)OCCC(=O)C1CC1 1458a_100000210395_100000211751 [0,0,0,1,0,0|2,0,0]=3 2904 B11R1.720 CC(C)OCCC(=O)C1CO1 1458a_100000701028_100000211751 [0,0,0,1,0,0|3,0,0]=4 2905 B11R1.720 CC(C)OCOC(=O)C1CC1 34a_100000212225_100000140896 [0,0,0,1,0,0|1,0,0]=2 2906 B11R1.720 CC(C)OCOC(C)C1CC1 34a_100000744524_100000709892 [0,0,0,1,0,0|2,0,1]=4 2907 B11R1.720 CC(C)SCCC(=O)C1CC1 1458a_100000210395_100000730970 [0,0,0,1,0,0|2,0,0]=3 2908 B11R1.720 CC(C)SCCC(=O)C1CO1 1458a_100000701028_100000730970 [0,0,0,1,0,0|3,0,0]=4 2909 B11R1.720 CC(C)SCOC(=O)C1CC1 62a_100000140896_100000210206 [0,0,0,1,0,0|1,0,0]=2 2910 B11R1.720 CC(C)SCOC(=O)C1CC1 62a_100000210206_100000140896 [0,0,0,1,0,0|1,0,0]=2 2911 B11R1.720 CC(F)COCC(=O)C1CC1 34a_100015925927_100000746382 [0,0,0,1,0,0|3,0,0]=4 2912 B11R1.720 CC(O)CCCC(=O)C1CC1 1458a_100000210395_200000718107 [0,0,0,1,0,0|2,0,0]=3 2913 B11R1.720 CC(O)CCCC(=O)C1CO1 1458a_100000701028_200000718107 [0,0,0,1,0,0|3,0,0]=4 2914 B11R1.720 CC(O)CCNC(=O)C1CC1 240690a_200000755665_100000210395 [0,0,0,1,0,0|2,0,0]=3 2915 B11R1.720 CC(O)CCNC(=O)C1CC1 527a_200000755665_100000210395 [0,0,0,1,0,0|2,0,0]=3 2916 B11R1.720 CC(O)CCNC(=O)C1CO1 240690a_200000755665_100000701028 [0,0,0,1,0,0|3,0,0]=4 2917 B11R1.720 CC(O)CCNC(=O)C1CO1 527a_200000755665_100000701028 [0,0,0,1,0,0|3,0,0]=4 2918 B11R1.720 CC(O)CCOC(C)C1CC1 34a_100000744524_100012276601 [0,0,0,1,0,0|2,0,1]=4 2919 B11R1.720 CC(O)CCOC(C)C1CC1 7a_100000744524_100012276601 [0,0,0,1,0,0|2,0,1]=4 2920 B11R1.720 CC(O)CNCC(=O)C1CC1 2230a_100000210904_100000746382 [0,0,0,1,0,0|3,0,0]=4 2921 B11R1.720 CC(O)CNCC(=O)C1CC1 34a_100000210904_100000746382 [0,0,0,1,0,0|3,0,0]=4 2922 B11R1.720 CC(O)CNNC(=O)C1CC1 22a_200000730056_100000210395 [0,0,0,1,0,0|3,0,0]=4 2923 B11R1.720 CC(O)COCC(=O)C1CC1 34a_100000686663_100011218427 [0,0,0,1,0,0|3,0,0]=4 2924 B11R1.720 CC(O)CSCC(=O)C1CC1 62a_100000746382_100011218427 [0,0,0,1,0,0|3,0,0]=4 2925 B11R1.720 CC(O)CSCC(=O)C1CC1 62a_100011218427_100000746382 [0,0,0,1,0,0|3,0,0]=4 2926 B11R1.720 CC(OCCN(C)C)C1CC1 7a_100000744524_100000755713 [0,0,0,1,0,0|2,0,1]=4 2927 B11R1.720 CN(C)CCCC(=O)C1CC1 1458a_100000210395_100000695564 [0,0,0,1,0,0|2,0,0]=3 2928 B11R1.720 CN(C)CCCC(=O)C1CO1 1458a_100000701028_100000695564 [0,0,0,1,0,0|3,0,0]=4 2929 B11R1.720 CN(C)CCNC(=O)C1CC1 240690a_100000210585_100000210395 [0,0,0,1,0,0|2,0,0]=3 2930 B11R1.720 CN(C)CCNC(=O)C1CC1 527a_100000210585_100000210395 [0,0,0,1,0,0|2,0,0]=3 2931 B11R1.720 CN(C)CCNC(=O)C1CO1 240690a_100000210585_100000701028 [0,0,0,1,0,0|3,0,0]=4 2932 B11R1.720 CN(C)CCNC(=O)C1CO1 527a_100000210585_100000701028 [0,0,0,1,0,0|3,0,0]=4 2933 B11R1.720 C[C@@H](Cl)COCC(=O)C1CC1 34a_100016084084_100000746382 [0,0,0,1,0,0|3,0,0]=4 2934 B11R1.720 C[C@@H](N)COCC(=O)C1CC1 34a_100000737577_100000746382 [0,0,0,1,0,0|3,0,0]=4 2935 B11R1.720 C[C@@H](O)COCC(=O)C1CC1 34a_100000686663_100009817552 [0,0,0,1,0,0|3,0,0]=4 2936 B11R1.720 C[C@@H](O)CSCC(=O)C1CC1 62a_100000746382_100009817552 [0,0,0,1,0,0|3,0,0]=4 2937 B11R1.720 C[C@@H](O)CSCC(=O)C1CC1 62a_100009817552_100000746382 [0,0,0,1,0,0|3,0,0]=4 2938 B11R1.839 CCCC(=O)CC1CC1(F)F 1458a_100000138109_100000210303 [0,0,0,1,0,0|3,0,0]=4 2939 B11R1.839 CCCC(=O)CC1CC1(F)F 1458a_100000211992_100009817841 [0,0,0,1,0,0|3,0,0]=4 2940 B11R1.839 CCCC(=O)NC1CC1(F)F 1626a_100020610826_100000211992 [0,0,0,1,0,0|3,0,0]=4 2941 B11R1.839 CCCC(=O)NC1CC1(F)F 240690a_100020610826_100000211992 [0,0,0,1,0,0|3,0,0]=4 2942 B11R1.839 CCCC(=O)NC1CC1(F)F 527a_100020610826_100000211992 [0,0,0,1,0,0|3,0,0]=4 2943 B11R1.924 CC(C)CCNC1(CCC1)C 2230a_100000692455_100000210312 [0,0,0,1,0,0|2,0,1]=4 2944 B11R1.924 CC(C)CCNC1(CCC1)C 34a_100000692455_100000210312 [0,0,0,1,0,0|2,0,1]=4 2945 B11R1.924 CC(C)CCOC1(CCC1)C 34a_100000759064_100000210312 [0,0,0,1,0,0|1,0,1]=3 2946 B11R1.924 CC(C)CCOC1(CCC1)C 7a_100000759064_100000210626 [0,0,0,1,0,0|1,0,1]=3 2947 B11R1.924 CC(C)CCOC1(CSC1)C 7a_100016018533_100000210626 [0,0,0,1,0,0|2,0,1]=4 2948 B11R1.924 CC(C)OCOC1(CCC1)C 34a_100000759064_100000709892 [0,0,0,1,0,0|2,0,1]=4 2949 B11R1.924 CC(O)CCOC1(CCC1)C 34a_100000759064_100012276601 [0,0,0,1,0,0|2,0,1]=4 2950 B11R1.924 CC(O)CCOC1(CCC1)C 7a_100000759064_100012276601 [0,0,0,1,0,0|2,0,1]=4 2951 B11R1.924 CN(C)CCOC1(CCC1)C 7a_100000759064_100000755713 [0,0,0,1,0,0|2,0,1]=4 2952 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [0,0,0,0,1,0|0,0,2]=3 2953 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [0,0,0,0,1,0|0,0,2]=3 2954 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,0,0,0,1,0|1,0,2]=4 2955 B9R0.48 C#CCC(=O)CC[S+](C)C 1458a_100009452791_100000184674 [0,0,0,0,1,0|1,0,2]=4 2956 B9R0.48 C#CCC(=O)COC(C)C 1458a_100000745533_100000184674 [0,0,0,0,1,0|1,0,2]=4 2957 B9R0.48 C#CCC(=O)CSC(C)C 1458a_100000241585_100000184674 [0,0,0,0,1,0|1,0,2]=4 2958 B9R0.48 C#CCC(=O)NCC(C)C 1626a_100000210953_100011220946 [0,0,0,0,1,0|1,0,2]=4 2959 B9R0.48 C#CCC(=O)NCC(C)C 527a_100000210953_100011220946 [0,0,0,0,1,0|1,0,2]=4 2960 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,0,0,0,1,0|0,0,2]=3 2961 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,0,0,0,1,0|0,0,2]=3 2962 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,0,0,0,1,0|1,0,2]=4 2963 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,0,0,0,1,0|1,0,2]=4 2964 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,0,0,0,1,0|1,0,2]=4 2965 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,0,0,0,1,0|1,0,2]=4 2966 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,0,0,0,1,0|1,0,2]=4 2967 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,0,0,0,1,0|1,0,2]=4 2968 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,0,0,0,1,0|1,0,2]=4 2969 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,0,0,0,1,0|1,0,2]=4 2970 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,0,0,0,1,0|1,0,2]=4 2971 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,0,0,0,1,0|1,0,2]=4 2972 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,0,0,0,1,0|1,0,2]=4 2973 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,0,0,0,1,0|1,0,2]=4 2974 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,0,0,0,1,0|0,0,2]=3 2975 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,0,0,0,1,0|0,0,2]=3 2976 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,0,0,0,1,0|1,0,2]=4 2977 B9R0.48 C=CCC(=O)CC[S+](C)C 1458a_100009452791_100000210623 [0,0,0,0,1,0|1,0,2]=4 2978 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,0,0,0,1,0|1,0,2]=4 2979 B9R0.48 C=CCC(=O)CSC(C)C 1458a_100000241585_100000210623 [0,0,0,0,1,0|1,0,2]=4 2980 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [0,0,0,0,1,0|1,0,2]=4 2981 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [0,0,0,0,1,0|1,0,2]=4 2982 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [0,0,0,0,1,0|1,0,2]=4 2983 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [0,0,0,0,1,0|1,0,2]=4 2984 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [0,0,0,0,1,0|0,0,2]=3 2985 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,0,0,0,1,0|1,0,2]=4 2986 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,0,0,0,1,0|1,0,2]=4 2987 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,0,0,0,1,0|1,0,2]=4 2988 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,0,0,0,1,0|1,0,2]=4 2989 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,0,0,0,1,0|1,0,2]=4 2990 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,0,0,0,1,0|1,0,2]=4 2991 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,0,0,0,1,0|1,0,2]=4 2992 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,0,0,0,1,0|1,0,2]=4 2993 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,0,0,0,1,0|1,0,2]=4 2994 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [0,0,0,0,1,0|1,0,1]=3 2995 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [0,0,0,0,1,0|1,0,1]=3 2996 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [0,0,0,0,1,0|1,0,0]=2 2997 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,0,0,0,1,0|1,0,0]=2 2998 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,0,0,0,1,0|1,0,0]=2 2999 B9R0.48 CC(C)CCN(C)CCF 2230a_100000742789_100011217306 [0,0,0,0,1,0|3,0,0]=4 3000 B9R0.48 CC(C)CCN(C)CCF 269982a_100000742789_100011217306 [0,0,0,0,1,0|3,0,0]=4 3001 B9R0.48 CC(C)CCN(C)CCO 2230a_100000210263_100000210312 [0,0,0,0,1,0|3,0,0]=4 3002 B9R0.48 CC(C)CCN(C)CCO 2230a_100000742789_100000211926 [0,0,0,0,1,0|3,0,0]=4 3003 B9R0.48 CC(C)CCN(C)CCO 269982a_100000210263_100000210312 [0,0,0,0,1,0|3,0,0]=4 3004 B9R0.48 CC(C)CCN(C)CCO 269982a_100000742789_100000211926 [0,0,0,0,1,0|3,0,0]=4 3005 B9R0.48 CC(C)CNC(=O)CC#N 1626a_100000210953_100051588842 [0,0,0,0,1,0|2,0,1]=4 3006 B9R0.48 CC(C)CNC(=O)CC#N 240690a_100000210953_100051588842 [0,0,0,0,1,0|2,0,1]=4 3007 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,0,0,0,1,0|2,0,0]=3 3008 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [0,0,0,0,1,0|2,0,0]=3 3009 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [0,0,0,0,1,0|2,0,0]=3 3010 B9R0.48 CC(C)COC(C)CCBr 34a_100012276601_100000210624 [0,0,0,0,1,0|2,0,1]=4 3011 B9R0.48 CC(C)COC(C)CCO 34a_100000210257_100009893172 [0,0,0,0,1,0|2,0,1]=4 3012 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [0,0,0,0,1,0|3,0,0]=4 3013 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [0,0,0,0,1,0|3,0,0]=4 3014 B9R0.48 CC(C)NNC(=O)CCO 22a_100000741168_100011216618 [0,0,0,0,1,0|3,0,0]=4 3015 B9R0.48 CC(C)OCC(=O)CC#N 1458a_100000745533_100011214920 [0,0,0,0,1,0|2,0,1]=4 3016 B9R0.48 CC(C)OCC(=O)CCF 1458a_100000745533_100011217306 [0,0,0,0,1,0|2,0,0]=3 3017 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,0,0,0,1,0|2,0,0]=3 3018 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,0,0,0,1,0|3,0,0]=4 3019 B9R0.48 CC(C)SCC(=O)CC#N 1458a_100000241585_100011214920 [0,0,0,0,1,0|2,0,1]=4 3020 B9R0.48 CC(C)SCC(=O)CCF 1458a_100000241585_100011217306 [0,0,0,0,1,0|2,0,0]=3 3021 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,0,0,0,1,0|2,0,0]=3 3022 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,0,0,0,1,0|3,0,0]=4 3023 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,0,0,0,1,0|3,0,0]=4 3024 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,0,0,0,1,0|2,0,1]=4 3025 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,0,0,0,1,0|2,0,0]=3 3026 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [0,0,0,0,1,0|3,0,0]=4 3027 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,0,0,0,1,0|0,0,2]=3 3028 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,0,0,0,1,0|1,0,2]=4 3029 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [0,0,0,0,1,0|1,0,2]=4 3030 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [0,0,0,0,1,0|1,0,2]=4 3031 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [0,0,0,0,1,0|1,0,2]=4 3032 B9R0.48 CCCC(=NNC(C)C)C 4a_100000741168_100000211909 [0,0,0,0,1,0|3,0,0]=4 3033 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,0,0,0,1,0|0,0,2]=3 3034 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,1,0|0,0,2]=3 3035 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,1,0|0,0,2]=3 3036 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,0,0,0,1,0|2,0,1]=4 3037 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,0,0,0,1,0|0,0,0]=1 3038 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,0,0,0,1,0|0,0,0]=1 3039 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,0,0,0,1,0|1,0,0]=2 3040 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,0,0,0,1,0|3,0,0]=4 3041 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,0,0,0,1,0|1,0,0]=2 3042 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,0,0,1,0|2,0,1]=4 3043 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,0,0,0,1,0|1,0,0]=2 3044 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,0,0,1,0|2,0,1]=4 3045 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,0,0,0,1,0|1,0,0]=2 3046 B9R0.48 CCCC(=O)COC(F)F 1458a_200000719455_100000210303 [0,0,0,0,1,0|3,0,0]=4 3047 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,0,0,1,0|2,0,1]=4 3048 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,0,0,0,1,0|1,0,0]=2 3049 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,0,0,0,1,0|1,0,0]=2 3050 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,0,0,0,1,0|1,0,0]=2 3051 B9R0.48 CCCC(=O)CSC(F)F 1458a_114828291038_100000210303 [0,0,0,0,1,0|3,0,0]=4 3052 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,0,0,0,1,0|1,0,0]=2 3053 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,0,0,0,1,0|1,0,0]=2 3054 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,0,0,0,1,0|1,0,0]=2 3055 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,0,0,0,1,0|1,0,0]=2 3056 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,0,0,0,1,0|2,0,0]=3 3057 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,0,0,0,1,0|2,0,0]=3 3058 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,0,0,0,1,0|2,0,0]=3 3059 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [0,0,0,0,1,0|3,0,0]=4 3060 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [0,0,0,0,1,0|3,0,0]=4 3061 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [0,0,0,0,1,0|3,0,0]=4 3062 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [0,0,0,0,1,0|3,0,0]=4 3063 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,0,0,0,1,0|2,0,0]=3 3064 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,0,0,1,0|1,0,1]=3 3065 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,0,0,0,1,0|1,0,0]=2 3066 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,0,0,0,1,0|1,0,0]=2 3067 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [0,0,0,0,1,0|2,0,1]=4 3068 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [0,0,0,0,1,0|2,0,1]=4 3069 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,0,0,0,1,0|2,0,1]=4 3070 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,0,0,0,1,0|2,0,1]=4 3071 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,0,0,0,1,0|2,0,1]=4 3072 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [0,0,0,0,1,0|2,0,1]=4 3073 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [0,0,0,0,1,0|2,0,1]=4 3074 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,0,0,0,1,0|2,0,1]=4 3075 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,0,0,0,1,0|2,0,1]=4 3076 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,0,0,0,1,0|2,0,1]=4 3077 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,0,0,0,1,0|2,0,1]=4 3078 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,0,0,0,1,0|2,0,1]=4 3079 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [0,0,0,0,1,0|2,0,1]=4 3080 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,0,0,0,1,0|1,0,1]=3 3081 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,0,0,0,1,0|1,0,1]=3 3082 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,0,0,0,1,0|1,0,1]=3 3083 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [0,0,0,0,1,0|2,0,1]=4 3084 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,0,0,0,1,0|2,0,1]=4 3085 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,0,0,0,1,0|2,0,1]=4 3086 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [0,0,0,0,1,0|2,0,1]=4 3087 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [0,0,0,0,1,0|2,0,1]=4 3088 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,0,0,0,1,0|2,0,1]=4 3089 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,0,0,0,1,0|2,0,1]=4 3090 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,0,0,0,1,0|1,1,1]=4 3091 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,0,0,0,1,0|1,1,1]=4 3092 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,0,0,0,1,0|2,0,0]=3 3093 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,0,0,0,1,0|2,0,0]=3 3094 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,0,0,0,1,0|2,0,0]=3 3095 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,0,0,0,1,0|2,0,0]=3 3096 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,0,0,0,1,0|3,0,0]=4 3097 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,0,0,0,1,0|3,0,0]=4 3098 B9R0.48 CCCN(C)CCN(C)C 2230a_100000226821_200000210301 [0,0,0,0,1,0|3,0,0]=4 3099 B9R0.48 CCCN(C)CCN(C)C 269982a_100000225618_100000210303 [0,0,0,0,1,0|3,0,0]=4 3100 B9R0.48 CCCN(C)CCN(C)C 269982a_100000226821_200000210301 [0,0,0,0,1,0|3,0,0]=4 3101 B9R0.48 CCCN(C)CCN(C)C 269982a_100000747261_100000755713 [0,0,0,0,1,0|3,0,0]=4 3102 B9R0.48 CCCN(C)COC(C)C 2230a_100000747261_100000709892 [0,0,0,0,1,0|3,0,0]=4 3103 B9R0.48 CCCN(C)COC(C)C 269982a_100000747261_100000709892 [0,0,0,0,1,0|3,0,0]=4 3104 B9R0.48 CCCN([13CH3])CCN(C)C 2230a_100000226821_200025704644 [0,0,0,0,1,0|3,0,0]=4 3105 B9R0.48 CCCN([13CH3])CCN(C)C 269982a_100000226821_200025704644 [0,0,0,0,1,0|3,0,0]=4 3106 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,0,0,0,1,0|2,0,1]=4 3107 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,0,0,0,1,0|1,0,2]=4 3108 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,0,0,0,1,0|1,0,2]=4 3109 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,0,0,0,1,0|1,0,2]=4 3110 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,0,0,0,1,0|1,0,2]=4 3111 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,0,0,0,1,0|1,0,2]=4 3112 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,0,0,1,0|2,0,1]=4 3113 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,0,0,1,0|2,0,1]=4 3114 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [0,0,0,0,1,0|1,0,0]=2 3115 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [0,0,0,0,1,0|1,0,0]=2 3116 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [0,0,0,0,1,0|1,0,0]=2 3117 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [0,0,0,0,1,0|2,0,0]=3 3118 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [0,0,0,0,1,0|2,0,0]=3 3119 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [0,0,0,0,1,0|2,0,0]=3 3120 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [0,0,0,0,1,0|2,0,0]=3 3121 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [0,0,0,0,1,0|2,0,0]=3 3122 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [0,0,0,0,1,0|2,0,0]=3 3123 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [0,0,0,0,1,0|2,0,0]=3 3124 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [0,0,0,0,1,0|2,0,0]=3 3125 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [0,0,0,0,1,0|2,0,0]=3 3126 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [0,0,0,0,1,0|2,0,0]=3 3127 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [0,0,0,0,1,0|2,0,0]=3 3128 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [0,0,0,0,1,0|2,0,0]=3 3129 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [0,0,0,0,1,0|2,0,0]=3 3130 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [0,0,0,0,1,0|2,0,0]=3 3131 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [0,0,0,0,1,0|2,0,0]=3 3132 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [0,0,0,0,1,0|2,0,0]=3 3133 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [0,0,0,0,1,0|2,0,0]=3 3134 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [0,0,0,0,1,0|2,0,0]=3 3135 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [0,0,0,0,1,0|2,0,0]=3 3136 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [0,0,0,0,1,0|2,0,0]=3 3137 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [0,0,0,0,1,0|2,0,0]=3 3138 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [0,0,0,0,1,0|2,0,0]=3 3139 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [0,0,0,0,1,0|2,0,0]=3 3140 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [0,0,0,0,1,0|2,0,0]=3 3141 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [0,0,0,0,1,0|2,0,0]=3 3142 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [0,0,0,0,1,0|3,0,0]=4 3143 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [0,0,0,0,1,0|3,0,0]=4 3144 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [0,0,0,0,1,0|3,0,0]=4 3145 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [0,0,0,0,1,0|3,0,0]=4 3146 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [0,0,0,0,1,0|3,0,0]=4 3147 B9R0.48 CCNC(=O)NNC(C)C 273464a_100015525214_100000741168 [0,0,0,0,1,0|3,0,0]=4 3148 B9R0.48 CCNC(=O)NNC(C)C 512a_100000741168_100015525214 [0,0,0,0,1,0|3,0,0]=4 3149 B9R0.48 CCNC(=O)NNC(C)C 512a_100015525214_100000741168 [0,0,0,0,1,0|3,0,0]=4 3150 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,0,0,0,1,0|2,0,1]=4 3151 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,0,0,0,1,0|2,0,1]=4 3152 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,0,0,0,1,0|2,0,1]=4 3153 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,1,0|2,0,1]=4 3154 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,1,0|2,0,1]=4 3155 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,0,0,0,1,0|2,0,0]=3 3156 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,0,0,0,1,0|2,0,0]=3 3157 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,0,0,0,1,0|2,0,0]=3 3158 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,0,0,0,1,0|2,0,0]=3 3159 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,0,0,0,1,0|2,0,0]=3 3160 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,0,0,0,1,0|2,0,0]=3 3161 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,0,0,0,1,0|2,0,0]=3 3162 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,0,0,0,1,0|2,0,0]=3 3163 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,0,0,0,1,0|2,0,0]=3 3164 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,0,0,0,1,0|2,0,0]=3 3165 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,0,0,0,1,0|2,0,0]=3 3166 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,0,0,0,1,0|2,0,1]=4 3167 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,0,0,0,1,0|2,0,1]=4 3168 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,0,0,0,1,0|2,0,1]=4 3169 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,0,0,0,1,0|2,0,1]=4 3170 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,0,0,0,1,0|2,0,1]=4 3171 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [0,0,0,0,1,0|2,0,0]=3 3172 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [0,0,0,0,1,0|2,0,0]=3 3173 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [0,0,0,0,1,0|2,0,0]=3 3174 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [0,0,0,0,1,0|2,0,0]=3 3175 B9R0.48 CNNC(=O)CCN(C)C 22a_100016993582_100000689311 [0,0,0,0,1,0|3,0,0]=4 3176 B9R0.48 CNNC(=O)CC[S+](C)C 22a_100016993582_100009452791 [0,0,0,0,1,0|3,0,0]=4 3177 B9R0.48 CNNC(=O)COC(C)C 22a_100016993582_100000745533 [0,0,0,0,1,0|3,0,0]=4 3178 B9R0.48 CNNC(=O)CSC(C)C 22a_100016993582_100000241585 [0,0,0,0,1,0|3,0,0]=4 3179 B9R0.48 CNNC(=O)NCC(C)C 273464a_100000210953_100016993582 [0,0,0,0,1,0|3,0,0]=4 3180 B9R0.48 CNNC(=O)NCC(C)C 512a_100000210953_100016993582 [0,0,0,0,1,0|3,0,0]=4 3181 B9R0.48 CNNC(=O)NCC(C)C 512a_100016993582_100000210953 [0,0,0,0,1,0|3,0,0]=4 3182 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,0,0,0,1,0|1,0,2]=4 3183 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,0,0,0,1,0|1,0,0]=2 3184 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,0,0,0,1,0|2,0,0]=3 3185 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,0,0,0,1,0|2,0,0]=3 3186 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,0,0,0,1,0|2,0,0]=3 3187 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,0,0,0,1,0|2,0,0]=3 3188 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,0,0,0,1,0|2,0,0]=3 3189 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,0,0,0,1,0|2,0,0]=3 3190 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [0,0,0,0,1,0|3,0,0]=4 3191 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [0,0,0,0,1,0|3,0,0]=4 3192 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [0,0,0,0,1,0|3,0,0]=4 3193 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [0,0,0,0,1,0|3,0,0]=4 3194 B9R0.48 COCC(C)OCC(C)C 34a_100000210257_100000765312 [0,0,0,0,1,0|2,0,1]=4 3195 B9R0.48 COCN(C)CCC(C)C 2230a_100000742789_100000766300 [0,0,0,0,1,0|3,0,0]=4 3196 B9R0.48 COCN(C)CCC(C)C 269982a_100000742789_100000766300 [0,0,0,0,1,0|3,0,0]=4 3197 B9R0.48 COC[C@@H](C)OCC(C)C 34a_100011934205_100000210624 [0,0,0,0,1,0|2,0,1]=4 3198 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,0,0,0,1,0|1,0,2]=4 3199 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [0,0,0,0,1,0|1,0,0]=2 3200 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,0,0,0,1,0|2,0,0]=3 3201 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [0,0,0,0,1,0|2,0,0]=3 3202 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [0,0,0,0,1,0|2,0,0]=3 3203 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [0,0,0,0,1,0|2,0,0]=3 3204 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [0,0,0,0,1,0|2,0,0]=3 3205 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [0,0,0,0,1,0|2,0,0]=3 3206 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [0,0,0,0,1,0|2,0,0]=3 3207 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [0,0,0,0,1,0|3,0,0]=4 3208 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [0,0,0,0,1,0|3,0,0]=4 3209 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [0,0,0,0,1,0|3,0,0]=4 3210 B9R0.48 CSCC(=O)NNC(C)C 22a_100000741168_100000184570 [0,0,0,0,1,0|3,0,0]=4 3211 B9R0.48 CSCN(C)CCC(C)C 2230a_100000742789_100011218213 [0,0,0,0,1,0|3,0,0]=4 3212 B9R0.48 CSCN(C)CCC(C)C 269982a_100000742789_100011218213 [0,0,0,0,1,0|3,0,0]=4 3213 B9R0.48 C[S+](C)CCC(=O)CC#N 1458a_100009452791_100011214920 [0,0,0,0,1,0|2,0,1]=4 3214 B9R0.48 C[S+](C)CCC(=O)CCF 1458a_100009452791_100011217306 [0,0,0,0,1,0|2,0,0]=3 3215 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,0,0,0,1,0|2,0,0]=3 3216 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011220946_100011216152 [0,0,0,0,0,1|1,0,2]=4 3217 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011933920_100000184674 [0,0,0,0,0,1|1,0,2]=4 3218 B11R0.176 C#CCC(=O)NCCCC(C)C 1626a_200000737386_100011220946 [0,0,0,0,0,1|1,0,2]=4 3219 B11R0.176 C#CCC(=O)NCCCC(C)C 527a_200000737386_100011220946 [0,0,0,0,0,1|1,0,2]=4 3220 B11R0.176 C#CCC(=O)NCCOC(C)C 1626a_100000701111_100011220946 [0,0,0,0,0,1|1,0,2]=4 3221 B11R0.176 C#CCC(=O)NCCOC(C)C 527a_100000701111_100011220946 [0,0,0,0,0,1|1,0,2]=4 3222 B11R0.176 C#CCC(=O)NCCSC(C)C 1626a_100000731138_100011220946 [0,0,0,0,0,1|1,0,2]=4 3223 B11R0.176 C#CCC(=O)NCCSC(C)C 527a_100000731138_100011220946 [0,0,0,0,0,1|1,0,2]=4 3224 B11R0.176 C=C(C)CCOCC(=O)NCC 34a_100000764851_100000183381 [0,0,0,0,0,1|1,0,2]=4 3225 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [0,0,0,0,0,1|1,0,2]=4 3226 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000730704_100000747444 [0,0,0,0,0,1|0,1,2]=4 3227 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000747444_100000730704 [0,0,0,0,0,1|0,1,2]=4 3228 B11R0.176 C=C(C)COCOC(=O)CCC 34a_100000210245_100000034017 [0,0,0,0,0,1|0,0,2]=3 3229 B11R0.176 C=C(C)CSCOC(=O)CCC 62a_100000748629_100000034017 [0,0,0,0,0,1|0,0,2]=3 3230 B11R0.176 C=C(C)CSCOC(=O)OCC 62a_100000748629_100000075025 [0,0,0,0,0,1|1,0,2]=4 3231 B11R0.176 C=C(F)COCOC(=O)CCC 34a_200010262243_100000034017 [0,0,0,0,0,1|1,0,2]=4 3232 B11R0.176 C=C(F)CSCOC(=O)CCC 62a_100000042424_100000034017 [0,0,0,0,0,1|1,0,2]=4 3233 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100000210193_100011216152 [0,0,0,0,0,1|1,0,2]=4 3234 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100011933920_100000210623 [0,0,0,0,0,1|1,0,2]=4 3235 B11R0.176 C=CCC(=O)NCCCC(C)C 11a_200000737386_100000210193 [0,0,0,0,0,1|1,0,2]=4 3236 B11R0.176 C=CCC(=O)NCCCC(C)C 1626a_200000737386_100000210193 [0,0,0,0,0,1|1,0,2]=4 3237 B11R0.176 C=CCC(=O)NCCCC(C)C 240690a_200000737386_100000210193 [0,0,0,0,0,1|1,0,2]=4 3238 B11R0.176 C=CCC(=O)NCCCC(C)C 527a_200000737386_100000210193 [0,0,0,0,0,1|1,0,2]=4 3239 B11R0.176 C=CCC(=O)NCCOC(C)C 11a_100000701111_100000210193 [0,0,0,0,0,1|1,0,2]=4 3240 B11R0.176 C=CCC(=O)NCCOC(C)C 1626a_100000701111_100000210193 [0,0,0,0,0,1|1,0,2]=4 3241 B11R0.176 C=CCC(=O)NCCOC(C)C 240690a_100000701111_100000210193 [0,0,0,0,0,1|1,0,2]=4 3242 B11R0.176 C=CCC(=O)NCCOC(C)C 527a_100000701111_100000210193 [0,0,0,0,0,1|1,0,2]=4 3243 B11R0.176 C=CCC(=O)NCCSC(C)C 11a_100000731138_100000210193 [0,0,0,0,0,1|1,0,2]=4 3244 B11R0.176 C=CCC(=O)NCCSC(C)C 1626a_100000731138_100000210193 [0,0,0,0,0,1|1,0,2]=4 3245 B11R0.176 C=CCC(=O)NCCSC(C)C 240690a_100000731138_100000210193 [0,0,0,0,0,1|1,0,2]=4 3246 B11R0.176 C=CCC(=O)NCCSC(C)C 527a_100000731138_100000210193 [0,0,0,0,0,1|1,0,2]=4 3247 B11R0.176 C=COC(=O)COCCC(C)C 34a_100000210254_100000036128 [0,0,0,0,0,1|1,0,2]=4 3248 B11R0.176 CC#CC(=O)CCCCC(C)C 1458a_100000763181_100011216152 [0,0,0,0,0,1|1,0,2]=4 3249 B11R0.176 CC(Br)CCOCC(=O)NCO 34a_100009893172_100000185155 [0,0,0,0,0,1|3,0,0]=4 3250 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100011933920_100011214920 [0,0,0,0,0,1|2,0,1]=4 3251 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100051588842_100011216152 [0,0,0,0,0,1|2,0,1]=4 3252 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,0,0,0,0,1|2,0,0]=3 3253 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,0,0,0,0,1|2,0,0]=3 3254 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,0,0,0,0,1|2,0,0]=3 3255 B11R0.176 CC(C)CCCNC(=O)CC#N 1626a_200000737386_100051588842 [0,0,0,0,0,1|2,0,1]=4 3256 B11R0.176 CC(C)CCCNC(=O)CC#N 240690a_200000737386_100051588842 [0,0,0,0,0,1|2,0,1]=4 3257 B11R0.176 CC(C)CCCNC(=O)CCO 240690a_200000737386_100011216618 [0,0,0,0,0,1|2,0,0]=3 3258 B11R0.176 CC(C)CCCOC(C)CCBr 34a_100012276601_100011214892 [0,0,0,0,0,1|2,0,1]=4 3259 B11R0.176 CC(C)CCCOC(C)CCO 34a_100000210774_100009893172 [0,0,0,0,0,1|2,0,1]=4 3260 B11R0.176 CC(C)CCCOC(C)CCO 7a_100000210774_100009893172 [0,0,0,0,0,1|2,0,1]=4 3261 B11R0.176 CC(C)CCOCC(=O)NCO 34a_100000210254_100000185155 [0,0,0,0,0,1|2,0,0]=3 3262 B11R0.176 CC(C)CCOCC(=O)NCO 7a_100000210254_100000185155 [0,0,0,0,0,1|2,0,0]=3 3263 B11R0.176 CC(C)CCOCC(C)CCN 34a_106354213184_100000210312 [0,0,0,0,0,1|2,0,1]=4 3264 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000185155_100000210312 [0,0,0,0,0,1|2,1,0]=4 3265 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000210312_100000185155 [0,0,0,0,0,1|2,1,0]=4 3266 B11R0.176 CC(C)NCCOC(C)CCO 34a_100000224655_100009893172 [0,0,0,0,0,1|2,0,1]=4 3267 B11R0.176 CC(C)OCCNC(=O)CC#N 1626a_100000701111_100051588842 [0,0,0,0,0,1|2,0,1]=4 3268 B11R0.176 CC(C)OCCNC(=O)CC#N 240690a_100000701111_100051588842 [0,0,0,0,0,1|2,0,1]=4 3269 B11R0.176 CC(C)OCCNC(=O)CCO 240690a_100000701111_100011216618 [0,0,0,0,0,1|2,0,0]=3 3270 B11R0.176 CC(C)OCCOC(C)CCBr 34a_100012276601_100000211751 [0,0,0,0,0,1|2,0,1]=4 3271 B11R0.176 CC(C)OCCOC(C)CCO 34a_100000211219_100009893172 [0,0,0,0,0,1|2,0,1]=4 3272 B11R0.176 CC(C)OCCOC(C)CCO 7a_100000211219_100009893172 [0,0,0,0,0,1|2,0,1]=4 3273 B11R0.176 CC(C)SCCNC(=O)CC#N 1626a_100000731138_100051588842 [0,0,0,0,0,1|2,0,1]=4 3274 B11R0.176 CC(C)SCCNC(=O)CC#N 240690a_100000731138_100051588842 [0,0,0,0,0,1|2,0,1]=4 3275 B11R0.176 CC(C)SCCNC(=O)CCO 240690a_100000731138_100011216618 [0,0,0,0,0,1|2,0,0]=3 3276 B11R0.176 CC(CCBr)OCCSC(C)C 34a_100012276601_100000730970 [0,0,0,0,0,1|2,0,1]=4 3277 B11R0.176 CC(CCO)OCCSC(C)C 34a_200011212901_100009893172 [0,0,0,0,0,1|2,0,1]=4 3278 B11R0.176 CC(CCO)OCCSC(C)C 7a_200011212901_100009893172 [0,0,0,0,0,1|2,0,1]=4 3279 B11R0.176 CC=CC(=O)CCCCC(C)C 1458a_100000210699_100011216152 [0,0,0,0,0,1|1,0,2]=4 3280 B11R0.176 CC=CC(=O)NCCCC(C)C 11a_200000737386_100000210699 [0,0,0,0,0,1|1,0,2]=4 3281 B11R0.176 CC=CC(=O)NCCCC(C)C 1626a_200000737386_100000210699 [0,0,0,0,0,1|1,0,2]=4 3282 B11R0.176 CC=CC(=O)NCCCC(C)C 240690a_200000737386_100000210699 [0,0,0,0,0,1|1,0,2]=4 3283 B11R0.176 CC=CC(=O)NCCOC(C)C 11a_100000701111_100000210699 [0,0,0,0,0,1|1,0,2]=4 3284 B11R0.176 CC=CC(=O)NCCOC(C)C 1626a_100000701111_100000210699 [0,0,0,0,0,1|1,0,2]=4 3285 B11R0.176 CC=CC(=O)NCCOC(C)C 240690a_100000701111_100000210699 [0,0,0,0,0,1|1,0,2]=4 3286 B11R0.176 CC=CC(=O)NCCSC(C)C 11a_100000731138_100000210699 [0,0,0,0,0,1|1,0,2]=4 3287 B11R0.176 CC=CC(=O)NCCSC(C)C 1626a_100000731138_100000210699 [0,0,0,0,0,1|1,0,2]=4 3288 B11R0.176 CC=CC(=O)NCCSC(C)C 240690a_100000731138_100000210699 [0,0,0,0,0,1|1,0,2]=4 3289 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,0,0,0,0,1|2,0,1]=4 3290 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,0,0,0,0,1|1,0,0]=2 3291 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,0,0,0,0,1|1,0,0]=2 3292 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,0,0,0,0,1|2,0,1]=4 3293 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,0,0,0,0,1|2,0,1]=4 3294 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,0,0,0,0,1|2,0,1]=4 3295 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,0,0,0,0,1|2,0,1]=4 3296 B11R0.176 CCCC(=O)CCOCC(F)F 1458a_100000211992_200012177212 [0,0,0,0,0,1|3,0,0]=4 3297 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,0,0,0,0,1|2,0,0]=3 3298 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,0,0,0,0,1|1,0,1]=3 3299 B11R0.176 CCCC(=O)COCCC(=O)N 7a_100000757172_100000747444 [0,0,0,0,0,1|2,0,1]=4 3300 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,0,0,0,0,1|0,0,0]=1 3301 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000747444_100000761012 [0,0,0,0,0,1|0,1,2]=4 3302 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000761012_100000747444 [0,0,0,0,0,1|0,1,2]=4 3303 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,0,0,0,0,1|1,1,1]=4 3304 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,0,0,0,0,1|1,1,1]=4 3305 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,0,0,0,0,1|0,1,0]=2 3306 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,0,0,0,0,1|0,1,0]=2 3307 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,0,0,0,0,1|1,1,0]=3 3308 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,0,0,0,0,1|1,1,0]=3 3309 B11R0.176 CCCC(=O)CSCCN(C)C 62a_100000747444_100000755713 [0,0,0,0,0,1|1,1,0]=3 3310 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000709892_100000747444 [0,0,0,0,0,1|1,1,0]=3 3311 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000747444_100000709892 [0,0,0,0,0,1|1,1,0]=3 3312 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,0,0,0,0,1|1,0,0]=2 3313 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,0,0,0,0,1|1,0,0]=2 3314 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,0,0,0,0,1|1,0,0]=2 3315 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,0,0,0,0,1|1,0,0]=2 3316 B11R0.176 CCCC(=O)NCCCN(C)C 240690a_102531767803_100000211992 [0,0,0,0,0,1|2,0,0]=3 3317 B11R0.176 CCCC(=O)NCCCN(C)C 527a_102531767803_100000211992 [0,0,0,0,0,1|2,0,0]=3 3318 B11R0.176 CCCC(=O)NCCCS(=O)C 11a_200000753449_100000211992 [0,0,0,0,0,1|3,0,0]=4 3319 B11R0.176 CCCC(=O)NCCCS(=O)C 240690a_200000753449_100000211992 [0,0,0,0,0,1|3,0,0]=4 3320 B11R0.176 CCCC(=O)NCCCS(=O)C 527a_200000753449_100000211992 [0,0,0,0,0,1|3,0,0]=4 3321 B11R0.176 CCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211992 [0,0,0,0,0,1|2,0,1]=4 3322 B11R0.176 CCCC(=O)NCCNC(=O)C 527a_100000209853_100000211992 [0,0,0,0,0,1|2,0,1]=4 3323 B11R0.176 CCCC(=O)NCCOC(=O)C 11a_100000724843_100000211992 [0,0,0,0,0,1|2,0,1]=4 3324 B11R0.176 CCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211992 [0,0,0,0,0,1|2,0,1]=4 3325 B11R0.176 CCCC(=O)NCCOC(=O)C 527a_100000724843_100000211992 [0,0,0,0,0,1|2,0,1]=4 3326 B11R0.176 CCCC(=O)NCCOC(C)C 11a_100000701111_100000211992 [0,0,0,0,0,1|1,0,0]=2 3327 B11R0.176 CCCC(=O)NCCOC(C)C 1626a_100000701111_100000211992 [0,0,0,0,0,1|1,0,0]=2 3328 B11R0.176 CCCC(=O)NCCOC(C)C 240690a_100000701111_100000211992 [0,0,0,0,0,1|1,0,0]=2 3329 B11R0.176 CCCC(=O)NCCOC(C)C 527a_100000701111_100000211992 [0,0,0,0,0,1|1,0,0]=2 3330 B11R0.176 CCCC(=O)NCCSC(=O)C 11a_100020647217_100000211992 [0,0,0,0,0,1|2,0,1]=4 3331 B11R0.176 CCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211992 [0,0,0,0,0,1|2,0,1]=4 3332 B11R0.176 CCCC(=O)NCCSC(=O)C 527a_100020647217_100000211992 [0,0,0,0,0,1|2,0,1]=4 3333 B11R0.176 CCCC(=O)NCCSC(C)C 11a_100000731138_100000211992 [0,0,0,0,0,1|1,0,0]=2 3334 B11R0.176 CCCC(=O)NCCSC(C)C 1626a_100000731138_100000211992 [0,0,0,0,0,1|1,0,0]=2 3335 B11R0.176 CCCC(=O)NCCSC(C)C 240690a_100000731138_100000211992 [0,0,0,0,0,1|1,0,0]=2 3336 B11R0.176 CCCC(=O)NCCSC(C)C 527a_100000731138_100000211992 [0,0,0,0,0,1|1,0,0]=2 3337 B11R0.176 CCCC(=O)NN=CCC(C)C 4a_100000189770_100000185833 [0,0,0,0,0,1|1,0,1]=3 3338 B11R0.176 CCCC(=O)NNCCN(C)C 22a_100000738145_100000211992 [0,0,0,0,0,1|2,0,0]=3 3339 B11R0.176 CCCC(=O)OCNCC(=O)N 2230a_100000711301_100000034017 [0,0,0,0,0,1|2,0,1]=4 3340 B11R0.176 CCCC(=O)OCNCC(=O)O 269956a_100016091260_100000034017 [0,0,0,0,0,1|2,0,1]=4 3341 B11R0.176 CCCC(=O)OCNCC(C)C 2230a_100000210953_100000034017 [0,0,0,0,0,1|0,0,0]=1 3342 B11R0.176 CCCC(=O)OCNCC(C)C 34a_100000210953_100000034017 [0,0,0,0,0,1|0,0,0]=1 3343 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [0,0,0,0,0,1|1,0,0]=2 3344 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [0,0,0,0,0,1|1,0,0]=2 3345 B11R0.176 CCCC(=O)OCNCC(F)F 34a_100000765723_100000034017 [0,0,0,0,0,1|2,0,0]=3 3346 B11R0.176 CCCC(=O)OCOCC(=O)C 34a_100000211253_100000034017 [0,0,0,0,0,1|1,0,1]=3 3347 B11R0.176 CCCC(=O)OCOCC(C)Br 34a_100012180447_100000034017 [0,0,0,0,0,1|1,0,0]=2 3348 B11R0.176 CCCC(=O)OCOCC(C)C 34a_100000210257_100000034017 [0,0,0,0,0,1|0,0,0]=1 3349 B11R0.176 CCCC(=O)OCOCC(C)F 34a_100015925927_100000034017 [0,0,0,0,0,1|1,0,0]=2 3350 B11R0.176 CCCC(=O)OCOCC(F)F 34a_100000743014_100000034017 [0,0,0,0,0,1|2,0,0]=3 3351 B11R0.176 CCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100000034017 [0,0,0,0,0,1|1,0,0]=2 3352 B11R0.176 CCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100000034017 [0,0,0,0,0,1|1,0,0]=2 3353 B11R0.176 CCCC(=O)OCSCC(=O)N 62a_100000747473_100000034017 [0,0,0,0,0,1|2,0,1]=4 3354 B11R0.176 CCCC(=O)OCSCC(=O)[O-] 62a_100020667443_100000034017 [0,0,0,0,0,1|2,0,1]=4 3355 B11R0.176 CCCC(=O)OCSCC(C)C 62a_100000210624_100000034017 [0,0,0,0,0,1|0,0,0]=1 3356 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [0,0,0,0,0,1|1,0,0]=2 3357 B11R0.176 CCCC(=O)OCSCC(F)F 62a_100011934356_100000034017 [0,0,0,0,0,1|2,0,0]=3 3358 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [0,0,0,0,0,1|1,0,0]=2 3359 B11R0.176 CCCC(C)CCCOC(C)C 34a_100011713154_100000210206 [0,0,0,0,0,1|2,0,1]=4 3360 B11R0.176 CCCC(C)CCCOC(C)C 7a_100011713154_100000210206 [0,0,0,0,0,1|2,0,1]=4 3361 B11R0.176 CCCC(C)CCOCC(C)C 34a_100011217855_100000210624 [0,0,0,0,0,1|2,0,1]=4 3362 B11R0.176 CCCC(C)CCOCC(C)C 7a_100011217855_100000210760 [0,0,0,0,0,1|2,0,1]=4 3363 B11R0.176 CCCC(C)CNCCC(C)C 270004a_100000210545_100000243154 [0,0,0,0,0,1|2,0,1]=4 3364 B11R0.176 CCCC(C)COCCC(C)Br 34a_100009893172_100011216630 [0,0,0,0,0,1|2,0,1]=4 3365 B11R0.176 CCCC(C)COCCC(C)C 34a_100000210254_100011216630 [0,0,0,0,0,1|1,0,1]=3 3366 B11R0.176 CCCC(C)COCCC(C)C 34a_100000688023_100000210312 [0,0,0,0,0,1|1,0,1]=3 3367 B11R0.176 CCCC(C)COCCC(C)C 7a_100000210254_100011216630 [0,0,0,0,0,1|1,0,1]=3 3368 B11R0.176 CCCC(C)COCCC(C)C 7a_100000688023_100000210626 [0,0,0,0,0,1|1,0,1]=3 3369 B11R0.176 CCCC(C)COCCC(C)O 34a_100000688023_100012276601 [0,0,0,0,0,1|2,0,1]=4 3370 B11R0.176 CCCC(C)COCCC(C)O 7a_100000688023_100012276601 [0,0,0,0,0,1|2,0,1]=4 3371 B11R0.176 CCCC(C)COCCN(C)C 7a_100000688023_100000755713 [0,0,0,0,0,1|2,0,1]=4 3372 B11R0.176 CCCC(C)COCC[C@@H](C)N 34a_100000706166_100011216630 [0,0,0,0,0,1|2,0,1]=4 3373 B11R0.176 CCCC(C)COCOC(C)C 34a_100000688023_100000709892 [0,0,0,0,0,1|2,0,1]=4 3374 B11R0.176 CCCC(C)CSCCC(C)C 62a_100000210312_100011216630 [0,0,0,0,0,1|1,1,1]=4 3375 B11R0.176 CCCC(C)CSCCC(C)C 62a_100011216630_100000210312 [0,0,0,0,0,1|1,1,1]=4 3376 B11R0.176 CCCC(C)NCCCC(C)C 2230a_100000741246_100011214892 [0,0,0,0,0,1|2,0,1]=4 3377 B11R0.176 CCCC(C)NCCCC(C)C 2230a_200000737386_100000766640 [0,0,0,0,0,1|2,0,1]=4 3378 B11R0.176 CCCC(C)NCCCC(C)C 270004a_200000737386_100000211909 [0,0,0,0,0,1|2,0,1]=4 3379 B11R0.176 CCCC(C)NCCCC(C)C 34a_200000737386_100000766640 [0,0,0,0,0,1|2,0,1]=4 3380 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000701111_100000766640 [0,0,0,0,0,1|2,0,1]=4 3381 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000741246_100000211751 [0,0,0,0,0,1|2,0,1]=4 3382 B11R0.176 CCCC(C)NCCOC(C)C 270004a_100000701111_100000211909 [0,0,0,0,0,1|2,0,1]=4 3383 B11R0.176 CCCC(C)NCCOC(C)C 34a_100000701111_100000766640 [0,0,0,0,0,1|2,0,1]=4 3384 B11R0.176 CCCC(C)NCCSC(C)C 2230a_100000731138_100000766640 [0,0,0,0,0,1|2,0,1]=4 3385 B11R0.176 CCCC(C)NCCSC(C)C 2230a_100000741246_100000730970 [0,0,0,0,0,1|2,0,1]=4 3386 B11R0.176 CCCC(C)NCCSC(C)C 270004a_100000731138_100000211909 [0,0,0,0,0,1|2,0,1]=4 3387 B11R0.176 CCCC(C)NCCSC(C)C 34a_100000731138_100000766640 [0,0,0,0,0,1|2,0,1]=4 3388 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [0,0,0,0,0,1|1,0,2]=4 3389 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [0,0,0,0,0,1|1,0,2]=4 3390 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000210774_100000766640 [0,0,0,0,0,1|1,0,1]=3 3391 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000764384_100011214892 [0,0,0,0,0,1|1,0,1]=3 3392 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000210774_100000766640 [0,0,0,0,0,1|1,0,1]=3 3393 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000764384_100011214892 [0,0,0,0,0,1|1,0,1]=3 3394 B11R0.176 CCCC(C)OCCCC(C)O 34a_100000764384_200000718107 [0,0,0,0,0,1|2,0,1]=4 3395 B11R0.176 CCCC(C)OCCCC(C)O 7a_100000764384_200000718107 [0,0,0,0,0,1|2,0,1]=4 3396 B11R0.176 CCCC(C)OCCCN(C)C 7a_100000764384_100000757444 [0,0,0,0,0,1|2,0,1]=4 3397 B11R0.176 CCCC(C)OCCNC(C)C 34a_100000224655_100000766640 [0,0,0,0,0,1|1,0,1]=3 3398 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000211219_100000766640 [0,0,0,0,0,1|1,0,1]=3 3399 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000764384_100000211751 [0,0,0,0,0,1|1,0,1]=3 3400 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000211219_100000766640 [0,0,0,0,0,1|1,0,1]=3 3401 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000764384_100000211751 [0,0,0,0,0,1|1,0,1]=3 3402 B11R0.176 CCCC(C)OCCSC(C)C 34a_100000764384_100000730970 [0,0,0,0,0,1|1,0,1]=3 3403 B11R0.176 CCCC(C)OCCSC(C)C 34a_200011212901_100000766640 [0,0,0,0,0,1|1,0,1]=3 3404 B11R0.176 CCCC(C)OCCSC(C)C 7a_100000764384_100000730970 [0,0,0,0,0,1|1,0,1]=3 3405 B11R0.176 CCCC(C)OCCSC(C)C 7a_200011212901_100000766640 [0,0,0,0,0,1|1,0,1]=3 3406 B11R0.176 CCCC(C)SCCCC(C)C 62a_100000766640_100011214892 [0,0,0,0,0,1|1,1,1]=4 3407 B11R0.176 CCCC(C)SCCCC(C)C 62a_100011214892_100000766640 [0,0,0,0,0,1|1,1,1]=4 3408 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000211751_100000766640 [0,0,0,0,0,1|1,1,1]=4 3409 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000766640_100000211751 [0,0,0,0,0,1|1,1,1]=4 3410 B11R0.176 CCCC(C)SCCSC(C)C 62a_100000730970_100000766640 [0,0,0,0,0,1|1,1,1]=4 3411 B11R0.176 CCCC(C)SCCSC(C)C 62a_100000766640_100000730970 [0,0,0,0,0,1|1,1,1]=4 3412 B11R0.176 CCCN(C)CCCCC(C)C 2230a_100000747261_100011216152 [0,0,0,0,0,1|3,0,0]=4 3413 B11R0.176 CCCN(C)CCCCC(C)C 269982a_100000747261_100011216152 [0,0,0,0,0,1|3,0,0]=4 3414 B11R0.176 CCC[C@H](N)CCOCC(C)C 34a_100015193777_100000210624 [0,0,0,0,0,1|2,0,1]=4 3415 B11R0.176 CCC[C@H](N)COCCC(C)C 34a_100000732646_100000210312 [0,0,0,0,0,1|1,0,1]=3 3416 B11R0.176 CCC[C@H](N)COCCC(C)O 34a_100000732646_100012276601 [0,0,0,0,0,1|2,0,1]=4 3417 B11R0.176 CCC[C@H](N)COCOC(C)C 34a_100000732646_100000709892 [0,0,0,0,0,1|2,0,1]=4 3418 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [0,0,0,0,0,1|2,0,0]=3 3419 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [0,0,0,0,0,1|2,0,0]=3 3420 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [0,0,0,0,0,1|2,0,0]=3 3421 B11R0.176 CCNC(=O)CCCCN(C)C 11a_100015525214_100000751710 [0,0,0,0,0,1|3,0,0]=4 3422 B11R0.176 CCNC(=O)CCCCN(C)C 240690a_100015525214_100000751710 [0,0,0,0,0,1|3,0,0]=4 3423 B11R0.176 CCNC(=O)CCCCN(C)C 527a_100015525214_100000751710 [0,0,0,0,0,1|3,0,0]=4 3424 B11R0.176 CCNC(=O)CCNCC(C)C 2230a_100000210953_100000737597 [0,0,0,0,0,1|2,0,0]=3 3425 B11R0.176 CCNC(=O)CCNCC(C)C 270004a_100025743525_100000210432 [0,0,0,0,0,1|2,0,0]=3 3426 B11R0.176 CCNC(=O)CCNCC(C)C 34a_100025743525_100000210624 [0,0,0,0,0,1|2,0,0]=3 3427 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [0,0,0,0,0,1|3,0,0]=4 3428 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [0,0,0,0,0,1|3,0,0]=4 3429 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [0,0,0,0,0,1|3,0,0]=4 3430 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000210624_100000737597 [0,0,0,0,0,1|2,0,0]=3 3431 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000737597_100000210760 [0,0,0,0,0,1|2,0,0]=3 3432 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [0,0,0,0,0,1|3,0,0]=4 3433 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [0,0,0,0,0,1|3,0,0]=4 3434 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [0,0,0,0,0,1|3,0,0]=4 3435 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [0,0,0,0,0,1|3,0,0]=4 3436 B11R0.176 CCNC(=O)CNCCC(C)C 2230a_100016988866_100000210312 [0,0,0,0,0,1|2,0,0]=3 3437 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_100016988866_100012276601 [0,0,0,0,0,1|3,0,0]=4 3438 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183381 [0,0,0,0,0,1|3,0,0]=4 3439 B11R0.176 CCNC(=O)CNCOC(C)C 2230a_100016988866_100000709892 [0,0,0,0,0,1|3,0,0]=4 3440 B11R0.176 CCNC(=O)COCC=C(C)C 34a_100000753907_100000183381 [0,0,0,0,0,1|1,0,2]=4 3441 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,0,0,0,0,1|2,0,1]=4 3442 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,0,0,0,0,1|2,0,1]=4 3443 B11R0.176 CCNC(=O)COCCC(C)Br 34a_100009893172_100000183381 [0,0,0,0,0,1|2,0,0]=3 3444 B11R0.176 CCNC(=O)COCCC(C)C 34a_100000210254_100000183381 [0,0,0,0,0,1|1,0,0]=2 3445 B11R0.176 CCNC(=O)COCCC(C)C 7a_100000210254_100000183381 [0,0,0,0,0,1|1,0,0]=2 3446 B11R0.176 CCNC(=O)COCCC(F)F 34a_100103093639_100000183381 [0,0,0,0,0,1|3,0,0]=4 3447 B11R0.176 CCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183381 [0,0,0,0,0,1|2,0,0]=3 3448 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000183381_100000210312 [0,0,0,0,0,1|1,1,0]=3 3449 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000210312_100000183381 [0,0,0,0,0,1|1,1,0]=3 3450 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100000183381_100012276601 [0,0,0,0,0,1|2,1,0]=4 3451 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100012276601_100000183381 [0,0,0,0,0,1|2,1,0]=4 3452 B11R0.176 CCNC(=O)CSCCN(C)C 62a_100000183381_100000755713 [0,0,0,0,0,1|2,1,0]=4 3453 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000183381_100000709892 [0,0,0,0,0,1|2,1,0]=4 3454 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000709892_100000183381 [0,0,0,0,0,1|2,1,0]=4 3455 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_100015525214_200000737386 [0,0,0,0,0,1|2,0,0]=3 3456 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_200000737386_100015525214 [0,0,0,0,0,1|2,0,0]=3 3457 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_100015525214_200000737386 [0,0,0,0,0,1|2,0,0]=3 3458 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_200000737386_100015525214 [0,0,0,0,0,1|2,0,0]=3 3459 B11R0.176 CCNC(=O)NCCCC(C)C 512a_100015525214_200000737386 [0,0,0,0,0,1|2,0,0]=3 3460 B11R0.176 CCNC(=O)NCCCC(C)C 512a_200000737386_100015525214 [0,0,0,0,0,1|2,0,0]=3 3461 B11R0.176 CCNC(=O)NCCCN(C)C 2708a_100015525214_102531767803 [0,0,0,0,0,1|3,0,0]=4 3462 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_100015525214_102531767803 [0,0,0,0,0,1|3,0,0]=4 3463 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_102531767803_100015525214 [0,0,0,0,0,1|3,0,0]=4 3464 B11R0.176 CCNC(=O)NCCCN(C)C 512a_100015525214_102531767803 [0,0,0,0,0,1|3,0,0]=4 3465 B11R0.176 CCNC(=O)NCCCN(C)C 512a_102531767803_100015525214 [0,0,0,0,0,1|3,0,0]=4 3466 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100000701111_100015525214 [0,0,0,0,0,1|2,0,0]=3 3467 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100015525214_100000701111 [0,0,0,0,0,1|2,0,0]=3 3468 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100000701111_100015525214 [0,0,0,0,0,1|2,0,0]=3 3469 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100015525214_100000701111 [0,0,0,0,0,1|2,0,0]=3 3470 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100000701111_100015525214 [0,0,0,0,0,1|2,0,0]=3 3471 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100015525214_100000701111 [0,0,0,0,0,1|2,0,0]=3 3472 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100000731138_100015525214 [0,0,0,0,0,1|2,0,0]=3 3473 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100015525214_100000731138 [0,0,0,0,0,1|2,0,0]=3 3474 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100000731138_100015525214 [0,0,0,0,0,1|2,0,0]=3 3475 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100015525214_100000731138 [0,0,0,0,0,1|2,0,0]=3 3476 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100000731138_100015525214 [0,0,0,0,0,1|2,0,0]=3 3477 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100015525214_100000731138 [0,0,0,0,0,1|2,0,0]=3 3478 B11R0.176 CCNC(=O)NNCCN(C)C 273464a_100015525214_100000738145 [0,0,0,0,0,1|3,0,0]=4 3479 B11R0.176 CCNC(=O)NNCCN(C)C 512a_100015525214_100000738145 [0,0,0,0,0,1|3,0,0]=4 3480 B11R0.176 CCOC(=O)/C=C/CNC(C)C 2230a_100138425928_100016267167 [0,0,0,0,0,1|2,0,1]=4 3481 B11R0.176 CCOC(=O)/C=C/CNC(C)C 34a_100138425928_100016267167 [0,0,0,0,0,1|2,0,1]=4 3482 B11R0.176 CCOC(=O)/C=C/COC(C)C 34a_100000212225_100016267167 [0,0,0,0,0,1|2,0,1]=4 3483 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100000210206_100016267167 [0,0,0,0,0,1|2,0,1]=4 3484 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100016267167_100000210206 [0,0,0,0,0,1|2,0,1]=4 3485 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [0,0,0,0,0,1|3,0,0]=4 3486 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [0,0,0,0,0,1|3,0,0]=4 3487 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [0,0,0,0,0,1|2,0,0]=3 3488 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [0,0,0,0,0,1|2,0,0]=3 3489 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [0,0,0,0,0,1|2,0,0]=3 3490 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [0,0,0,0,0,1|2,0,0]=3 3491 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [0,0,0,0,0,1|2,0,0]=3 3492 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [0,0,0,0,0,1|2,0,0]=3 3493 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [0,0,0,0,0,1|2,0,0]=3 3494 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [0,0,0,0,0,1|2,0,0]=3 3495 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,0,0,0,0,1|3,0,0]=4 3496 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,0,0,0,0,1|3,0,0]=4 3497 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [0,0,0,0,0,1|3,0,0]=4 3498 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [0,0,0,0,0,1|2,0,0]=3 3499 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [0,0,0,0,0,1|3,0,0]=4 3500 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [0,0,0,0,0,1|3,0,0]=4 3501 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [0,0,0,0,0,1|3,0,0]=4 3502 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [0,0,0,0,0,1|2,0,0]=3 3503 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [0,0,0,0,0,1|2,0,0]=3 3504 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,0,0,0,0,1|3,0,0]=4 3505 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,0,0,0,0,1|3,0,0]=4 3506 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,0,0,0,0,1|3,0,0]=4 3507 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,0,0,0,0,1|3,0,0]=4 3508 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,0,0,0,0,1|3,0,0]=4 3509 B11R0.176 CCOC(=O)COCC=C(C)C 34a_100000753907_100000188475 [0,0,0,0,0,1|1,0,2]=4 3510 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,0,0,0,0,1|2,0,1]=4 3511 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,0,0,0,0,1|2,0,1]=4 3512 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,0,0,0,0,1|2,0,1]=4 3513 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [0,0,0,0,0,1|2,0,0]=3 3514 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [0,0,0,0,0,1|1,0,0]=2 3515 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [0,0,0,0,0,1|1,0,0]=2 3516 B11R0.176 CCOC(=O)COCCC(F)F 34a_100103093639_100000188475 [0,0,0,0,0,1|3,0,0]=4 3517 B11R0.176 CCOC(=O)COCCN(C)C 2230a_100102631434_100000088970 [0,0,0,0,0,1|2,0,0]=3 3518 B11R0.176 CCOC(=O)COCCN(C)C 269982a_100102631434_100000088970 [0,0,0,0,0,1|2,0,0]=3 3519 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [0,0,0,0,0,1|2,0,0]=3 3520 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [0,0,0,0,0,1|1,1,0]=3 3521 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [0,0,0,0,0,1|1,1,0]=3 3522 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,0,0,0,0,1|2,1,0]=4 3523 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,0,0,0,0,1|2,1,0]=4 3524 B11R0.176 CCOC(=O)CSCCN(C)C 62a_100000188475_100000755713 [0,0,0,0,0,1|2,1,0]=4 3525 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000188475_100000709892 [0,0,0,0,0,1|2,1,0]=4 3526 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000709892_100000188475 [0,0,0,0,0,1|2,1,0]=4 3527 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [0,0,0,0,0,1|2,0,0]=3 3528 B11R0.176 CCOC(=O)NCCSC(C)C 62a_100000210206_200011445536 [0,0,0,0,0,1|2,0,0]=3 3529 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [0,0,0,0,0,1|1,0,0]=2 3530 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [0,0,0,0,0,1|2,0,0]=3 3531 B11R0.176 CCOC(=O)OCSCC(F)F 62a_100011934356_100000075025 [0,0,0,0,0,1|3,0,0]=4 3532 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [0,0,0,0,0,1|2,0,0]=3 3533 B11R0.176 CN(C)CCCNC(=O)CCO 240690a_102531767803_100011216618 [0,0,0,0,0,1|3,0,0]=4 3534 B11R0.176 CN(C)CCNNC(=O)CCO 22a_100000738145_100011216618 [0,0,0,0,0,1|3,0,0]=4 3535 B11R0.176 CNNC(=O)CCCCC(C)C 22a_100016993582_100011933920 [0,0,0,0,0,1|3,0,0]=4 3536 B11R0.176 CNNC(=O)NCCCC(C)C 273464a_200000737386_100016993582 [0,0,0,0,0,1|3,0,0]=4 3537 B11R0.176 CNNC(=O)NCCCC(C)C 512a_100016993582_200000737386 [0,0,0,0,0,1|3,0,0]=4 3538 B11R0.176 CNNC(=O)NCCCC(C)C 512a_200000737386_100016993582 [0,0,0,0,0,1|3,0,0]=4 3539 B11R0.176 CNNC(=O)NCCOC(C)C 273464a_100000701111_100016993582 [0,0,0,0,0,1|3,0,0]=4 3540 B11R0.176 CNNC(=O)NCCOC(C)C 512a_100000701111_100016993582 [0,0,0,0,0,1|3,0,0]=4 3541 B11R0.176 CNNC(=O)NCCOC(C)C 512a_100016993582_100000701111 [0,0,0,0,0,1|3,0,0]=4 3542 B11R0.176 CNNC(=O)NCCSC(C)C 273464a_100000731138_100016993582 [0,0,0,0,0,1|3,0,0]=4 3543 B11R0.176 CNNC(=O)NCCSC(C)C 512a_100000731138_100016993582 [0,0,0,0,0,1|3,0,0]=4 3544 B11R0.176 CNNC(=O)NCCSC(C)C 512a_100016993582_100000731138 [0,0,0,0,0,1|3,0,0]=4 3545 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [0,0,0,0,0,1|2,0,0]=3 3546 B11R0.176 COCC(=O)NCCCC(C)C 11a_200000737386_100000210968 [0,0,0,0,0,1|2,0,0]=3 3547 B11R0.176 COCC(=O)NCCCC(C)C 1626a_200000737386_100000210968 [0,0,0,0,0,1|2,0,0]=3 3548 B11R0.176 COCC(=O)NCCCC(C)C 240690a_200000737386_100000210968 [0,0,0,0,0,1|2,0,0]=3 3549 B11R0.176 COCC(=O)NCCCC(C)C 527a_200000737386_100000210968 [0,0,0,0,0,1|2,0,0]=3 3550 B11R0.176 COCC(=O)NCCCN(C)C 240690a_102531767803_100000210968 [0,0,0,0,0,1|3,0,0]=4 3551 B11R0.176 COCC(=O)NCCCN(C)C 527a_102531767803_100000210968 [0,0,0,0,0,1|3,0,0]=4 3552 B11R0.176 COCC(=O)NCCOC(C)C 11a_100000701111_100000210968 [0,0,0,0,0,1|2,0,0]=3 3553 B11R0.176 COCC(=O)NCCOC(C)C 1626a_100000701111_100000210968 [0,0,0,0,0,1|2,0,0]=3 3554 B11R0.176 COCC(=O)NCCOC(C)C 240690a_100000701111_100000210968 [0,0,0,0,0,1|2,0,0]=3 3555 B11R0.176 COCC(=O)NCCOC(C)C 527a_100000701111_100000210968 [0,0,0,0,0,1|2,0,0]=3 3556 B11R0.176 COCC(=O)NCCSC(C)C 11a_100000731138_100000210968 [0,0,0,0,0,1|2,0,0]=3 3557 B11R0.176 COCC(=O)NCCSC(C)C 1626a_100000731138_100000210968 [0,0,0,0,0,1|2,0,0]=3 3558 B11R0.176 COCC(=O)NCCSC(C)C 240690a_100000731138_100000210968 [0,0,0,0,0,1|2,0,0]=3 3559 B11R0.176 COCC(=O)NCCSC(C)C 527a_100000731138_100000210968 [0,0,0,0,0,1|2,0,0]=3 3560 B11R0.176 COCC(=O)NN=CCC(C)C 4a_100000216845_100000185833 [0,0,0,0,0,1|2,0,1]=4 3561 B11R0.176 COCC(=O)NNCCN(C)C 22a_100000738145_100000210968 [0,0,0,0,0,1|3,0,0]=4 3562 B11R0.176 COCC(C)OCCCC(C)C 34a_100000210774_100000765312 [0,0,0,0,0,1|2,0,1]=4 3563 B11R0.176 COCC(C)OCCCC(C)C 7a_100000210774_100000765312 [0,0,0,0,0,1|2,0,1]=4 3564 B11R0.176 COCC(C)OCCNC(C)C 34a_100000224655_100000765312 [0,0,0,0,0,1|2,0,1]=4 3565 B11R0.176 COCC(C)OCCOC(C)C 34a_100000211219_100000765312 [0,0,0,0,0,1|2,0,1]=4 3566 B11R0.176 COCC(C)OCCOC(C)C 7a_100000211219_100000765312 [0,0,0,0,0,1|2,0,1]=4 3567 B11R0.176 COCC(C)OCCSC(C)C 34a_200011212901_100000765312 [0,0,0,0,0,1|2,0,1]=4 3568 B11R0.176 COCC(C)OCCSC(C)C 7a_200011212901_100000765312 [0,0,0,0,0,1|2,0,1]=4 3569 B11R0.176 COCC(N)COCCC(C)C 34a_100000724102_100000210312 [0,0,0,0,0,1|2,0,1]=4 3570 B11R0.176 COCC(O)COCCC(C)C 34a_100000210254_100011215053 [0,0,0,0,0,1|1,0,2]=4 3571 B11R0.176 COCC(O)COCCC(C)C 7a_100000210254_100011215053 [0,0,0,0,0,1|1,0,2]=4 3572 B11R0.176 COC[C@@H](C)OCCCC(C)C 34a_100011934205_100011214892 [0,0,0,0,0,1|2,0,1]=4 3573 B11R0.176 COC[C@@H](C)OCCOC(C)C 34a_100011934205_100000211751 [0,0,0,0,0,1|2,0,1]=4 3574 B11R0.176 COC[C@@H](C)OCCSC(C)C 34a_100011934205_100000730970 [0,0,0,0,0,1|2,0,1]=4 3575 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [0,0,0,0,0,1|2,0,0]=3 3576 B11R0.176 CSCC(=O)NCCCC(C)C 11a_200000737386_100000184570 [0,0,0,0,0,1|2,0,0]=3 3577 B11R0.176 CSCC(=O)NCCCC(C)C 1626a_200000737386_100000184570 [0,0,0,0,0,1|2,0,0]=3 3578 B11R0.176 CSCC(=O)NCCCC(C)C 240690a_200000737386_100000184570 [0,0,0,0,0,1|2,0,0]=3 3579 B11R0.176 CSCC(=O)NCCCC(C)C 527a_200000737386_100000184570 [0,0,0,0,0,1|2,0,0]=3 3580 B11R0.176 CSCC(=O)NCCCN(C)C 240690a_102531767803_100000184570 [0,0,0,0,0,1|3,0,0]=4 3581 B11R0.176 CSCC(=O)NCCCN(C)C 527a_102531767803_100000184570 [0,0,0,0,0,1|3,0,0]=4 3582 B11R0.176 CSCC(=O)NCCOC(C)C 11a_100000701111_100000184570 [0,0,0,0,0,1|2,0,0]=3 3583 B11R0.176 CSCC(=O)NCCOC(C)C 1626a_100000701111_100000184570 [0,0,0,0,0,1|2,0,0]=3 3584 B11R0.176 CSCC(=O)NCCOC(C)C 240690a_100000701111_100000184570 [0,0,0,0,0,1|2,0,0]=3 3585 B11R0.176 CSCC(=O)NCCOC(C)C 527a_100000701111_100000184570 [0,0,0,0,0,1|2,0,0]=3 3586 B11R0.176 CSCC(=O)NCCSC(C)C 11a_100000731138_100000184570 [0,0,0,0,0,1|2,0,0]=3 3587 B11R0.176 CSCC(=O)NCCSC(C)C 1626a_100000731138_100000184570 [0,0,0,0,0,1|2,0,0]=3 3588 B11R0.176 CSCC(=O)NCCSC(C)C 240690a_100000731138_100000184570 [0,0,0,0,0,1|2,0,0]=3 3589 B11R0.176 CSCC(=O)NCCSC(C)C 527a_100000731138_100000184570 [0,0,0,0,0,1|2,0,0]=3 3590 B11R0.176 CSCC(=O)NNCCN(C)C 22a_100000738145_100000184570 [0,0,0,0,0,1|3,0,0]=4 3591 B11R0.176 C[C@@H](N)CCOCC(=O)NCO 34a_100000706166_100000185155 [0,0,0,0,0,1|3,0,0]=4 3592 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|2,0,0]=4 3593 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|2,0,0]=4 3594 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|2,0,0]=4 3595 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|2,0,0]=4 3596 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|2,0,0]=4 3597 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|2,0,0]=4 3598 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 3599 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 3600 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 3601 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 3602 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 3603 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 3604 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [2,0,0,0,0,0|2,0,0]=4 3605 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [2,0,0,0,0,0|2,0,0]=4 3606 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 3607 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 3608 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 3609 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 3610 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 3611 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 3612 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 3613 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 3614 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 3615 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 3616 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 3617 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [2,0,0,0,0,0|1,0,0]=3 3618 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [2,0,0,0,0,0|1,0,0]=3 3619 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [2,0,0,0,0,0|1,0,1]=4 3620 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [2,0,0,0,0,0|1,0,1]=4 3621 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|1,0,0]=3 3622 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|1,0,0]=3 3623 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|2,0,0]=4 3624 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|2,0,0]=4 3625 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|2,0,0]=4 3626 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|2,0,0]=4 3627 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|2,0,0]=4 3628 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|2,0,0]=4 3629 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 3630 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 3631 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 3632 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 3633 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 3634 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 3635 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 3636 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 3637 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 3638 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 3639 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 3640 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 3641 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [2,0,0,0,0,0|1,0,1]=4 3642 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [2,0,0,0,0,0|1,0,1]=4 3643 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [2,0,0,0,0,0|1,0,1]=4 3644 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [2,0,0,0,0,0|2,0,0]=4 3645 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|2,0,0]=4 3646 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|2,0,0]=4 3647 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|2,0,0]=4 3648 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|2,0,0]=4 3649 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|2,0,0]=4 3650 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|2,0,0]=4 3651 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|2,0,0]=4 3652 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|2,0,0]=4 3653 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|2,0,0]=4 3654 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [2,0,0,0,0,0|2,0,0]=4 3655 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [2,0,0,0,0,0|2,0,0]=4 3656 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [2,0,0,0,0,0|2,0,0]=4 3657 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [2,0,0,0,0,0|2,0,0]=4 3658 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [2,0,0,0,0,0|2,0,0]=4 3659 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [2,0,0,0,0,0|2,0,0]=4 3660 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [2,0,0,0,0,0|2,0,0]=4 3661 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [2,0,0,0,0,0|2,0,0]=4 3662 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [2,0,0,0,0,0|2,0,0]=4 3663 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [2,0,0,0,0,0|2,0,0]=4 3664 B8R0.7 C#CCOCCC(C)C 34a_100000210247_100000210312 [2,0,0,0,0,0|0,0,2]=4 3665 B8R0.7 C#CCOCCC(C)C 34a_100000210254_100000184674 [2,0,0,0,0,0|0,0,2]=4 3666 B8R0.7 C#CCOCCC(C)C 7a_100000210254_100000038162 [2,0,0,0,0,0|0,0,2]=4 3667 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [2,0,0,0,0,0|0,0,2]=4 3668 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [2,0,0,0,0,0|0,0,2]=4 3669 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [2,0,0,0,0,0|0,0,2]=4 3670 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [2,0,0,0,0,0|0,0,2]=4 3671 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [2,0,0,0,0,0|0,0,2]=4 3672 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [2,0,0,0,0,0|2,0,0]=4 3673 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [2,0,0,0,0,0|2,0,0]=4 3674 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [2,0,0,0,0,0|1,0,1]=4 3675 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [2,0,0,0,0,0|1,0,1]=4 3676 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [2,0,0,0,0,0|1,0,1]=4 3677 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [2,0,0,0,0,0|1,0,1]=4 3678 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [2,0,0,0,0,0|2,0,0]=4 3679 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [2,0,0,0,0,0|2,0,0]=4 3680 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [2,0,0,0,0,0|2,0,0]=4 3681 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [2,0,0,0,0,0|2,0,0]=4 3682 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [2,0,0,0,0,0|2,0,0]=4 3683 B8R0.7 CC(C)CCOCC#N 7a_100000210254_100011215382 [2,0,0,0,0,0|1,0,1]=4 3684 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [2,0,0,0,0,0|1,0,1]=4 3685 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [2,0,0,0,0,0|1,0,1]=4 3686 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [2,0,0,0,0,0|1,0,0]=3 3687 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [2,0,0,0,0,0|1,0,0]=3 3688 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [2,0,0,0,0,0|1,0,0]=3 3689 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [2,0,0,0,0,0|1,0,0]=3 3690 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [2,0,0,0,0,0|1,0,0]=3 3691 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [2,0,0,0,0,0|1,0,0]=3 3692 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [2,0,0,0,0,0|1,1,0]=4 3693 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [2,0,0,0,0,0|1,1,0]=4 3694 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [2,0,0,0,0,0|1,1,0]=4 3695 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [2,0,0,0,0,0|1,1,0]=4 3696 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [2,0,0,0,0,0|1,0,1]=4 3697 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [2,0,0,0,0,0|1,0,1]=4 3698 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [2,0,0,0,0,0|1,0,1]=4 3699 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [2,0,0,0,0,0|1,0,1]=4 3700 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [2,0,0,0,0,0|1,0,1]=4 3701 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [2,0,0,0,0,0|1,0,1]=4 3702 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [2,0,0,0,0,0|1,0,1]=4 3703 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [2,0,0,0,0,0|1,0,1]=4 3704 B8R0.7 CC(C)OCOCCBr 34a_100000211926_100000709892 [2,0,0,0,0,0|2,0,0]=4 3705 B8R0.7 CC(C)OCOCCN 34a_100000210304_100000709892 [2,0,0,0,0,0|2,0,0]=4 3706 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [2,0,0,0,0,0|2,0,0]=4 3707 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [2,0,0,0,0,0|2,0,0]=4 3708 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [2,0,0,0,0,0|1,0,1]=4 3709 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [2,0,0,0,0,0|1,0,1]=4 3710 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [2,0,0,0,0,0|1,0,1]=4 3711 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [2,0,0,0,0,0|1,0,1]=4 3712 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [2,0,0,0,0,0|1,0,1]=4 3713 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [2,0,0,0,0,0|1,0,1]=4 3714 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [2,0,0,0,0,0|1,0,1]=4 3715 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [2,0,0,0,0,0|1,0,1]=4 3716 B8R0.7 CCCC=NNC(C)C 4a_100000741168_100000185831 [2,0,0,0,0,0|2,0,0]=4 3717 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|1,0,1]=4 3718 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|1,0,1]=4 3719 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|1,0,1]=4 3720 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|1,0,1]=4 3721 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|1,0,1]=4 3722 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|1,0,1]=4 3723 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [2,0,0,0,0,0|1,0,1]=4 3724 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [2,0,0,0,0,0|1,0,1]=4 3725 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [2,0,0,0,0,0|1,0,1]=4 3726 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 3727 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [2,0,0,0,0,0|1,0,1]=4 3728 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 3729 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [2,0,0,0,0,0|1,0,1]=4 3730 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [2,0,0,0,0,0|1,0,1]=4 3731 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [2,0,0,0,0,0|1,0,1]=4 3732 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [2,0,0,0,0,0|1,0,1]=4 3733 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [2,0,0,0,0,0|1,0,1]=4 3734 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [2,0,0,0,0,0|1,0,1]=4 3735 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [2,0,0,0,0,0|1,0,1]=4 3736 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [2,0,0,0,0,0|1,0,1]=4 3737 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [2,0,0,0,0,0|0,0,1]=3 3738 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [2,0,0,0,0,0|0,0,1]=3 3739 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [2,0,0,0,0,0|0,0,1]=3 3740 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [2,0,0,0,0,0|1,0,1]=4 3741 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [2,0,0,0,0,0|1,0,1]=4 3742 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [2,0,0,0,0,0|1,0,1]=4 3743 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [2,0,0,0,0,0|1,0,1]=4 3744 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [2,0,0,0,0,0|1,0,1]=4 3745 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [2,0,0,0,0,0|1,0,1]=4 3746 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [2,0,0,0,0,0|1,0,1]=4 3747 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [2,0,0,0,0,0|1,0,1]=4 3748 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [2,0,0,0,0,0|1,0,1]=4 3749 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [2,0,0,0,0,0|0,1,1]=4 3750 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [2,0,0,0,0,0|0,1,1]=4 3751 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [2,0,0,0,0,0|1,0,0]=3 3752 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [2,0,0,0,0,0|2,0,0]=4 3753 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [2,0,0,0,0,0|0,0,2]=4 3754 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [2,0,0,0,0,0|0,0,2]=4 3755 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|1,0,1]=4 3756 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|1,0,1]=4 3757 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|1,0,1]=4 3758 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [2,0,0,0,0,0|1,0,0]=3 3759 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [2,0,0,0,0,0|0,0,0]=2 3760 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [2,0,0,0,0,0|0,0,0]=2 3761 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [2,0,0,0,0,0|0,0,0]=2 3762 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [2,0,0,0,0,0|1,0,0]=3 3763 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [2,0,0,0,0,0|2,0,0]=4 3764 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [2,0,0,0,0,0|1,0,0]=3 3765 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [2,0,0,0,0,0|1,0,0]=3 3766 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [2,0,0,0,0,0|1,0,0]=3 3767 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [2,0,0,0,0,0|1,0,0]=3 3768 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [2,0,0,0,0,0|0,1,0]=3 3769 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [2,0,0,0,0,0|0,1,0]=3 3770 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [2,0,0,0,0,0|1,1,0]=4 3771 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [2,0,0,0,0,0|1,1,0]=4 3772 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [2,0,0,0,0,0|1,1,0]=4 3773 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [2,0,0,0,0,0|1,1,0]=4 3774 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [2,0,0,0,0,0|1,1,0]=4 3775 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [2,0,0,0,0,0|1,0,1]=4 3776 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [2,0,0,0,0,0|1,0,1]=4 3777 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [2,0,0,0,0,0|1,0,1]=4 3778 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [2,0,0,0,0,0|1,0,1]=4 3779 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [2,0,0,0,0,0|1,0,1]=4 3780 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [2,0,0,0,0,0|1,0,1]=4 3781 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [2,0,0,0,0,0|1,0,1]=4 3782 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [2,0,0,0,0,0|1,0,1]=4 3783 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [2,0,0,0,0,0|2,0,0]=4 3784 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [2,0,0,0,0,0|2,0,0]=4 3785 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [2,0,0,0,0,0|2,0,0]=4 3786 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [2,0,0,0,0,0|2,0,0]=4 3787 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [2,0,0,0,0,0|2,0,0]=4 3788 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [2,0,0,0,0,0|2,0,0]=4 3789 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [2,0,0,0,0,0|1,0,1]=4 3790 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [2,0,0,0,0,0|1,0,1]=4 3791 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [2,0,0,0,0,0|1,0,1]=4 3792 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [2,0,0,0,0,0|1,0,1]=4 3793 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [2,0,0,0,0,0|1,0,1]=4 3794 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [2,0,0,0,0,0|1,0,1]=4 3795 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [2,0,0,0,0,0|1,0,1]=4 3796 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [2,0,0,0,0,0|1,0,1]=4 3797 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [2,0,0,0,0,0|1,0,1]=4 3798 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [2,0,0,0,0,0|1,0,1]=4 3799 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [2,0,0,0,0,0|1,1,0]=4 3800 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [2,0,0,0,0,0|1,1,0]=4 3801 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [2,0,0,0,0,0|1,0,1]=4 3802 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [2,0,0,0,0,0|1,0,1]=4 3803 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [2,0,0,0,0,0|1,0,1]=4 3804 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [2,0,0,0,0,0|1,0,1]=4 3805 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [2,0,0,0,0,0|1,0,1]=4 3806 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [2,0,0,0,0,0|2,0,0]=4 3807 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [2,0,0,0,0,0|1,0,0]=3 3808 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [2,0,0,0,0,0|2,0,0]=4 3809 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [2,0,0,0,0,0|1,1,0]=4 3810 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [2,0,0,0,0,0|1,1,0]=4 3811 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [2,0,0,0,0,0|2,0,0]=4 3812 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [2,0,0,0,0,0|2,0,0]=4 3813 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [2,0,0,0,0,0|1,0,0]=3 3814 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [2,0,0,0,0,0|1,0,0]=3 3815 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [2,0,0,0,0,0|2,0,0]=4 3816 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [2,0,0,0,0,0|2,0,0]=4 3817 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [2,0,0,0,0,0|2,0,0]=4 3818 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [2,0,0,0,0,0|1,0,1]=4 3819 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [2,0,0,0,0,0|2,0,0]=4 3820 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [2,0,0,0,0,0|2,0,0]=4 3821 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [2,0,0,0,0,0|2,0,0]=4 3822 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [2,0,0,0,0,0|2,0,0]=4 3823 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [2,0,0,0,0,0|2,0,0]=4 3824 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [2,0,0,0,0,0|2,0,0]=4 3825 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [2,0,0,0,0,0|2,0,0]=4 3826 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [2,0,0,0,0,0|2,0,0]=4 3827 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [2,0,0,0,0,0|1,0,0]=3 3828 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [2,0,0,0,0,0|1,0,0]=3 3829 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [2,0,0,0,0,0|1,0,0]=3 3830 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [2,0,0,0,0,0|1,0,0]=3 3831 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [2,0,0,0,0,0|2,0,0]=4 3832 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [2,0,0,0,0,0|2,0,0]=4 3833 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [2,0,0,0,0,0|2,0,0]=4 3834 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [2,0,0,0,0,0|2,0,0]=4 3835 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [2,0,0,0,0,0|2,0,0]=4 3836 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [2,0,0,0,0,0|2,0,0]=4 3837 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [2,0,0,0,0,0|2,0,0]=4 3838 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [2,0,0,0,0,0|1,0,0]=3 3839 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [2,0,0,0,0,0|1,0,0]=3 3840 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [2,0,0,0,0,0|1,0,0]=3 3841 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [2,0,0,0,0,0|1,0,0]=3 3842 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [2,0,0,0,0,0|1,0,0]=3 3843 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [2,0,0,0,0,0|1,0,0]=3 3844 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [2,0,0,0,0,0|1,0,1]=4 3845 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [2,0,0,0,0,0|1,0,1]=4 3846 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [2,0,0,0,0,0|1,0,1]=4 3847 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [2,0,0,0,0,0|2,0,0]=4 3848 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [2,0,0,0,0,0|2,0,0]=4 3849 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [2,0,0,0,0,0|2,0,0]=4 3850 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [2,0,0,0,0,0|2,0,0]=4 3851 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [2,0,0,0,0,0|2,0,0]=4 3852 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [2,0,0,0,0,0|2,0,0]=4 3853 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [2,0,0,0,0,0|2,0,0]=4 3854 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [2,0,0,0,0,0|2,0,0]=4 3855 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [2,0,0,0,0,0|2,0,0]=4 3856 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|2,0,0]=4 3857 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|2,0,0]=4 3858 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|2,0,0]=4 3859 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|2,0,0]=4 3860 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|2,0,0]=4 3861 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|2,0,0]=4 3862 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,1]=4 3863 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,1]=4 3864 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [2,0,0,0,0,0|1,0,1]=4 3865 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|0,0,1]=3 3866 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|0,0,1]=3 3867 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [2,0,0,0,0,0|1,0,1]=4 3868 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [2,0,0,0,0,0|1,0,1]=4 3869 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [2,0,0,0,0,0|1,0,1]=4 3870 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [2,0,0,0,0,0|1,0,1]=4 3871 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|1,0,1]=4 3872 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|1,0,1]=4 3873 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|1,0,1]=4 3874 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [2,0,0,0,0,0|1,0,1]=4 3875 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [2,0,0,0,0,0|1,0,1]=4 3876 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [2,0,0,0,0,0|1,0,1]=4 3877 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [2,0,0,0,0,0|1,0,1]=4 3878 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [2,0,0,0,0,0|1,0,1]=4 3879 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [2,0,0,0,0,0|1,0,1]=4 3880 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [2,0,0,0,0,0|1,0,1]=4 3881 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [2,0,0,0,0,0|1,0,1]=4 3882 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [2,0,0,0,0,0|1,0,1]=4 3883 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [2,0,0,0,0,0|1,0,1]=4 3884 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [2,0,0,0,0,0|1,0,1]=4 3885 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [2,0,0,0,0,0|1,0,1]=4 3886 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [2,0,0,0,0,0|1,0,1]=4 3887 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [2,0,0,0,0,0|1,0,1]=4 3888 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [2,0,0,0,0,0|1,0,1]=4 3889 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [2,0,0,0,0,0|1,0,1]=4 3890 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [2,0,0,0,0,0|1,0,1]=4 3891 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [2,0,0,0,0,0|1,0,1]=4 3892 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [2,0,0,0,0,0|1,0,1]=4 3893 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [2,0,0,0,0,0|1,0,1]=4 3894 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|1,0,1]=4 3895 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [2,0,0,0,0,0|1,0,1]=4 3896 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [2,0,0,0,0,0|1,0,1]=4 3897 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|0,1,1]=4 3898 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [2,0,0,0,0,0|0,0,2]=4 3899 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [2,0,0,0,0,0|0,0,2]=4 3900 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [2,0,0,0,0,0|0,0,2]=4 3901 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [2,0,0,0,0,0|0,0,2]=4 3902 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [2,0,0,0,0,0|0,0,2]=4 3903 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [2,0,0,0,0,0|0,0,2]=4 3904 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [2,0,0,0,0,0|0,0,2]=4 3905 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [2,0,0,0,0,0|0,0,2]=4 3906 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [2,0,0,0,0,0|0,0,2]=4 3907 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [2,0,0,0,0,0|0,0,2]=4 3908 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [2,0,0,0,0,0|0,0,2]=4 3909 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [2,0,0,0,0,0|0,0,2]=4 3910 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [2,0,0,0,0,0|0,0,2]=4 3911 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [2,0,0,0,0,0|0,0,2]=4 3912 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [2,0,0,0,0,0|0,0,2]=4 3913 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [2,0,0,0,0,0|0,0,2]=4 3914 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [2,0,0,0,0,0|1,0,1]=4 3915 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [2,0,0,0,0,0|1,0,1]=4 3916 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [2,0,0,0,0,0|1,0,0]=3 3917 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [2,0,0,0,0,0|1,0,0]=3 3918 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [2,0,0,0,0,0|1,0,0]=3 3919 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [2,0,0,0,0,0|1,0,0]=3 3920 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [2,0,0,0,0,0|1,0,0]=3 3921 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [2,0,0,0,0,0|1,0,0]=3 3922 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [2,0,0,0,0,0|1,0,0]=3 3923 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [2,0,0,0,0,0|1,0,0]=3 3924 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [2,0,0,0,0,0|1,0,0]=3 3925 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [2,0,0,0,0,0|1,0,0]=3 3926 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [2,0,0,0,0,0|1,0,0]=3 3927 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [2,0,0,0,0,0|2,0,0]=4 3928 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [2,0,0,0,0,0|2,0,0]=4 3929 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 3930 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 3931 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 3932 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 3933 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [2,0,0,0,0,0|2,0,0]=4 3934 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [2,0,0,0,0,0|2,0,0]=4 3935 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [2,0,0,0,0,0|2,0,0]=4 3936 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [2,0,0,0,0,0|1,0,0]=3 3937 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [2,0,0,0,0,0|1,0,0]=3 3938 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [2,0,0,0,0,0|1,0,0]=3 3939 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [2,0,0,0,0,0|1,0,0]=3 3940 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [2,0,0,0,0,0|1,0,0]=3 3941 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [2,0,0,0,0,0|1,0,1]=4 3942 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [2,0,0,0,0,0|1,0,1]=4 3943 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|0,0,0]=2 3944 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|0,0,0]=2 3945 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [2,0,0,0,0,0|1,0,0]=3 3946 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [2,0,0,0,0,0|1,0,0]=3 3947 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [2,0,0,0,0,0|1,0,0]=3 3948 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [2,0,0,0,0,0|1,0,0]=3 3949 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [2,0,0,0,0,0|1,0,0]=3 3950 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 3951 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 3952 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 3953 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [2,0,0,0,0,0|2,0,0]=4 3954 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [2,0,0,0,0,0|2,0,0]=4 3955 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [2,0,0,0,0,0|2,0,0]=4 3956 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [2,0,0,0,0,0|2,0,0]=4 3957 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [2,0,0,0,0,0|2,0,0]=4 3958 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [2,0,0,0,0,0|2,0,0]=4 3959 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [2,0,0,0,0,0|2,0,0]=4 3960 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [2,0,0,0,0,0|2,0,0]=4 3961 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [2,0,0,0,0,0|2,0,0]=4 3962 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 3963 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 3964 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 3965 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 3966 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [2,0,0,0,0,0|2,0,0]=4 3967 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [2,0,0,0,0,0|2,0,0]=4 3968 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [2,0,0,0,0,0|2,0,0]=4 3969 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [2,0,0,0,0,0|2,0,0]=4 3970 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [2,0,0,0,0,0|2,0,0]=4 3971 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [2,0,0,0,0,0|2,0,0]=4 3972 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 3973 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 3974 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 3975 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [2,0,0,0,0,0|2,0,0]=4 3976 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 3977 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 3978 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 3979 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 3980 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 3981 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [2,0,0,0,0,0|2,0,0]=4 3982 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [2,0,0,0,0,0|2,0,0]=4 3983 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [2,0,0,0,0,0|2,0,0]=4 3984 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [2,0,0,0,0,0|2,0,0]=4 3985 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 3986 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 3987 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 3988 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 3989 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 3990 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 3991 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [2,0,0,0,0,0|1,0,0]=3 3992 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [2,0,0,0,0,0|1,0,0]=3 3993 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [2,0,0,0,0,0|1,0,0]=3 3994 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [2,0,0,0,0,0|1,0,0]=3 3995 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [2,0,0,0,0,0|1,0,0]=3 3996 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [2,0,0,0,0,0|1,0,0]=3 3997 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [2,0,0,0,0,0|1,0,0]=3 3998 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [2,0,0,0,0,0|1,0,0]=3 3999 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [2,0,0,0,0,0|1,0,1]=4 4000 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [2,0,0,0,0,0|1,0,1]=4 4001 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [2,0,0,0,0,0|1,0,1]=4 4002 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 4003 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [2,0,0,0,0,0|2,0,0]=4 4004 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 4005 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [2,0,0,0,0,0|2,0,0]=4 4006 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 4007 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 4008 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 4009 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 4010 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 4011 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 4012 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [2,0,0,0,0,0|2,0,0]=4 4013 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [2,0,0,0,0,0|2,0,0]=4 4014 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [2,0,0,0,0,0|2,0,0]=4 4015 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [2,0,0,0,0,0|2,0,0]=4 4016 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 4017 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 4018 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [2,0,0,0,0,0|2,0,0]=4 4019 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 4020 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 4021 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 4022 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 4023 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [2,0,0,0,0,0|2,0,0]=4 4024 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [2,0,0,0,0,0|2,0,0]=4 4025 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [2,0,0,0,0,0|2,0,0]=4 4026 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [2,0,0,0,0,0|2,0,0]=4 4027 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [2,0,0,0,0,0|2,0,0]=4 4028 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [2,0,0,0,0,0|2,0,0]=4 4029 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [2,0,0,0,0,0|2,0,0]=4 4030 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [2,0,0,0,0,0|2,0,0]=4 4031 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [2,0,0,0,0,0|2,0,0]=4 4032 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [2,0,0,0,0,0|2,0,0]=4 4033 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [2,0,0,0,0,0|2,0,0]=4 4034 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [2,0,0,0,0,0|2,0,0]=4 4035 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [2,0,0,0,0,0|2,0,0]=4 4036 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [2,0,0,0,0,0|2,0,0]=4 4037 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [2,0,0,0,0,0|2,0,0]=4 4038 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [2,0,0,0,0,0|2,0,0]=4 4039 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [2,0,0,0,0,0|2,0,0]=4 4040 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [2,0,0,0,0,0|2,0,0]=4 4041 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [2,0,0,0,0,0|2,0,0]=4 4042 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [2,0,0,0,0,0|2,0,0]=4 4043 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [2,0,0,0,0,0|2,0,0]=4 4044 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [2,0,0,0,0,0|2,0,0]=4 4045 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [2,0,0,0,0,0|2,0,0]=4 4046 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [2,0,0,0,0,0|2,0,0]=4 4047 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [2,0,0,0,0,0|2,0,0]=4 4048 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [2,0,0,0,0,0|2,0,0]=4 4049 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [2,0,0,0,0,0|2,0,0]=4 4050 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [2,0,0,0,0,0|2,0,0]=4 4051 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [2,0,0,0,0,0|2,0,0]=4 4052 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [2,0,0,0,0,0|2,0,0]=4 4053 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [2,0,0,0,0,0|2,0,0]=4 4054 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [2,0,0,0,0,0|2,0,0]=4 4055 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [2,0,0,0,0,0|2,0,0]=4 4056 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [2,0,0,0,0,0|2,0,0]=4 4057 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [2,0,0,0,0,0|2,0,0]=4 4058 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [2,0,0,0,0,0|2,0,0]=4 4059 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [2,0,0,0,0,0|2,0,0]=4 4060 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [2,0,0,0,0,0|2,0,0]=4 4061 B10R0.44 CC(C)CC(C)NC(=O)CO 240690a_100000692259_100000210174 [1,1,0,0,0,0|2,0,0]=4 4062 B10R0.44 CC(C)CC(C)NC(=O)CO 527a_100000692259_100000210174 [1,1,0,0,0,0|2,0,0]=4 4063 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [1,1,0,0,0,0|1,0,1]=4 4064 B10R0.44 CCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747405 [1,1,0,0,0,0|2,0,0]=4 4065 B10R0.44 CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210414 [1,1,0,0,0,0|1,0,0]=3 4066 B10R0.44 CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210414 [1,1,0,0,0,0|1,0,0]=3 4067 B10R0.44 CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210414 [1,1,0,0,0,0|1,0,0]=3 4068 B10R0.44 CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210414 [1,1,0,0,0,0|1,0,0]=3 4069 B10R0.44 CCC(=O)NC(C)CN(C)C 11a_100016992788_100000210414 [1,1,0,0,0,0|2,0,0]=4 4070 B10R0.44 CCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210414 [1,1,0,0,0,0|2,0,0]=4 4071 B10R0.44 CCC(=O)NC(C)CN(C)C 527a_100016992788_100000210414 [1,1,0,0,0,0|2,0,0]=4 4072 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [1,1,0,0,0,0|1,0,1]=4 4073 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [1,1,0,0,0,0|1,0,1]=4 4074 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [1,1,0,0,0,0|1,0,1]=4 4075 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100000692259_106832991635 [1,1,0,0,0,0|2,0,0]=4 4076 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100102657272_100000692259 [1,1,0,0,0,0|2,0,0]=4 4077 B10R0.44 CNC(=O)NC(C)CC(C)C 273464a_100000692259_100102657272 [1,1,0,0,0,0|2,0,0]=4 4078 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_100000692259_100102657272 [1,1,0,0,0,0|2,0,0]=4 4079 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_106832991638_100000692259 [1,1,0,0,0,0|2,0,0]=4 4080 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [1,1,0,0,0,0|2,0,0]=4 4081 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [1,1,0,0,0,0|2,0,0]=4 4082 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [1,1,0,0,0,0|2,0,0]=4 4083 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [1,1,0,0,0,0|2,0,0]=4 4084 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [1,1,0,0,0,0|1,0,0]=3 4085 B10R0.57 CCC(=O)C(C)NCC(C)C 2230a_100000210953_100000742827 [1,1,0,0,0,0|2,0,0]=4 4086 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000210624_100000742827 [1,1,0,0,0,0|2,0,0]=4 4087 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000742827_100000210760 [1,1,0,0,0,0|2,0,0]=4 4088 B10R0.57 CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210414 [1,1,0,0,0,0|1,0,0]=3 4089 B10R0.57 CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210414 [1,1,0,0,0,0|1,0,0]=3 4090 B10R0.57 CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210414 [1,1,0,0,0,0|1,0,0]=3 4091 B10R0.57 CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210414 [1,1,0,0,0,0|1,0,0]=3 4092 B10R0.57 CCC(=O)N(C)CCN(C)C 240690a_100000225618_100000210414 [1,1,0,0,0,0|2,0,0]=4 4093 B10R0.57 CCC(=O)N(C)CCN(C)C 527a_100000225618_100000210414 [1,1,0,0,0,0|2,0,0]=4 4094 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [1,1,0,0,0,0|2,0,0]=4 4095 B10R0.57 CNC(=O)N(C)CCC(C)C 2708a_100102657272_100000742789 [1,1,0,0,0,0|2,0,0]=4 4096 B10R0.57 CNC(=O)N(C)CCC(C)C 273464a_100102657272_100000742789 [1,1,0,0,0,0|2,0,0]=4 4097 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [1,1,0,0,0,0|2,0,0]=4 4098 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [1,1,0,0,0,0|2,0,0]=4 4099 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [1,1,0,0,0,0|2,0,0]=4 4100 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [1,1,0,0,0,0|2,0,0]=4 4101 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [1,1,0,0,0,0|2,0,0]=4 4102 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [1,1,0,0,0,0|2,0,0]=4 4103 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [1,1,0,0,0,0|2,0,0]=4 4104 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [1,1,0,0,0,0|2,0,0]=4 4105 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [1,1,0,0,0,0|2,0,0]=4 4106 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [1,1,0,0,0,0|2,0,0]=4 4107 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [1,1,0,0,0,0|2,0,0]=4 4108 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [1,1,0,0,0,0|2,0,0]=4 4109 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [1,1,0,0,0,0|2,0,0]=4 4110 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 4111 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 4112 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 4113 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 4114 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [1,1,0,0,0,0|1,0,0]=3 4115 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [1,1,0,0,0,0|1,0,0]=3 4116 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 4117 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 4118 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [1,1,0,0,0,0|2,0,0]=4 4119 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 4120 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 4121 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 4122 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 4123 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [1,1,0,0,0,0|2,0,0]=4 4124 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [1,1,0,0,0,0|1,0,1]=4 4125 B10R0.59 CCC(C)OCCC(C)OC 7a_100000764861_100000758301 [1,1,0,0,0,0|1,0,1]=4 4126 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [1,1,0,0,0,0|2,0,0]=4 4127 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [1,1,0,0,0,0|2,0,0]=4 4128 B10R0.59 CNC(=O)NCCC(C)CO 2708a_100102657272_106354213184 [1,1,0,0,0,0|2,0,0]=4 4129 B10R0.59 CNC(=O)NCCC(C)CO 273464a_100102657272_106354213184 [1,1,0,0,0,0|2,0,0]=4 4130 B10R0.59 CNC(=O)NCCC(C)CO 273464a_106354213184_100102657272 [1,1,0,0,0,0|2,0,0]=4 4131 B10R0.59 CNC(=O)NCCC(C)CO 512a_106354213184_100102657272 [1,1,0,0,0,0|2,0,0]=4 4132 B10R0.59 CNC(=O)NCCC(C)CO 512a_106832991638_106354213184 [1,1,0,0,0,0|2,0,0]=4 4133 B10R0.59 COC(=O)OCSC(C)CO 62a_100012180447_100000139417 [1,1,0,0,0,0|2,0,0]=4 4134 B10R0.59 COC(=O)OCSC(C)OC 62a_100009879195_100000139417 [1,1,0,0,0,0|2,0,0]=4 4135 B10R0.59 COC(=O)OCS[C@H](C)CO 62a_100016084084_100000139417 [1,1,0,0,0,0|2,0,0]=4 4136 B10R0.60 CC(C)(C)CCNC(=O)CO 240690a_100000738805_100000210174 [1,1,0,0,0,0|2,0,0]=4 4137 B10R0.60 CC(C)(C)CCNC(=O)CO 527a_100000738805_100000210174 [1,1,0,0,0,0|2,0,0]=4 4138 B10R0.60 CC(C)(F)CCNC(=O)CO 240690a_100016253952_100000210174 [1,1,0,0,0,0|2,0,0]=4 4139 B10R0.60 CC(C)(F)CCNC(=O)CO 527a_100016253952_100000210174 [1,1,0,0,0,0|2,0,0]=4 4140 B10R0.60 CC(C)(O)CCNC(=O)CO 527a_100000707701_100000210174 [1,1,0,0,0,0|2,0,0]=4 4141 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210202 [1,1,0,0,0,0|2,0,0]=4 4142 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000210414_100016990835 [1,1,0,0,0,0|2,0,0]=4 4143 B10R0.60 CCC(=O)CCC[Si](C)(C)C 1458a_100000210414_100011219597 [1,1,0,0,0,0|1,1,0]=4 4144 B10R0.60 CCC(=O)COCC(C)(C)C 34a_100000725409_100011219605 [1,1,0,0,0,0|2,0,0]=4 4145 B10R0.60 CCC(=O)COCC(C)(C)F 34a_100000725409_100011997219 [1,1,0,0,0,0|2,0,0]=4 4146 B10R0.60 CCC(=O)COCC(C)(C)O 34a_100000725409_100000764493 [1,1,0,0,0,0|2,0,0]=4 4147 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100000747405_100011219605 [1,1,0,0,0,0|2,0,0]=4 4148 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100011219605_100000747405 [1,1,0,0,0,0|2,0,0]=4 4149 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100000747405_100011997219 [1,1,0,0,0,0|2,0,0]=4 4150 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100011997219_100000747405 [1,1,0,0,0,0|2,0,0]=4 4151 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000747405_100000764493 [1,1,0,0,0,0|2,0,0]=4 4152 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000764493_100000747405 [1,1,0,0,0,0|2,0,0]=4 4153 B10R0.60 CCC(=O)NCCC(C)(C)C 11a_100000738805_100000210414 [1,1,0,0,0,0|1,0,0]=3 4154 B10R0.60 CCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210414 [1,1,0,0,0,0|1,0,0]=3 4155 B10R0.60 CCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210414 [1,1,0,0,0,0|1,0,0]=3 4156 B10R0.60 CCC(=O)NCCC(C)(C)C 527a_100000738805_100000210414 [1,1,0,0,0,0|1,0,0]=3 4157 B10R0.60 CCC(=O)NCCC(C)(C)F 11a_100016253952_100000210414 [1,1,0,0,0,0|1,0,0]=3 4158 B10R0.60 CCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210414 [1,1,0,0,0,0|1,0,0]=3 4159 B10R0.60 CCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210414 [1,1,0,0,0,0|1,0,0]=3 4160 B10R0.60 CCC(=O)NCCC(C)(C)F 527a_100016253952_100000210414 [1,1,0,0,0,0|1,0,0]=3 4161 B10R0.60 CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210414 [1,1,0,0,0,0|1,0,0]=3 4162 B10R0.60 CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210414 [1,1,0,0,0,0|1,0,0]=3 4163 B10R0.60 CCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210414 [1,1,0,0,0,0|2,0,0]=4 4164 B10R0.60 CCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210414 [1,1,0,0,0,0|2,0,0]=4 4165 B10R0.60 CCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000210414 [1,1,0,0,0,0|2,0,0]=4 4166 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000210228_100000755188 [1,1,0,0,0,0|1,0,1]=4 4167 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000765024_100000758301 [1,1,0,0,0,0|1,0,1]=4 4168 B10R0.60 CCC(C)OCCC(C)(C)O 7a_100000210228_100000702414 [1,1,0,0,0,0|1,0,1]=4 4169 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100000738805_106832991635 [1,1,0,0,0,0|2,0,0]=4 4170 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100102657272_100000738805 [1,1,0,0,0,0|2,0,0]=4 4171 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100000738805_100102657272 [1,1,0,0,0,0|2,0,0]=4 4172 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100102657272_100000738805 [1,1,0,0,0,0|2,0,0]=4 4173 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_100000738805_100102657272 [1,1,0,0,0,0|2,0,0]=4 4174 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_106832991638_100000738805 [1,1,0,0,0,0|2,0,0]=4 4175 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100016253952_106832991635 [1,1,0,0,0,0|2,0,0]=4 4176 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100102657272_100016253952 [1,1,0,0,0,0|2,0,0]=4 4177 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100016253952_100102657272 [1,1,0,0,0,0|2,0,0]=4 4178 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100102657272_100016253952 [1,1,0,0,0,0|2,0,0]=4 4179 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_100016253952_100102657272 [1,1,0,0,0,0|2,0,0]=4 4180 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_106832991638_100016253952 [1,1,0,0,0,0|2,0,0]=4 4181 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100000707701_106832991635 [1,1,0,0,0,0|2,0,0]=4 4182 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100102657272_100000707701 [1,1,0,0,0,0|2,0,0]=4 4183 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100000707701_100102657272 [1,1,0,0,0,0|2,0,0]=4 4184 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100102657272_100000707701 [1,1,0,0,0,0|2,0,0]=4 4185 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_100000707701_100102657272 [1,1,0,0,0,0|2,0,0]=4 4186 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_106832991638_100000707701 [1,1,0,0,0,0|2,0,0]=4 4187 B10R0.60 COC(=O)OCSC(C)(C)C 62a_100000211941_100000139417 [1,1,0,0,0,0|2,0,0]=4 4188 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210230_100000210626 [1,1,0,0,0,0|1,0,1]=4 4189 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210254_100000210677 [1,1,0,0,0,0|1,0,1]=4 4190 B10R0.65 CCS(=O)(=O)NCCC(C)C 270084a_100000210545_100000211323 [1,1,0,0,0,0|2,0,0]=4 4191 B10R0.65 CCS(=O)(=O)NCCC(C)C 274078a_100000210545_100000211323 [1,1,0,0,0,0|2,0,0]=4 4192 B10R0.65 CCS(=O)(=O)NCCC(C)C 40a_100000210545_100000053943 [1,1,0,0,0,0|2,0,0]=4 4193 B10R0.77 C#CC(CC)OCCC(C)C 34a_100000758843_100000210312 [1,1,0,0,0,0|1,0,1]=4 4194 B10R0.77 C#CC(CC)OCCC(C)C 7a_100000758843_100000210626 [1,1,0,0,0,0|1,0,1]=4 4195 B10R0.77 C=CC(CC)OCCC(C)C 34a_100000766422_100000210312 [1,1,0,0,0,0|1,0,1]=4 4196 B10R0.77 C=CC(CC)OCCC(C)C 7a_100000766422_100000210626 [1,1,0,0,0,0|1,0,1]=4 4197 B10R0.77 CCC(CC)OCCC(C)C 7a_100000210254_100000210505 [1,1,0,0,0,0|1,0,1]=4 4198 B10R0.77 CCC(CC)OCCC(C)C 7a_100000688536_100000210626 [1,1,0,0,0,0|1,0,1]=4 4199 B10R0.82 CC(C)C(O)CNC(=O)CO 240690a_100000759067_100000210174 [1,1,0,0,0,0|2,0,0]=4 4200 B10R0.82 CC(C)C(O)CNC(=O)CO 527a_100000759067_100000210174 [1,1,0,0,0,0|2,0,0]=4 4201 B10R0.82 CCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210202 [1,1,0,0,0,0|2,0,0]=4 4202 B10R0.82 CCC(=O)COC(C)C(C)C 7a_100000748068_100000747405 [1,1,0,0,0,0|2,0,0]=4 4203 B10R0.82 CCC(=O)NCC(=O)C(C)C 1458a_100000194589_100000210206 [1,1,0,0,0,0|1,0,1]=4 4204 B10R0.82 CCC(=O)NCC(O)C(C)C 11a_100000759067_100000210414 [1,1,0,0,0,0|1,0,0]=3 4205 B10R0.82 CCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210414 [1,1,0,0,0,0|1,0,0]=3 4206 B10R0.82 CCC(=O)NCC(O)C(C)C 527a_100000759067_100000210414 [1,1,0,0,0,0|1,0,0]=3 4207 B10R0.82 CCC(C)OC[C@H](N)C(C)C 34a_100011830312_100011215416 [1,1,0,0,0,0|1,0,1]=4 4208 B10R0.82 CNC(=O)NCC(O)C(C)C 2708a_100102657272_100000759067 [1,1,0,0,0,0|2,0,0]=4 4209 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100000759067_100102657272 [1,1,0,0,0,0|2,0,0]=4 4210 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100102657272_100000759067 [1,1,0,0,0,0|2,0,0]=4 4211 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_100000759067_100102657272 [1,1,0,0,0,0|2,0,0]=4 4212 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_106832991638_100000759067 [1,1,0,0,0,0|2,0,0]=4 4213 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [1,1,0,0,0,0|1,0,1]=4 4214 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [1,1,0,0,0,0|1,0,1]=4 4215 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [1,1,0,0,0,0|1,0,1]=4 4216 B10R0.98 C=C(C)C(=O)OCCN(C)C 2230a_100102631434_100009816335 [1,1,0,0,0,0|1,0,1]=4 4217 B10R0.98 C=C(C)C(=O)OCCN(C)C 269982a_100102631434_100009816335 [1,1,0,0,0,0|1,0,1]=4 4218 B10R0.98 CC(C)C(=O)CCCN(C)C 1458a_100000210198_100000695564 [1,1,0,0,0,0|2,0,0]=4 4219 B10R0.98 CC(C)C(=O)NCCN(C)C 240690a_100000210585_100000210198 [1,1,0,0,0,0|2,0,0]=4 4220 B10R0.98 CC(C)C(=O)NCCN(C)C 527a_100000210585_100000210198 [1,1,0,0,0,0|2,0,0]=4 4221 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [1,1,0,0,0,0|1,0,0]=3 4222 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [1,1,0,0,0,0|1,0,0]=3 4223 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [1,1,0,0,0,0|1,0,0]=3 4224 B10R0.98 CC(C)CCCC(=O)C(O)O 1458a_100000233687_100011214892 [1,1,0,0,0,0|2,0,0]=4 4225 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [1,1,0,0,0,0|2,0,0]=4 4226 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [1,1,0,0,0,0|2,0,0]=4 4227 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [1,1,0,0,0,0|2,0,0]=4 4228 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [1,1,0,0,0,0|2,0,0]=4 4229 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [1,1,0,0,0,0|1,0,0]=3 4230 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [1,1,0,0,0,0|1,0,0]=3 4231 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [1,1,0,0,0,0|1,0,0]=3 4232 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [1,1,0,0,0,0|1,0,0]=3 4233 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [1,1,0,0,0,0|1,0,0]=3 4234 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [1,1,0,0,0,0|1,0,0]=3 4235 B10R0.98 CC(C)CCNC(=O)C(C)F 11a_100000210545_100000062450 [1,1,0,0,0,0|1,0,0]=3 4236 B10R0.98 CC(C)CCNC(=O)C(C)F 1626a_100000210545_100000062450 [1,1,0,0,0,0|1,0,0]=3 4237 B10R0.98 CC(C)CCNC(=O)C(C)F 240690a_100000210545_100000062450 [1,1,0,0,0,0|1,0,0]=3 4238 B10R0.98 CC(C)CCNC(=O)C(C)F 527a_100000210545_100000062450 [1,1,0,0,0,0|1,0,0]=3 4239 B10R0.98 CC(C)CCNC(=O)C(F)F 11a_100000210545_100000210393 [1,1,0,0,0,0|2,0,0]=4 4240 B10R0.98 CC(C)CCNC(=O)C(F)F 1626a_100000210545_100000210393 [1,1,0,0,0,0|2,0,0]=4 4241 B10R0.98 CC(C)CCNC(=O)C(F)F 240690a_100000210545_100000210393 [1,1,0,0,0,0|2,0,0]=4 4242 B10R0.98 CC(C)CCNC(=O)C(F)F 527a_100000210545_100000210393 [1,1,0,0,0,0|2,0,0]=4 4243 B10R0.98 CC(C)CCNC(=O)C(O)O 240690a_100000210545_100000233687 [1,1,0,0,0,0|2,0,0]=4 4244 B10R0.98 CC(C)CCNC(=O)N(C)C 2708a_100000210545_100102631434 [1,1,0,0,0,0|2,0,0]=4 4245 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [1,1,0,0,0,0|1,0,0]=3 4246 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [1,1,0,0,0,0|1,0,0]=3 4247 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [1,1,0,0,0,0|1,0,0]=3 4248 B10R0.98 CC(C)CCOC(C)C(C)C 7a_100000748068_100000210626 [1,1,0,0,0,0|1,0,1]=4 4249 B10R0.98 CC(C)CNCC(=O)C(C)C 2230a_100000210953_100000753385 [1,1,0,0,0,0|2,0,0]=4 4250 B10R0.98 CC(C)CNCC(=O)C(C)C 34a_100000210953_100000753385 [1,1,0,0,0,0|2,0,0]=4 4251 B10R0.98 CC(C)CNNC(=O)C(C)C 22a_100000696102_100000210198 [1,1,0,0,0,0|2,0,0]=4 4252 B10R0.98 CC(C)CNNC(=O)C(C)F 22a_100000696102_100000062450 [1,1,0,0,0,0|2,0,0]=4 4253 B10R0.98 CC(C)CNNC(=O)[C@@H](C)O 22a_100000696102_100000717761 [1,1,0,0,0,0|2,0,0]=4 4254 B10R0.98 CC(C)CNNC(=O)[C@H](C)O 22a_100000696102_217856618621 [1,1,0,0,0,0|2,0,0]=4 4255 B10R0.98 CC(C)COCC(=O)C(C)C 1458a_100011223364_100000210206 [1,1,0,0,0,0|2,0,0]=4 4256 B10R0.98 CC(C)COCC(=O)C(C)C 34a_100000210257_100000753385 [1,1,0,0,0,0|2,0,0]=4 4257 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000210624_100000753385 [1,1,0,0,0,0|2,0,0]=4 4258 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000753385_100000210760 [1,1,0,0,0,0|2,0,0]=4 4259 B10R0.98 CC(C)OCCC(=O)C(C)C 1458a_100000210198_100000211751 [1,1,0,0,0,0|2,0,0]=4 4260 B10R0.98 CC(C)OCCC(=O)C(C)F 1458a_100000062450_100000211751 [1,1,0,0,0,0|2,0,0]=4 4261 B10R0.98 CC(C)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000211751 [1,1,0,0,0,0|2,0,0]=4 4262 B10R0.98 CC(C)OCCC(=O)[C@H](C)O 1458a_217856618621_100000211751 [1,1,0,0,0,0|2,0,0]=4 4263 B10R0.98 CC(C)SCCC(=O)C(C)C 1458a_100000210198_100000730970 [1,1,0,0,0,0|2,0,0]=4 4264 B10R0.98 CC(C)SCCC(=O)C(C)F 1458a_100000062450_100000730970 [1,1,0,0,0,0|2,0,0]=4 4265 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [1,1,0,0,0,0|2,0,0]=4 4266 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [1,1,0,0,0,0|2,0,0]=4 4267 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000139345_100000210206 [1,1,0,0,0,0|1,0,0]=3 4268 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000210206_100000139345 [1,1,0,0,0,0|1,0,0]=3 4269 B10R0.98 CC(F)C(=O)CCCN(C)C 1458a_100000062450_100000695564 [1,1,0,0,0,0|2,0,0]=4 4270 B10R0.98 CC(F)C(=O)NCCN(C)C 240690a_100000210585_100000062450 [1,1,0,0,0,0|2,0,0]=4 4271 B10R0.98 CC(F)C(=O)NCCN(C)C 527a_100000210585_100000062450 [1,1,0,0,0,0|2,0,0]=4 4272 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [1,1,0,0,0,0|2,0,0]=4 4273 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [1,1,0,0,0,0|2,0,0]=4 4274 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [1,1,0,0,0,0|2,0,0]=4 4275 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [1,1,0,0,0,0|2,0,0]=4 4276 B10R0.98 CC(O)CCNC(=O)C(C)C 240690a_200000755665_100000210198 [1,1,0,0,0,0|2,0,0]=4 4277 B10R0.98 CC(O)CCNC(=O)C(C)C 527a_200000755665_100000210198 [1,1,0,0,0,0|2,0,0]=4 4278 B10R0.98 CC(O)CCNC(=O)C(C)F 240690a_200000755665_100000062450 [1,1,0,0,0,0|2,0,0]=4 4279 B10R0.98 CC(O)CCNC(=O)C(C)F 527a_200000755665_100000062450 [1,1,0,0,0,0|2,0,0]=4 4280 B10R0.98 CC(O)CCNC(=O)[C@@H](C)O 240690a_200000755665_100000717761 [1,1,0,0,0,0|2,0,0]=4 4281 B10R0.98 CC(O)CCNC(=O)[C@H](C)O 240690a_200000755665_217856618621 [1,1,0,0,0,0|2,0,0]=4 4282 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [1,1,0,0,0,0|2,0,0]=4 4283 B10R0.98 C[C@@H](O)C(=O)NCCN(C)C 240690a_100000210585_100000717761 [1,1,0,0,0,0|2,0,0]=4 4284 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [1,1,0,0,0,0|2,0,0]=4 4285 B10R0.98 C[C@H](O)C(=O)NCCN(C)C 240690a_100000210585_217856618621 [1,1,0,0,0,0|2,0,0]=4 4286 B10R0.4 C#CCCCOCCC(C)C 34a_100000210254_100000695029 [1,1,0,0,0,0|0,0,2]=4 4287 B10R0.4 C#CCCCOCCC(C)C 34a_100000215630_100000210312 [1,1,0,0,0,0|0,0,2]=4 4288 B10R0.4 C#CCCCOCCC(C)C 7a_100000210254_100011215417 [1,1,0,0,0,0|0,0,2]=4 4289 B10R0.4 C#CCCCOCCC(C)C 7a_100000215630_100000210626 [1,1,0,0,0,0|0,0,2]=4 4290 B10R0.4 C/C=C/CCOCCC(C)C 34a_100016278192_100000210312 [1,1,0,0,0,0|0,0,2]=4 4291 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [1,1,0,0,0,0|0,0,2]=4 4292 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [1,1,0,0,0,0|0,0,2]=4 4293 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [1,1,0,0,0,0|0,0,2]=4 4294 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [1,1,0,0,0,0|0,0,2]=4 4295 B10R0.4 CC#CCCOCCC(C)C 34a_100000750427_100000210312 [1,1,0,0,0,0|0,0,2]=4 4296 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [1,1,0,0,0,0|1,0,1]=4 4297 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [1,1,0,0,0,0|1,0,1]=4 4298 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 4299 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 4300 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [1,1,0,0,0,0|2,0,0]=4 4301 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [1,1,0,0,0,0|2,0,0]=4 4302 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [1,1,0,0,0,0|2,0,0]=4 4303 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [1,1,0,0,0,0|2,0,0]=4 4304 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [1,1,0,0,0,0|2,0,0]=4 4305 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [1,1,0,0,0,0|2,0,0]=4 4306 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [1,1,0,0,0,0|1,0,1]=4 4307 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [1,1,0,0,0,0|1,0,1]=4 4308 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [1,1,0,0,0,0|1,0,1]=4 4309 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [1,1,0,0,0,0|1,0,1]=4 4310 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [1,1,0,0,0,0|1,0,1]=4 4311 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [1,1,0,0,0,0|1,0,1]=4 4312 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [1,1,0,0,0,0|1,0,1]=4 4313 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [1,1,0,0,0,0|1,0,1]=4 4314 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [1,1,0,0,0,0|2,0,0]=4 4315 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [1,1,0,0,0,0|2,0,0]=4 4316 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [1,1,0,0,0,0|2,0,0]=4 4317 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [1,1,0,0,0,0|2,0,0]=4 4318 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [1,1,0,0,0,0|1,0,1]=4 4319 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [1,1,0,0,0,0|1,0,1]=4 4320 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [1,1,0,0,0,0|1,0,1]=4 4321 B10R0.4 CC(C)CCOCCCC#N 7a_100000210254_100000687738 [1,1,0,0,0,0|0,0,2]=4 4322 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [1,1,0,0,0,0|0,0,2]=4 4323 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [1,1,0,0,0,0|0,0,1]=3 4324 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [1,1,0,0,0,0|0,0,1]=3 4325 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [1,1,0,0,0,0|0,0,1]=3 4326 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [1,1,0,0,0,0|0,0,1]=3 4327 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [1,1,0,0,0,0|0,0,1]=3 4328 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [1,1,0,0,0,0|0,0,1]=3 4329 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [1,1,0,0,0,0|0,0,1]=3 4330 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [1,1,0,0,0,0|0,0,1]=3 4331 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [1,1,0,0,0,0|0,0,1]=3 4332 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [1,1,0,0,0,0|0,0,1]=3 4333 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [1,1,0,0,0,0|0,0,1]=3 4334 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [1,1,0,0,0,0|0,1,1]=4 4335 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [1,1,0,0,0,0|0,1,1]=4 4336 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [1,1,0,0,0,0|0,1,1]=4 4337 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [1,1,0,0,0,0|0,1,1]=4 4338 B10R0.4 CC(C)NCCOCCCF 34a_100000224655_100011934791 [1,1,0,0,0,0|1,0,1]=4 4339 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [1,1,0,0,0,0|1,0,1]=4 4340 B10R0.4 CC(C)OCCOCCCBr 34a_100011217188_100000211751 [1,1,0,0,0,0|1,0,1]=4 4341 B10R0.4 CC(C)OCCOCCCCl 34a_100000230001_100000211751 [1,1,0,0,0,0|1,0,1]=4 4342 B10R0.4 CC(C)OCCOCCCF 34a_100000211219_100011934791 [1,1,0,0,0,0|1,0,1]=4 4343 B10R0.4 CC(C)OCCOCCCF 34a_100000759539_100000211751 [1,1,0,0,0,0|1,0,1]=4 4344 B10R0.4 CC(C)OCCOCCCF 7a_100000211219_100011934791 [1,1,0,0,0,0|1,0,1]=4 4345 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [1,1,0,0,0,0|1,0,1]=4 4346 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [1,1,0,0,0,0|1,0,1]=4 4347 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [1,1,0,0,0,0|1,0,1]=4 4348 B10R0.4 CC(C)OCOCCCCBr 34a_100011216708_100000709892 [1,1,0,0,0,0|1,0,1]=4 4349 B10R0.4 CC(C)OCOCCCCCl 34a_100000210776_100000709892 [1,1,0,0,0,0|1,0,1]=4 4350 B10R0.4 CC(C)OCOCCCCF 34a_100011995726_100000709892 [1,1,0,0,0,0|1,0,1]=4 4351 B10R0.4 CC(C)OCOCCCCI 34a_200012148704_100000709892 [1,1,0,0,0,0|1,0,1]=4 4352 B10R0.4 CC(C)OCOCCCCN 34a_100000750430_100000709892 [1,1,0,0,0,0|1,0,1]=4 4353 B10R0.4 CC(C)SCCOCCCBr 34a_100011217188_100000730970 [1,1,0,0,0,0|1,0,1]=4 4354 B10R0.4 CC(C)SCCOCCCCl 34a_100000230001_100000730970 [1,1,0,0,0,0|1,0,1]=4 4355 B10R0.4 CC(C)SCCOCCCF 34a_100000759539_100000730970 [1,1,0,0,0,0|1,0,1]=4 4356 B10R0.4 CC(C)SCCOCCCF 34a_200011212901_100011934791 [1,1,0,0,0,0|1,0,1]=4 4357 B10R0.4 CC(C)SCCOCCCF 7a_200011212901_100011934791 [1,1,0,0,0,0|1,0,1]=4 4358 B10R0.4 CC(C)SCCOCCCN 34a_100000182051_100000730970 [1,1,0,0,0,0|1,0,1]=4 4359 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [1,1,0,0,0,0|1,0,1]=4 4360 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [1,1,0,0,0,0|1,0,1]=4 4361 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [1,1,0,0,0,0|1,0,1]=4 4362 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [1,1,0,0,0,0|1,0,1]=4 4363 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [1,1,0,0,0,0|1,0,1]=4 4364 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [1,1,0,0,0,0|1,0,1]=4 4365 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [1,1,0,0,0,0|1,0,1]=4 4366 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [1,1,0,0,0,0|1,0,1]=4 4367 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [1,1,0,0,0,0|1,0,1]=4 4368 B10R0.4 CC/C=C/CCCOC(C)C 34a_100016287902_100000210206 [1,1,0,0,0,0|1,0,1]=4 4369 B10R0.4 CC/C=C/CCCOC(C)C 7a_100016287902_100000210206 [1,1,0,0,0,0|1,0,1]=4 4370 B10R0.4 CC/C=C\CCNCC(C)C 2230a_100000210953_100015370543 [1,1,0,0,0,0|1,0,1]=4 4371 B10R0.4 CC/C=C\CCNCC(C)C 34a_100000210953_100015370543 [1,1,0,0,0,0|1,0,1]=4 4372 B10R0.4 CC/C=C\CCOCC(C)C 34a_100000210257_100015370543 [1,1,0,0,0,0|1,0,1]=4 4373 B10R0.4 CC/C=C\CCOCC(C)C 34a_100016288707_100000210624 [1,1,0,0,0,0|1,0,1]=4 4374 B10R0.4 CC/C=C\CCOCC(C)C 7a_100016288707_100000210760 [1,1,0,0,0,0|1,0,1]=4 4375 B10R0.4 CC/C=C\CCSCC(C)C 62a_100000210624_100015370543 [1,1,0,0,0,0|1,0,1]=4 4376 B10R0.4 CC/C=C\CCSCC(C)C 62a_100015370543_100000210760 [1,1,0,0,0,0|1,0,1]=4 4377 B10R0.4 CC/C=C\COCCC(C)Br 34a_100009893172_100103147603 [1,1,0,0,0,0|1,0,1]=4 4378 B10R0.4 CC/C=C\COCCC(C)C 34a_100000210254_100103147603 [1,1,0,0,0,0|0,0,1]=3 4379 B10R0.4 CC/C=C\COCCC(C)C 34a_100016268518_100000210312 [1,1,0,0,0,0|0,0,1]=3 4380 B10R0.4 CC/C=C\COCCC(C)C 7a_100000210254_100103147603 [1,1,0,0,0,0|0,0,1]=3 4381 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [1,1,0,0,0,0|1,0,1]=4 4382 B10R0.4 CC/C=C\COCC[C@@H](C)N 34a_100000706166_100103147603 [1,1,0,0,0,0|1,0,1]=4 4383 B10R0.4 CC/C=C\COCOC(C)C 34a_100016268518_100000709892 [1,1,0,0,0,0|1,0,1]=4 4384 B10R0.4 CC/C=C\CSCCC(C)C 62a_100000210312_100103147603 [1,1,0,0,0,0|0,1,1]=4 4385 B10R0.4 CC/C=C\CSCCC(C)C 62a_100103147603_100000210312 [1,1,0,0,0,0|0,1,1]=4 4386 B10R0.4 CCC#CCOCCC(C)C 34a_100000032950_100000210312 [1,1,0,0,0,0|0,0,2]=4 4387 B10R0.4 CCC#CCOCCC(C)C 34a_100000210254_100009813939 [1,1,0,0,0,0|0,0,2]=4 4388 B10R0.4 CCC#CCOCCC(C)C 7a_100000210254_100009813939 [1,1,0,0,0,0|0,0,2]=4 4389 B10R0.4 CCC/C=C/COCC(C)C 34a_100016278788_100000210624 [1,1,0,0,0,0|1,0,0]=3 4390 B10R0.4 CCC/C=C/COCC(C)C 7a_100016278788_100000210760 [1,1,0,0,0,0|1,0,0]=3 4391 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [1,1,0,0,0,0|2,0,0]=4 4392 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [1,1,0,0,0,0|2,0,0]=4 4393 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [1,1,0,0,0,0|2,0,0]=4 4394 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [1,1,0,0,0,0|2,0,0]=4 4395 B10R0.4 CCCC#CCCOC(C)C 34a_100000042726_100000210206 [1,1,0,0,0,0|1,0,1]=4 4396 B10R0.4 CCCC#CCCOC(C)C 7a_100000042726_100000210206 [1,1,0,0,0,0|1,0,1]=4 4397 B10R0.4 CCCC#CCOCC(C)C 34a_100000034806_100000210624 [1,1,0,0,0,0|1,0,1]=4 4398 B10R0.4 CCCC#CCOCC(C)C 7a_100000034806_100000210760 [1,1,0,0,0,0|1,0,1]=4 4399 B10R0.4 CCCC/C=C/COC(C)C 34a_200016272032_100000210206 [1,1,0,0,0,0|2,0,0]=4 4400 B10R0.4 CCCC/C=C/COC(C)C 7a_200016272032_100000210206 [1,1,0,0,0,0|2,0,0]=4 4401 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,1,0,0,0,0|1,0,1]=4 4402 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,1,0,0,0,0|1,0,1]=4 4403 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,1,0,0,0,0|1,0,1]=4 4404 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 4405 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,1,0,0,0,0|1,0,1]=4 4406 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 4407 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,1,0,0,0,0|1,0,1]=4 4408 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,1,0,0,0,0|1,0,1]=4 4409 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|1,0,1]=4 4410 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 4411 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|1,0,1]=4 4412 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 4413 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|1,0,1]=4 4414 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|1,0,1]=4 4415 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|1,0,1]=4 4416 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|1,0,1]=4 4417 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|1,0,1]=4 4418 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,1,0,0,0,0|1,0,1]=4 4419 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,1,0,0,0,0|1,0,1]=4 4420 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,1,0,0,0,0|1,0,1]=4 4421 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,1,0,0,0,0|0,0,1]=3 4422 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,1,0,0,0,0|0,0,1]=3 4423 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,1,0,0,0,0|0,0,1]=3 4424 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,1,0,0,0,0|0,0,1]=3 4425 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|1,0,1]=4 4426 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|1,0,1]=4 4427 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [1,1,0,0,0,0|1,0,1]=4 4428 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,1]=4 4429 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [1,1,0,0,0,0|1,0,1]=4 4430 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,1,0,0,0,0|0,1,1]=4 4431 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,1,0,0,0,0|0,1,1]=4 4432 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,1,0,0,0,0|1,0,1]=4 4433 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,1,0,0,0,0|1,0,1]=4 4434 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,1,0,0,0,0|1,0,1]=4 4435 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,1,0,0,0,0|1,0,1]=4 4436 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [1,1,0,0,0,0|1,0,1]=4 4437 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [1,1,0,0,0,0|1,0,1]=4 4438 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [1,1,0,0,0,0|1,0,1]=4 4439 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [1,1,0,0,0,0|1,0,1]=4 4440 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [1,1,0,0,0,0|1,0,1]=4 4441 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [1,1,0,0,0,0|1,0,1]=4 4442 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [1,1,0,0,0,0|1,0,1]=4 4443 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [1,1,0,0,0,0|1,0,1]=4 4444 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,1,0,0,0,0|0,0,2]=4 4445 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,1,0,0,0,0|0,0,2]=4 4446 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,1,0,0,0,0|0,0,1]=3 4447 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,1,0,0,0,0|0,0,1]=3 4448 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,1,0,0,0,0|0,0,1]=3 4449 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,1,0,0,0,0|0,0,1]=3 4450 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|1,0,1]=4 4451 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|1,0,1]=4 4452 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,1,0,0,0,0|1,0,1]=4 4453 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [1,1,0,0,0,0|0,0,1]=3 4454 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [1,1,0,0,0,0|0,0,1]=3 4455 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [1,1,0,0,0,0|0,0,1]=3 4456 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [1,1,0,0,0,0|0,0,1]=3 4457 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [1,1,0,0,0,0|0,0,1]=3 4458 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [1,1,0,0,0,0|0,0,1]=3 4459 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [1,1,0,0,0,0|0,0,1]=3 4460 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [1,1,0,0,0,0|0,0,1]=3 4461 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [1,1,0,0,0,0|0,0,1]=3 4462 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [1,1,0,0,0,0|0,0,1]=3 4463 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [1,1,0,0,0,0|0,0,1]=3 4464 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [1,1,0,0,0,0|0,0,1]=3 4465 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [1,1,0,0,0,0|0,0,1]=3 4466 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [1,1,0,0,0,0|0,0,1]=3 4467 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [1,1,0,0,0,0|0,0,1]=3 4468 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [1,1,0,0,0,0|0,0,1]=3 4469 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [1,1,0,0,0,0|0,0,1]=3 4470 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [1,1,0,0,0,0|0,0,1]=3 4471 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [1,1,0,0,0,0|1,0,1]=4 4472 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [1,1,0,0,0,0|1,0,1]=4 4473 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [1,1,0,0,0,0|1,0,1]=4 4474 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [1,1,0,0,0,0|0,0,1]=3 4475 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [1,1,0,0,0,0|1,0,1]=4 4476 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [1,1,0,0,0,0|1,0,1]=4 4477 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [1,1,0,0,0,0|1,0,1]=4 4478 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [1,1,0,0,0,0|0,0,1]=3 4479 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [1,1,0,0,0,0|0,0,1]=3 4480 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [1,1,0,0,0,0|1,0,1]=4 4481 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [1,1,0,0,0,0|1,0,1]=4 4482 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [1,1,0,0,0,0|1,0,1]=4 4483 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [1,1,0,0,0,0|1,0,1]=4 4484 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,1,0,0,0,0|0,1,1]=4 4485 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,1,0,0,0,0|0,1,1]=4 4486 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [1,1,0,0,0,0|0,1,1]=4 4487 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [1,1,0,0,0,0|0,1,1]=4 4488 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [1,1,0,0,0,0|0,1,1]=4 4489 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [1,1,0,0,0,0|0,1,1]=4 4490 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [1,1,0,0,0,0|0,1,1]=4 4491 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [1,1,0,0,0,0|0,1,1]=4 4492 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [1,1,0,0,0,0|0,1,1]=4 4493 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [1,1,0,0,0,0|2,0,0]=4 4494 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [1,1,0,0,0,0|2,0,0]=4 4495 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|1,0,1]=4 4496 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 4497 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 4498 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [1,1,0,0,0,0|2,0,0]=4 4499 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [1,1,0,0,0,0|2,0,0]=4 4500 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [1,1,0,0,0,0|2,0,0]=4 4501 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [1,1,0,0,0,0|2,0,0]=4 4502 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [1,1,0,0,0,0|2,0,0]=4 4503 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [1,1,0,0,0,0|2,0,0]=4 4504 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [1,1,0,0,0,0|2,0,0]=4 4505 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [1,1,0,0,0,0|2,0,0]=4 4506 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [1,1,0,0,0,0|2,0,0]=4 4507 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [1,1,0,0,0,0|2,0,0]=4 4508 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [1,1,0,0,0,0|2,0,0]=4 4509 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [1,1,0,0,0,0|2,0,0]=4 4510 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [1,1,0,0,0,0|2,0,0]=4 4511 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [1,1,0,0,0,0|2,0,0]=4 4512 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [1,1,0,0,0,0|2,0,0]=4 4513 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [1,1,0,0,0,0|2,0,0]=4 4514 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [1,1,0,0,0,0|2,0,0]=4 4515 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [1,1,0,0,0,0|2,0,0]=4 4516 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|1,0,1]=4 4517 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|1,0,1]=4 4518 B10R0.4 CCCSCCNCC(C)C 2230a_100020603323_100000210760 [1,1,0,0,0,0|2,0,0]=4 4519 B10R0.4 CCCSCCNCC(C)C 270004a_100020603323_100000210432 [1,1,0,0,0,0|2,0,0]=4 4520 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [1,1,0,0,0,0|2,0,0]=4 4521 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [1,1,0,0,0,0|2,0,0]=4 4522 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 4523 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,1,0,0,0,0|1,0,1]=4 4524 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 4525 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 4526 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,1,0,0,0,0|1,0,1]=4 4527 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 4528 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [1,1,0,0,0,0|1,0,1]=4 4529 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [1,1,0,0,0,0|1,0,1]=4 4530 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [1,1,0,0,0,0|1,0,1]=4 4531 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [1,1,0,0,0,0|1,0,1]=4 4532 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [1,1,0,0,0,0|0,0,1]=3 4533 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [1,1,0,0,0,0|0,0,1]=3 4534 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [1,1,0,0,0,0|0,0,1]=3 4535 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [1,1,0,0,0,0|0,0,1]=3 4536 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [1,1,0,0,0,0|1,0,1]=4 4537 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [1,1,0,0,0,0|1,0,1]=4 4538 B10R0.4 CCOCCOCCN(C)C 2230a_100102631434_100011211534 [1,1,0,0,0,0|1,0,1]=4 4539 B10R0.4 CCOCCOCCN(C)C 269982a_100102631434_100011211534 [1,1,0,0,0,0|1,0,1]=4 4540 B10R0.4 CCOCCOCCN(C)C 7a_100000210136_100000755713 [1,1,0,0,0,0|1,0,1]=4 4541 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [1,1,0,0,0,0|1,0,1]=4 4542 B10R0.4 CCOCCOCOC(C)C 34a_100000210136_100000709892 [1,1,0,0,0,0|1,0,1]=4 4543 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [1,1,0,0,0,0|0,1,1]=4 4544 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [1,1,0,0,0,0|0,1,1]=4 4545 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [1,1,0,0,0,0|2,0,0]=4 4546 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [1,1,0,0,0,0|2,0,0]=4 4547 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,1,0,0,0,0|1,0,1]=4 4548 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,1,0,0,0,0|1,0,1]=4 4549 B10R0.4 CCSCCNCCC(C)C 2230a_100000106463_100000210312 [1,1,0,0,0,0|1,0,1]=4 4550 B10R0.4 CCSCCNCCC(C)C 269862a_100000106463_100000185833 [1,1,0,0,0,0|1,0,1]=4 4551 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [1,1,0,0,0,0|1,0,1]=4 4552 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [1,1,0,0,0,0|0,0,1]=3 4553 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [1,1,0,0,0,0|0,0,1]=3 4554 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [1,1,0,0,0,0|0,0,1]=3 4555 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [1,1,0,0,0,0|0,0,1]=3 4556 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [1,1,0,0,0,0|1,0,1]=4 4557 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [1,1,0,0,0,0|1,0,1]=4 4558 B10R0.4 CCSCCOCCN(C)C 7a_100000212035_100000755713 [1,1,0,0,0,0|1,0,1]=4 4559 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [1,1,0,0,0,0|1,0,1]=4 4560 B10R0.4 CCSCCOCOC(C)C 34a_100000212035_100000709892 [1,1,0,0,0,0|1,0,1]=4 4561 B10R0.4 CCSCCSCCC(C)C 62a_100000210312_100000757381 [1,1,0,0,0,0|0,1,1]=4 4562 B10R0.4 CCSCCSCCC(C)C 62a_100000757381_100000210312 [1,1,0,0,0,0|0,1,1]=4 4563 B10R0.4 CN(C)CCOCCCCCl 7a_100000210776_100000755713 [1,1,0,0,0,0|1,0,1]=4 4564 B10R0.4 CN(C)CCOCCCCF 7a_100011995726_100000755713 [1,1,0,0,0,0|1,0,1]=4 4565 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 4566 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 4567 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [1,1,0,0,0,0|0,0,1]=3 4568 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [1,1,0,0,0,0|1,0,1]=4 4569 B10R0.4 CNCCCOCOC(C)C 34a_100000213112_100000709892 [1,1,0,0,0,0|1,0,1]=4 4570 B10R0.4 CNCCOCCOC(C)C 34a_100000228057_100000210206 [1,1,0,0,0,0|1,0,1]=4 4571 B10R0.4 COCCCNCCC(C)C 269862a_100150723488_100000185833 [1,1,0,0,0,0|1,0,1]=4 4572 B10R0.4 COCCCNCCC(C)C 34a_100150723488_100000210312 [1,1,0,0,0,0|1,0,1]=4 4573 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [1,1,0,0,0,0|1,0,1]=4 4574 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [1,1,0,0,0,0|0,0,1]=3 4575 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [1,1,0,0,0,0|0,0,1]=3 4576 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [1,1,0,0,0,0|0,0,1]=3 4577 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [1,1,0,0,0,0|1,0,1]=4 4578 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [1,1,0,0,0,0|1,0,1]=4 4579 B10R0.4 COCCCOCOC(C)C 34a_100000740835_100000709892 [1,1,0,0,0,0|1,0,1]=4 4580 B10R0.4 COCCCSCCC(C)C 62a_100000210312_100000709357 [1,1,0,0,0,0|0,1,1]=4 4581 B10R0.4 COCCCSCCC(C)C 62a_100000709357_100000210312 [1,1,0,0,0,0|0,1,1]=4 4582 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [1,1,0,0,0,0|2,0,0]=4 4583 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [1,1,0,0,0,0|2,0,0]=4 4584 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [1,1,0,0,0,0|2,0,0]=4 4585 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [1,1,0,0,0,0|1,0,1]=4 4586 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [1,1,0,0,0,0|1,0,1]=4 4587 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [1,1,0,0,0,0|1,0,1]=4 4588 B10R0.4 COCCOCCNC(C)C 2230a_100000745349_100000210206 [1,1,0,0,0,0|1,0,1]=4 4589 B10R0.4 COCCOCCNC(C)C 2230a_100138425928_100000695917 [1,1,0,0,0,0|1,0,1]=4 4590 B10R0.4 COCCOCCNC(C)C 34a_100000224655_100011201679 [1,1,0,0,0,0|1,0,1]=4 4591 B10R0.4 COCCOCCNC(C)C 34a_100000745349_100000210206 [1,1,0,0,0,0|1,0,1]=4 4592 B10R0.4 COCCOCCNC(C)C 34a_100138425928_100000695917 [1,1,0,0,0,0|1,0,1]=4 4593 B10R0.4 COCCOCCOC(C)C 34a_100000210237_100000211751 [1,1,0,0,0,0|1,0,1]=4 4594 B10R0.4 COCCOCCOC(C)C 34a_100000211219_100011201679 [1,1,0,0,0,0|1,0,1]=4 4595 B10R0.4 COCCOCCOC(C)C 34a_100000212225_100000695917 [1,1,0,0,0,0|1,0,1]=4 4596 B10R0.4 COCCOCCOC(C)C 34a_100011215163_100000210206 [1,1,0,0,0,0|1,0,1]=4 4597 B10R0.4 COCCOCCOC(C)C 7a_100000211219_100000233755 [1,1,0,0,0,0|1,0,1]=4 4598 B10R0.4 COCCOCCOC(C)C 7a_100011215163_100000210206 [1,1,0,0,0,0|1,0,1]=4 4599 B10R0.4 COCCOCCSC(C)C 34a_100000210237_100000730970 [1,1,0,0,0,0|1,0,1]=4 4600 B10R0.4 COCCOCCSC(C)C 34a_200011212901_100011201679 [1,1,0,0,0,0|1,0,1]=4 4601 B10R0.4 COCCOCCSC(C)C 62a_100000210206_100000695917 [1,1,0,0,0,0|1,0,1]=4 4602 B10R0.4 COCCOCCSC(C)C 62a_100000695917_100000210206 [1,1,0,0,0,0|1,0,1]=4 4603 B10R0.4 COCCOCCSC(C)C 7a_200011212901_100000233755 [1,1,0,0,0,0|1,0,1]=4 4604 B10R0.4 COCCOCNCC(C)C 2230a_100000210953_100000231047 [1,1,0,0,0,0|1,0,1]=4 4605 B10R0.4 COCCOCSCC(C)C 62a_100000210624_100000231047 [1,1,0,0,0,0|1,0,1]=4 4606 B10R0.4 COCCOCSCC(C)C 62a_100000231047_100000210760 [1,1,0,0,0,0|1,0,1]=4 4607 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [1,1,0,0,0,0|2,0,0]=4 4608 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [1,1,0,0,0,0|2,0,0]=4 4609 B10R0.4 CSCCCNCCC(C)C 2230a_100000749238_100000210312 [1,1,0,0,0,0|1,0,1]=4 4610 B10R0.4 CSCCCNCCC(C)C 269862a_100000749238_100000185833 [1,1,0,0,0,0|1,0,1]=4 4611 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [1,1,0,0,0,0|0,0,1]=3 4612 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [1,1,0,0,0,0|0,0,1]=3 4613 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [1,1,0,0,0,0|1,0,1]=4 4614 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [1,1,0,0,0,0|1,0,1]=4 4615 B10R0.4 CSCCCOCCN(C)C 7a_100000690336_100000755713 [1,1,0,0,0,0|1,0,1]=4 4616 B10R0.4 CSCCCOCOC(C)C 34a_100000690336_100000709892 [1,1,0,0,0,0|1,0,1]=4 4617 B10R0.4 CSCCNCCCC(C)C 2230a_100020590264_100011214892 [1,1,0,0,0,0|2,0,0]=4 4618 B10R0.4 CSCCNCCCC(C)C 2230a_200000737386_100000751147 [1,1,0,0,0,0|2,0,0]=4 4619 B10R0.4 CSCCNCCCC(C)C 34a_200000737386_100000212216 [1,1,0,0,0,0|2,0,0]=4 4620 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [1,1,0,0,0,0|1,0,1]=4 4621 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [1,1,0,0,0,0|1,0,1]=4 4622 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [1,1,0,0,0,0|1,0,1]=4 4623 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [1,1,0,0,0,0|1,0,1]=4 4624 B10R0.4 CSCCOCCNC(C)C 34a_100000224655_100000212216 [1,1,0,0,0,0|1,0,1]=4 4625 B10R0.4 CSCCOCCOC(C)C 34a_100000211219_100000212216 [1,1,0,0,0,0|1,0,1]=4 4626 B10R0.4 CSCCOCCOC(C)C 34a_100000230434_100000211751 [1,1,0,0,0,0|1,0,1]=4 4627 B10R0.4 CSCCOCCOC(C)C 7a_100000211219_100000212216 [1,1,0,0,0,0|1,0,1]=4 4628 B10R0.4 CSCCOCCOC(C)C 7a_100000230434_100000211751 [1,1,0,0,0,0|1,0,1]=4 4629 B10R0.4 CSCCOCCSC(C)C 34a_100000230434_100000730970 [1,1,0,0,0,0|1,0,1]=4 4630 B10R0.4 CSCCOCCSC(C)C 34a_200011212901_100000212216 [1,1,0,0,0,0|1,0,1]=4 4631 B10R0.4 CSCCOCCSC(C)C 7a_100000230434_100000730970 [1,1,0,0,0,0|1,0,1]=4 4632 B10R0.4 CSCCOCCSC(C)C 7a_200011212901_100000212216 [1,1,0,0,0,0|1,0,1]=4 4633 B10R0.4 CSCCSCCCC(C)C 62a_100000212216_100011214892 [1,1,0,0,0,0|2,0,0]=4 4634 B10R0.4 CSCCSCCCC(C)C 62a_100011214892_100000751147 [1,1,0,0,0,0|2,0,0]=4 4635 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [1,1,0,0,0,0|1,0,1]=4 4636 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [1,1,0,0,0,0|1,0,1]=4 4637 B10R0.6 CC(C)CC(C)OCCCBr 34a_100011217188_100000731052 [1,1,0,0,0,0|1,0,1]=4 4638 B10R0.6 CC(C)CC(C)OCCCCl 34a_100000230001_100000731052 [1,1,0,0,0,0|1,0,1]=4 4639 B10R0.6 CC(C)CC(C)OCCCF 34a_100000211805_100011934791 [1,1,0,0,0,0|1,0,1]=4 4640 B10R0.6 CC(C)CC(C)OCCCF 34a_100000759539_100000731052 [1,1,0,0,0,0|1,0,1]=4 4641 B10R0.6 CC(C)CC(C)OCCCF 7a_100000211805_100011934791 [1,1,0,0,0,0|1,0,1]=4 4642 B10R0.6 CC(C)CC(C)OCCCN 34a_100000182051_100000731052 [1,1,0,0,0,0|1,0,1]=4 4643 B10R0.6 CC(C)CC(C)OCCCO 34a_100000211805_100000230001 [1,1,0,0,0,0|1,0,1]=4 4644 B10R0.6 CC(C)CC(C)OCCCO 7a_100000211805_100011215043 [1,1,0,0,0,0|1,0,1]=4 4645 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [1,1,0,0,0,0|1,0,1]=4 4646 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000102301_100000731052 [1,1,0,0,0,0|1,0,1]=4 4647 B10R0.6 CCCCNC(C)CC(C)C 2230a_100000692259_100000210211 [1,1,0,0,0,0|1,0,1]=4 4648 B10R0.6 CCCCNC(C)CC(C)C 7a_106832991798_100000731052 [1,1,0,0,0,0|1,0,1]=4 4649 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [1,1,0,0,0,0|0,0,1]=3 4650 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [1,1,0,0,0,0|0,0,1]=3 4651 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [1,1,0,0,0,0|0,0,1]=3 4652 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [1,1,0,0,0,0|0,0,1]=3 4653 B10R0.6 CCCCSC(C)CC(C)C 62a_100000210211_100000731052 [1,1,0,0,0,0|0,1,1]=4 4654 B10R0.6 CCCCSC(C)CC(C)C 62a_100000731052_100000210210 [1,1,0,0,0,0|0,1,1]=4 4655 B10R0.6 CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210303 [1,1,0,0,0,0|2,0,0]=4 4656 B10R0.6 COCCOC(C)CC(C)C 34a_100000210237_100000731052 [1,1,0,0,0,0|1,0,1]=4 4657 B10R0.6 COCCOC(C)CC(C)C 34a_100000211805_100011201679 [1,1,0,0,0,0|1,0,1]=4 4658 B10R0.6 COCCOC(C)CC(C)C 7a_100000211805_100000233755 [1,1,0,0,0,0|1,0,1]=4 4659 B10R0.6 CSCCOC(C)CC(C)C 34a_100000211805_100000212216 [1,1,0,0,0,0|1,0,1]=4 4660 B10R0.6 CSCCOC(C)CC(C)C 34a_100000230434_100000731052 [1,1,0,0,0,0|1,0,1]=4 4661 B10R0.6 CSCCOC(C)CC(C)C 7a_100000211805_100000212216 [1,1,0,0,0,0|1,0,1]=4 4662 B10R0.6 CSCCOC(C)CC(C)C 7a_100000230434_100000731052 [1,1,0,0,0,0|1,0,1]=4 4663 B10R0.22 CC(C)(C)CCOCCCBr 34a_100011217188_100000755188 [1,1,0,0,0,0|1,0,1]=4 4664 B10R0.22 CC(C)(C)CCOCCCCl 34a_100000230001_100000755188 [1,1,0,0,0,0|1,0,1]=4 4665 B10R0.22 CC(C)(C)CCOCCCF 34a_100000759539_100000755188 [1,1,0,0,0,0|1,0,1]=4 4666 B10R0.22 CC(C)(C)CCOCCCF 7a_100000765024_100011934791 [1,1,0,0,0,0|1,0,1]=4 4667 B10R0.22 CC(C)(C)CCOCCCN 34a_100000182051_100000755188 [1,1,0,0,0,0|1,0,1]=4 4668 B10R0.22 CC(C)(C)CCOCCCO 7a_100000765024_100011215043 [1,1,0,0,0,0|1,0,1]=4 4669 B10R0.22 CC(C)(O)CCOCCCBr 34a_100011217188_100000702414 [1,1,0,0,0,0|1,0,1]=4 4670 B10R0.22 CC(C)(O)CCOCCCCl 34a_100000230001_100000702414 [1,1,0,0,0,0|1,0,1]=4 4671 B10R0.22 CC(C)(O)CCOCCCF 34a_100000759539_100000702414 [1,1,0,0,0,0|1,0,1]=4 4672 B10R0.22 CC(C)(O)CCOCCCN 34a_100000182051_100000702414 [1,1,0,0,0,0|1,0,1]=4 4673 B10R0.22 CCC/C=C/COC(C)(C)C 34a_100016278788_100000210625 [1,1,0,0,0,0|2,0,0]=4 4674 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000102301_100000755188 [1,1,0,0,0,0|1,0,1]=4 4675 B10R0.22 CCCCNCCC(C)(C)C 2230a_100000738805_100000210211 [1,1,0,0,0,0|1,0,1]=4 4676 B10R0.22 CCCCNCCC(C)(C)C 7a_106832991798_100000755188 [1,1,0,0,0,0|1,0,1]=4 4677 B10R0.22 CCCCNCCC(C)(C)F 2230a_100016253952_100000210211 [1,1,0,0,0,0|1,0,1]=4 4678 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [1,1,0,0,0,0|1,0,1]=4 4679 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [1,1,0,0,0,0|1,0,1]=4 4680 B10R0.22 CCCCOCCC(C)(C)C 34a_100000210227_100000755188 [1,1,0,0,0,0|0,0,1]=3 4681 B10R0.22 CCCCOCCC(C)(C)C 7a_100000210227_100000755188 [1,1,0,0,0,0|0,0,1]=3 4682 B10R0.22 CCCCOCCC(C)(C)C 7a_100000765024_100000210211 [1,1,0,0,0,0|0,0,1]=3 4683 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [1,1,0,0,0,0|0,0,1]=3 4684 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [1,1,0,0,0,0|0,0,1]=3 4685 B10R0.22 CCCCOCC[N+](C)(C)C 34a_100000210227_100000085578 [1,1,0,0,0,0|1,0,1]=4 4686 B10R0.22 CCCCOCC[N+](C)(C)C 7a_100000210227_100000085578 [1,1,0,0,0,0|1,0,1]=4 4687 B10R0.22 CCCCOCC[N+](C)(C)C 7a_200020618287_100000210211 [1,1,0,0,0,0|1,0,1]=4 4688 B10R0.22 CCCCOCC[Si](C)(C)C 34a_100000210227_200000733723 [1,1,0,0,0,0|0,1,1]=4 4689 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000039746_100000210211 [1,1,0,0,0,0|0,1,1]=4 4690 B10R0.22 CCCCOCC[Si](C)(C)C 7a_100000210227_200000733723 [1,1,0,0,0,0|0,1,1]=4 4691 B10R0.22 CCCCOCNC(C)(C)C 2230a_100000715429_100011995733 [1,1,0,0,0,0|1,0,1]=4 4692 B10R0.22 CCCCOCOC(C)(C)C 34a_100015890283_100011995733 [1,1,0,0,0,0|1,0,1]=4 4693 B10R0.22 CCCCOCSC(C)(C)C 62a_100000211941_100011995733 [1,1,0,0,0,0|1,0,1]=4 4694 B10R0.22 CCCCOCSC(C)(C)C 62a_100011995733_100000211941 [1,1,0,0,0,0|1,0,1]=4 4695 B10R0.22 CCCCSCCC(C)(C)C 62a_100000210211_100000755188 [1,1,0,0,0,0|0,1,1]=4 4696 B10R0.22 CCCCSCCC(C)(C)C 62a_100000755188_100000210210 [1,1,0,0,0,0|0,1,1]=4 4697 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [1,1,0,0,0,0|0,1,1]=4 4698 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [1,1,0,0,0,0|0,1,1]=4 4699 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [1,1,0,0,0,0|2,0,0]=4 4700 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [1,1,0,0,0,0|2,0,0]=4 4701 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [1,1,0,0,0,0|2,0,0]=4 4702 B10R0.22 COCCOCCC(C)(C)C 34a_100000210237_100000755188 [1,1,0,0,0,0|1,0,1]=4 4703 B10R0.22 COCCOCCC(C)(C)C 7a_100000765024_100000233755 [1,1,0,0,0,0|1,0,1]=4 4704 B10R0.22 COCCOCCC(C)(C)O 34a_100000210237_100000702414 [1,1,0,0,0,0|1,0,1]=4 4705 B10R0.22 CSCCOCCC(C)(C)C 34a_100000230434_100000755188 [1,1,0,0,0,0|1,0,1]=4 4706 B10R0.22 CSCCOCCC(C)(C)C 7a_100000230434_100000755188 [1,1,0,0,0,0|1,0,1]=4 4707 B10R0.22 CSCCOCCC(C)(C)C 7a_100000765024_100000212216 [1,1,0,0,0,0|1,0,1]=4 4708 B10R0.22 CSCCOCCC(C)(C)O 34a_100000230434_100000702414 [1,1,0,0,0,0|1,0,1]=4 4709 B10R0.22 CSCCOCCC(C)(C)O 7a_100000230434_100000702414 [1,1,0,0,0,0|1,0,1]=4 4710 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [1,1,0,0,0,0|1,0,1]=4 4711 B10R0.55 CC(C)CCOCC(Cl)CCl 34a_100000033668_100000210312 [1,1,0,0,0,0|1,0,1]=4 4712 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [1,1,0,0,0,0|1,0,1]=4 4713 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [1,1,0,0,0,0|1,0,1]=4 4714 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [1,1,0,0,0,0|1,0,1]=4 4715 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [1,1,0,0,0,0|1,0,1]=4 4716 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [1,1,0,0,0,0|1,0,1]=4 4717 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [1,1,0,0,0,0|1,0,1]=4 4718 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [1,1,0,0,0,0|1,0,1]=4 4719 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [1,1,0,0,0,0|1,0,1]=4 4720 B10R0.55 CC(C)CCOC[C@H](F)CN 34a_100015665980_100000210312 [1,1,0,0,0,0|1,0,1]=4 4721 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [1,1,0,0,0,0|0,0,2]=4 4722 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [1,1,0,0,0,0|0,0,2]=4 4723 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [1,1,0,0,0,0|1,0,1]=4 4724 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [1,1,0,0,0,0|1,0,1]=4 4725 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [1,1,0,0,0,0|1,0,1]=4 4726 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [1,1,0,0,0,0|1,0,1]=4 4727 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [1,1,0,0,0,0|0,0,1]=3 4728 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [1,1,0,0,0,0|0,0,1]=3 4729 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [1,1,0,0,0,0|1,0,1]=4 4730 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [1,1,0,0,0,0|0,1,1]=4 4731 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [1,1,0,0,0,0|0,1,1]=4 4732 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [1,1,0,0,0,0|2,0,0]=4 4733 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [1,1,0,0,0,0|2,0,0]=4 4734 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [1,1,0,0,0,0|2,0,0]=4 4735 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [1,1,0,0,0,0|2,0,0]=4 4736 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [1,1,0,0,0,0|2,0,0]=4 4737 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [1,1,0,0,0,0|2,0,0]=4 4738 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [1,1,0,0,0,0|2,0,0]=4 4739 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [1,1,0,0,0,0|2,0,0]=4 4740 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [1,1,0,0,0,0|1,0,1]=4 4741 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [1,1,0,0,0,0|1,0,1]=4 4742 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [1,1,0,0,0,0|1,0,1]=4 4743 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [1,1,0,0,0,0|0,0,1]=3 4744 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [1,1,0,0,0,0|0,0,1]=3 4745 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [1,1,0,0,0,0|1,0,1]=4 4746 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [1,1,0,0,0,0|0,1,1]=4 4747 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [1,1,0,0,0,0|0,1,1]=4 4748 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [1,1,0,0,0,0|1,0,1]=4 4749 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [1,1,0,0,0,0|0,0,1]=3 4750 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [1,1,0,0,0,0|0,0,1]=3 4751 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [1,1,0,0,0,0|0,0,1]=3 4752 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [1,1,0,0,0,0|1,0,1]=4 4753 B10R0.55 CC[C@H](C)COCCN(C)C 7a_100009816381_100000755713 [1,1,0,0,0,0|1,0,1]=4 4754 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [1,1,0,0,0,0|1,0,1]=4 4755 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [1,1,0,0,0,0|0,1,1]=4 4756 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [1,1,0,0,0,0|0,1,1]=4 4757 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [1,1,0,0,0,0|1,0,1]=4 4758 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [1,1,0,0,0,0|1,0,1]=4 4759 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [1,1,0,0,0,0|1,0,1]=4 4760 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [1,1,0,0,0,0|1,0,1]=4 4761 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [1,1,0,0,0,0|1,0,1]=4 4762 B10R0.74 CCC/C=C/COC(C)CC 34a_100016278788_100011215416 [1,1,0,0,0,0|2,0,0]=4 4763 B10R0.74 CCC/C=C/COC(C)CC 7a_100016278788_100000758301 [1,1,0,0,0,0|2,0,0]=4 4764 B10R0.74 CCC/C=C/COC(C)CO 34a_100016278788_100012180447 [1,1,0,0,0,0|2,0,0]=4 4765 B10R0.74 CCC/C=C/COC(C)CO 7a_100016278788_100012180447 [1,1,0,0,0,0|2,0,0]=4 4766 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [1,1,0,0,0,0|1,0,1]=4 4767 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [1,1,0,0,0,0|1,0,1]=4 4768 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [1,1,0,0,0,0|1,0,1]=4 4769 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [1,1,0,0,0,0|1,0,1]=4 4770 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [1,1,0,0,0,0|1,0,1]=4 4771 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [1,1,0,0,0,0|1,0,1]=4 4772 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [1,1,0,0,0,0|1,0,1]=4 4773 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [1,1,0,0,0,0|1,0,1]=4 4774 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [1,1,0,0,0,0|1,0,1]=4 4775 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [1,1,0,0,0,0|1,0,1]=4 4776 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [1,1,0,0,0,0|1,0,1]=4 4777 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [1,1,0,0,0,0|1,0,1]=4 4778 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [1,1,0,0,0,0|1,0,1]=4 4779 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [1,1,0,0,0,0|1,0,1]=4 4780 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [1,1,0,0,0,0|1,0,1]=4 4781 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [1,1,0,0,0,0|1,0,1]=4 4782 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [1,1,0,0,0,0|0,0,1]=3 4783 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [1,1,0,0,0,0|0,0,1]=3 4784 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [1,1,0,0,0,0|1,0,1]=4 4785 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [1,1,0,0,0,0|1,0,1]=4 4786 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [1,1,0,0,0,0|1,0,1]=4 4787 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [1,1,0,0,0,0|1,0,1]=4 4788 B10R0.74 CCCCOCOC(C)CF 34a_100016041109_100011995733 [1,1,0,0,0,0|1,0,1]=4 4789 B10R0.74 CCCCOCOC(C)CN 34a_100000210904_100011995733 [1,1,0,0,0,0|1,0,1]=4 4790 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [1,1,0,0,0,0|1,0,1]=4 4791 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [1,1,0,0,0,0|1,0,1]=4 4792 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [1,1,0,0,0,0|1,0,1]=4 4793 B10R0.74 CCCCOCSC(C)OC 62a_100009879195_100011995733 [1,1,0,0,0,0|1,0,1]=4 4794 B10R0.74 CCCCOCSC(C)OC 62a_100011995733_100009879195 [1,1,0,0,0,0|1,0,1]=4 4795 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [1,1,0,0,0,0|1,0,1]=4 4796 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [1,1,0,0,0,0|1,0,1]=4 4797 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [1,1,0,0,0,0|2,0,0]=4 4798 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [1,1,0,0,0,0|2,0,0]=4 4799 B10R0.74 COC(C)CCOCCCF 7a_100000764861_100011934791 [1,1,0,0,0,0|1,0,1]=4 4800 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [1,1,0,0,0,0|1,0,1]=4 4801 B10R0.74 COC(C)CCOCCSC 7a_100000764861_100000212216 [1,1,0,0,0,0|1,0,1]=4 4802 B10R0.74 COCCOCCC(C)OC 7a_100000764861_100000233755 [1,1,0,0,0,0|1,0,1]=4 4803 B10R0.75 CC(C)[C@@H](N)COCCCF 34a_100011830312_100011934791 [1,1,0,0,0,0|1,0,1]=4 4804 B10R0.75 CC(C)[C@@H](N)COCCCO 34a_100011830312_100000230001 [1,1,0,0,0,0|1,0,1]=4 4805 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [1,1,0,0,0,0|1,0,1]=4 4806 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [1,1,0,0,0,0|1,0,1]=4 4807 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [1,1,0,0,0,0|1,0,1]=4 4808 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [1,1,0,0,0,0|0,0,2]=4 4809 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [1,1,0,0,0,0|0,0,2]=4 4810 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [1,1,0,0,0,0|0,0,2]=4 4811 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [1,1,0,0,0,0|0,0,2]=4 4812 B10R0.75 CCCCOCN(C)C(C)C 269982a_200000211004_100011995733 [1,1,0,0,0,0|1,0,1]=4 4813 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [1,1,0,0,0,0|0,0,1]=3 4814 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [1,1,0,0,0,0|2,0,0]=4 4815 B10R0.75 COCCOC[C@H](N)C(C)C 34a_100011830312_100011201679 [1,1,0,0,0,0|1,0,1]=4 4816 B10R0.75 CSCCOC[C@H](N)C(C)C 34a_100011830312_100000212216 [1,1,0,0,0,0|1,0,1]=4 4817 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [1,1,0,0,0,0|1,0,1]=4 4818 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [1,1,0,0,0,0|1,0,1]=4 4819 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [1,1,0,0,0,0|1,0,1]=4 4820 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000207549_100000210312 [1,1,0,0,0,0|1,0,1]=4 4821 B10R0.78 CCCCN(C)CCC(C)C 2230a_100000742789_100000210211 [1,1,0,0,0,0|1,0,1]=4 4822 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000207549_100000210312 [1,1,0,0,0,0|1,0,1]=4 4823 B10R0.78 CCCCN(C)CCC(C)C 269982a_100000742789_100000210211 [1,1,0,0,0,0|1,0,1]=4 4824 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [1,1,0,0,0,0|2,0,0]=4 4825 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [1,1,0,0,0,0|2,0,0]=4 4826 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [1,1,0,0,0,0|2,0,0]=4 4827 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [1,1,0,0,0,0|2,0,0]=4 4828 B10R0.78 CCCNC(C)CCC(C)C 2230a_100138410893_100000210303 [1,1,0,0,0,0|2,0,0]=4 4829 B10R0.78 CCCNC(C)CCC(C)C 270004a_100020643023_100000210476 [1,1,0,0,0,0|2,0,0]=4 4830 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [1,1,0,0,0,0|2,0,0]=4 4831 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [1,1,0,0,0,0|2,0,0]=4 4832 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [1,1,0,0,0,0|2,0,0]=4 4833 B10R0.78 CCCSC(C)CCC(C)C 62a_100000210303_100011261404 [1,1,0,0,0,0|2,0,0]=4 4834 B10R0.78 CCCSC(C)CCC(C)C 62a_100011261404_100000210303 [1,1,0,0,0,0|2,0,0]=4 4835 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [1,1,0,0,0,0|0,0,2]=4 4836 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [1,1,0,0,0,0|0,0,2]=4 4837 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [1,1,0,0,0,0|0,0,2]=4 4838 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,1,0,0,0,0|0,0,2]=4 4839 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,1,0,0,0,0|0,0,2]=4 4840 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,1,0,0,0,0|0,0,2]=4 4841 B10R0.97 CC(Br)CCOCOC(C)C 34a_100009893172_100000709892 [1,1,0,0,0,0|1,0,1]=4 4842 B10R0.97 CC(C)CCCNCC(C)C 2230a_100000210953_100011214892 [1,1,0,0,0,0|2,0,0]=4 4843 B10R0.97 CC(C)CCCNCC(C)C 2230a_200000737386_100000210760 [1,1,0,0,0,0|2,0,0]=4 4844 B10R0.97 CC(C)CCCNCC(C)C 270004a_200000737386_100000210432 [1,1,0,0,0,0|2,0,0]=4 4845 B10R0.97 CC(C)CCCNCC(C)C 34a_100000210953_100011214892 [1,1,0,0,0,0|2,0,0]=4 4846 B10R0.97 CC(C)CCCNCC(C)C 34a_200000737386_100000210624 [1,1,0,0,0,0|2,0,0]=4 4847 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [1,1,0,0,0,0|2,0,0]=4 4848 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [1,1,0,0,0,0|2,0,0]=4 4849 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [1,1,0,0,0,0|2,0,0]=4 4850 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [1,1,0,0,0,0|2,0,0]=4 4851 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [1,1,0,0,0,0|2,0,0]=4 4852 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [1,1,0,0,0,0|2,0,0]=4 4853 B10R0.97 CC(C)CCCOCC(C)Br 34a_100012180447_100011214892 [1,1,0,0,0,0|2,0,0]=4 4854 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210257_100011214892 [1,1,0,0,0,0|2,0,0]=4 4855 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210774_100000210624 [1,1,0,0,0,0|2,0,0]=4 4856 B10R0.97 CC(C)CCCOCC(C)C 7a_100000210774_100000210760 [1,1,0,0,0,0|2,0,0]=4 4857 B10R0.97 CC(C)CCCOCC(C)F 34a_100015925927_100011214892 [1,1,0,0,0,0|2,0,0]=4 4858 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [1,1,0,0,0,0|2,0,0]=4 4859 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [1,1,0,0,0,0|2,0,0]=4 4860 B10R0.97 CC(C)CCCOC[C@@H](C)Cl 34a_100016084084_100011214892 [1,1,0,0,0,0|2,0,0]=4 4861 B10R0.97 CC(C)CCCOC[C@@H](C)N 34a_100000737577_100011214892 [1,1,0,0,0,0|2,0,0]=4 4862 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [1,1,0,0,0,0|2,0,0]=4 4863 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [1,1,0,0,0,0|2,0,0]=4 4864 B10R0.97 CC(C)CCCSCC(C)C 62a_100000210624_100011214892 [1,1,0,0,0,0|2,0,0]=4 4865 B10R0.97 CC(C)CCCSCC(C)C 62a_100011214892_100000210760 [1,1,0,0,0,0|2,0,0]=4 4866 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [1,1,0,0,0,0|2,0,0]=4 4867 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [1,1,0,0,0,0|2,0,0]=4 4868 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [1,1,0,0,0,0|2,0,0]=4 4869 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [1,1,0,0,0,0|2,0,0]=4 4870 B10R0.97 CC(C)CCNCCC(C)C 269862a_100000210545_100000185833 [1,1,0,0,0,0|1,0,1]=4 4871 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [1,1,0,0,0,0|1,0,1]=4 4872 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [1,1,0,0,0,0|1,0,1]=4 4873 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [1,1,0,0,0,0|0,0,1]=3 4874 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [1,1,0,0,0,0|0,0,1]=3 4875 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [1,1,0,0,0,0|0,0,1]=3 4876 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [1,1,0,0,0,0|0,0,1]=3 4877 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [1,1,0,0,0,0|0,0,1]=3 4878 B10R0.97 CC(C)CCOCCC(F)F 34a_100103093639_100000210312 [1,1,0,0,0,0|1,0,1]=4 4879 B10R0.97 CC(C)CCOCCN(C)C 7a_100000210254_100000755713 [1,1,0,0,0,0|1,0,1]=4 4880 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [1,1,0,0,0,0|0,0,1]=3 4881 B10R0.97 CC(C)CCOCOC(C)C 34a_100000210254_100000709892 [1,1,0,0,0,0|1,0,1]=4 4882 B10R0.97 CC(C)CCSCCC(C)C 62a_100000210312_100000210312 [1,1,0,0,0,0|0,1,1]=4 4883 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [1,1,0,0,0,0|0,1,1]=4 4884 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [1,1,0,0,0,0|0,1,1]=4 4885 B10R0.97 CC(C)OCOCC[C@@H](C)N 34a_100000706166_100000709892 [1,1,0,0,0,0|1,0,1]=4 4886 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [1,1,0,0,0,0|1,0,1]=4 4887 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [1,1,0,0,0,0|1,0,1]=4 4888 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [1,1,0,0,0,0|0,0,2]=4 4889 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [1,1,0,0,0,0|0,0,2]=4 4890 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [1,1,0,0,0,0|1,0,1]=4 4891 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [1,1,0,0,0,0|1,0,1]=4 4892 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 4893 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 4894 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 4895 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [1,1,0,0,0,0|1,0,1]=4 4896 B10R0.1 C#CCNCOC(=O)CCC 34a_100000212058_100000034017 [1,1,0,0,0,0|0,0,2]=4 4897 B10R0.1 C#CCOCOC(=O)CCC 34a_100000210247_100000034017 [1,1,0,0,0,0|0,0,2]=4 4898 B10R0.1 C#CCSCOC(=O)CCC 62a_100000038162_100000034017 [1,1,0,0,0,0|0,0,2]=4 4899 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [1,1,0,0,0,0|0,0,2]=4 4900 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [1,1,0,0,0,0|0,0,2]=4 4901 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,1,0,0,0,0|1,0,1]=4 4902 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,1,0,0,0,0|1,0,1]=4 4903 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 4904 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 4905 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 4906 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [1,1,0,0,0,0|1,0,1]=4 4907 B10R0.1 C=CCNCOC(=O)CCC 2230a_100020586998_100000034017 [1,1,0,0,0,0|0,0,2]=4 4908 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [1,1,0,0,0,0|0,0,2]=4 4909 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [1,1,0,0,0,0|0,0,2]=4 4910 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [1,1,0,0,0,0|0,0,2]=4 4911 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,1,0,0,0,0|1,0,1]=4 4912 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [1,1,0,0,0,0|0,0,2]=4 4913 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,1,0,0,0,0|1,0,1]=4 4914 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [1,1,0,0,0,0|1,0,1]=4 4915 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,1,0,0,0,0|1,0,0]=3 4916 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,1,0,0,0,0|1,0,0]=3 4917 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,1,0,0,0,0|1,0,0]=3 4918 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,1,0,0,0,0|1,0,0]=3 4919 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|1,0,0]=3 4920 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,1,0,0,0,0|2,0,0]=4 4921 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,1,0,0,0,0|2,0,0]=4 4922 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [1,1,0,0,0,0|2,0,0]=4 4923 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [1,1,0,0,0,0|2,0,0]=4 4924 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [1,1,0,0,0,0|2,0,0]=4 4925 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [1,1,0,0,0,0|1,0,0]=3 4926 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [1,1,0,0,0,0|1,0,0]=3 4927 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [1,1,0,0,0,0|1,1,0]=4 4928 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [1,1,0,0,0,0|1,1,0]=4 4929 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [1,1,0,0,0,0|1,1,0]=4 4930 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [1,1,0,0,0,0|1,1,0]=4 4931 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [1,1,0,0,0,0|1,1,0]=4 4932 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [1,1,0,0,0,0|1,1,0]=4 4933 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [1,1,0,0,0,0|1,1,0]=4 4934 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [1,1,0,0,0,0|1,1,0]=4 4935 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [1,1,0,0,0,0|1,1,0]=4 4936 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [1,1,0,0,0,0|1,1,0]=4 4937 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [1,1,0,0,0,0|1,0,0]=3 4938 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [1,1,0,0,0,0|1,0,0]=3 4939 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [1,1,0,0,0,0|1,0,0]=3 4940 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [1,1,0,0,0,0|1,0,0]=3 4941 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [1,1,0,0,0,0|1,0,0]=3 4942 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 4943 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 4944 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 4945 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 4946 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,1,0,0,0,0|1,0,0]=3 4947 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,1,0,0,0,0|1,0,0]=3 4948 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,1,0,0,0,0|1,0,0]=3 4949 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,1,0,0,0,0|1,0,0]=3 4950 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 4951 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 4952 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 4953 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 4954 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [1,1,0,0,0,0|2,0,0]=4 4955 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [1,1,0,0,0,0|1,0,0]=3 4956 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [1,1,0,0,0,0|1,0,0]=3 4957 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [1,1,0,0,0,0|1,0,0]=3 4958 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [1,1,0,0,0,0|1,0,0]=3 4959 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [1,1,0,0,0,0|1,0,0]=3 4960 B10R0.1 CCCC(=O)OCSCC#N 62a_100011215382_100000034017 [1,1,0,0,0,0|1,0,1]=4 4961 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [1,1,0,0,0,0|1,0,1]=4 4962 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [1,1,0,0,0,0|1,0,0]=3 4963 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [1,1,0,0,0,0|1,0,0]=3 4964 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [1,1,0,0,0,0|1,0,0]=3 4965 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [1,1,0,0,0,0|1,0,0]=3 4966 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [1,1,0,0,0,0|1,0,1]=4 4967 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [1,1,0,0,0,0|1,0,1]=4 4968 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [1,1,0,0,0,0|1,0,1]=4 4969 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [1,1,0,0,0,0|1,0,1]=4 4970 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [1,1,0,0,0,0|1,0,1]=4 4971 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [1,1,0,0,0,0|1,0,1]=4 4972 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [1,1,0,0,0,0|1,0,1]=4 4973 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [1,1,0,0,0,0|1,0,1]=4 4974 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [1,1,0,0,0,0|1,0,1]=4 4975 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [1,1,0,0,0,0|1,0,1]=4 4976 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [1,1,0,0,0,0|1,0,1]=4 4977 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [1,1,0,0,0,0|1,0,1]=4 4978 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [1,1,0,0,0,0|1,0,1]=4 4979 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [1,1,0,0,0,0|1,0,1]=4 4980 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [1,1,0,0,0,0|1,0,1]=4 4981 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [1,1,0,0,0,0|1,0,1]=4 4982 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [1,1,0,0,0,0|1,0,1]=4 4983 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [1,1,0,0,0,0|1,0,1]=4 4984 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [1,1,0,0,0,0|1,0,1]=4 4985 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [1,1,0,0,0,0|1,0,1]=4 4986 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [1,1,0,0,0,0|1,0,1]=4 4987 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [1,1,0,0,0,0|1,0,1]=4 4988 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [1,1,0,0,0,0|1,0,1]=4 4989 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [1,1,0,0,0,0|1,0,1]=4 4990 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [1,1,0,0,0,0|1,0,1]=4 4991 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [1,1,0,0,0,0|1,0,1]=4 4992 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [1,1,0,0,0,0|1,0,0]=3 4993 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [1,1,0,0,0,0|2,0,0]=4 4994 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [1,1,0,0,0,0|2,0,0]=4 4995 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [1,1,0,0,0,0|2,0,0]=4 4996 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [1,1,0,0,0,0|2,0,0]=4 4997 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|1,0,0]=3 4998 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|1,0,0]=3 4999 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,1,0,0,0,0|2,0,0]=4 5000 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,1,0,0,0,0|2,0,0]=4 5001 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,1,0,0,0,0|2,0,0]=4 5002 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,1,0,0,0,0|2,0,0]=4 5003 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,1,0,0,0,0|2,0,0]=4 5004 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,1,0,0,0,0|2,0,0]=4 5005 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,1,0,0,0,0|2,0,0]=4 5006 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,1,0,0,0,0|2,0,0]=4 5007 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 5008 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 5009 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 5010 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,1,0,0,0,0|1,0,0]=3 5011 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,1,0,0,0,0|2,0,0]=4 5012 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [1,1,0,0,0,0|2,0,0]=4 5013 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [1,1,0,0,0,0|2,0,0]=4 5014 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [1,1,0,0,0,0|2,0,0]=4 5015 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 5016 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 5017 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 5018 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,1,0,0,0,0|2,0,0]=4 5019 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,1,0,0,0,0|2,0,0]=4 5020 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 5021 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 5022 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 5023 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [1,1,0,0,0,0|2,0,0]=4 5024 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [1,1,0,0,0,0|2,0,0]=4 5025 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [1,1,0,0,0,0|2,0,0]=4 5026 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [1,1,0,0,0,0|2,0,0]=4 5027 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [1,1,0,0,0,0|2,0,0]=4 5028 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,1,0,0,0,0|2,0,0]=4 5029 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,1,0,0,0,0|2,0,0]=4 5030 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,1,0,0,0,0|2,0,0]=4 5031 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,1,0,0,0,0|2,0,0]=4 5032 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,1,0,0,0,0|2,0,0]=4 5033 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,1,0,0,0,0|2,0,0]=4 5034 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [1,1,0,0,0,0|1,0,1]=4 5035 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [1,1,0,0,0,0|1,0,1]=4 5036 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [1,1,0,0,0,0|1,0,1]=4 5037 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [1,1,0,0,0,0|1,0,1]=4 5038 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,1,0,0,0,0|1,0,0]=3 5039 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,1,0,0,0,0|1,0,0]=3 5040 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [1,1,0,0,0,0|2,0,0]=4 5041 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [1,1,0,0,0,0|2,0,0]=4 5042 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [1,1,0,0,0,0|2,0,0]=4 5043 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,1,0,0,0,0|2,0,0]=4 5044 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,1,0,0,0,0|2,0,0]=4 5045 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [1,1,0,0,0,0|2,0,0]=4 5046 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [1,1,0,0,0,0|1,0,0]=3 5047 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [1,1,0,0,0,0|2,0,0]=4 5048 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [1,1,0,0,0,0|2,0,0]=4 5049 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [1,1,0,0,0,0|2,0,0]=4 5050 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [1,1,0,0,0,0|2,0,0]=4 5051 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [1,1,0,0,0,0|2,0,0]=4 5052 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [1,1,0,0,0,0|2,0,0]=4 5053 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [1,1,0,0,0,0|1,0,1]=4 5054 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [1,1,0,0,0,0|1,0,1]=4 5055 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,1,0,0,0,0|0,0,0]=2 5056 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,1,0,0,0,0|0,0,0]=2 5057 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,1,0,0,0,0|0,0,0]=2 5058 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [1,1,0,0,0,0|1,0,0]=3 5059 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [1,1,0,0,0,0|1,0,0]=3 5060 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [1,1,0,0,0,0|1,0,0]=3 5061 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [1,1,0,0,0,0|1,0,0]=3 5062 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [1,1,0,0,0,0|1,0,0]=3 5063 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 5064 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 5065 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [1,1,0,0,0,0|1,0,0]=3 5066 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 5067 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [1,1,0,0,0,0|1,0,0]=3 5068 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [1,1,0,0,0,0|2,0,0]=4 5069 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [1,1,0,0,0,0|2,0,0]=4 5070 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [1,1,0,0,0,0|2,0,0]=4 5071 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,1,0,0,0,0|1,0,0]=3 5072 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,1,0,0,0,0|1,0,0]=3 5073 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [1,1,0,0,0,0|1,0,1]=4 5074 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [1,1,0,0,0,0|1,0,1]=4 5075 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [1,1,0,0,0,0|1,0,1]=4 5076 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [1,1,0,0,0,0|1,0,1]=4 5077 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 5078 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 5079 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [1,1,0,0,0,0|1,0,1]=4 5080 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,1,0,0,0,0|0,1,0]=3 5081 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,1,0,0,0,0|0,1,0]=3 5082 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,1,0,0,0,0|0,1,0]=3 5083 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [1,1,0,0,0,0|1,1,0]=4 5084 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [1,1,0,0,0,0|1,1,0]=4 5085 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [1,1,0,0,0,0|1,1,0]=4 5086 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [1,1,0,0,0,0|1,1,0]=4 5087 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [1,1,0,0,0,0|1,1,0]=4 5088 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [1,1,0,0,0,0|1,1,0]=4 5089 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [1,1,0,0,0,0|1,1,0]=4 5090 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,1,0,0,0,0|1,1,0]=4 5091 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,1,0,0,0,0|1,1,0]=4 5092 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,1,0,0,0,0|2,0,0]=4 5093 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,1,0,0,0,0|1,0,0]=3 5094 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,1,0,0,0,0|2,0,0]=4 5095 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [1,1,0,0,0,0|2,0,0]=4 5096 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [1,1,0,0,0,0|2,0,0]=4 5097 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,1,0,0,0,0|2,0,0]=4 5098 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [1,1,0,0,0,0|0,0,0]=2 5099 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,1,0,0,0,0|2,0,0]=4 5100 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,1,0,0,0,0|2,0,0]=4 5101 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,1,0,0,0,0|2,0,0]=4 5102 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,1,0,0,0,0|2,0,0]=4 5103 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [1,1,0,0,0,0|0,0,0]=2 5104 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,1,0,0,0,0|1,0,0]=3 5105 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,1,0,0,0,0|2,0,0]=4 5106 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [1,1,0,0,0,0|2,0,0]=4 5107 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [1,1,0,0,0,0|2,0,0]=4 5108 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [1,1,0,0,0,0|2,0,0]=4 5109 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [1,1,0,0,0,0|2,0,0]=4 5110 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 5111 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 5112 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [1,1,0,0,0,0|2,0,0]=4 5113 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 5114 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [1,1,0,0,0,0|2,0,0]=4 5115 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [1,1,0,0,0,0|2,0,0]=4 5116 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 5117 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 5118 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 5119 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 5120 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 5121 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 5122 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 5123 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [1,1,0,0,0,0|2,0,0]=4 5124 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 5125 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [1,1,0,0,0,0|2,0,0]=4 5126 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 5127 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 5128 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 5129 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 5130 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 5131 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 5132 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 5133 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [1,1,0,0,0,0|2,0,0]=4 5134 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [1,1,0,0,0,0|2,0,0]=4 5135 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [1,1,0,0,0,0|2,0,0]=4 5136 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [1,1,0,0,0,0|2,0,0]=4 5137 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [1,1,0,0,0,0|2,0,0]=4 5138 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [1,1,0,0,0,0|2,0,0]=4 5139 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 5140 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 5141 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 5142 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 5143 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 5144 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 5145 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,1,0,0,0,0|2,0,0]=4 5146 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,1,0,0,0,0|2,0,0]=4 5147 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,1,0,0,0,0|2,0,0]=4 5148 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,1,0,0,0,0|2,0,0]=4 5149 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,1,0,0,0,0|2,0,0]=4 5150 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,1,0,0,0,0|2,0,0]=4 5151 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,1,0,0,0,0|2,0,0]=4 5152 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,1,0,0,0,0|2,0,0]=4 5153 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,1,0,0,0,0|2,0,0]=4 5154 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,1,0,0,0,0|2,0,0]=4 5155 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,1,0,0,0,0|2,0,0]=4 5156 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [1,1,0,0,0,0|2,0,0]=4 5157 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [1,1,0,0,0,0|2,0,0]=4 5158 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [1,1,0,0,0,0|2,0,0]=4 5159 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [1,1,0,0,0,0|2,0,0]=4 5160 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [1,1,0,0,0,0|2,0,0]=4 5161 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [1,1,0,0,0,0|2,0,0]=4 5162 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [1,1,0,0,0,0|2,0,0]=4 5163 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [1,1,0,0,0,0|2,0,0]=4 5164 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [1,1,0,0,0,0|2,0,0]=4 5165 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [1,1,0,0,0,0|2,0,0]=4 5166 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [1,1,0,0,0,0|2,0,0]=4 5167 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [1,1,0,0,0,0|2,0,0]=4 5168 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [1,1,0,0,0,0|2,0,0]=4 5169 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [1,1,0,0,0,0|2,0,0]=4 5170 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [1,1,0,0,0,0|2,0,0]=4 5171 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,1,0,0,0,0|2,0,0]=4 5172 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [1,1,0,0,0,0|2,0,0]=4 5173 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [1,1,0,0,0,0|2,0,0]=4 5174 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [1,1,0,0,0,0|2,0,0]=4 5175 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [1,1,0,0,0,0|2,0,0]=4 5176 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,1,0,0,0,0|2,0,0]=4 5177 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,1,0,0,0,0|2,0,0]=4 5178 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,1,0,0,0,0|2,0,0]=4 5179 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,1,0,0,0,0|2,0,0]=4 5180 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,1,0,0,0,0|2,0,0]=4 5181 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [1,1,0,0,0,0|2,0,0]=4 5182 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [1,1,0,0,0,0|2,0,0]=4 5183 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [1,1,0,0,0,0|2,0,0]=4 5184 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [1,1,0,0,0,0|2,0,0]=4 5185 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [1,1,0,0,0,0|2,0,0]=4 5186 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [1,1,0,0,0,0|2,0,0]=4 5187 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [1,1,0,0,0,0|2,0,0]=4 5188 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [1,1,0,0,0,0|2,0,0]=4 5189 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [1,1,0,0,0,0|2,0,0]=4 5190 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,1,0,0,0,0|2,0,0]=4 5191 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [1,1,0,0,0,0|1,0,0]=3 5192 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [1,1,0,0,0,0|1,0,0]=3 5193 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [1,1,0,0,0,0|1,0,0]=3 5194 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [1,1,0,0,0,0|1,0,0]=3 5195 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [1,1,0,0,0,0|1,0,0]=3 5196 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [1,1,0,0,0,0|1,0,0]=3 5197 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [1,1,0,0,0,0|1,0,0]=3 5198 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [1,1,0,0,0,0|1,0,0]=3 5199 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [1,1,0,0,0,0|2,0,0]=4 5200 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 5201 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 5202 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 5203 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 5204 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 5205 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 5206 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 5207 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 5208 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [1,1,0,0,0,0|2,0,0]=4 5209 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [1,1,0,0,0,0|2,0,0]=4 5210 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [1,1,0,0,0,0|2,0,0]=4 5211 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [1,1,0,0,0,0|2,0,0]=4 5212 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [1,1,0,0,0,0|2,0,0]=4 5213 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [1,1,0,0,0,0|2,0,0]=4 5214 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [1,1,0,0,0,0|2,0,0]=4 5215 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 5216 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 5217 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 5218 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 5219 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [1,1,0,0,0,0|2,0,0]=4 5220 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [1,1,0,0,0,0|2,0,0]=4 5221 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [1,1,0,0,0,0|2,0,0]=4 5222 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [1,1,0,0,0,0|2,0,0]=4 5223 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [1,1,0,0,0,0|2,0,0]=4 5224 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [1,1,0,0,0,0|2,0,0]=4 5225 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [1,1,0,0,0,0|2,0,0]=4 5226 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [1,1,0,0,0,0|2,0,0]=4 5227 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [1,1,0,0,0,0|2,0,0]=4 5228 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [1,1,0,0,0,0|2,0,0]=4 5229 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [1,1,0,0,0,0|2,0,0]=4 5230 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [1,1,0,0,0,0|2,0,0]=4 5231 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [1,1,0,0,0,0|2,0,0]=4 5232 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [1,1,0,0,0,0|2,0,0]=4 5233 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [1,1,0,0,0,0|2,0,0]=4 5234 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [1,1,0,0,0,0|2,0,0]=4 5235 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [1,1,0,0,0,0|2,0,0]=4 5236 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [1,1,0,0,0,0|2,0,0]=4 5237 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [1,1,0,0,0,0|2,0,0]=4 5238 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [1,1,0,0,0,0|2,0,0]=4 5239 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 5240 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 5241 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 5242 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 5243 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [1,1,0,0,0,0|2,0,0]=4 5244 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [1,1,0,0,0,0|2,0,0]=4 5245 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [1,1,0,0,0,0|2,0,0]=4 5246 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [1,1,0,0,0,0|2,0,0]=4 5247 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [1,1,0,0,0,0|2,0,0]=4 5248 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [1,1,0,0,0,0|1,0,1]=4 5249 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [1,1,0,0,0,0|1,0,1]=4 5250 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [1,1,0,0,0,0|1,0,1]=4 5251 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [1,1,0,0,0,0|1,0,0]=3 5252 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [1,1,0,0,0,0|1,0,0]=3 5253 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [1,1,0,0,0,0|2,0,0]=4 5254 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [1,1,0,0,0,0|2,0,0]=4 5255 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [1,1,0,0,0,0|2,0,0]=4 5256 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [1,1,0,0,0,0|2,0,0]=4 5257 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 5258 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 5259 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 5260 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 5261 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [1,1,0,0,0,0|2,0,0]=4 5262 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [1,1,0,0,0,0|2,0,0]=4 5263 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 5264 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 5265 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 5266 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 5267 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [1,1,0,0,0,0|2,0,0]=4 5268 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [1,1,0,0,0,0|2,0,0]=4 5269 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [1,1,0,0,0,0|2,0,0]=4 5270 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [1,1,0,0,0,0|2,0,0]=4 5271 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [1,1,0,0,0,0|2,0,0]=4 5272 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [1,1,0,0,0,0|2,0,0]=4 5273 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [1,1,0,0,0,0|2,0,0]=4 5274 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [1,1,0,0,0,0|2,0,0]=4 5275 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [1,1,0,0,0,0|2,0,0]=4 5276 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 5277 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 5278 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 5279 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 5280 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 5281 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 5282 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 5283 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 5284 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 5285 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [1,1,0,0,0,0|2,0,0]=4 5286 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 5287 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 5288 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [1,1,0,0,0,0|2,0,0]=4 5289 B10R0.2 CCCC(C)OC(C)CCC 34a_100000764384_100000766640 [1,1,0,0,0,0|1,0,1]=4 5290 B10R0.2 CCCC(C)OC(C)CCC 7a_100000764384_100000766640 [1,1,0,0,0,0|1,0,1]=4 5291 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [1,1,0,0,0,0|2,0,0]=4 5292 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [1,1,0,0,0,0|2,0,0]=4 5293 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [1,1,0,0,0,0|1,0,1]=4 5294 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [1,1,0,0,0,0|2,0,0]=4 5295 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [1,1,0,0,0,0|2,0,0]=4 5296 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [1,1,0,0,0,0|2,0,0]=4 5297 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 5298 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 5299 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 5300 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 5301 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 5302 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 5303 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 5304 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 5305 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [1,1,0,0,0,0|2,0,0]=4 5306 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,1,0,0,0,0|1,0,0]=3 5307 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,1,0,0,0,0|1,0,0]=3 5308 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [1,1,0,0,0,0|2,0,0]=4 5309 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [1,1,0,0,0,0|2,0,0]=4 5310 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [1,1,0,0,0,0|2,0,0]=4 5311 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [1,1,0,0,0,0|2,0,0]=4 5312 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [1,1,0,0,0,0|2,0,0]=4 5313 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [1,1,0,0,0,0|2,0,0]=4 5314 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [1,1,0,0,0,0|2,0,0]=4 5315 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [1,1,0,0,0,0|2,0,0]=4 5316 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,1,0,0,0,0|1,0,0]=3 5317 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [1,1,0,0,0,0|2,0,0]=4 5318 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [1,1,0,0,0,0|2,0,0]=4 5319 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [1,1,0,0,0,0|2,0,0]=4 5320 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [1,1,0,0,0,0|2,0,0]=4 5321 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 5322 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 5323 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 5324 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 5325 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [1,1,0,0,0,0|2,0,0]=4 5326 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [1,1,0,0,0,0|2,0,0]=4 5327 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [1,1,0,0,0,0|2,0,0]=4 5328 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [1,1,0,0,0,0|2,0,0]=4 5329 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 5330 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 5331 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 5332 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [1,1,0,0,0,0|2,0,0]=4 5333 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 5334 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 5335 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 5336 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 5337 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 5338 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [1,1,0,0,0,0|2,0,0]=4 5339 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [1,1,0,0,0,0|2,0,0]=4 5340 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [1,1,0,0,0,0|2,0,0]=4 5341 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [1,1,0,0,0,0|2,0,0]=4 5342 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 5343 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 5344 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [1,1,0,0,0,0|2,0,0]=4 5345 B10R0.24 C#CC(CCC)OCCCC 34a_200011217317_100000210210 [1,1,0,0,0,0|1,0,1]=4 5346 B10R0.24 C#CC(CCC)OCCCC 7a_200011217317_100000210211 [1,1,0,0,0,0|1,0,1]=4 5347 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [1,1,0,0,0,0|1,0,1]=4 5348 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [1,1,0,0,0,0|1,0,1]=4 5349 B10R0.24 CCCCOC(C#N)CCC 34a_100000686963_100000210210 [1,1,0,0,0,0|1,0,1]=4 5350 B10R0.24 CCCCOC(C#N)CCC 7a_100000686963_100000210211 [1,1,0,0,0,0|1,0,1]=4 5351 B10R0.24 CCCCOC(CC)CCC 34a_100000687864_100000210210 [1,1,0,0,0,0|1,0,1]=4 5352 B10R0.24 CCCCOC(CC)CCC 7a_100000210227_100011219200 [1,1,0,0,0,0|1,0,1]=4 5353 B10R0.24 CCCCOC(CC)CCC 7a_100000687864_100000210211 [1,1,0,0,0,0|1,0,1]=4 5354 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [1,1,0,0,0,0|2,0,0]=4 5355 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [1,1,0,0,0,0|2,0,0]=4 5356 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [1,1,0,0,0,0|2,0,0]=4 5357 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [1,1,0,0,0,0|2,0,0]=4 5358 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [1,1,0,0,0,0|2,0,0]=4 5359 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [1,1,0,0,0,0|2,0,0]=4 5360 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 5361 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 5362 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 5363 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 5364 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [1,1,0,0,0,0|2,0,0]=4 5365 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [1,1,0,0,0,0|2,0,0]=4 5366 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 5367 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 5368 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 5369 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 5370 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 5371 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 5372 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 5373 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [1,1,0,0,0,0|2,0,0]=4 5374 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [1,1,0,0,0,0|2,0,0]=4 5375 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [1,1,0,0,0,0|2,0,0]=4 5376 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [1,1,0,0,0,0|2,0,0]=4 5377 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [1,1,0,0,0,0|2,0,0]=4 5378 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [1,1,0,0,0,0|2,0,0]=4 5379 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [1,1,0,0,0,0|2,0,0]=4 5380 B10R0.83 CCCC#CC(=O)C(C)CC 1458a_200011218047_100000758301 [1,1,0,0,0,0|1,0,1]=4 5381 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [1,1,0,0,0,0|1,0,1]=4 5382 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,1,0,0,0,0|1,0,0]=3 5383 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,1,0,0,0,0|1,0,0]=3 5384 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [1,1,0,0,0,0|2,0,0]=4 5385 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [1,1,0,0,0,0|2,0,0]=4 5386 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,1,0,0,0,0|1,0,0]=3 5387 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [1,1,0,0,0,0|2,0,0]=4 5388 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [1,1,0,0,0,0|2,0,0]=4 5389 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [1,1,0,0,0,0|2,0,0]=4 5390 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [1,1,0,0,0,0|2,0,0]=4 5391 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [1,1,0,0,0,0|2,0,0]=4 5392 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 5393 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 5394 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 5395 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 5396 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [1,1,0,0,0,0|2,0,0]=4 5397 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [1,1,0,0,0,0|2,0,0]=4 5398 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [1,1,0,0,0,0|2,0,0]=4 5399 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 5400 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 5401 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 5402 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [1,1,0,0,0,0|2,0,0]=4 5403 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 5404 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 5405 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 5406 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 5407 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 5408 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [1,1,0,0,0,0|2,0,0]=4 5409 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [1,1,0,0,0,0|2,0,0]=4 5410 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [1,1,0,0,0,0|2,0,0]=4 5411 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [1,1,0,0,0,0|2,0,0]=4 5412 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [1,1,0,0,0,0|1,0,0]=3 5413 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [1,1,0,0,0,0|2,0,0]=4 5414 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 5415 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 5416 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [1,1,0,0,0,0|1,0,0]=3 5417 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [1,1,0,0,0,0|1,0,0]=3 5418 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [1,1,0,0,0,0|1,0,0]=3 5419 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [1,1,0,0,0,0|1,0,0]=3 5420 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [1,1,0,0,0,0|1,0,0]=3 5421 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [1,1,0,0,0,0|1,0,0]=3 5422 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [1,1,0,0,0,0|1,0,0]=3 5423 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [1,1,0,0,0,0|1,0,0]=3 5424 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [1,1,0,0,0,0|1,0,0]=3 5425 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [1,1,0,0,0,0|1,0,0]=3 5426 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [1,1,0,0,0,0|1,0,0]=3 5427 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [1,1,0,0,0,0|1,0,0]=3 5428 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [1,1,0,0,0,0|1,0,1]=4 5429 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [1,1,0,0,0,0|2,0,0]=4 5430 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [1,1,0,0,0,0|2,0,0]=4 5431 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [1,1,0,0,0,0|2,0,0]=4 5432 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [1,1,0,0,0,0|2,0,0]=4 5433 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [1,1,0,0,0,0|2,0,0]=4 5434 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [1,1,0,0,0,0|2,0,0]=4 5435 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [1,1,0,0,0,0|2,0,0]=4 5436 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [1,1,0,0,0,0|2,0,0]=4 5437 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [1,1,0,0,0,0|2,0,0]=4 5438 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [1,1,0,0,0,0|2,0,0]=4 5439 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [1,1,0,0,0,0|1,0,1]=4 5440 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [1,1,0,0,0,0|1,0,1]=4 5441 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 5442 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 5443 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 5444 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 5445 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|1,0,1]=4 5446 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,1,0,0,0,0|1,0,1]=4 5447 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,1,0,0,0,0|1,0,1]=4 5448 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 5449 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 5450 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 5451 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 5452 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [1,1,0,0,0,0|1,0,1]=4 5453 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|1,0,1]=4 5454 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|1,0,1]=4 5455 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 5456 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 5457 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 5458 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 5459 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [1,1,0,0,0,0|1,0,1]=4 5460 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,1,0,0,0,0|1,0,1]=4 5461 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 5462 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 5463 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 5464 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [1,1,0,0,0,0|1,0,1]=4 5465 B10R0.91 CCCC#CC(=O)CCCF 1458a_200011218047_100011934791 [1,1,0,0,0,0|1,0,1]=4 5466 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [1,1,0,0,0,0|1,0,1]=4 5467 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [1,1,0,0,0,0|1,0,1]=4 5468 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [1,1,0,0,0,0|1,0,1]=4 5469 B10R0.91 CCCC#CC(=O)NCCC 240690a_100020643023_200011218047 [1,1,0,0,0,0|1,0,1]=4 5470 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [1,1,0,0,0,0|1,0,1]=4 5471 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [1,1,0,0,0,0|1,0,1]=4 5472 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [1,1,0,0,0,0|1,0,1]=4 5473 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [1,1,0,0,0,0|1,0,1]=4 5474 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [1,1,0,0,0,0|1,0,1]=4 5475 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [1,1,0,0,0,0|1,0,1]=4 5476 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [1,1,0,0,0,0|1,0,1]=4 5477 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [1,1,0,0,0,0|1,0,1]=4 5478 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,1,0,0,0,0|2,0,0]=4 5479 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,1,0,0,0,0|2,0,0]=4 5480 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,1,0,0,0,0|2,0,0]=4 5481 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,1,0,0,0,0|2,0,0]=4 5482 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,1,0,0,0,0|2,0,0]=4 5483 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [1,1,0,0,0,0|2,0,0]=4 5484 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,1,0,0,0,0|2,0,0]=4 5485 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,1,0,0,0,0|2,0,0]=4 5486 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,1,0,0,0,0|2,0,0]=4 5487 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,1,0,0,0,0|2,0,0]=4 5488 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [1,1,0,0,0,0|2,0,0]=4 5489 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [1,1,0,0,0,0|2,0,0]=4 5490 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 5491 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 5492 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 5493 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 5494 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [1,1,0,0,0,0|2,0,0]=4 5495 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [1,1,0,0,0,0|2,0,0]=4 5496 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [1,1,0,0,0,0|2,0,0]=4 5497 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [1,1,0,0,0,0|2,0,0]=4 5498 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [1,1,0,0,0,0|2,0,0]=4 5499 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 5500 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 5501 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 5502 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 5503 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [1,1,0,0,0,0|2,0,0]=4 5504 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [1,1,0,0,0,0|1,0,1]=4 5505 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [1,1,0,0,0,0|1,0,1]=4 5506 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,1,0,0,0,0|1,0,0]=3 5507 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,1,0,0,0,0|1,0,0]=3 5508 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,1,0,0,0,0|1,0,0]=3 5509 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|1,0,0]=3 5510 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|1,0,0]=3 5511 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|1,0,0]=3 5512 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,1,0,0,0,0|1,0,0]=3 5513 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,1,0,0,0,0|1,0,0]=3 5514 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,1,0,0,0,0|1,0,0]=3 5515 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|1,0,0]=3 5516 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|1,0,0]=3 5517 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,1,0,0,0,0|1,0,0]=3 5518 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,1,0,0,0,0|1,0,0]=3 5519 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,1,0,0,0,0|1,0,0]=3 5520 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [1,1,0,0,0,0|2,0,0]=4 5521 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [1,1,0,0,0,0|2,0,0]=4 5522 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 5523 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 5524 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 5525 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 5526 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [1,1,0,0,0,0|2,0,0]=4 5527 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [1,1,0,0,0,0|2,0,0]=4 5528 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [1,1,0,0,0,0|2,0,0]=4 5529 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [1,1,0,0,0,0|2,0,0]=4 5530 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [1,1,0,0,0,0|2,0,0]=4 5531 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [1,1,0,0,0,0|2,0,0]=4 5532 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [1,1,0,0,0,0|2,0,0]=4 5533 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 5534 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 5535 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 5536 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 5537 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 5538 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 5539 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 5540 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 5541 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 5542 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 5543 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 5544 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 5545 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 5546 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 5547 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 5548 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 5549 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [1,1,0,0,0,0|1,0,0]=3 5550 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 5551 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 5552 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 5553 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [1,1,0,0,0,0|1,0,0]=3 5554 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 5555 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 5556 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 5557 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 5558 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 5559 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [1,1,0,0,0,0|1,0,0]=3 5560 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [1,1,0,0,0,0|1,0,0]=3 5561 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [1,1,0,0,0,0|2,0,0]=4 5562 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [1,1,0,0,0,0|2,0,0]=4 5563 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [1,1,0,0,0,0|1,0,0]=3 5564 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [1,1,0,0,0,0|1,0,0]=3 5565 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [1,1,0,0,0,0|1,0,0]=3 5566 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [1,1,0,0,0,0|1,0,0]=3 5567 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [1,1,0,0,0,0|1,0,0]=3 5568 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [1,1,0,0,0,0|1,0,0]=3 5569 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 5570 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 5571 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [1,1,0,0,0,0|2,0,0]=4 5572 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 5573 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 5574 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 5575 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [1,1,0,0,0,0|2,0,0]=4 5576 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 5577 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [1,1,0,0,0,0|2,0,0]=4 5578 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [1,1,0,0,0,0|2,0,0]=4 5579 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [1,1,0,0,0,0|2,0,0]=4 5580 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [1,1,0,0,0,0|0,0,0]=2 5581 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [1,1,0,0,0,0|0,0,0]=2 5582 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [1,1,0,0,0,0|0,0,0]=2 5583 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [1,1,0,0,0,0|0,0,0]=2 5584 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [1,1,0,0,0,0|1,0,0]=3 5585 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [1,1,0,0,0,0|1,0,0]=3 5586 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [1,1,0,0,0,0|1,0,1]=4 5587 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [1,1,0,0,0,0|1,0,1]=4 5588 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [1,1,0,0,0,0|1,0,1]=4 5589 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [1,1,0,0,0,0|1,0,1]=4 5590 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [1,1,0,0,0,0|1,0,1]=4 5591 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [1,1,0,0,0,0|1,0,1]=4 5592 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [1,1,0,0,0,0|1,0,1]=4 5593 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [1,1,0,0,0,0|1,0,1]=4 5594 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [1,1,0,0,0,0|2,0,0]=4 5595 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [1,1,0,0,0,0|2,0,0]=4 5596 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [1,1,0,0,0,0|2,0,0]=4 5597 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 5598 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 5599 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 5600 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 5601 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 5602 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 5603 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 5604 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 5605 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [1,1,0,0,0,0|2,0,0]=4 5606 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [1,1,0,0,0,0|2,0,0]=4 5607 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [1,1,0,0,0,0|2,0,0]=4 5608 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [1,1,0,0,0,0|2,0,0]=4 5609 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 5610 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 5611 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 5612 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 5613 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 5614 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 5615 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 5616 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 5617 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 5618 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 5619 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 5620 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [1,1,0,0,0,0|2,0,0]=4 5621 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 5622 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 5623 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 5624 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 5625 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 5626 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [1,1,0,0,0,0|2,0,0]=4 5627 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [1,1,0,0,0,0|2,0,0]=4 5628 B10R0.91 CCCNC(=O)NCCCF 2708a_100015189416_100020643023 [1,1,0,0,0,0|2,0,0]=4 5629 B10R0.91 CCCNC(=O)NCCCF 2708a_100020643023_100015189416 [1,1,0,0,0,0|2,0,0]=4 5630 B10R0.91 CCCNC(=O)NCCCF 273464a_100015189416_100020643023 [1,1,0,0,0,0|2,0,0]=4 5631 B10R0.91 CCCNC(=O)NCCCF 273464a_100020643023_100015189416 [1,1,0,0,0,0|2,0,0]=4 5632 B10R0.91 CCCNC(=O)NCCCF 512a_100015189416_100020643023 [1,1,0,0,0,0|2,0,0]=4 5633 B10R0.91 CCCNC(=O)NCCCF 512a_100020643023_100015189416 [1,1,0,0,0,0|2,0,0]=4 5634 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [1,1,0,0,0,0|2,0,0]=4 5635 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [1,1,0,0,0,0|2,0,0]=4 5636 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [1,1,0,0,0,0|2,0,0]=4 5637 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [1,1,0,0,0,0|2,0,0]=4 5638 B10R0.91 CCCNC(=O)NCCOC 2708a_100020643023_100000209980 [1,1,0,0,0,0|2,0,0]=4 5639 B10R0.91 CCCNC(=O)NCCOC 273464a_100000209980_100020643023 [1,1,0,0,0,0|2,0,0]=4 5640 B10R0.91 CCCNC(=O)NCCOC 273464a_100020643023_100000209980 [1,1,0,0,0,0|2,0,0]=4 5641 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [1,1,0,0,0,0|2,0,0]=4 5642 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [1,1,0,0,0,0|2,0,0]=4 5643 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [1,1,0,0,0,0|2,0,0]=4 5644 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [1,1,0,0,0,0|2,0,0]=4 5645 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [1,1,0,0,0,0|2,0,0]=4 5646 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [1,1,0,0,0,0|2,0,0]=4 5647 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [1,1,0,0,0,0|2,0,0]=4 5648 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [1,1,0,0,0,0|2,0,0]=4 5649 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [1,1,0,0,0,0|2,0,0]=4 5650 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [1,1,0,0,0,0|2,0,0]=4 5651 B10R0.91 CCCNNC(=O)CSCC 22a_100000740057_100000230394 [1,1,0,0,0,0|2,0,0]=4 5652 B10R0.91 CCCNNC(=O)NCCC 273464a_100020643023_100000740057 [1,1,0,0,0,0|2,0,0]=4 5653 B10R0.91 CCCNNC(=O)NCCC 512a_100000740057_100020643023 [1,1,0,0,0,0|2,0,0]=4 5654 B10R0.91 CCCNNC(=O)NCCC 512a_100020643023_100000740057 [1,1,0,0,0,0|2,0,0]=4 5655 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [1,1,0,0,0,0|2,0,0]=4 5656 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [1,1,0,0,0,0|2,0,0]=4 5657 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [1,1,0,0,0,0|1,0,0]=3 5658 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [1,1,0,0,0,0|1,0,0]=3 5659 B10R0.91 CCCOC(=O)OCSCF 62a_100015361967_200000139673 [1,1,0,0,0,0|2,0,0]=4 5660 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [1,1,0,0,0,0|2,0,0]=4 5661 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [1,1,0,0,0,0|2,0,0]=4 5662 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [1,1,0,0,0,0|2,0,0]=4 5663 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [1,1,0,0,0,0|2,0,0]=4 5664 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [1,1,0,0,0,0|2,0,0]=4 5665 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [1,1,0,0,0,0|2,0,0]=4 5666 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [1,1,0,0,0,0|2,0,0]=4 5667 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [1,1,0,0,0,0|2,0,0]=4 5668 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [1,1,0,0,0,0|2,0,0]=4 5669 B10R0.91 CCNCC(=O)NCCOC 2230a_100000754632_100000210202 [1,1,0,0,0,0|2,0,0]=4 5670 B10R0.91 CCNCC(=O)NCCOC 2230a_100015525214_100000183275 [1,1,0,0,0,0|2,0,0]=4 5671 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [1,1,0,0,0,0|1,0,0]=3 5672 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [1,1,0,0,0,0|2,0,0]=4 5673 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [1,1,0,0,0,0|2,0,0]=4 5674 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [1,1,0,0,0,0|2,0,0]=4 5675 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [1,1,0,0,0,0|2,0,0]=4 5676 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 5677 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 5678 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 5679 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 5680 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [1,1,0,0,0,0|2,0,0]=4 5681 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [1,1,0,0,0,0|2,0,0]=4 5682 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 5683 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 5684 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [1,1,0,0,0,0|2,0,0]=4 5685 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 5686 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 5687 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 5688 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 5689 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 5690 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [1,1,0,0,0,0|1,0,0]=3 5691 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [1,1,0,0,0,0|2,0,0]=4 5692 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [1,1,0,0,0,0|2,0,0]=4 5693 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [1,1,0,0,0,0|2,0,0]=4 5694 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [1,1,0,0,0,0|2,0,0]=4 5695 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [1,1,0,0,0,0|2,0,0]=4 5696 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [1,1,0,0,0,0|2,0,0]=4 5697 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [1,1,0,0,0,0|2,0,0]=4 5698 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [1,1,0,0,0,0|2,0,0]=4 5699 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [1,1,0,0,0,0|2,0,0]=4 5700 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [1,1,0,0,0,0|2,0,0]=4 5701 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [1,1,0,0,0,0|2,0,0]=4 5702 B10R0.91 CCSCC(=O)NCCCF 11a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 5703 B10R0.91 CCSCC(=O)NCCCF 1626a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 5704 B10R0.91 CCSCC(=O)NCCCF 240690a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 5705 B10R0.91 CCSCC(=O)NCCCF 527a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 5706 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [1,1,0,0,0,0|2,0,0]=4 5707 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [1,1,0,0,0,0|2,0,0]=4 5708 B10R0.91 CCSCC(=O)NCCOC 1626a_100000209980_100000230394 [1,1,0,0,0,0|2,0,0]=4 5709 B10R0.91 CCSCC(=O)NCCOC 240690a_100000209980_100000230394 [1,1,0,0,0,0|2,0,0]=4 5710 B10R0.91 CCSCC(=O)NCCOC 527a_100000209980_100000230394 [1,1,0,0,0,0|2,0,0]=4 5711 B10R0.91 CCSCC(=O)NCCOC 62a_100000183275_100000210202 [1,1,0,0,0,0|2,0,0]=4 5712 B10R0.91 CCSCC(=O)NCCOC 62a_100000210202_100000183275 [1,1,0,0,0,0|2,0,0]=4 5713 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 5714 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 5715 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 5716 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 5717 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [1,1,0,0,0,0|1,0,0]=3 5718 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [1,1,0,0,0,0|1,0,0]=3 5719 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [1,1,0,0,0,0|2,0,0]=4 5720 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [1,1,0,0,0,0|2,0,0]=4 5721 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [1,1,0,0,0,0|2,0,0]=4 5722 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [1,1,0,0,0,0|2,0,0]=4 5723 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [1,1,0,0,0,0|2,0,0]=4 5724 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [1,1,0,0,0,0|2,0,0]=4 5725 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [1,1,0,0,0,0|2,0,0]=4 5726 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [1,1,0,0,0,0|2,0,0]=4 5727 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [1,1,0,0,0,0|2,0,0]=4 5728 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [1,1,0,0,0,0|2,0,0]=4 5729 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [1,1,0,0,0,0|2,0,0]=4 5730 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 5731 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 5732 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 5733 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 5734 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [1,1,0,0,0,0|2,0,0]=4 5735 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [1,1,0,0,0,0|2,0,0]=4 5736 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 5737 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 5738 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 5739 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 5740 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [1,1,0,0,0,0|2,0,0]=4 5741 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [1,1,0,0,0,0|2,0,0]=4 5742 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [1,1,0,0,0,0|2,0,0]=4 5743 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [1,1,0,0,0,0|2,0,0]=4 5744 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [1,1,0,0,0,0|2,0,0]=4 5745 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [1,1,0,0,0,0|2,0,0]=4 5746 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [1,1,0,0,0,0|2,0,0]=4 5747 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [1,1,0,0,0,0|2,0,0]=4 5748 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [1,1,0,0,0,0|2,0,0]=4 5749 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [1,1,0,0,0,0|2,0,0]=4 5750 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [1,1,0,0,0,0|2,0,0]=4 5751 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [1,1,0,0,0,0|2,0,0]=4 5752 B10R0.91 COCCOC(=O)CSCF 62a_100015361967_200000040189 [1,1,0,0,0,0|2,0,0]=4 5753 B10R0.91 COCCOC(=O)CSCF 62a_200000040189_100015361967 [1,1,0,0,0,0|2,0,0]=4 5754 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [1,1,0,0,0,0|2,0,0]=4 5755 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [1,1,0,0,0,0|2,0,0]=4 5756 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [1,1,0,0,0,0|2,0,0]=4 5757 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 5758 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 5759 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 5760 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 5761 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [1,1,0,0,0,0|2,0,0]=4 5762 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [1,1,0,0,0,0|2,0,0]=4 5763 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [1,1,0,0,0,0|2,0,0]=4 5764 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [1,1,0,0,0,0|2,0,0]=4 5765 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [1,1,0,0,0,0|2,0,0]=4 5766 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 5767 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 5768 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 5769 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 5770 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [1,1,0,0,0,0|2,0,0]=4 5771 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [1,1,0,0,0,0|2,0,0]=4 5772 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [1,1,0,0,0,0|2,0,0]=4 5773 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [1,1,0,0,0,0|2,0,0]=4 5774 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [1,1,0,0,0,0|2,0,0]=4 5775 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 5776 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 5777 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 5778 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 5779 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 5780 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 5781 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 5782 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 5783 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [1,1,0,0,0,0|2,0,0]=4 5784 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 5785 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 5786 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 5787 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 5788 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 5789 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 5790 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,1,0,0,0,0|1,0,0]=3 5791 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [1,1,0,0,0,0|2,0,0]=4 5792 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [1,1,0,0,0,0|2,0,0]=4 5793 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [1,1,0,0,0,0|2,0,0]=4 5794 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [1,1,0,0,0,0|2,0,0]=4 5795 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [1,1,0,0,0,0|2,0,0]=4 5796 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [1,1,0,0,0,0|2,0,0]=4 5797 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 5798 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 5799 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 5800 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 5801 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [1,1,0,0,0,0|2,0,0]=4 5802 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [1,1,0,0,0,0|2,0,0]=4 5803 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 5804 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 5805 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 5806 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 5807 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 5808 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 5809 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 5810 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [1,1,0,0,0,0|2,0,0]=4 5811 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [1,1,0,0,0,0|2,0,0]=4 5812 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [1,1,0,0,0,0|2,0,0]=4 5813 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [1,1,0,0,0,0|2,0,0]=4 5814 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [1,1,0,0,0,0|2,0,0]=4 5815 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [1,1,0,0,0,0|0,0,1]=3 5816 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [1,1,0,0,0,0|1,0,1]=4 5817 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [1,1,0,0,0,0|1,0,0]=3 5818 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [1,1,0,0,0,0|1,0,0]=3 5819 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [1,1,0,0,0,0|1,0,1]=4 5820 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [1,1,0,0,0,0|1,0,1]=4 5821 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [1,1,0,0,0,0|1,0,1]=4 5822 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [1,1,0,0,0,0|1,0,1]=4 5823 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [1,1,0,0,0,0|1,0,1]=4 5824 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [1,1,0,0,0,0|1,0,1]=4 5825 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [1,1,0,0,0,0|1,0,1]=4 5826 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [1,1,0,0,0,0|2,0,0]=4 5827 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [1,1,0,0,0,0|2,0,0]=4 5828 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [1,1,0,0,0,0|2,0,0]=4 5829 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [1,1,0,0,0,0|2,0,0]=4 5830 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 5831 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 5832 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 5833 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 5834 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 5835 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 5836 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 5837 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 5838 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 5839 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 5840 B10R0.156 CCCCNS(=O)(=O)CCC 270084a_100000102301_100000211391 [1,1,0,0,0,0|2,0,0]=4 5841 B10R0.156 CCCCNS(=O)(=O)CCC 274078a_100000102301_100000211391 [1,1,0,0,0,0|2,0,0]=4 5842 B10R0.156 CCCCNS(=O)(=O)CCC 40a_100000102301_100000054278 [1,1,0,0,0,0|2,0,0]=4 5843 B10R0.156 CCCCOC(C)(C)CCC 7a_100000748436_100000210211 [1,1,0,0,0,0|1,0,1]=4 5844 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [0,1,0,0,1,0|1,0,1]=4 5845 B10R0.26 CC(C)C(=O)CC(=O)CCO 1458a_100011216618_100000753385 [0,1,0,0,1,0|1,0,1]=4 5846 B10R0.26 CC(C)C(C)NC(=O)CCO 240690a_100000211541_100011216618 [0,1,0,0,1,0|2,0,0]=4 5847 B10R0.26 CC(C)N(C)CC(=O)CCF 1458a_100000743827_100011217306 [0,1,0,0,1,0|2,0,0]=4 5848 B10R0.26 CC(C)N(C)CC(=O)CCO 1458a_100000743827_100000211926 [0,1,0,0,1,0|2,0,0]=4 5849 B10R0.26 CC(CC(=O)CCF)N(C)C 1458a_100011311895_100011217306 [0,1,0,0,1,0|2,0,0]=4 5850 B10R0.26 CC(CC(=O)CCO)N(C)C 1458a_100011311895_100000211926 [0,1,0,0,1,0|2,0,0]=4 5851 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,1,0,0,1,0|0,0,1]=3 5852 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,1,0,0,1,0|0,0,1]=3 5853 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,1,0,0,1,0|1,0,1]=4 5854 B10R0.26 CCCC(=O)CC(=O)N(C)C 1458a_100000211992_100000185267 [0,1,0,0,1,0|1,0,1]=4 5855 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,1,0,0,1,0|1,0,1]=4 5856 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,1,0,0,1,0|1,0,1]=4 5857 B10R0.26 CCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210303 [0,1,0,0,1,0|1,0,0]=3 5858 B10R0.26 CCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210303 [0,1,0,0,1,0|1,0,0]=3 5859 B10R0.26 CCCC(=O)CN(C)C(C)C 269982a_200000211004_100000747444 [0,1,0,0,1,0|1,0,0]=3 5860 B10R0.26 CCCC(=O)NC(C)C(C)C 11a_100000211541_100000211992 [0,1,0,0,1,0|1,0,0]=3 5861 B10R0.26 CCCC(=O)NC(C)C(C)C 1626a_100000211541_100000211992 [0,1,0,0,1,0|1,0,0]=3 5862 B10R0.26 CCCC(=O)NC(C)C(C)C 240690a_100000211541_100000211992 [0,1,0,0,1,0|1,0,0]=3 5863 B10R0.26 CCCC(=O)NC(C)C(C)C 527a_100000211541_100000211992 [0,1,0,0,1,0|1,0,0]=3 5864 B10R0.26 CCCC(C)OC(C)C(C)C 7a_100000748068_100000766640 [0,1,0,0,1,0|1,0,1]=4 5865 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [0,1,0,0,1,0|1,0,1]=4 5866 B10R0.26 CCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183381 [0,1,0,0,1,0|1,0,1]=4 5867 B10R0.26 CCNC(=O)CC(C)N(C)C 240690a_100015525214_100011311895 [0,1,0,0,1,0|2,0,0]=4 5868 B10R0.26 CCNC(=O)CN(C)C(C)C 11a_100015525214_100000743827 [0,1,0,0,1,0|2,0,0]=4 5869 B10R0.26 CCNC(=O)CN(C)C(C)C 2230a_100000741943_100000210206 [0,1,0,0,1,0|2,0,0]=4 5870 B10R0.26 CCNC(=O)CN(C)C(C)C 240690a_100015525214_100000743827 [0,1,0,0,1,0|2,0,0]=4 5871 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_100000741943_100000210206 [0,1,0,0,1,0|2,0,0]=4 5872 B10R0.26 CCNC(=O)CN(C)C(C)C 269982a_200000211004_100000183381 [0,1,0,0,1,0|2,0,0]=4 5873 B10R0.26 CCNC(=O)CN(C)C(C)C 527a_100015525214_100000743827 [0,1,0,0,1,0|2,0,0]=4 5874 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100000211541_100015525214 [0,1,0,0,1,0|2,0,0]=4 5875 B10R0.26 CCNC(=O)NC(C)C(C)C 2708a_100015525214_100000211541 [0,1,0,0,1,0|2,0,0]=4 5876 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100000211541_100015525214 [0,1,0,0,1,0|2,0,0]=4 5877 B10R0.26 CCNC(=O)NC(C)C(C)C 273464a_100015525214_100000211541 [0,1,0,0,1,0|2,0,0]=4 5878 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100000211541_100015525214 [0,1,0,0,1,0|2,0,0]=4 5879 B10R0.26 CCNC(=O)NC(C)C(C)C 512a_100015525214_100000211541 [0,1,0,0,1,0|2,0,0]=4 5880 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000188475 [0,1,0,0,1,0|1,0,1]=4 5881 B10R0.26 CCOC(=O)CC(=O)C(C)C 1458a_100000243816_100000210206 [0,1,0,0,1,0|1,0,1]=4 5882 B10R0.26 CCOC(=O)CC(C)N(C)C 2230a_100102631434_100009817359 [0,1,0,0,1,0|2,0,0]=4 5883 B10R0.26 CCOC(=O)CC(C)N(C)C 269982a_100102631434_100009817359 [0,1,0,0,1,0|2,0,0]=4 5884 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000220588_100000210206 [0,1,0,0,1,0|2,0,0]=4 5885 B10R0.26 CCOC(=O)CN(C)C(C)C 2230a_100000717205_200000210301 [0,1,0,0,1,0|2,0,0]=4 5886 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_100000717205_200000210301 [0,1,0,0,1,0|2,0,0]=4 5887 B10R0.26 CCOC(=O)CN(C)C(C)C 269982a_200000211004_100000188475 [0,1,0,0,1,0|2,0,0]=4 5888 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 2230a_100000717205_200025704644 [0,1,0,0,1,0|2,0,0]=4 5889 B10R0.26 CCOC(=O)CN([13CH3])C(C)C 269982a_100000717205_200025704644 [0,1,0,0,1,0|2,0,0]=4 5890 B10R0.26 CCOC(=O)OC(C)N(C)C 269982a_100102631434_100000036008 [0,1,0,0,1,0|2,0,0]=4 5891 B10R0.26 COCC(=O)CC(=O)C(C)C 1458a_100000210968_100000753385 [0,1,0,0,1,0|1,0,1]=4 5892 B10R0.26 COCC(=O)NC(C)C(C)C 11a_100000211541_100000210968 [0,1,0,0,1,0|2,0,0]=4 5893 B10R0.26 COCC(=O)NC(C)C(C)C 1626a_100000211541_100000210968 [0,1,0,0,1,0|2,0,0]=4 5894 B10R0.26 COCC(=O)NC(C)C(C)C 240690a_100000211541_100000210968 [0,1,0,0,1,0|2,0,0]=4 5895 B10R0.26 COCC(=O)NC(C)C(C)C 527a_100000211541_100000210968 [0,1,0,0,1,0|2,0,0]=4 5896 B10R0.26 CSCC(=O)CC(=O)C(C)C 1458a_100000184570_100000753385 [0,1,0,0,1,0|1,0,1]=4 5897 B10R0.26 CSCC(=O)NC(C)C(C)C 11a_100000211541_100000184570 [0,1,0,0,1,0|2,0,0]=4 5898 B10R0.26 CSCC(=O)NC(C)C(C)C 1626a_100000211541_100000184570 [0,1,0,0,1,0|2,0,0]=4 5899 B10R0.26 CSCC(=O)NC(C)C(C)C 240690a_100000211541_100000184570 [0,1,0,0,1,0|2,0,0]=4 5900 B10R0.26 CSCC(=O)NC(C)C(C)C 527a_100000211541_100000184570 [0,1,0,0,1,0|2,0,0]=4 5901 B10R0.27 C#CC(CCC)OCC(C)C 34a_200011217317_100000210624 [0,1,0,0,1,0|1,0,1]=4 5902 B10R0.27 C#CC(CCC)OCC(C)C 7a_200011217317_100000210760 [0,1,0,0,1,0|1,0,1]=4 5903 B10R0.27 C=CC(CCC)OCC(C)C 34a_100011216692_100000210624 [0,1,0,0,1,0|1,0,1]=4 5904 B10R0.27 C=CC(CCC)OCC(C)C 7a_100011216692_100000210760 [0,1,0,0,1,0|1,0,1]=4 5905 B10R0.27 CCCC(C#N)OCC(C)C 34a_100000686963_100000210624 [0,1,0,0,1,0|1,0,1]=4 5906 B10R0.27 CCCC(C#N)OCC(C)C 7a_100000686963_100000210760 [0,1,0,0,1,0|1,0,1]=4 5907 B10R0.27 CCCC(CC)OCC(C)C 34a_100000687864_100000210624 [0,1,0,0,1,0|1,0,1]=4 5908 B10R0.27 CCCC(CC)OCC(C)C 7a_100000687864_100000210760 [0,1,0,0,1,0|1,0,1]=4 5909 B10R0.27 CCCN(CC)CCC(C)C 2230a_100000207693_100000210303 [0,1,0,0,1,0|2,0,0]=4 5910 B10R0.27 CCCN(CC)CCC(C)C 2230a_100000226822_100000210312 [0,1,0,0,1,0|2,0,0]=4 5911 B10R0.27 CCCN(CC)CCC(C)C 269982a_100000207693_100000210303 [0,1,0,0,1,0|2,0,0]=4 5912 B10R0.27 CCCN(CC)CCC(C)C 269982a_100000226822_100000210312 [0,1,0,0,1,0|2,0,0]=4 5913 B10R0.32 C#CCC(=O)C(C)CC(C)C 1458a_100011220946_100000731052 [0,1,0,0,1,0|0,0,2]=4 5914 B10R0.32 C#CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000184674 [0,1,0,0,1,0|0,0,2]=4 5915 B10R0.32 C=CCC(=O)C(C)CC(C)C 1458a_100000210193_100000731052 [0,1,0,0,1,0|0,0,2]=4 5916 B10R0.32 C=CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210623 [0,1,0,0,1,0|0,0,2]=4 5917 B10R0.32 CC#CC(=O)C(C)CC(C)C 1458a_100000763181_100000731052 [0,1,0,0,1,0|0,0,2]=4 5918 B10R0.32 CC(C)CC(C)C(=O)CC#N 1458a_100051588842_100000731052 [0,1,0,0,1,0|1,0,1]=4 5919 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,1,0,0,1,0|1,0,0]=3 5920 B10R0.32 CC(C)CN(C)C(=O)CCO 240690a_100000747067_100011216618 [0,1,0,0,1,0|2,0,0]=4 5921 B10R0.32 CC(C)C[C@H](O)C(=O)CC#N 1458a_100012027011_100011214920 [0,1,0,0,1,0|1,0,1]=4 5922 B10R0.32 CC(C)C[C@H](O)C(=O)CCF 1458a_100012027011_100011217306 [0,1,0,0,1,0|1,0,0]=3 5923 B10R0.32 CC(C)C[C@H](O)C(=O)CCO 1458a_100012027011_100000211926 [0,1,0,0,1,0|1,0,0]=3 5924 B10R0.32 CC(CN(C)C)C(=O)CCF 1458a_200015186601_100011217306 [0,1,0,0,1,0|2,0,0]=4 5925 B10R0.32 CC(CN(C)C)C(=O)CCO 1458a_200015186601_100000211926 [0,1,0,0,1,0|2,0,0]=4 5926 B10R0.32 CC=CC(=O)C(C)CC(C)C 1458a_100000210699_100000731052 [0,1,0,0,1,0|0,0,2]=4 5927 B10R0.32 CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210303 [0,1,0,0,1,0|1,0,1]=4 5928 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,1,0,0,1,0|0,0,0]=2 5929 B10R0.32 CCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210303 [0,1,0,0,1,0|1,0,0]=3 5930 B10R0.32 CCCC(=O)N(C)CC(C)C 11a_100000747067_100000211992 [0,1,0,0,1,0|1,0,0]=3 5931 B10R0.32 CCCC(=O)N(C)CC(C)C 1626a_100000747067_100000211992 [0,1,0,0,1,0|1,0,0]=3 5932 B10R0.32 CCCC(=O)N(C)CC(C)C 240690a_100000747067_100000211992 [0,1,0,0,1,0|1,0,0]=3 5933 B10R0.32 CCCC(=O)N(C)CC(C)C 527a_100000747067_100000211992 [0,1,0,0,1,0|1,0,0]=3 5934 B10R0.32 CCCC(=O)N(C)CC(C)O 240690a_100000227577_100000211992 [0,1,0,0,1,0|2,0,0]=4 5935 B10R0.32 CCCC(=O)N(C)CC(C)O 527a_100000227577_100000211992 [0,1,0,0,1,0|2,0,0]=4 5936 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,1,0,0,1,0|0,0,0]=2 5937 B10R0.32 CCCN(C)C(C)CC(C)C 2230a_100000745462_100000210303 [0,1,0,0,1,0|2,0,0]=4 5938 B10R0.32 CCCN(C)C(C)CC(C)C 2230a_100000747261_100000731052 [0,1,0,0,1,0|2,0,0]=4 5939 B10R0.32 CCCN(C)C(C)CC(C)C 269982a_100000745462_100000210303 [0,1,0,0,1,0|2,0,0]=4 5940 B10R0.32 CCCN(C)C(C)CC(C)C 269982a_100000747261_100000731052 [0,1,0,0,1,0|2,0,0]=4 5941 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [0,1,0,0,1,0|1,0,1]=4 5942 B10R0.32 CCNC(=O)C(C)CN(C)C 240690a_100015525214_200015186601 [0,1,0,0,1,0|2,0,0]=4 5943 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100000736553_100000210206 [0,1,0,0,1,0|2,0,0]=4 5944 B10R0.32 CCNC(=O)C(C)NC(C)C 2230a_100138425928_100000230173 [0,1,0,0,1,0|2,0,0]=4 5945 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100000736553_100000210206 [0,1,0,0,1,0|2,0,0]=4 5946 B10R0.32 CCNC(=O)C(C)NC(C)C 34a_100138425928_100000230173 [0,1,0,0,1,0|2,0,0]=4 5947 B10R0.32 CCNC(=O)C(C)OC(C)C 34a_100000212225_100000230173 [0,1,0,0,1,0|2,0,0]=4 5948 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000210206_100000230173 [0,1,0,0,1,0|2,0,0]=4 5949 B10R0.32 CCNC(=O)C(C)SC(C)C 62a_100000230173_100000210206 [0,1,0,0,1,0|2,0,0]=4 5950 B10R0.32 CCNC(=O)N(C)CC(C)C 2708a_100015525214_100000747067 [0,1,0,0,1,0|2,0,0]=4 5951 B10R0.32 CCNC(=O)N(C)CC(C)C 273464a_100015525214_100000747067 [0,1,0,0,1,0|2,0,0]=4 5952 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,1,0,0,1,0|1,0,0]=3 5953 B10R0.32 CCOC(=O)C(C)NC(C)C 2230a_100138425928_100011215307 [0,1,0,0,1,0|2,0,0]=4 5954 B10R0.32 CCOC(=O)C(C)NC(C)C 34a_100138425928_100011216346 [0,1,0,0,1,0|2,0,0]=4 5955 B10R0.32 CCOC(=O)C(C)OC(C)C 34a_100000212225_100011216346 [0,1,0,0,1,0|2,0,0]=4 5956 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100000210206_100011216346 [0,1,0,0,1,0|2,0,0]=4 5957 B10R0.32 CCOC(=O)C(C)SC(C)C 62a_100011216346_100000210206 [0,1,0,0,1,0|2,0,0]=4 5958 B10R0.32 CCOC(=O)C(F)NC(C)C 2230a_100138425928_100000760018 [0,1,0,0,1,0|2,0,0]=4 5959 B10R0.32 CCOC(=O)C(F)NC(C)C 34a_100138425928_100000760018 [0,1,0,0,1,0|2,0,0]=4 5960 B10R0.32 CCOC(=O)C(F)OC(C)C 34a_100000212225_100000760018 [0,1,0,0,1,0|2,0,0]=4 5961 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000210206_100000760018 [0,1,0,0,1,0|2,0,0]=4 5962 B10R0.32 CCOC(=O)C(F)SC(C)C 62a_100000760018_100000210206 [0,1,0,0,1,0|2,0,0]=4 5963 B10R0.32 CCOC(=O)[C@H](C)OC(C)C 7a_100000751109_100000210206 [0,1,0,0,1,0|2,0,0]=4 5964 B10R0.32 CCSC(=O)[C@H](C)NC(C)C 2230a_100103168634_100000210206 [0,1,0,0,1,0|2,0,0]=4 5965 B10R0.32 CNNC(=O)[C@@H](O)CC(C)C 22a_100016993582_100012027011 [0,1,0,0,1,0|2,0,0]=4 5966 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,1,0,0,1,0|1,0,0]=3 5967 B10R0.32 COCC(=O)N(C)CC(C)C 11a_100000747067_100000210968 [0,1,0,0,1,0|2,0,0]=4 5968 B10R0.32 COCC(=O)N(C)CC(C)C 1626a_100000747067_100000210968 [0,1,0,0,1,0|2,0,0]=4 5969 B10R0.32 COCC(=O)N(C)CC(C)C 240690a_100000747067_100000210968 [0,1,0,0,1,0|2,0,0]=4 5970 B10R0.32 COCC(=O)N(C)CC(C)C 527a_100000747067_100000210968 [0,1,0,0,1,0|2,0,0]=4 5971 B10R0.32 CSCC(=O)C(C)CC(C)C 1458a_100000184570_100000731052 [0,1,0,0,1,0|1,0,0]=3 5972 B10R0.32 CSCC(=O)N(C)CC(C)C 11a_100000747067_100000184570 [0,1,0,0,1,0|2,0,0]=4 5973 B10R0.32 CSCC(=O)N(C)CC(C)C 1626a_100000747067_100000184570 [0,1,0,0,1,0|2,0,0]=4 5974 B10R0.32 CSCC(=O)N(C)CC(C)C 240690a_100000747067_100000184570 [0,1,0,0,1,0|2,0,0]=4 5975 B10R0.32 CSCC(=O)N(C)CC(C)C 527a_100000747067_100000184570 [0,1,0,0,1,0|2,0,0]=4 5976 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,1,0,0,1,0|0,0,1]=3 5977 B10R0.96 C=C(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000748629 [0,1,0,0,1,0|1,0,1]=4 5978 B10R0.96 C=C(C)CC(=O)COC(C)C 1458a_100000745533_100000748629 [0,1,0,0,1,0|1,0,1]=4 5979 B10R0.96 C=C(C)CC(=O)CSC(C)C 1458a_100000241585_100000748629 [0,1,0,0,1,0|1,0,1]=4 5980 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,1,0,0,1,0|0,0,2]=4 5981 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,1,0,0,1,0|0,0,2]=4 5982 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,1,0,0,1,0|0,0,2]=4 5983 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,1,0,0,1,0|0,0,2]=4 5984 B10R0.96 C=C(F)CC(=O)CCC(C)C 1458a_100000181311_100009893438 [0,1,0,0,1,0|0,0,2]=4 5985 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,1,0,0,1,0|0,0,2]=4 5986 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,1,0,0,1,0|0,0,2]=4 5987 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,1,0,0,1,0|0,0,2]=4 5988 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100000210554_100000761012 [0,1,0,0,1,0|0,0,2]=4 5989 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100011220947_100000210624 [0,1,0,0,1,0|0,0,2]=4 5990 B10R0.96 CC(=CCC(=O)CC(C)O)C 1458a_100011220947_100011218427 [0,1,0,0,1,0|0,0,2]=4 5991 B10R0.96 CC(=CCC(=O)C[C@@H](C)O)C 1458a_100011933948_100000761012 [0,1,0,0,1,0|0,0,2]=4 5992 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,1,0,0,1,0|1,0,1]=4 5993 B10R0.96 CC(C)C=CC(=O)CC(C)C 1458a_100016268746_100000210624 [0,1,0,0,1,0|0,0,2]=4 5994 B10R0.96 CC(C)C=CC(=O)CC(C)O 1458a_100016268746_100011218427 [0,1,0,0,1,0|0,0,2]=4 5995 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,1,0,0,1,0|1,0,0]=3 5996 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [0,1,0,0,1,0|1,0,0]=3 5997 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [0,1,0,0,1,0|1,0,0]=3 5998 B10R0.96 CC(C)CC(=O)CSC(C)C 1458a_100000241585_100000210624 [0,1,0,0,1,0|1,0,0]=3 5999 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,1,0,0,1,0|2,0,0]=4 6000 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,1,0,0,1,0|2,0,0]=4 6001 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,1,0,0,1,0|2,0,0]=4 6002 B10R0.96 CC(C)CC(=O)NNC(C)C 22a_100000741168_100000210554 [0,1,0,0,1,0|2,0,0]=4 6003 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,1,0,0,1,0|1,0,1]=4 6004 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,1,0,0,1,0|1,0,1]=4 6005 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,1,0,0,1,0|1,0,1]=4 6006 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,1,0,0,1,0|0,0,0]=2 6007 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,1,0,0,1,0|0,0,0]=2 6008 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,1,0,0,1,0|0,0,0]=2 6009 B10R0.96 CC(C)CCC(=O)CC(F)F 1458a_100000181311_100011934356 [0,1,0,0,1,0|1,0,0]=3 6010 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,1,0,0,1,0|1,0,0]=3 6011 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,1,0,0,1,0|0,0,0]=2 6012 B10R0.96 CC(C)CCC(=O)C[N+](=O)[O-] 1458a_100000181311_100000761209 [0,1,0,0,1,0|2,0,0]=4 6013 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,1,0,0,1,0|1,0,0]=3 6014 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,1,0,0,1,0|1,0,0]=3 6015 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,1,0,0,1,0|1,0,0]=3 6016 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,1,0,0,1,0|1,0,0]=3 6017 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,1,0,0,1,0|1,0,0]=3 6018 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000742789_100000210760 [0,1,0,0,1,0|2,0,0]=4 6019 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000747067_100000210312 [0,1,0,0,1,0|2,0,0]=4 6020 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000742789_100000210624 [0,1,0,0,1,0|2,0,0]=4 6021 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000747067_100000210312 [0,1,0,0,1,0|2,0,0]=4 6022 B10R0.96 CC(C)CCN(C)CC(C)C 270004a_100000742789_100000210432 [0,1,0,0,1,0|2,0,0]=4 6023 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000227577_100000210312 [0,1,0,0,1,0|2,0,0]=4 6024 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000742789_100011218427 [0,1,0,0,1,0|2,0,0]=4 6025 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000227577_100000210312 [0,1,0,0,1,0|2,0,0]=4 6026 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000742789_100011218427 [0,1,0,0,1,0|2,0,0]=4 6027 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 2230a_100000742789_100009817552 [0,1,0,0,1,0|2,0,0]=4 6028 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 269982a_100000742789_100009817552 [0,1,0,0,1,0|2,0,0]=4 6029 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [0,1,0,0,1,0|1,0,0]=3 6030 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [0,1,0,0,1,0|1,0,0]=3 6031 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [0,1,0,0,1,0|1,0,0]=3 6032 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [0,1,0,0,1,0|1,0,0]=3 6033 B10R0.96 CC(C)CNC(=O)CN(C)C 11a_100000210953_100000750896 [0,1,0,0,1,0|2,0,0]=4 6034 B10R0.96 CC(C)CNC(=O)CN(C)C 2230a_100102631434_100000183291 [0,1,0,0,1,0|2,0,0]=4 6035 B10R0.96 CC(C)CNC(=O)CN(C)C 240690a_100000210953_100000750896 [0,1,0,0,1,0|2,0,0]=4 6036 B10R0.96 CC(C)CNC(=O)CN(C)C 269982a_100102631434_100000183291 [0,1,0,0,1,0|2,0,0]=4 6037 B10R0.96 CC(C)CNC(=O)CN(C)C 527a_100000210953_100000750896 [0,1,0,0,1,0|2,0,0]=4 6038 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,1,0,0,1,0|1,0,0]=3 6039 B10R0.96 CC(C)CNC(=O)C[S+](C)C 11a_100000210953_200159257847 [0,1,0,0,1,0|2,0,0]=4 6040 B10R0.96 CC(C)CNC(=O)C[S+](C)C 1626a_100000210953_200159257847 [0,1,0,0,1,0|2,0,0]=4 6041 B10R0.96 CC(C)CNC(=O)C[S+](C)C 240690a_100000210953_200159257847 [0,1,0,0,1,0|2,0,0]=4 6042 B10R0.96 CC(C)CNC(=O)C[S+](C)C 527a_100000210953_200159257847 [0,1,0,0,1,0|2,0,0]=4 6043 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100000210953_100138425928 [0,1,0,0,1,0|2,0,0]=4 6044 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100138425928_100000210953 [0,1,0,0,1,0|2,0,0]=4 6045 B10R0.96 CC(C)CNC(=O)NC(C)C 273464a_100138425928_100000210953 [0,1,0,0,1,0|2,0,0]=4 6046 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100000210953_100138425928 [0,1,0,0,1,0|2,0,0]=4 6047 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100138425928_100000210953 [0,1,0,0,1,0|2,0,0]=4 6048 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000210257_100000731052 [0,1,0,0,1,0|1,0,1]=4 6049 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000211805_100000210624 [0,1,0,0,1,0|1,0,1]=4 6050 B10R0.96 CC(C)COC(C)CC(C)C 7a_100000211805_100000210760 [0,1,0,0,1,0|1,0,1]=4 6051 B10R0.96 CC(C)NC(=O)CCN(C)C 11a_100138425928_100000689311 [0,1,0,0,1,0|2,0,0]=4 6052 B10R0.96 CC(C)NC(=O)CCN(C)C 2230a_100102631434_100000737564 [0,1,0,0,1,0|2,0,0]=4 6053 B10R0.96 CC(C)NC(=O)CCN(C)C 240690a_100138425928_100000689311 [0,1,0,0,1,0|2,0,0]=4 6054 B10R0.96 CC(C)NC(=O)CCN(C)C 269982a_100102631434_100000737564 [0,1,0,0,1,0|2,0,0]=4 6055 B10R0.96 CC(C)NC(=O)CCN(C)C 527a_100138425928_100000689311 [0,1,0,0,1,0|2,0,0]=4 6056 B10R0.96 CC(C)NC(=O)CC[S+](C)C 11a_100138425928_100009452791 [0,1,0,0,1,0|2,0,0]=4 6057 B10R0.96 CC(C)NC(=O)CC[S+](C)C 1626a_100138425928_100009452791 [0,1,0,0,1,0|2,0,0]=4 6058 B10R0.96 CC(C)NC(=O)CC[S+](C)C 240690a_100138425928_100009452791 [0,1,0,0,1,0|2,0,0]=4 6059 B10R0.96 CC(C)NC(=O)COC(C)C 11a_100138425928_100000745533 [0,1,0,0,1,0|2,0,0]=4 6060 B10R0.96 CC(C)NC(=O)COC(C)C 1626a_100138425928_100000745533 [0,1,0,0,1,0|2,0,0]=4 6061 B10R0.96 CC(C)NC(=O)COC(C)C 240690a_100138425928_100000745533 [0,1,0,0,1,0|2,0,0]=4 6062 B10R0.96 CC(C)NC(=O)COC(C)C 34a_100000212225_100000183996 [0,1,0,0,1,0|2,0,0]=4 6063 B10R0.96 CC(C)NC(=O)COC(C)C 527a_100138425928_100000745533 [0,1,0,0,1,0|2,0,0]=4 6064 B10R0.96 CC(C)NC(=O)CSC(C)C 11a_100138425928_100000241585 [0,1,0,0,1,0|2,0,0]=4 6065 B10R0.96 CC(C)NC(=O)CSC(C)C 1626a_100138425928_100000241585 [0,1,0,0,1,0|2,0,0]=4 6066 B10R0.96 CC(C)NC(=O)CSC(C)C 240690a_100138425928_100000241585 [0,1,0,0,1,0|2,0,0]=4 6067 B10R0.96 CC(C)NC(=O)CSC(C)C 527a_100138425928_100000241585 [0,1,0,0,1,0|2,0,0]=4 6068 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000183996_100000210206 [0,1,0,0,1,0|2,0,0]=4 6069 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000210206_100000183996 [0,1,0,0,1,0|2,0,0]=4 6070 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100000168517_100000210206 [0,1,0,0,1,0|2,0,0]=4 6071 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100138425928_100000183996 [0,1,0,0,1,0|2,0,0]=4 6072 B10R0.96 CC(C)NCC(=O)NC(C)C 34a_100138425928_100000183996 [0,1,0,0,1,0|2,0,0]=4 6073 B10R0.96 CC(C)NCC(=O)OC(C)C 2230a_100138425928_100011215430 [0,1,0,0,1,0|2,0,0]=4 6074 B10R0.96 CC(C)NCC(=O)OC(C)C 34a_100138425928_100011215430 [0,1,0,0,1,0|2,0,0]=4 6075 B10R0.96 CC(C)NNC(=O)C[C@@H](C)O 22a_100000741168_100011933948 [0,1,0,0,1,0|2,0,0]=4 6076 B10R0.96 CC(C)OC(=O)CCN(C)C 2230a_100102631434_100000760027 [0,1,0,0,1,0|2,0,0]=4 6077 B10R0.96 CC(C)OC(=O)CCN(C)C 269982a_100102631434_100000760027 [0,1,0,0,1,0|2,0,0]=4 6078 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100000210206_100011215430 [0,1,0,0,1,0|2,0,0]=4 6079 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100011215430_100000210206 [0,1,0,0,1,0|2,0,0]=4 6080 B10R0.96 CC(C)OC(=O)OCN(C)C 269982a_100102631434_100010125566 [0,1,0,0,1,0|2,0,0]=4 6081 B10R0.96 CC(C)OCC(=O)CC(F)F 1458a_100000745533_100011934356 [0,1,0,0,1,0|2,0,0]=4 6082 B10R0.96 CC(C)OCC(=O)OC(C)C 34a_100000212225_100011215430 [0,1,0,0,1,0|2,0,0]=4 6083 B10R0.96 CC(C)SCC(=O)CC(F)F 1458a_100000241585_100011934356 [0,1,0,0,1,0|2,0,0]=4 6084 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,1,0,0,1,0|1,0,0]=3 6085 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,1,0,0,1,0|1,0,0]=3 6086 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,1,0,0,1,0|1,0,0]=3 6087 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,1,0,0,1,0|2,0,0]=4 6088 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,1,0,0,1,0|1,0,0]=3 6089 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,1,0,0,1,0|2,0,0]=4 6090 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,1,0,0,1,0|2,0,0]=4 6091 B10R0.96 CC(O)CNC(=O)C[C@@H](C)O 240690a_100000210904_100011933948 [0,1,0,0,1,0|2,0,0]=4 6092 B10R0.96 C[S+](C)CCC(=O)CC(F)F 1458a_100009452791_100011934356 [0,1,0,0,1,0|2,0,0]=4 6093 B10R0.105 CCCC(C)(C)OCC(C)C 7a_100000748436_100000210760 [0,1,0,0,1,0|1,0,1]=4 6094 B10R0.105 CCCS(=O)(=O)NCC(C)C 270084a_100000210953_100000211391 [0,1,0,0,1,0|2,0,0]=4 6095 B10R0.105 CCCS(=O)(=O)NCC(C)C 274078a_100000210953_100000211391 [0,1,0,0,1,0|2,0,0]=4 6096 B10R0.105 CCCS(=O)(=O)NCC(C)C 40a_100000210953_100000054278 [0,1,0,0,1,0|2,0,0]=4 6097 B10R0.105 CCNS(=O)(=O)CCC(C)C 270084a_100015525214_100000750698 [0,1,0,0,1,0|2,0,0]=4 6098 B10R0.105 CCNS(=O)(=O)CCC(C)C 274078a_100015525214_100000750698 [0,1,0,0,1,0|2,0,0]=4 6099 B10R0.109 C#CCC(=O)CCC(C)(C)C 1458a_100000757465_100000184674 [0,1,0,0,1,0|0,0,2]=4 6100 B10R0.109 C#CCC(=O)CCC(C)(C)C 1458a_100011220946_100000755188 [0,1,0,0,1,0|0,0,2]=4 6101 B10R0.109 C=CCC(=O)CCC(C)(C)C 1458a_100000210193_100000755188 [0,1,0,0,1,0|0,0,2]=4 6102 B10R0.109 C=CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210623 [0,1,0,0,1,0|0,0,2]=4 6103 B10R0.109 CC#CC(=O)CCC(C)(C)C 1458a_100000763181_100000755188 [0,1,0,0,1,0|0,0,2]=4 6104 B10R0.109 CC(C)(C)CCC(=O)CC#N 1458a_100000757465_100011214920 [0,1,0,0,1,0|1,0,1]=4 6105 B10R0.109 CC(C)(C)CCC(=O)CC#N 1458a_100051588842_100000755188 [0,1,0,0,1,0|1,0,1]=4 6106 B10R0.109 CC(C)(C)CCC(=O)CCF 1458a_100000757465_100011217306 [0,1,0,0,1,0|1,0,0]=3 6107 B10R0.109 CC(C)(C)CCC(=O)CCO 1458a_100000757465_100000211926 [0,1,0,0,1,0|1,0,0]=3 6108 B10R0.109 CC(C)(C)CCC(=O)CCO 1458a_100011216618_100000755188 [0,1,0,0,1,0|1,0,0]=3 6109 B10R0.109 CC(C)(C)CNC(=O)CCO 240690a_100000743828_100011216618 [0,1,0,0,1,0|2,0,0]=4 6110 B10R0.109 CC(C)(C)COC(=O)CS[13CH3] 62a_200010402935_200025704644 [0,1,0,0,1,0|1,0,0]=3 6111 B10R0.109 CC(C)(C)COC(=O)CS[13CH3] 62a_200025704644_200010402935 [0,1,0,0,1,0|1,0,0]=3 6112 B10R0.109 CC(C)(C)OCC(=O)CCF 1458a_100000686494_100011217306 [0,1,0,0,1,0|2,0,0]=4 6113 B10R0.109 CC(C)(C)OCC(=O)CCO 1458a_100000686494_100000211926 [0,1,0,0,1,0|2,0,0]=4 6114 B10R0.109 CC(C)(F)CNC(=O)CCO 240690a_100020643315_100011216618 [0,1,0,0,1,0|2,0,0]=4 6115 B10R0.109 CC(C)(O)CNC(=O)CCO 240690a_100000751335_100011216618 [0,1,0,0,1,0|2,0,0]=4 6116 B10R0.109 CC(F)(F)CCC(=O)CCF 1458a_100000030992_100011217306 [0,1,0,0,1,0|2,0,0]=4 6117 B10R0.109 CC(F)(F)CCC(=O)CCO 1458a_100000030992_100000211926 [0,1,0,0,1,0|2,0,0]=4 6118 B10R0.109 CC=CC(=O)CCC(C)(C)C 1458a_100000210699_100000755188 [0,1,0,0,1,0|0,0,2]=4 6119 B10R0.109 CCCC(=O)C#CC(C)(C)C 1458a_100011966651_100000210303 [0,1,0,0,1,0|0,0,2]=4 6120 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000211992_100000755188 [0,1,0,0,1,0|0,0,0]=2 6121 B10R0.109 CCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210303 [0,1,0,0,1,0|0,0,0]=2 6122 B10R0.109 CCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210303 [0,1,0,0,1,0|1,0,0]=3 6123 B10R0.109 CCCC(=O)CCC(F)(F)F 1458a_100000211992_100011219754 [0,1,0,0,1,0|2,0,0]=4 6124 B10R0.109 CCCC(=O)CCC(F)(F)F 1458a_100000755318_100000210303 [0,1,0,0,1,0|2,0,0]=4 6125 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000211992_100000731031 [0,1,0,0,1,0|2,0,0]=4 6126 B10R0.109 CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210303 [0,1,0,0,1,0|2,0,0]=4 6127 B10R0.109 CCCC(=O)CC[N+](C)(C)C 1458a_100000211992_100000085578 [0,1,0,0,1,0|1,0,0]=3 6128 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100000211992_200000733723 [0,1,0,0,1,0|0,1,0]=3 6129 B10R0.109 CCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210303 [0,1,0,0,1,0|0,1,0]=3 6130 B10R0.109 CCCC(=O)CNC(C)(C)C 2230a_100000715429_100000747444 [0,1,0,0,1,0|1,0,0]=3 6131 B10R0.109 CCCC(=O)COC(C)(C)C 1458a_100000686494_100000210303 [0,1,0,0,1,0|1,0,0]=3 6132 B10R0.109 CCCC(=O)COC(C)(C)C 7a_100015890283_100000747444 [0,1,0,0,1,0|1,0,0]=3 6133 B10R0.109 CCCC(=O)CSC(C)(C)C 62a_100000211941_100000747444 [0,1,0,0,1,0|1,0,0]=3 6134 B10R0.109 CCCC(=O)CSC(C)(C)C 62a_100000747444_100000211941 [0,1,0,0,1,0|1,0,0]=3 6135 B10R0.109 CCCC(=O)NCC(C)(C)C 11a_100000743828_100000211992 [0,1,0,0,1,0|1,0,0]=3 6136 B10R0.109 CCCC(=O)NCC(C)(C)C 1626a_100000743828_100000211992 [0,1,0,0,1,0|1,0,0]=3 6137 B10R0.109 CCCC(=O)NCC(C)(C)C 240690a_100000743828_100000211992 [0,1,0,0,1,0|1,0,0]=3 6138 B10R0.109 CCCC(=O)NCC(C)(C)C 527a_100000743828_100000211992 [0,1,0,0,1,0|1,0,0]=3 6139 B10R0.109 CCCC(=O)NCC(C)(C)F 11a_100020643315_100000211992 [0,1,0,0,1,0|1,0,0]=3 6140 B10R0.109 CCCC(=O)NCC(C)(C)F 1626a_100020643315_100000211992 [0,1,0,0,1,0|1,0,0]=3 6141 B10R0.109 CCCC(=O)NCC(C)(C)F 240690a_100020643315_100000211992 [0,1,0,0,1,0|1,0,0]=3 6142 B10R0.109 CCCC(=O)NCC(C)(C)F 527a_100020643315_100000211992 [0,1,0,0,1,0|1,0,0]=3 6143 B10R0.109 CCCC(=O)NCC(C)(C)O 1626a_100000751335_100000211992 [0,1,0,0,1,0|1,0,0]=3 6144 B10R0.109 CCCC(=O)NCC(C)(C)O 240690a_100000751335_100000211992 [0,1,0,0,1,0|1,0,0]=3 6145 B10R0.109 CCCC(=O)NCC(C)(C)O 527a_100000751335_100000211992 [0,1,0,0,1,0|1,0,0]=3 6146 B10R0.109 CCCC(=O)NCC(C)(F)F 11a_100000731000_100000211992 [0,1,0,0,1,0|2,0,0]=4 6147 B10R0.109 CCCC(=O)NCC(C)(F)F 1626a_100000731000_100000211992 [0,1,0,0,1,0|2,0,0]=4 6148 B10R0.109 CCCC(=O)NCC(C)(F)F 240690a_100000731000_100000211992 [0,1,0,0,1,0|2,0,0]=4 6149 B10R0.109 CCCC(=O)NCC(C)(F)F 527a_100000731000_100000211992 [0,1,0,0,1,0|2,0,0]=4 6150 B10R0.109 CCCC(=O)NC[Si](C)(C)C 11a_102516607284_100000211992 [0,1,0,0,1,0|1,1,0]=4 6151 B10R0.109 CCCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000211992 [0,1,0,0,1,0|1,1,0]=4 6152 B10R0.109 CCCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000211992 [0,1,0,0,1,0|1,1,0]=4 6153 B10R0.109 CCCC(=O)NC[Si](C)(C)C 527a_102516607284_100000211992 [0,1,0,0,1,0|1,1,0]=4 6154 B10R0.109 CCCC(=O)NNC(C)(C)C 22a_100000725372_100000211992 [0,1,0,0,1,0|2,0,0]=4 6155 B10R0.109 CCCC(C)OCC(C)(C)C 34a_100000764384_100011219605 [0,1,0,0,1,0|1,0,1]=4 6156 B10R0.109 CCCC(C)OCC(C)(C)F 34a_100000716592_100000766640 [0,1,0,0,1,0|1,0,1]=4 6157 B10R0.109 CCCC(C)OCC(C)(C)F 34a_100000764384_100011997219 [0,1,0,0,1,0|1,0,1]=4 6158 B10R0.109 CCCC(C)OCC(C)(C)O 34a_100000764384_100000764493 [0,1,0,0,1,0|1,0,1]=4 6159 B10R0.109 CCCC(C)OCC(C)(C)O 7a_100000764384_100000764493 [0,1,0,0,1,0|1,0,1]=4 6160 B10R0.109 CCCN(C)CCC(C)(C)C 2230a_100000747261_100000755188 [0,1,0,0,1,0|2,0,0]=4 6161 B10R0.109 CCCN(C)CCC(C)(C)C 269982a_100000747261_100000755188 [0,1,0,0,1,0|2,0,0]=4 6162 B10R0.109 CCCN(C)CCC(C)(C)O 2230a_100000747261_100000702414 [0,1,0,0,1,0|2,0,0]=4 6163 B10R0.109 CCNC(=O)CCC(C)(C)C 11a_100015525214_100000757465 [0,1,0,0,1,0|1,0,0]=3 6164 B10R0.109 CCNC(=O)CCC(C)(C)C 240690a_100015525214_100000757465 [0,1,0,0,1,0|1,0,0]=3 6165 B10R0.109 CCNC(=O)CCC(C)(C)C 527a_100015525214_100000757465 [0,1,0,0,1,0|1,0,0]=3 6166 B10R0.109 CCNC(=O)CCC(C)(F)F 11a_100015525214_100000030992 [0,1,0,0,1,0|2,0,0]=4 6167 B10R0.109 CCNC(=O)CCC(C)(F)F 240690a_100015525214_100000030992 [0,1,0,0,1,0|2,0,0]=4 6168 B10R0.109 CCNC(=O)CCC(C)(F)F 527a_100015525214_100000030992 [0,1,0,0,1,0|2,0,0]=4 6169 B10R0.109 CCNC(=O)CC[Si](C)(C)C 240690a_100015525214_100011215282 [0,1,0,0,1,0|1,1,0]=4 6170 B10R0.109 CCNC(=O)CC[Si](C)(C)C 527a_100015525214_100011215282 [0,1,0,0,1,0|1,1,0]=4 6171 B10R0.109 CCNC(=O)CNC(C)(C)C 2230a_100000715429_100000183381 [0,1,0,0,1,0|2,0,0]=4 6172 B10R0.109 CCNC(=O)COC(C)(C)C 11a_100015525214_100000686494 [0,1,0,0,1,0|2,0,0]=4 6173 B10R0.109 CCNC(=O)COC(C)(C)C 240690a_100015525214_100000686494 [0,1,0,0,1,0|2,0,0]=4 6174 B10R0.109 CCNC(=O)COC(C)(C)C 34a_100015890283_100000183381 [0,1,0,0,1,0|2,0,0]=4 6175 B10R0.109 CCNC(=O)COC(C)(C)C 527a_100015525214_100000686494 [0,1,0,0,1,0|2,0,0]=4 6176 B10R0.109 CCNC(=O)COC(C)(C)C 7a_100015890283_100000183381 [0,1,0,0,1,0|2,0,0]=4 6177 B10R0.109 CCNC(=O)CSC(C)(C)C 62a_100000183381_100000211941 [0,1,0,0,1,0|2,0,0]=4 6178 B10R0.109 CCNC(=O)CSC(C)(C)C 62a_100000211941_100000183381 [0,1,0,0,1,0|2,0,0]=4 6179 B10R0.109 CCNC(=O)NCC(C)(C)C 2708a_100000743828_100015525214 [0,1,0,0,1,0|2,0,0]=4 6180 B10R0.109 CCNC(=O)NCC(C)(C)C 2708a_100015525214_100000743828 [0,1,0,0,1,0|2,0,0]=4 6181 B10R0.109 CCNC(=O)NCC(C)(C)C 273464a_100000743828_100015525214 [0,1,0,0,1,0|2,0,0]=4 6182 B10R0.109 CCNC(=O)NCC(C)(C)C 273464a_100015525214_100000743828 [0,1,0,0,1,0|2,0,0]=4 6183 B10R0.109 CCNC(=O)NCC(C)(C)C 512a_100000743828_100015525214 [0,1,0,0,1,0|2,0,0]=4 6184 B10R0.109 CCNC(=O)NCC(C)(C)C 512a_100015525214_100000743828 [0,1,0,0,1,0|2,0,0]=4 6185 B10R0.109 CCNC(=O)NCC(C)(C)F 2708a_100015525214_100020643315 [0,1,0,0,1,0|2,0,0]=4 6186 B10R0.109 CCNC(=O)NCC(C)(C)F 2708a_100020643315_100015525214 [0,1,0,0,1,0|2,0,0]=4 6187 B10R0.109 CCNC(=O)NCC(C)(C)F 273464a_100015525214_100020643315 [0,1,0,0,1,0|2,0,0]=4 6188 B10R0.109 CCNC(=O)NCC(C)(C)F 273464a_100020643315_100015525214 [0,1,0,0,1,0|2,0,0]=4 6189 B10R0.109 CCNC(=O)NCC(C)(C)F 512a_100015525214_100020643315 [0,1,0,0,1,0|2,0,0]=4 6190 B10R0.109 CCNC(=O)NCC(C)(C)F 512a_100020643315_100015525214 [0,1,0,0,1,0|2,0,0]=4 6191 B10R0.109 CCNC(=O)NCC(C)(C)O 2708a_100015525214_100000751335 [0,1,0,0,1,0|2,0,0]=4 6192 B10R0.109 CCNC(=O)NCC(C)(C)O 273464a_100015525214_100000751335 [0,1,0,0,1,0|2,0,0]=4 6193 B10R0.109 CCNC(=O)NCC(C)(C)O 512a_100000751335_100015525214 [0,1,0,0,1,0|2,0,0]=4 6194 B10R0.109 CCNC(=O)NCC(C)(C)O 512a_100015525214_100000751335 [0,1,0,0,1,0|2,0,0]=4 6195 B10R0.109 CCOC(=O)CNC(C)(C)C 2230a_100000715429_100000188475 [0,1,0,0,1,0|2,0,0]=4 6196 B10R0.109 CCOC(=O)COC(C)(C)C 34a_100015890283_100000188475 [0,1,0,0,1,0|2,0,0]=4 6197 B10R0.109 CCOC(=O)COC(C)(C)C 7a_100015890283_100000188475 [0,1,0,0,1,0|2,0,0]=4 6198 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000188475_100000211941 [0,1,0,0,1,0|2,0,0]=4 6199 B10R0.109 CCOC(=O)CSC(C)(C)C 62a_100000211941_100000188475 [0,1,0,0,1,0|2,0,0]=4 6200 B10R0.109 CNCC(=O)OCC(C)(C)C 2230a_106832991635_200010402935 [0,1,0,0,1,0|1,0,0]=3 6201 B10R0.109 CNCC(=O)OCC(C)(C)C 34a_100102657272_200010402935 [0,1,0,0,1,0|1,0,0]=3 6202 B10R0.109 CNCC(=O)OCC(C)(C)C 7a_106832991635_200010402935 [0,1,0,0,1,0|1,0,0]=3 6203 B10R0.109 CNNC(=O)CCC(C)(C)C 22a_100016993582_100000757465 [0,1,0,0,1,0|2,0,0]=4 6204 B10R0.109 COCC(=O)CCC(C)(C)C 1458a_100000210968_100000755188 [0,1,0,0,1,0|1,0,0]=3 6205 B10R0.109 COCC(=O)CC[N+](C)(C)C 1458a_100000210968_100000085578 [0,1,0,0,1,0|2,0,0]=4 6206 B10R0.109 COCC(=O)CC[Si](C)(C)C 1458a_100000210968_200000733723 [0,1,0,0,1,0|1,1,0]=4 6207 B10R0.109 COCC(=O)NCC(C)(C)C 11a_100000743828_100000210968 [0,1,0,0,1,0|2,0,0]=4 6208 B10R0.109 COCC(=O)NCC(C)(C)C 1626a_100000743828_100000210968 [0,1,0,0,1,0|2,0,0]=4 6209 B10R0.109 COCC(=O)NCC(C)(C)C 240690a_100000743828_100000210968 [0,1,0,0,1,0|2,0,0]=4 6210 B10R0.109 COCC(=O)NCC(C)(C)C 527a_100000743828_100000210968 [0,1,0,0,1,0|2,0,0]=4 6211 B10R0.109 COCC(=O)NCC(C)(C)F 11a_100020643315_100000210968 [0,1,0,0,1,0|2,0,0]=4 6212 B10R0.109 COCC(=O)NCC(C)(C)F 1626a_100020643315_100000210968 [0,1,0,0,1,0|2,0,0]=4 6213 B10R0.109 COCC(=O)NCC(C)(C)F 240690a_100020643315_100000210968 [0,1,0,0,1,0|2,0,0]=4 6214 B10R0.109 COCC(=O)NCC(C)(C)F 527a_100020643315_100000210968 [0,1,0,0,1,0|2,0,0]=4 6215 B10R0.109 COCC(=O)NCC(C)(C)O 1626a_100000751335_100000210968 [0,1,0,0,1,0|2,0,0]=4 6216 B10R0.109 COCC(=O)NCC(C)(C)O 240690a_100000751335_100000210968 [0,1,0,0,1,0|2,0,0]=4 6217 B10R0.109 COCC(=O)NCC(C)(C)O 527a_100000751335_100000210968 [0,1,0,0,1,0|2,0,0]=4 6218 B10R0.109 COCC(=O)OCC(C)(C)C 34a_100138415774_200010402935 [0,1,0,0,1,0|1,0,0]=3 6219 B10R0.109 CSCC(=O)CCC(C)(C)C 1458a_100000184570_100000755188 [0,1,0,0,1,0|1,0,0]=3 6220 B10R0.109 CSCC(=O)CC[N+](C)(C)C 1458a_100000184570_100000085578 [0,1,0,0,1,0|2,0,0]=4 6221 B10R0.109 CSCC(=O)CC[Si](C)(C)C 1458a_100000184570_200000733723 [0,1,0,0,1,0|1,1,0]=4 6222 B10R0.109 CSCC(=O)NCC(C)(C)C 11a_100000743828_100000184570 [0,1,0,0,1,0|2,0,0]=4 6223 B10R0.109 CSCC(=O)NCC(C)(C)C 1626a_100000743828_100000184570 [0,1,0,0,1,0|2,0,0]=4 6224 B10R0.109 CSCC(=O)NCC(C)(C)C 240690a_100000743828_100000184570 [0,1,0,0,1,0|2,0,0]=4 6225 B10R0.109 CSCC(=O)NCC(C)(C)C 527a_100000743828_100000184570 [0,1,0,0,1,0|2,0,0]=4 6226 B10R0.109 CSCC(=O)NCC(C)(C)F 11a_100020643315_100000184570 [0,1,0,0,1,0|2,0,0]=4 6227 B10R0.109 CSCC(=O)NCC(C)(C)F 1626a_100020643315_100000184570 [0,1,0,0,1,0|2,0,0]=4 6228 B10R0.109 CSCC(=O)NCC(C)(C)F 240690a_100020643315_100000184570 [0,1,0,0,1,0|2,0,0]=4 6229 B10R0.109 CSCC(=O)NCC(C)(C)F 527a_100020643315_100000184570 [0,1,0,0,1,0|2,0,0]=4 6230 B10R0.109 CSCC(=O)NCC(C)(C)O 1626a_100000751335_100000184570 [0,1,0,0,1,0|2,0,0]=4 6231 B10R0.109 CSCC(=O)NCC(C)(C)O 240690a_100000751335_100000184570 [0,1,0,0,1,0|2,0,0]=4 6232 B10R0.109 CSCC(=O)NCC(C)(C)O 527a_100000751335_100000184570 [0,1,0,0,1,0|2,0,0]=4 6233 B10R0.109 CSCC(=O)OCC(C)(C)C 62a_200000210301_200010402935 [0,1,0,0,1,0|1,0,0]=3 6234 B10R0.109 CSCC(=O)OCC(C)(C)C 62a_200010402935_200000210301 [0,1,0,0,1,0|1,0,0]=3 6235 B10R0.109 C[N+](C)(C)CCC(=O)CCO 1458a_100011216618_100000085578 [0,1,0,0,1,0|2,0,0]=4 6236 B10R0.109 C[Si](C)(C)CCC(=O)CCF 1458a_100011215282_100011217306 [0,1,0,0,1,0|1,1,0]=4 6237 B10R0.109 C[Si](C)(C)CCC(=O)CCO 1458a_100011215282_100000211926 [0,1,0,0,1,0|1,1,0]=4 6238 B10R0.109 C[Si](C)(C)CCC(=O)CCO 1458a_100011216618_200000733723 [0,1,0,0,1,0|1,1,0]=4 6239 B12R0.54 C=C(CNCC(C)C)C(=O)OCC 34a_100000210953_100000755967 [0,1,0,0,0,1|2,0,0]=4 6240 B12R0.54 C=C(COCC(C)C)C(=O)OCC 34a_100000210257_100000755967 [0,1,0,0,0,1|2,0,0]=4 6241 B12R0.54 C=C(CSCC(C)C)C(=O)OCC 62a_100000210624_100000755967 [0,1,0,0,0,1|2,0,0]=4 6242 B12R0.54 C=C(CSCC(C)C)C(=O)OCC 62a_100000755967_100000210760 [0,1,0,0,0,1|2,0,0]=4 6243 B12R0.54 CCCC(=O)N(C)CCCN(C)C 240690a_100000225831_100000211992 [0,1,0,0,0,1|2,0,0]=4 6244 B12R0.54 CCCC(C)C(C)OCCC(C)C 34a_100000708338_100000210312 [0,1,0,0,0,1|1,0,1]=4 6245 B12R0.54 CCCC(C)C(C)OCCC(C)C 7a_100000708338_100000210626 [0,1,0,0,0,1|1,0,1]=4 6246 B12R0.54 CCNC(=O)C(=O)CCCC(C)C 1458a_200011297158_100011214892 [0,1,0,0,0,1|2,0,0]=4 6247 B12R0.54 CCNC(=O)C(=O)CCOC(C)C 1458a_200011297158_100000211751 [0,1,0,0,0,1|2,0,0]=4 6248 B12R0.54 CCNC(=O)C(=O)CCSC(C)C 1458a_200011297158_100000730970 [0,1,0,0,0,1|2,0,0]=4 6249 B12R0.54 CCNC(=O)C(=O)NCCC(C)C 1626a_100000210545_200011297158 [0,1,0,0,0,1|2,0,0]=4 6250 B12R0.54 CCNC(=O)C(=O)NCCC(C)C 240690a_100000210545_200011297158 [0,1,0,0,0,1|2,0,0]=4 6251 B12R0.54 CCNC(=O)C(=O)NCCC(C)C 527a_100000210545_200011297158 [0,1,0,0,0,1|2,0,0]=4 6252 B12R0.54 CCNC(=O)C(C)NCCC(C)C 2230a_100000736553_100000210312 [0,1,0,0,0,1|2,0,0]=4 6253 B12R0.54 CCNC(=O)C(C)NCCC(C)C 34a_100000736553_100000210312 [0,1,0,0,0,1|2,0,0]=4 6254 B12R0.54 CCNC(=O)C(C)OCCC(C)Br 34a_100009893172_100000230173 [0,1,0,0,0,1|2,0,0]=4 6255 B12R0.54 CCNC(=O)C(C)OCCC(C)C 34a_100000210254_100000230173 [0,1,0,0,0,1|1,0,0]=3 6256 B12R0.54 CCNC(=O)C(C)OCCC(C)C 7a_100000210254_100000230173 [0,1,0,0,0,1|1,0,0]=3 6257 B12R0.54 CCNC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000230173 [0,1,0,0,0,1|2,0,0]=4 6258 B12R0.54 CCNC(=O)C(C)SCCC(C)C 62a_100000210312_100000230173 [0,1,0,0,0,1|1,1,0]=4 6259 B12R0.54 CCNC(=O)C(C)SCCC(C)C 62a_100000230173_100000210312 [0,1,0,0,0,1|1,1,0]=4 6260 B12R0.54 CCOC(=O)C(=O)CSCC(C)C 62a_100000210624_100000211299 [0,1,0,0,0,1|2,0,0]=4 6261 B12R0.54 CCOC(=O)C(=O)CSCC(C)C 62a_100000211299_100000210760 [0,1,0,0,0,1|2,0,0]=4 6262 B12R0.54 CCOC(=O)C(=O)NCCC(C)C 11a_100000210545_100014798877 [0,1,0,0,0,1|2,0,0]=4 6263 B12R0.54 CCOC(=O)C(=O)NCCC(C)C 1626a_100000210545_100014798877 [0,1,0,0,0,1|2,0,0]=4 6264 B12R0.54 CCOC(=O)C(=O)NCCC(C)C 240690a_100000210545_100014798877 [0,1,0,0,0,1|2,0,0]=4 6265 B12R0.54 CCOC(=O)C(C)OCCC(C)Br 34a_100009893172_100011216346 [0,1,0,0,0,1|2,0,0]=4 6266 B12R0.54 CCOC(=O)C(C)OCCC(C)C 34a_100000210254_100011216346 [0,1,0,0,0,1|1,0,0]=3 6267 B12R0.54 CCOC(=O)C(C)OCCC(C)C 7a_100000210254_100011216346 [0,1,0,0,0,1|1,0,0]=3 6268 B12R0.54 CCOC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100011216346 [0,1,0,0,0,1|2,0,0]=4 6269 B12R0.54 CCOC(=O)C(C)SCCC(C)C 62a_100000210312_100011216346 [0,1,0,0,0,1|1,1,0]=4 6270 B12R0.54 CCOC(=O)C(C)SCCC(C)C 62a_100011216346_100000210312 [0,1,0,0,0,1|1,1,0]=4 6271 B12R0.54 CCOC(=O)C(F)OCCC(C)Br 34a_100009893172_100000760018 [0,1,0,0,0,1|2,0,0]=4 6272 B12R0.54 CCOC(=O)C(F)OCCC(C)C 34a_100000210254_100000760018 [0,1,0,0,0,1|1,0,0]=3 6273 B12R0.54 CCOC(=O)C(F)OCCC(C)C 7a_100000210254_100000040065 [0,1,0,0,0,1|1,0,0]=3 6274 B12R0.54 CCOC(=O)C(F)OCC[C@@H](C)N 34a_100000706166_100000760018 [0,1,0,0,0,1|2,0,0]=4 6275 B12R0.54 CCOC(=O)C(F)SCCC(C)C 62a_100000210312_100000760018 [0,1,0,0,0,1|1,1,0]=4 6276 B12R0.54 CCOC(=O)C(F)SCCC(C)C 62a_100000760018_100000210312 [0,1,0,0,0,1|1,1,0]=4 6277 B12R0.54 CCOC(=O)[C@H](C)OCCC(C)C 7a_100000751109_100000210626 [0,1,0,0,0,1|1,0,0]=3 6278 B12R0.54 CCOC(=O)[C@H](C)OCCC(C)O 7a_100000751109_100012276601 [0,1,0,0,0,1|2,0,0]=4 6279 B12R0.54 CCOC(=O)[C@H](C)OCCN(C)C 7a_100000751109_100000755713 [0,1,0,0,0,1|2,0,0]=4 6280 B12R0.54 CCSC(=O)[C@H](C)NCCC(C)C 2230a_100103168634_100000210312 [0,1,0,0,0,1|2,0,0]=4 6281 B12R0.72 CC(C)(C)CCOCC(=O)NCO 7a_100000765024_100000185155 [0,1,0,0,0,1|2,0,0]=4 6282 B12R0.72 CC(C)(C)OCCNC(=O)CCO 240690a_100000747557_100011216618 [0,1,0,0,0,1|2,0,0]=4 6283 B12R0.72 CC(C)(C)SCCNC(=O)CCO 240690a_100000689375_100011216618 [0,1,0,0,0,1|2,0,0]=4 6284 B12R0.72 CCCC(=O)CNCCC(C)(C)C 2230a_100000738805_100000747444 [0,1,0,0,0,1|1,0,0]=3 6285 B12R0.72 CCCC(=O)CNCCC(C)(C)F 2230a_100016253952_100000747444 [0,1,0,0,0,1|1,0,0]=3 6286 B12R0.72 CCCC(=O)COCCC(C)(C)C 7a_100000765024_100000747444 [0,1,0,0,0,1|0,0,0]=2 6287 B12R0.72 CCCC(=O)COCCS(=O)(=O)C 7a_100000211924_100000747444 [0,1,0,0,0,1|2,0,0]=4 6288 B12R0.72 CCCC(=O)COCC[N+](C)(C)C 7a_200020618287_100000747444 [0,1,0,0,0,1|1,0,0]=3 6289 B12R0.72 CCCC(=O)COCC[Si](C)(C)C 1458a_100000211992_100000032501 [0,1,0,0,0,1|0,1,0]=3 6290 B12R0.72 CCCC(=O)COCC[Si](C)(C)C 7a_100000039746_100000747444 [0,1,0,0,0,1|0,1,0]=3 6291 B12R0.72 CCCC(=O)CSCCC(C)(C)C 62a_100000747444_100000755188 [0,1,0,0,0,1|0,1,0]=3 6292 B12R0.72 CCCC(=O)CSCCC(C)(C)C 62a_100000755188_100000747444 [0,1,0,0,0,1|0,1,0]=3 6293 B12R0.72 CCCC(=O)CSCCC(C)(C)O 62a_100000702414_100000747444 [0,1,0,0,0,1|0,1,0]=3 6294 B12R0.72 CCCC(=O)CSCCC(C)(C)O 62a_100000747444_100000702414 [0,1,0,0,0,1|0,1,0]=3 6295 B12R0.72 CCCC(=O)CSCC[N+](C)(C)C 62a_100000085578_100000747444 [0,1,0,0,0,1|1,1,0]=4 6296 B12R0.72 CCCC(=O)CSCC[N+](C)(C)C 62a_100000747444_100000085578 [0,1,0,0,0,1|1,1,0]=4 6297 B12R0.72 CCCC(=O)CSCC[Si](C)(C)C 62a_100000747444_200000733723 [0,1,0,0,0,1|0,2,0]=4 6298 B12R0.72 CCCC(=O)CSCC[Si](C)(C)C 62a_200000733723_100000747444 [0,1,0,0,0,1|0,2,0]=4 6299 B12R0.72 CCCC(=O)NCCC[Si](C)(C)C 1626a_100000725946_100000211992 [0,1,0,0,0,1|1,1,0]=4 6300 B12R0.72 CCCC(=O)NCCC[Si](C)(C)C 240690a_100000725946_100000211992 [0,1,0,0,0,1|1,1,0]=4 6301 B12R0.72 CCCC(=O)NCCC[Si](C)(C)C 527a_100000725946_100000211992 [0,1,0,0,0,1|1,1,0]=4 6302 B12R0.72 CCCC(=O)NCCOC(C)(C)C 11a_100000747557_100000211992 [0,1,0,0,0,1|1,0,0]=3 6303 B12R0.72 CCCC(=O)NCCOC(C)(C)C 1626a_100000747557_100000211992 [0,1,0,0,0,1|1,0,0]=3 6304 B12R0.72 CCCC(=O)NCCOC(C)(C)C 240690a_100000747557_100000211992 [0,1,0,0,0,1|1,0,0]=3 6305 B12R0.72 CCCC(=O)NCCOC(C)(C)C 527a_100000747557_100000211992 [0,1,0,0,0,1|1,0,0]=3 6306 B12R0.72 CCCC(=O)NCCSC(C)(C)C 11a_100000689375_100000211992 [0,1,0,0,0,1|1,0,0]=3 6307 B12R0.72 CCCC(=O)NCCSC(C)(C)C 1626a_100000689375_100000211992 [0,1,0,0,0,1|1,0,0]=3 6308 B12R0.72 CCCC(=O)NCCSC(C)(C)C 240690a_100000689375_100000211992 [0,1,0,0,0,1|1,0,0]=3 6309 B12R0.72 CCCC(=O)NCCSC(C)(C)C 527a_100000689375_100000211992 [0,1,0,0,0,1|1,0,0]=3 6310 B12R0.72 CCCC(=O)NN=CCC(C)(C)C 4a_100000189770_100000750564 [0,1,0,0,0,1|1,0,1]=4 6311 B12R0.72 CCCC(=O)OCNCC(C)(C)C 2230a_100000743828_100000034017 [0,1,0,0,0,1|0,0,0]=2 6312 B12R0.72 CCCC(=O)OCNCC(C)(C)F 2230a_100020643315_100000034017 [0,1,0,0,0,1|0,0,0]=2 6313 B12R0.72 CCCC(=O)OCNCC(C)(C)O 2230a_100000751335_100000034017 [0,1,0,0,0,1|0,0,0]=2 6314 B12R0.72 CCCC(=O)OCNCC(F)(F)F 34a_100000717047_100000034017 [0,1,0,0,0,1|2,0,0]=4 6315 B12R0.72 CCCC(=O)OCOCC(C)(C)F 34a_100000716592_100000034017 [0,1,0,0,0,1|0,0,0]=2 6316 B12R0.72 CCCC(=O)OCOCC(C)(F)F 34a_100000068830_100000034017 [0,1,0,0,0,1|1,0,0]=3 6317 B12R0.72 CCCC(=O)OCOCC(F)(F)Br 34a_100011217949_100000034017 [0,1,0,0,0,1|2,0,0]=4 6318 B12R0.72 CCCC(=O)OCOCC(F)(F)Cl 34a_100000734434_100000034017 [0,1,0,0,0,1|2,0,0]=4 6319 B12R0.72 CCCC(=O)OCOCC(F)(F)F 34a_100000210435_100000034017 [0,1,0,0,0,1|2,0,0]=4 6320 B12R0.72 CCCC(=O)OCSCC(C)(C)C 62a_100011219605_100000034017 [0,1,0,0,0,1|0,0,0]=2 6321 B12R0.72 CCCC(=O)OCSCC(C)(C)F 62a_100011997219_100000034017 [0,1,0,0,0,1|0,0,0]=2 6322 B12R0.72 CCCC(=O)OCSCC(C)(C)O 62a_100000764493_100000034017 [0,1,0,0,0,1|0,0,0]=2 6323 B12R0.72 CCCC(=O)OCSCC(F)(F)F 62a_100000763148_100000034017 [0,1,0,0,0,1|2,0,0]=4 6324 B12R0.72 CCCC(=O)OCSC[N+](C)(C)C 62a_200000036245_100000034017 [0,1,0,0,0,1|1,0,0]=3 6325 B12R0.72 CCCC(=O)OCSC[Si](C)(C)C 62a_100000037933_100000034017 [0,1,0,0,0,1|0,1,0]=3 6326 B12R0.72 CCCC(C)COCCC(C)(C)C 34a_100000688023_100000755188 [0,1,0,0,0,1|1,0,1]=4 6327 B12R0.72 CCCC(C)COCCC(C)(C)C 7a_100000688023_100000755188 [0,1,0,0,0,1|1,0,1]=4 6328 B12R0.72 CCCC(C)COCCC(C)(C)C 7a_100000765024_100011216630 [0,1,0,0,0,1|1,0,1]=4 6329 B12R0.72 CCCC(C)COCCC(C)(C)O 34a_100000688023_100000702414 [0,1,0,0,0,1|1,0,1]=4 6330 B12R0.72 CCCC(C)COCCC(C)(C)O 7a_100000688023_100000702414 [0,1,0,0,0,1|1,0,1]=4 6331 B12R0.72 CCCC(C)OCCCC(C)(C)O 34a_100000764384_100009888830 [0,1,0,0,0,1|1,0,1]=4 6332 B12R0.72 CCCC(C)OCCCC(C)(C)O 7a_100000764384_100009888830 [0,1,0,0,0,1|1,0,1]=4 6333 B12R0.72 CCCC(C)OCCOC(C)(C)C 34a_100000693234_100000766640 [0,1,0,0,0,1|1,0,1]=4 6334 B12R0.72 CCCC(C)OCCOC(C)(C)C 7a_100000693234_100000766640 [0,1,0,0,0,1|1,0,1]=4 6335 B12R0.72 CCC[C@H](N)COCCC(C)(C)C 34a_100000732646_100000755188 [0,1,0,0,0,1|1,0,1]=4 6336 B12R0.72 CCC[C@H](N)COCCC(C)(C)O 34a_100000732646_100000702414 [0,1,0,0,0,1|1,0,1]=4 6337 B12R0.72 CCNC(=O)CCNCC(C)(C)C 2230a_100000743828_100000737597 [0,1,0,0,0,1|2,0,0]=4 6338 B12R0.72 CCNC(=O)CCNCC(C)(C)C 270004a_100025743525_100011204126 [0,1,0,0,0,1|2,0,0]=4 6339 B12R0.72 CCNC(=O)CCNCC(C)(C)C 34a_100025743525_100011219605 [0,1,0,0,0,1|2,0,0]=4 6340 B12R0.72 CCNC(=O)CCNCC(C)(C)F 2230a_100020643315_100000737597 [0,1,0,0,0,1|2,0,0]=4 6341 B12R0.72 CCNC(=O)CCNCC(C)(C)F 34a_100025743525_100011997219 [0,1,0,0,0,1|2,0,0]=4 6342 B12R0.72 CCNC(=O)CCNCC(C)(C)O 2230a_100000751335_100000737597 [0,1,0,0,0,1|2,0,0]=4 6343 B12R0.72 CCNC(=O)CCNCC(C)(C)O 34a_100025743525_100000764493 [0,1,0,0,0,1|2,0,0]=4 6344 B12R0.72 CCNC(=O)CCSCC(C)(C)C 62a_100000737597_100011219605 [0,1,0,0,0,1|2,0,0]=4 6345 B12R0.72 CCNC(=O)CCSCC(C)(C)C 62a_100011219605_100000737597 [0,1,0,0,0,1|2,0,0]=4 6346 B12R0.72 CCNC(=O)CCSCC(C)(C)F 62a_100000737597_100011997219 [0,1,0,0,0,1|2,0,0]=4 6347 B12R0.72 CCNC(=O)CCSCC(C)(C)F 62a_100011997219_100000737597 [0,1,0,0,0,1|2,0,0]=4 6348 B12R0.72 CCNC(=O)CCSCC(C)(C)O 62a_100000737597_100000764493 [0,1,0,0,0,1|2,0,0]=4 6349 B12R0.72 CCNC(=O)CCSCC(C)(C)O 62a_100000764493_100000737597 [0,1,0,0,0,1|2,0,0]=4 6350 B12R0.72 CCNC(=O)CNCCC(C)(C)C 2230a_100000738805_100000183381 [0,1,0,0,0,1|2,0,0]=4 6351 B12R0.72 CCNC(=O)CNCCC(C)(C)C 2230a_100016988866_100000755188 [0,1,0,0,0,1|2,0,0]=4 6352 B12R0.72 CCNC(=O)CNCCC(C)(C)F 2230a_100016253952_100000183381 [0,1,0,0,0,1|2,0,0]=4 6353 B12R0.72 CCNC(=O)CNCCC(C)(C)O 2230a_100016988866_100000702414 [0,1,0,0,0,1|2,0,0]=4 6354 B12R0.72 CCNC(=O)COCCC(C)(C)C 7a_100000765024_100000183381 [0,1,0,0,0,1|1,0,0]=3 6355 B12R0.72 CCNC(=O)COCC[N+](C)(C)C 7a_200020618287_100000183381 [0,1,0,0,0,1|2,0,0]=4 6356 B12R0.72 CCNC(=O)COCC[Si](C)(C)C 7a_100000039746_100000183381 [0,1,0,0,0,1|1,1,0]=4 6357 B12R0.72 CCNC(=O)CSCCC(C)(C)C 62a_100000183381_100000755188 [0,1,0,0,0,1|1,1,0]=4 6358 B12R0.72 CCNC(=O)CSCCC(C)(C)C 62a_100000755188_100000183381 [0,1,0,0,0,1|1,1,0]=4 6359 B12R0.72 CCNC(=O)CSCCC(C)(C)O 62a_100000183381_100000702414 [0,1,0,0,0,1|1,1,0]=4 6360 B12R0.72 CCNC(=O)CSCCC(C)(C)O 62a_100000702414_100000183381 [0,1,0,0,0,1|1,1,0]=4 6361 B12R0.72 CCNC(=O)NCCOC(C)(C)C 2708a_100000747557_100015525214 [0,1,0,0,0,1|2,0,0]=4 6362 B12R0.72 CCNC(=O)NCCOC(C)(C)C 2708a_100015525214_100000747557 [0,1,0,0,0,1|2,0,0]=4 6363 B12R0.72 CCNC(=O)NCCOC(C)(C)C 273464a_100000747557_100015525214 [0,1,0,0,0,1|2,0,0]=4 6364 B12R0.72 CCNC(=O)NCCOC(C)(C)C 273464a_100015525214_100000747557 [0,1,0,0,0,1|2,0,0]=4 6365 B12R0.72 CCNC(=O)NCCOC(C)(C)C 512a_100000747557_100015525214 [0,1,0,0,0,1|2,0,0]=4 6366 B12R0.72 CCNC(=O)NCCOC(C)(C)C 512a_100015525214_100000747557 [0,1,0,0,0,1|2,0,0]=4 6367 B12R0.72 CCNC(=O)NCCSC(C)(C)C 2708a_100000689375_100015525214 [0,1,0,0,0,1|2,0,0]=4 6368 B12R0.72 CCNC(=O)NCCSC(C)(C)C 2708a_100015525214_100000689375 [0,1,0,0,0,1|2,0,0]=4 6369 B12R0.72 CCNC(=O)NCCSC(C)(C)C 273464a_100000689375_100015525214 [0,1,0,0,0,1|2,0,0]=4 6370 B12R0.72 CCNC(=O)NCCSC(C)(C)C 273464a_100015525214_100000689375 [0,1,0,0,0,1|2,0,0]=4 6371 B12R0.72 CCNC(=O)NCCSC(C)(C)C 512a_100000689375_100015525214 [0,1,0,0,0,1|2,0,0]=4 6372 B12R0.72 CCNC(=O)NCCSC(C)(C)C 512a_100015525214_100000689375 [0,1,0,0,0,1|2,0,0]=4 6373 B12R0.72 CCOC(=O)CCCNC(C)(C)C 2230a_100000715429_100009991533 [0,1,0,0,0,1|2,0,0]=4 6374 B12R0.72 CCOC(=O)CCCOC(C)(C)C 34a_100015890283_100009991533 [0,1,0,0,0,1|2,0,0]=4 6375 B12R0.72 CCOC(=O)CCCOC(C)(C)C 7a_100015890283_100011215271 [0,1,0,0,0,1|2,0,0]=4 6376 B12R0.72 CCOC(=O)CCCSC(C)(C)C 62a_100000211941_100009991533 [0,1,0,0,0,1|2,0,0]=4 6377 B12R0.72 CCOC(=O)CCCSC(C)(C)C 62a_100009991533_100000211941 [0,1,0,0,0,1|2,0,0]=4 6378 B12R0.72 CCOC(=O)CCNCC(C)(C)C 2230a_100000743828_100011206558 [0,1,0,0,0,1|2,0,0]=4 6379 B12R0.72 CCOC(=O)CCNCC(C)(C)F 2230a_100020643315_100011206558 [0,1,0,0,0,1|2,0,0]=4 6380 B12R0.72 CCOC(=O)CCNCC(C)(C)O 2230a_100000751335_100011206558 [0,1,0,0,0,1|2,0,0]=4 6381 B12R0.72 CCOC(=O)CCOCC(C)(C)F 34a_100000716592_100000765890 [0,1,0,0,0,1|2,0,0]=4 6382 B12R0.72 CCOC(=O)CCSCC(C)(C)C 62a_100000765890_100011219605 [0,1,0,0,0,1|2,0,0]=4 6383 B12R0.72 CCOC(=O)CCSCC(C)(C)C 62a_100011219605_100000765890 [0,1,0,0,0,1|2,0,0]=4 6384 B12R0.72 CCOC(=O)CCSCC(C)(C)F 62a_100000765890_100011997219 [0,1,0,0,0,1|2,0,0]=4 6385 B12R0.72 CCOC(=O)CCSCC(C)(C)F 62a_100011997219_100000765890 [0,1,0,0,0,1|2,0,0]=4 6386 B12R0.72 CCOC(=O)CCSCC(C)(C)O 62a_100000764493_100000765890 [0,1,0,0,0,1|2,0,0]=4 6387 B12R0.72 CCOC(=O)CCSCC(C)(C)O 62a_100000765890_100000764493 [0,1,0,0,0,1|2,0,0]=4 6388 B12R0.72 CCOC(=O)CNCCC(C)(C)C 2230a_100000738805_100000188475 [0,1,0,0,0,1|2,0,0]=4 6389 B12R0.72 CCOC(=O)CNCCC(C)(C)F 2230a_100016253952_100000188475 [0,1,0,0,0,1|2,0,0]=4 6390 B12R0.72 CCOC(=O)COCCC(C)(C)C 7a_100000765024_100000188475 [0,1,0,0,0,1|1,0,0]=3 6391 B12R0.72 CCOC(=O)COCC[N+](C)(C)C 7a_200020618287_100000188475 [0,1,0,0,0,1|2,0,0]=4 6392 B12R0.72 CCOC(=O)COCC[Si](C)(C)C 7a_100000039746_100000188475 [0,1,0,0,0,1|1,1,0]=4 6393 B12R0.72 CCOC(=O)CSCCC(C)(C)C 62a_100000188475_100000755188 [0,1,0,0,0,1|1,1,0]=4 6394 B12R0.72 CCOC(=O)CSCCC(C)(C)C 62a_100000755188_100000188475 [0,1,0,0,0,1|1,1,0]=4 6395 B12R0.72 CCOC(=O)CSCCC(C)(C)O 62a_100000188475_100000702414 [0,1,0,0,0,1|1,1,0]=4 6396 B12R0.72 CCOC(=O)CSCCC(C)(C)O 62a_100000702414_100000188475 [0,1,0,0,0,1|1,1,0]=4 6397 B12R0.72 CCOC(=O)NCCOC(C)(C)C 34a_100000158857_100000210625 [0,1,0,0,0,1|2,0,0]=4 6398 B12R0.72 CCOC(=O)NCCOC(C)(C)C 7a_100015890283_200011445536 [0,1,0,0,0,1|2,0,0]=4 6399 B12R0.72 CCOC(=O)NCCSC(C)(C)C 62a_100000211941_200011445536 [0,1,0,0,0,1|2,0,0]=4 6400 B12R0.72 CCOC(=O)OCSCC(C)(C)C 62a_100011219605_100000075025 [0,1,0,0,0,1|1,0,0]=3 6401 B12R0.72 CCOC(=O)OCSCC(C)(C)F 62a_100011997219_100000075025 [0,1,0,0,0,1|1,0,0]=3 6402 B12R0.72 CCOC(=O)OCSCC(C)(C)O 62a_100000764493_100000075025 [0,1,0,0,0,1|1,0,0]=3 6403 B12R0.72 CCOC(=O)OCSC[N+](C)(C)C 62a_200000036245_100000075025 [0,1,0,0,0,1|2,0,0]=4 6404 B12R0.72 CCOC(=O)OCSC[Si](C)(C)C 62a_100000037933_100000075025 [0,1,0,0,0,1|1,1,0]=4 6405 B12R0.72 COCC(=O)COCC[Si](C)(C)C 1458a_100000210968_100000032501 [0,1,0,0,0,1|1,1,0]=4 6406 B12R0.72 COCC(=O)NCCOC(C)(C)C 11a_100000747557_100000210968 [0,1,0,0,0,1|2,0,0]=4 6407 B12R0.72 COCC(=O)NCCOC(C)(C)C 1626a_100000747557_100000210968 [0,1,0,0,0,1|2,0,0]=4 6408 B12R0.72 COCC(=O)NCCOC(C)(C)C 240690a_100000747557_100000210968 [0,1,0,0,0,1|2,0,0]=4 6409 B12R0.72 COCC(=O)NCCOC(C)(C)C 527a_100000747557_100000210968 [0,1,0,0,0,1|2,0,0]=4 6410 B12R0.72 COCC(=O)NCCSC(C)(C)C 11a_100000689375_100000210968 [0,1,0,0,0,1|2,0,0]=4 6411 B12R0.72 COCC(=O)NCCSC(C)(C)C 1626a_100000689375_100000210968 [0,1,0,0,0,1|2,0,0]=4 6412 B12R0.72 COCC(=O)NCCSC(C)(C)C 240690a_100000689375_100000210968 [0,1,0,0,0,1|2,0,0]=4 6413 B12R0.72 COCC(=O)NCCSC(C)(C)C 527a_100000689375_100000210968 [0,1,0,0,0,1|2,0,0]=4 6414 B12R0.72 CSCC(=O)COCC[Si](C)(C)C 1458a_100000184570_100000032501 [0,1,0,0,0,1|1,1,0]=4 6415 B12R0.72 CSCC(=O)NCCOC(C)(C)C 11a_100000747557_100000184570 [0,1,0,0,0,1|2,0,0]=4 6416 B12R0.72 CSCC(=O)NCCOC(C)(C)C 1626a_100000747557_100000184570 [0,1,0,0,0,1|2,0,0]=4 6417 B12R0.72 CSCC(=O)NCCOC(C)(C)C 240690a_100000747557_100000184570 [0,1,0,0,0,1|2,0,0]=4 6418 B12R0.72 CSCC(=O)NCCOC(C)(C)C 527a_100000747557_100000184570 [0,1,0,0,0,1|2,0,0]=4 6419 B12R0.72 CSCC(=O)NCCSC(C)(C)C 11a_100000689375_100000184570 [0,1,0,0,0,1|2,0,0]=4 6420 B12R0.72 CSCC(=O)NCCSC(C)(C)C 1626a_100000689375_100000184570 [0,1,0,0,0,1|2,0,0]=4 6421 B12R0.72 CSCC(=O)NCCSC(C)(C)C 240690a_100000689375_100000184570 [0,1,0,0,0,1|2,0,0]=4 6422 B12R0.72 CSCC(=O)NCCSC(C)(C)C 527a_100000689375_100000184570 [0,1,0,0,0,1|2,0,0]=4 6423 B12R0.72 C[Si](C)(C)CCOCC(=O)CCO 1458a_100011216618_100000032501 [0,1,0,0,0,1|1,1,0]=4 6424 B12R0.86 CC(C)CCCCC(=O)C(O)CO 1458a_100011215603_100011216152 [0,1,0,0,0,1|2,0,0]=4 6425 B12R0.86 CC(C)CCCNC(=O)C(O)CO 240690a_200000737386_100011215603 [0,1,0,0,0,1|2,0,0]=4 6426 B12R0.86 CC(C)OCCNC(=O)C(O)CO 240690a_100000701111_100011215603 [0,1,0,0,0,1|2,0,0]=4 6427 B12R0.86 CC(C)SCCNC(=O)C(O)CO 240690a_100000731138_100011215603 [0,1,0,0,0,1|2,0,0]=4 6428 B12R0.86 CCC(C)C(=O)CCCCC(C)C 1458a_100011192722_100011216152 [0,1,0,0,0,1|1,0,0]=3 6429 B12R0.86 CCC(C)C(=O)CCCCC(C)C 1458a_100011933920_100000758301 [0,1,0,0,0,1|1,0,0]=3 6430 B12R0.86 CCC(C)C(=O)NCCCC(C)C 11a_200000737386_100011192722 [0,1,0,0,0,1|1,0,0]=3 6431 B12R0.86 CCC(C)C(=O)NCCCC(C)C 1626a_200000737386_100011192722 [0,1,0,0,0,1|1,0,0]=3 6432 B12R0.86 CCC(C)C(=O)NCCCC(C)C 240690a_200000737386_100011192722 [0,1,0,0,0,1|1,0,0]=3 6433 B12R0.86 CCC(C)C(=O)NCCCC(C)C 527a_200000737386_100011192722 [0,1,0,0,0,1|1,0,0]=3 6434 B12R0.86 CCC(C)C(=O)NCCCN(C)C 240690a_102531767803_100011192722 [0,1,0,0,0,1|2,0,0]=4 6435 B12R0.86 CCC(C)C(=O)NCCCN(C)C 527a_102531767803_100011192722 [0,1,0,0,0,1|2,0,0]=4 6436 B12R0.86 CCC(C)C(=O)NCCOC(C)C 11a_100000701111_100011192722 [0,1,0,0,0,1|1,0,0]=3 6437 B12R0.86 CCC(C)C(=O)NCCOC(C)C 1626a_100000701111_100011192722 [0,1,0,0,0,1|1,0,0]=3 6438 B12R0.86 CCC(C)C(=O)NCCOC(C)C 240690a_100000701111_100011192722 [0,1,0,0,0,1|1,0,0]=3 6439 B12R0.86 CCC(C)C(=O)NCCOC(C)C 527a_100000701111_100011192722 [0,1,0,0,0,1|1,0,0]=3 6440 B12R0.86 CCC(C)C(=O)NCCSC(C)C 11a_100000731138_100011192722 [0,1,0,0,0,1|1,0,0]=3 6441 B12R0.86 CCC(C)C(=O)NCCSC(C)C 1626a_100000731138_100011192722 [0,1,0,0,0,1|1,0,0]=3 6442 B12R0.86 CCC(C)C(=O)NCCSC(C)C 240690a_100000731138_100011192722 [0,1,0,0,0,1|1,0,0]=3 6443 B12R0.86 CCC(C)C(=O)NCCSC(C)C 527a_100000731138_100011192722 [0,1,0,0,0,1|1,0,0]=3 6444 B12R0.86 CCC(C)C(=O)NN=CCC(C)C 4a_100000740736_100000185833 [0,1,0,0,0,1|1,0,1]=4 6445 B12R0.86 CCC(C)C(=O)NNCCN(C)C 22a_100000738145_100011192722 [0,1,0,0,0,1|2,0,0]=4 6446 B12R0.86 CCC(C)C(C)OCCCC(C)C 7a_100011215189_100011214892 [0,1,0,0,0,1|1,0,1]=4 6447 B12R0.86 CCC(C)C(C)OCCOC(C)C 7a_100011215189_100000211751 [0,1,0,0,0,1|1,0,1]=4 6448 B12R0.86 CCC(C)C(C)OCCSC(C)C 7a_100011215189_100000730970 [0,1,0,0,0,1|1,0,1]=4 6449 B12R0.86 CCC(O)C(=O)CCCCC(C)C 1458a_100011196387_100011216152 [0,1,0,0,0,1|1,0,0]=3 6450 B12R0.86 CCC(O)C(=O)NCCCC(C)C 240690a_200000737386_100011196387 [0,1,0,0,0,1|1,0,0]=3 6451 B12R0.86 CCC(O)C(=O)NCCCN(C)C 240690a_102531767803_100011196387 [0,1,0,0,0,1|2,0,0]=4 6452 B12R0.86 CCC(O)C(=O)NCCOC(C)C 240690a_100000701111_100011196387 [0,1,0,0,0,1|1,0,0]=3 6453 B12R0.86 CCC(O)C(=O)NCCSC(C)C 240690a_100000731138_100011196387 [0,1,0,0,0,1|1,0,0]=3 6454 B12R0.86 CCC(O)C(=O)NNCCN(C)C 22a_100000738145_100011196387 [0,1,0,0,0,1|2,0,0]=4 6455 B12R0.86 CCN(C)C(=O)CCCCC(C)C 11a_100000225621_100011933920 [0,1,0,0,0,1|2,0,0]=4 6456 B12R0.86 CCN(C)C(=O)CCCCC(C)C 1626a_100000225621_100011933920 [0,1,0,0,0,1|2,0,0]=4 6457 B12R0.86 CCN(C)C(=O)CCCCC(C)C 240690a_100000225621_100011933920 [0,1,0,0,0,1|2,0,0]=4 6458 B12R0.86 CCN(C)C(=O)CCCCC(C)C 527a_100000225621_100011933920 [0,1,0,0,0,1|2,0,0]=4 6459 B12R0.86 CCN(C)C(=O)COCCC(C)Br 34a_100009893172_100000738999 [0,1,0,0,0,1|2,0,0]=4 6460 B12R0.86 CCN(C)C(=O)COCCC(C)C 34a_100000210254_100000738999 [0,1,0,0,0,1|1,0,0]=3 6461 B12R0.86 CCN(C)C(=O)COCCC(C)C 7a_100000210254_100000738999 [0,1,0,0,0,1|1,0,0]=3 6462 B12R0.86 CCN(C)C(=O)COCC[C@@H](C)N 34a_100000706166_100000738999 [0,1,0,0,0,1|2,0,0]=4 6463 B12R0.86 CCN(C)C(=O)CSCCC(C)C 62a_100000210312_100000738999 [0,1,0,0,0,1|1,1,0]=4 6464 B12R0.86 CCN(C)C(=O)CSCCC(C)C 62a_100000738999_100000210312 [0,1,0,0,0,1|1,1,0]=4 6465 B12R0.86 CCN(C)C(=O)NCCCC(C)C 2708a_200000737386_100000225621 [0,1,0,0,0,1|2,0,0]=4 6466 B12R0.86 CCN(C)C(=O)NCCCC(C)C 273464a_200000737386_100000225621 [0,1,0,0,0,1|2,0,0]=4 6467 B12R0.86 CCN(C)C(=O)NCCOC(C)C 2708a_100000701111_100000225621 [0,1,0,0,0,1|2,0,0]=4 6468 B12R0.86 CCN(C)C(=O)NCCOC(C)C 273464a_100000701111_100000225621 [0,1,0,0,0,1|2,0,0]=4 6469 B12R0.86 CCN(C)C(=O)NCCSC(C)C 2708a_100000731138_100000225621 [0,1,0,0,0,1|2,0,0]=4 6470 B12R0.86 CCN(C)C(=O)NCCSC(C)C 273464a_100000731138_100000225621 [0,1,0,0,0,1|2,0,0]=4 6471 B12R0.86 COC(=O)C(=O)COCCC(C)C 34a_100000210254_100011610305 [0,1,0,0,0,1|1,0,1]=4 6472 B12R0.86 COC(C)C(=O)CCCCC(C)C 1458a_100000743197_100011216152 [0,1,0,0,0,1|2,0,0]=4 6473 B12R0.86 COC(C)C(=O)NCCCC(C)C 11a_200000737386_100000743197 [0,1,0,0,0,1|2,0,0]=4 6474 B12R0.86 COC(C)C(=O)NCCCC(C)C 1626a_200000737386_100000743197 [0,1,0,0,0,1|2,0,0]=4 6475 B12R0.86 COC(C)C(=O)NCCCC(C)C 240690a_200000737386_100000743197 [0,1,0,0,0,1|2,0,0]=4 6476 B12R0.86 COC(C)C(=O)NCCCC(C)C 527a_200000737386_100000743197 [0,1,0,0,0,1|2,0,0]=4 6477 B12R0.86 COC(C)C(=O)NCCOC(C)C 11a_100000701111_100000743197 [0,1,0,0,0,1|2,0,0]=4 6478 B12R0.86 COC(C)C(=O)NCCOC(C)C 1626a_100000701111_100000743197 [0,1,0,0,0,1|2,0,0]=4 6479 B12R0.86 COC(C)C(=O)NCCOC(C)C 240690a_100000701111_100000743197 [0,1,0,0,0,1|2,0,0]=4 6480 B12R0.86 COC(C)C(=O)NCCOC(C)C 527a_100000701111_100000743197 [0,1,0,0,0,1|2,0,0]=4 6481 B12R0.86 COC(C)C(=O)NCCSC(C)C 11a_100000731138_100000743197 [0,1,0,0,0,1|2,0,0]=4 6482 B12R0.86 COC(C)C(=O)NCCSC(C)C 1626a_100000731138_100000743197 [0,1,0,0,0,1|2,0,0]=4 6483 B12R0.86 COC(C)C(=O)NCCSC(C)C 240690a_100000731138_100000743197 [0,1,0,0,0,1|2,0,0]=4 6484 B12R0.86 COC(C)C(=O)NCCSC(C)C 527a_100000731138_100000743197 [0,1,0,0,0,1|2,0,0]=4 6485 B12R0.86 CON(C)C(=O)COCCC(C)C 7a_100000210254_100000764215 [0,1,0,0,0,1|2,0,0]=4 6486 B12R0.86 CSC(C)C(=O)CCCCC(C)C 1458a_100000149566_100011216152 [0,1,0,0,0,1|2,0,0]=4 6487 B12R0.86 CSC(C)C(=O)NCCCC(C)C 11a_200000737386_100000149566 [0,1,0,0,0,1|2,0,0]=4 6488 B12R0.86 CSC(C)C(=O)NCCCC(C)C 1626a_200000737386_100000149566 [0,1,0,0,0,1|2,0,0]=4 6489 B12R0.86 CSC(C)C(=O)NCCCC(C)C 240690a_200000737386_100000149566 [0,1,0,0,0,1|2,0,0]=4 6490 B12R0.86 CSC(C)C(=O)NCCCC(C)C 527a_200000737386_100000149566 [0,1,0,0,0,1|2,0,0]=4 6491 B12R0.86 CSC(C)C(=O)NCCOC(C)C 11a_100000701111_100000149566 [0,1,0,0,0,1|2,0,0]=4 6492 B12R0.86 CSC(C)C(=O)NCCOC(C)C 1626a_100000701111_100000149566 [0,1,0,0,0,1|2,0,0]=4 6493 B12R0.86 CSC(C)C(=O)NCCOC(C)C 240690a_100000701111_100000149566 [0,1,0,0,0,1|2,0,0]=4 6494 B12R0.86 CSC(C)C(=O)NCCOC(C)C 527a_100000701111_100000149566 [0,1,0,0,0,1|2,0,0]=4 6495 B12R0.86 CSC(C)C(=O)NCCSC(C)C 11a_100000731138_100000149566 [0,1,0,0,0,1|2,0,0]=4 6496 B12R0.86 CSC(C)C(=O)NCCSC(C)C 1626a_100000731138_100000149566 [0,1,0,0,0,1|2,0,0]=4 6497 B12R0.86 CSC(C)C(=O)NCCSC(C)C 240690a_100000731138_100000149566 [0,1,0,0,0,1|2,0,0]=4 6498 B12R0.86 CSC(C)C(=O)NCCSC(C)C 527a_100000731138_100000149566 [0,1,0,0,0,1|2,0,0]=4 6499 B12R0.95 C#CCCC(=O)CCCCC(C)C 1458a_100000692101_100011216152 [0,1,0,0,0,1|1,0,1]=4 6500 B12R0.95 C#CCCC(=O)CCCCC(C)C 1458a_100011933920_100000753159 [0,1,0,0,0,1|1,0,1]=4 6501 B12R0.95 C#CCCC(=O)CCOCC(C)C 34a_100011064465_100000210624 [0,1,0,0,0,1|1,0,1]=4 6502 B12R0.95 C#CCCC(=O)CCOCC(C)C 7a_100011064465_100000210760 [0,1,0,0,0,1|1,0,1]=4 6503 B12R0.95 C#CCCC(=O)NCCCC(C)C 11a_200000737386_100000692101 [0,1,0,0,0,1|1,0,1]=4 6504 B12R0.95 C#CCCC(=O)NCCCC(C)C 1626a_200000737386_100000692101 [0,1,0,0,0,1|1,0,1]=4 6505 B12R0.95 C#CCCC(=O)NCCCC(C)C 240690a_200000737386_100000692101 [0,1,0,0,0,1|1,0,1]=4 6506 B12R0.95 C#CCCC(=O)NCCCC(C)C 527a_200000737386_100000692101 [0,1,0,0,0,1|1,0,1]=4 6507 B12R0.95 C#CCCC(=O)NCCOC(C)C 11a_100000701111_100000692101 [0,1,0,0,0,1|1,0,1]=4 6508 B12R0.95 C#CCCC(=O)NCCOC(C)C 1626a_100000701111_100000692101 [0,1,0,0,0,1|1,0,1]=4 6509 B12R0.95 C#CCCC(=O)NCCOC(C)C 240690a_100000701111_100000692101 [0,1,0,0,0,1|1,0,1]=4 6510 B12R0.95 C#CCCC(=O)NCCOC(C)C 527a_100000701111_100000692101 [0,1,0,0,0,1|1,0,1]=4 6511 B12R0.95 C#CCCC(=O)NCCSC(C)C 11a_100000731138_100000692101 [0,1,0,0,0,1|1,0,1]=4 6512 B12R0.95 C#CCCC(=O)NCCSC(C)C 1626a_100000731138_100000692101 [0,1,0,0,0,1|1,0,1]=4 6513 B12R0.95 C#CCCC(=O)NCCSC(C)C 240690a_100000731138_100000692101 [0,1,0,0,0,1|1,0,1]=4 6514 B12R0.95 C#CCCC(=O)NCCSC(C)C 527a_100000731138_100000692101 [0,1,0,0,0,1|1,0,1]=4 6515 B12R0.95 C/C=C/CC(=O)CCCCC(C)C 1458a_100011933920_100102629194 [0,1,0,0,0,1|1,0,1]=4 6516 B12R0.95 C=C(C)CCOCC(=O)NCCC 34a_100000764851_100000183358 [0,1,0,0,0,1|0,0,2]=4 6517 B12R0.95 C=C(C)CCOCC(=O)OCCC 34a_100000764851_200011215008 [0,1,0,0,0,1|0,0,2]=4 6518 B12R0.95 C=C(C)COCOC(=O)OCCC 34a_100000210245_200000139673 [0,1,0,0,0,1|0,0,2]=4 6519 B12R0.95 C=C(C)CSCOC(=O)OCCC 62a_100000748629_200000139673 [0,1,0,0,0,1|0,0,2]=4 6520 B12R0.95 C=C(COCCC(C)C)OCOC 34a_100000210254_100000042856 [0,1,0,0,0,1|2,0,0]=4 6521 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100000749702_100011216152 [0,1,0,0,0,1|1,0,1]=4 6522 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100011933920_100000754431 [0,1,0,0,0,1|1,0,1]=4 6523 B12R0.95 C=CCCC(=O)NCCCC(C)C 11a_200000737386_100000749702 [0,1,0,0,0,1|1,0,1]=4 6524 B12R0.95 C=CCCC(=O)NCCCC(C)C 1626a_200000737386_100000749702 [0,1,0,0,0,1|1,0,1]=4 6525 B12R0.95 C=CCCC(=O)NCCCC(C)C 240690a_200000737386_100000749702 [0,1,0,0,0,1|1,0,1]=4 6526 B12R0.95 C=CCCC(=O)NCCCC(C)C 527a_200000737386_100000749702 [0,1,0,0,0,1|1,0,1]=4 6527 B12R0.95 C=CCCC(=O)NCCOC(C)C 11a_100000701111_100000749702 [0,1,0,0,0,1|1,0,1]=4 6528 B12R0.95 C=CCCC(=O)NCCOC(C)C 1626a_100000701111_100000749702 [0,1,0,0,0,1|1,0,1]=4 6529 B12R0.95 C=CCCC(=O)NCCOC(C)C 240690a_100000701111_100000749702 [0,1,0,0,0,1|1,0,1]=4 6530 B12R0.95 C=CCCC(=O)NCCOC(C)C 527a_100000701111_100000749702 [0,1,0,0,0,1|1,0,1]=4 6531 B12R0.95 C=CCCC(=O)NCCSC(C)C 11a_100000731138_100000749702 [0,1,0,0,0,1|1,0,1]=4 6532 B12R0.95 C=CCCC(=O)NCCSC(C)C 1626a_100000731138_100000749702 [0,1,0,0,0,1|1,0,1]=4 6533 B12R0.95 C=CCCC(=O)NCCSC(C)C 240690a_100000731138_100000749702 [0,1,0,0,0,1|1,0,1]=4 6534 B12R0.95 C=CCCC(=O)NCCSC(C)C 527a_100000731138_100000749702 [0,1,0,0,0,1|1,0,1]=4 6535 B12R0.95 C=CCNC(=O)COCCC(C)C 7a_100000210254_100000183597 [0,1,0,0,0,1|0,0,2]=4 6536 B12R0.95 C=CCOC(=O)COCCC(C)C 34a_100000210254_100000033060 [0,1,0,0,0,1|0,0,2]=4 6537 B12R0.95 C=CCOC(=O)COCCC(C)C 7a_100000210254_100000033060 [0,1,0,0,0,1|0,0,2]=4 6538 B12R0.95 CC#CCC(=O)CCCCC(C)C 1458a_100011933920_100000748600 [0,1,0,0,0,1|1,0,1]=4 6539 B12R0.95 CC(C)CCCCC(=O)CCC#N 1458a_100011933920_100011215226 [0,1,0,0,0,1|1,0,1]=4 6540 B12R0.95 CC(C)CCCCC(=O)CCC#N 1458a_100011934036_100011216152 [0,1,0,0,0,1|1,0,1]=4 6541 B12R0.95 CC(C)CCCCC(=O)CCCF 1458a_100011933920_100011934791 [0,1,0,0,0,1|1,0,0]=3 6542 B12R0.95 CC(C)CCCCC(=O)CCCO 1458a_100011933920_100011215043 [0,1,0,0,0,1|1,0,0]=3 6543 B12R0.95 CC(C)CCCCC(=O)NCCF 11a_100000724931_100011933920 [0,1,0,0,0,1|2,0,0]=4 6544 B12R0.95 CC(C)CCCCC(=O)NCCF 1626a_100000724931_100011933920 [0,1,0,0,0,1|2,0,0]=4 6545 B12R0.95 CC(C)CCCCC(=O)NCCF 240690a_100000724931_100011933920 [0,1,0,0,0,1|2,0,0]=4 6546 B12R0.95 CC(C)CCCCC(=O)NCCF 527a_100000724931_100011933920 [0,1,0,0,0,1|2,0,0]=4 6547 B12R0.95 CC(C)CCCCC(=O)NCCO 240690a_100000210304_100011933920 [0,1,0,0,0,1|2,0,0]=4 6548 B12R0.95 CC(C)CCCCC(=O)NCCO 527a_100000210304_100011933920 [0,1,0,0,0,1|2,0,0]=4 6549 B12R0.95 CC(C)CCCNC(=O)CCC#N 11a_200000737386_100011934036 [0,1,0,0,0,1|1,0,1]=4 6550 B12R0.95 CC(C)CCCNC(=O)CCC#N 1626a_200000737386_100011934036 [0,1,0,0,0,1|1,0,1]=4 6551 B12R0.95 CC(C)CCCNC(=O)CCC#N 240690a_200000737386_100011934036 [0,1,0,0,0,1|1,0,1]=4 6552 B12R0.95 CC(C)CCCNC(=O)CCC#N 527a_200000737386_100011934036 [0,1,0,0,0,1|1,0,1]=4 6553 B12R0.95 CC(C)CCCNC(=O)NCCF 2708a_200000737386_100000724931 [0,1,0,0,0,1|2,0,0]=4 6554 B12R0.95 CC(C)CCCNC(=O)NCCF 273464a_100000724931_200000737386 [0,1,0,0,0,1|2,0,0]=4 6555 B12R0.95 CC(C)CCCNC(=O)NCCF 273464a_200000737386_100000724931 [0,1,0,0,0,1|2,0,0]=4 6556 B12R0.95 CC(C)CCCNC(=O)NCCF 512a_200000737386_100000724931 [0,1,0,0,0,1|2,0,0]=4 6557 B12R0.95 CC(C)CCCNC(=O)NCCO 2708a_200000737386_100000210304 [0,1,0,0,0,1|2,0,0]=4 6558 B12R0.95 CC(C)CCCNC(=O)NCCO 273464a_100000210304_200000737386 [0,1,0,0,0,1|2,0,0]=4 6559 B12R0.95 CC(C)CCCNC(=O)NCCO 273464a_200000737386_100000210304 [0,1,0,0,0,1|2,0,0]=4 6560 B12R0.95 CC(C)CCCNC(=O)NCCO 512a_200000737386_100000210304 [0,1,0,0,0,1|2,0,0]=4 6561 B12R0.95 CC(C)CCCOC(C)CCCCl 34a_200000718107_100011214892 [0,1,0,0,0,1|1,0,1]=4 6562 B12R0.95 CC(C)CCCOC(C)CCCCl 7a_200000718107_100011214892 [0,1,0,0,0,1|1,0,1]=4 6563 B12R0.95 CC(C)CCNCC(=O)NCCF 2230a_100000725713_100000210312 [0,1,0,0,0,1|2,0,0]=4 6564 B12R0.95 CC(C)CCOCC(=O)NCC#N 7a_100000210254_100000736037 [0,1,0,0,0,1|1,0,1]=4 6565 B12R0.95 CC(C)OCCNC(=O)CCC#N 11a_100000701111_100011934036 [0,1,0,0,0,1|1,0,1]=4 6566 B12R0.95 CC(C)OCCNC(=O)CCC#N 1626a_100000701111_100011934036 [0,1,0,0,0,1|1,0,1]=4 6567 B12R0.95 CC(C)OCCNC(=O)CCC#N 240690a_100000701111_100011934036 [0,1,0,0,0,1|1,0,1]=4 6568 B12R0.95 CC(C)OCCNC(=O)CCC#N 527a_100000701111_100011934036 [0,1,0,0,0,1|1,0,1]=4 6569 B12R0.95 CC(C)OCCNC(=O)NCCF 2708a_100000701111_100000724931 [0,1,0,0,0,1|2,0,0]=4 6570 B12R0.95 CC(C)OCCNC(=O)NCCF 273464a_100000701111_100000724931 [0,1,0,0,0,1|2,0,0]=4 6571 B12R0.95 CC(C)OCCNC(=O)NCCF 273464a_100000724931_100000701111 [0,1,0,0,0,1|2,0,0]=4 6572 B12R0.95 CC(C)OCCNC(=O)NCCF 512a_100000701111_100000724931 [0,1,0,0,0,1|2,0,0]=4 6573 B12R0.95 CC(C)OCCNC(=O)NCCO 2708a_100000701111_100000210304 [0,1,0,0,0,1|2,0,0]=4 6574 B12R0.95 CC(C)OCCNC(=O)NCCO 273464a_100000210304_100000701111 [0,1,0,0,0,1|2,0,0]=4 6575 B12R0.95 CC(C)OCCNC(=O)NCCO 273464a_100000701111_100000210304 [0,1,0,0,0,1|2,0,0]=4 6576 B12R0.95 CC(C)OCCNC(=O)NCCO 512a_100000701111_100000210304 [0,1,0,0,0,1|2,0,0]=4 6577 B12R0.95 CC(C)OCCOC(C)CCCCl 34a_200000718107_100000211751 [0,1,0,0,0,1|1,0,1]=4 6578 B12R0.95 CC(C)OCCOC(C)CCCCl 7a_200000718107_100000211751 [0,1,0,0,0,1|1,0,1]=4 6579 B12R0.95 CC(C)SCCNC(=O)CCC#N 11a_100000731138_100011934036 [0,1,0,0,0,1|1,0,1]=4 6580 B12R0.95 CC(C)SCCNC(=O)CCC#N 1626a_100000731138_100011934036 [0,1,0,0,0,1|1,0,1]=4 6581 B12R0.95 CC(C)SCCNC(=O)CCC#N 240690a_100000731138_100011934036 [0,1,0,0,0,1|1,0,1]=4 6582 B12R0.95 CC(C)SCCNC(=O)CCC#N 527a_100000731138_100011934036 [0,1,0,0,0,1|1,0,1]=4 6583 B12R0.95 CC(C)SCCNC(=O)NCCF 2708a_100000731138_100000724931 [0,1,0,0,0,1|2,0,0]=4 6584 B12R0.95 CC(C)SCCNC(=O)NCCF 273464a_100000724931_100000731138 [0,1,0,0,0,1|2,0,0]=4 6585 B12R0.95 CC(C)SCCNC(=O)NCCF 273464a_100000731138_100000724931 [0,1,0,0,0,1|2,0,0]=4 6586 B12R0.95 CC(C)SCCNC(=O)NCCF 512a_100000731138_100000724931 [0,1,0,0,0,1|2,0,0]=4 6587 B12R0.95 CC(C)SCCNC(=O)NCCO 2708a_100000731138_100000210304 [0,1,0,0,0,1|2,0,0]=4 6588 B12R0.95 CC(C)SCCNC(=O)NCCO 273464a_100000210304_100000731138 [0,1,0,0,0,1|2,0,0]=4 6589 B12R0.95 CC(C)SCCNC(=O)NCCO 273464a_100000731138_100000210304 [0,1,0,0,0,1|2,0,0]=4 6590 B12R0.95 CC(C)SCCNC(=O)NCCO 512a_100000731138_100000210304 [0,1,0,0,0,1|2,0,0]=4 6591 B12R0.95 CC(CCCCl)OCCSC(C)C 34a_200000718107_100000730970 [0,1,0,0,0,1|1,0,1]=4 6592 B12R0.95 CC(CCCCl)OCCSC(C)C 7a_200000718107_100000730970 [0,1,0,0,0,1|1,0,1]=4 6593 B12R0.95 CC=CCC(=O)CCCCC(C)C 1458a_100011933920_100000070051 [0,1,0,0,0,1|1,0,1]=4 6594 B12R0.95 CC=CCC(=O)CCCCC(C)C 1458a_100121576822_100011216152 [0,1,0,0,0,1|1,0,1]=4 6595 B12R0.95 CC=CCC(=O)NCCCC(C)C 11a_200000737386_100121576822 [0,1,0,0,0,1|1,0,1]=4 6596 B12R0.95 CC=CCC(=O)NCCCC(C)C 1626a_200000737386_100121576822 [0,1,0,0,0,1|1,0,1]=4 6597 B12R0.95 CC=CCC(=O)NCCCC(C)C 240690a_200000737386_100121576822 [0,1,0,0,0,1|1,0,1]=4 6598 B12R0.95 CC=CCC(=O)NCCCC(C)C 527a_200000737386_100121576822 [0,1,0,0,0,1|1,0,1]=4 6599 B12R0.95 CC=CCC(=O)NCCOC(C)C 11a_100000701111_100121576822 [0,1,0,0,0,1|1,0,1]=4 6600 B12R0.95 CC=CCC(=O)NCCOC(C)C 1626a_100000701111_100121576822 [0,1,0,0,0,1|1,0,1]=4 6601 B12R0.95 CC=CCC(=O)NCCOC(C)C 240690a_100000701111_100121576822 [0,1,0,0,0,1|1,0,1]=4 6602 B12R0.95 CC=CCC(=O)NCCOC(C)C 527a_100000701111_100121576822 [0,1,0,0,0,1|1,0,1]=4 6603 B12R0.95 CC=CCC(=O)NCCSC(C)C 11a_100000731138_100121576822 [0,1,0,0,0,1|1,0,1]=4 6604 B12R0.95 CC=CCC(=O)NCCSC(C)C 1626a_100000731138_100121576822 [0,1,0,0,0,1|1,0,1]=4 6605 B12R0.95 CC=CCC(=O)NCCSC(C)C 240690a_100000731138_100121576822 [0,1,0,0,0,1|1,0,1]=4 6606 B12R0.95 CC=CCC(=O)NCCSC(C)C 527a_100000731138_100121576822 [0,1,0,0,0,1|1,0,1]=4 6607 B12R0.95 CCC#CC(=O)CCCCC(C)C 1458a_100011827653_100011216152 [0,1,0,0,0,1|1,0,1]=4 6608 B12R0.95 CCC=CC(=O)CCCCC(C)C 1458a_100000212282_100011216152 [0,1,0,0,0,1|1,0,1]=4 6609 B12R0.95 CCC=CC(=O)NCCCC(C)C 11a_200000737386_100000212282 [0,1,0,0,0,1|1,0,1]=4 6610 B12R0.95 CCC=CC(=O)NCCCC(C)C 1626a_200000737386_100000212282 [0,1,0,0,0,1|1,0,1]=4 6611 B12R0.95 CCC=CC(=O)NCCCC(C)C 240690a_200000737386_100000212282 [0,1,0,0,0,1|1,0,1]=4 6612 B12R0.95 CCC=CC(=O)NCCOC(C)C 11a_100000701111_100000212282 [0,1,0,0,0,1|1,0,1]=4 6613 B12R0.95 CCC=CC(=O)NCCOC(C)C 1626a_100000701111_100000212282 [0,1,0,0,0,1|1,0,1]=4 6614 B12R0.95 CCC=CC(=O)NCCOC(C)C 240690a_100000701111_100000212282 [0,1,0,0,0,1|1,0,1]=4 6615 B12R0.95 CCC=CC(=O)NCCSC(C)C 11a_100000731138_100000212282 [0,1,0,0,0,1|1,0,1]=4 6616 B12R0.95 CCC=CC(=O)NCCSC(C)C 1626a_100000731138_100000212282 [0,1,0,0,0,1|1,0,1]=4 6617 B12R0.95 CCC=CC(=O)NCCSC(C)C 240690a_100000731138_100000212282 [0,1,0,0,0,1|1,0,1]=4 6618 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100000210183_100011216152 [0,1,0,0,0,1|1,0,0]=3 6619 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210211 [0,1,0,0,0,1|1,0,0]=3 6620 B12R0.95 CCCCC(=O)NCCCC(C)C 11a_200000737386_100000210183 [0,1,0,0,0,1|1,0,0]=3 6621 B12R0.95 CCCCC(=O)NCCCC(C)C 1626a_200000737386_100000210183 [0,1,0,0,0,1|1,0,0]=3 6622 B12R0.95 CCCCC(=O)NCCCC(C)C 240690a_200000737386_100000210183 [0,1,0,0,0,1|1,0,0]=3 6623 B12R0.95 CCCCC(=O)NCCCC(C)C 527a_200000737386_100000210183 [0,1,0,0,0,1|1,0,0]=3 6624 B12R0.95 CCCCC(=O)NCCCN(C)C 240690a_102531767803_100000210183 [0,1,0,0,0,1|2,0,0]=4 6625 B12R0.95 CCCCC(=O)NCCCN(C)C 527a_102531767803_100000210183 [0,1,0,0,0,1|2,0,0]=4 6626 B12R0.95 CCCCC(=O)NCCOC(C)C 11a_100000701111_100000210183 [0,1,0,0,0,1|1,0,0]=3 6627 B12R0.95 CCCCC(=O)NCCOC(C)C 1626a_100000701111_100000210183 [0,1,0,0,0,1|1,0,0]=3 6628 B12R0.95 CCCCC(=O)NCCOC(C)C 240690a_100000701111_100000210183 [0,1,0,0,0,1|1,0,0]=3 6629 B12R0.95 CCCCC(=O)NCCOC(C)C 527a_100000701111_100000210183 [0,1,0,0,0,1|1,0,0]=3 6630 B12R0.95 CCCCC(=O)NCCSC(C)C 11a_100000731138_100000210183 [0,1,0,0,0,1|1,0,0]=3 6631 B12R0.95 CCCCC(=O)NCCSC(C)C 1626a_100000731138_100000210183 [0,1,0,0,0,1|1,0,0]=3 6632 B12R0.95 CCCCC(=O)NCCSC(C)C 240690a_100000731138_100000210183 [0,1,0,0,0,1|1,0,0]=3 6633 B12R0.95 CCCCC(=O)NCCSC(C)C 527a_100000731138_100000210183 [0,1,0,0,0,1|1,0,0]=3 6634 B12R0.95 CCCCC(=O)NN=CCC(C)C 4a_100000189769_100000185833 [0,1,0,0,0,1|1,0,1]=4 6635 B12R0.95 CCCCC(=O)NNCCN(C)C 22a_100000738145_100000210183 [0,1,0,0,0,1|2,0,0]=4 6636 B12R0.95 CCCCC(C)COCCC(C)C 34a_100011995851_100000210312 [0,1,0,0,0,1|1,0,1]=4 6637 B12R0.95 CCCCC(C)COCCC(C)C 7a_100011995851_100000210626 [0,1,0,0,0,1|1,0,1]=4 6638 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000210774_200011215066 [0,1,0,0,0,1|1,0,1]=4 6639 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000687866_100011214892 [0,1,0,0,0,1|1,0,1]=4 6640 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000210774_200011215066 [0,1,0,0,0,1|1,0,1]=4 6641 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000687866_100011214892 [0,1,0,0,0,1|1,0,1]=4 6642 B12R0.95 CCCCC(C)OCCNC(C)C 34a_100000224655_200011215066 [0,1,0,0,0,1|1,0,1]=4 6643 B12R0.95 CCCCC(C)OCCOC(C)C 34a_100000211219_200011215066 [0,1,0,0,0,1|1,0,1]=4 6644 B12R0.95 CCCCC(C)OCCOC(C)C 34a_100000687866_100000211751 [0,1,0,0,0,1|1,0,1]=4 6645 B12R0.95 CCCCC(C)OCCOC(C)C 7a_100000211219_200011215066 [0,1,0,0,0,1|1,0,1]=4 6646 B12R0.95 CCCCC(C)OCCOC(C)C 7a_100000687866_100000211751 [0,1,0,0,0,1|1,0,1]=4 6647 B12R0.95 CCCCC(C)OCCSC(C)C 34a_100000687866_100000730970 [0,1,0,0,0,1|1,0,1]=4 6648 B12R0.95 CCCCC(C)OCCSC(C)C 34a_200011212901_200011215066 [0,1,0,0,0,1|1,0,1]=4 6649 B12R0.95 CCCCC(C)OCCSC(C)C 7a_100000687866_100000730970 [0,1,0,0,0,1|1,0,1]=4 6650 B12R0.95 CCCCC(C)OCCSC(C)C 7a_200011212901_200011215066 [0,1,0,0,0,1|1,0,1]=4 6651 B12R0.95 CCCC[C@H](N)COCCC(C)C 34a_100011934283_100000210312 [0,1,0,0,0,1|1,0,1]=4 6652 B12R0.95 CCCNC(=O)CCCCC(C)C 11a_100020643023_100011933920 [0,1,0,0,0,1|1,0,0]=3 6653 B12R0.95 CCCNC(=O)CCCCC(C)C 1626a_100020643023_100011933920 [0,1,0,0,0,1|1,0,0]=3 6654 B12R0.95 CCCNC(=O)CCCCC(C)C 240690a_100020643023_100011933920 [0,1,0,0,0,1|1,0,0]=3 6655 B12R0.95 CCCNC(=O)CCCCC(C)C 527a_100020643023_100011933920 [0,1,0,0,0,1|1,0,0]=3 6656 B12R0.95 CCCNC(=O)CCCCN(C)C 11a_100020643023_100000751710 [0,1,0,0,0,1|2,0,0]=4 6657 B12R0.95 CCCNC(=O)CCCCN(C)C 240690a_100020643023_100000751710 [0,1,0,0,0,1|2,0,0]=4 6658 B12R0.95 CCCNC(=O)CCCCN(C)C 527a_100020643023_100000751710 [0,1,0,0,0,1|2,0,0]=4 6659 B12R0.95 CCCNC(=O)CCCNC(C)C 2230a_100138425928_100011194427 [0,1,0,0,0,1|1,0,0]=3 6660 B12R0.95 CCCNC(=O)CCCSC(C)C 62a_100000210206_100011194427 [0,1,0,0,0,1|1,0,0]=3 6661 B12R0.95 CCCNC(=O)CCCSC(C)C 62a_100011194427_100000210206 [0,1,0,0,0,1|1,0,0]=3 6662 B12R0.95 CCCNC(=O)CNCCC(C)C 2230a_100000174927_100000210312 [0,1,0,0,0,1|1,0,0]=3 6663 B12R0.95 CCCNC(=O)CNCCC(C)C 269862a_100000174927_100000185833 [0,1,0,0,0,1|1,0,0]=3 6664 B12R0.95 CCCNC(=O)CNCCC(C)O 2230a_100000174927_100012276601 [0,1,0,0,0,1|2,0,0]=4 6665 B12R0.95 CCCNC(=O)CNCCC(C)O 2230a_200000755665_100000183358 [0,1,0,0,0,1|2,0,0]=4 6666 B12R0.95 CCCNC(=O)CNCOC(C)C 2230a_100000174927_100000709892 [0,1,0,0,0,1|2,0,0]=4 6667 B12R0.95 CCCNC(=O)COCC=C(C)C 34a_100000753907_100000183358 [0,1,0,0,0,1|0,0,2]=4 6668 B12R0.95 CCCNC(=O)COCCC(=O)C 34a_100000759926_100000183358 [0,1,0,0,0,1|1,0,1]=4 6669 B12R0.95 CCCNC(=O)COCCC(=O)C 7a_100000759926_100000183358 [0,1,0,0,0,1|1,0,1]=4 6670 B12R0.95 CCCNC(=O)COCCC(C)Br 34a_100009893172_100000183358 [0,1,0,0,0,1|1,0,0]=3 6671 B12R0.95 CCCNC(=O)COCCC(C)C 34a_100000210254_100000183358 [0,1,0,0,0,1|0,0,0]=2 6672 B12R0.95 CCCNC(=O)COCCC(C)C 7a_100000210254_100000183358 [0,1,0,0,0,1|0,0,0]=2 6673 B12R0.95 CCCNC(=O)COCCC(F)F 34a_100103093639_100000183358 [0,1,0,0,0,1|2,0,0]=4 6674 B12R0.95 CCCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183358 [0,1,0,0,0,1|1,0,0]=3 6675 B12R0.95 CCCNC(=O)CSCCC(C)C 62a_100000183358_100000210312 [0,1,0,0,0,1|0,1,0]=3 6676 B12R0.95 CCCNC(=O)CSCCC(C)C 62a_100000210312_100000183358 [0,1,0,0,0,1|0,1,0]=3 6677 B12R0.95 CCCNC(=O)CSCCC(C)O 62a_100000183358_100012276601 [0,1,0,0,0,1|1,1,0]=4 6678 B12R0.95 CCCNC(=O)CSCCC(C)O 62a_100012276601_100000183358 [0,1,0,0,0,1|1,1,0]=4 6679 B12R0.95 CCCNC(=O)CSCCN(C)C 62a_100000183358_100000755713 [0,1,0,0,0,1|1,1,0]=4 6680 B12R0.95 CCCNC(=O)CSCOC(C)C 62a_100000183358_100000709892 [0,1,0,0,0,1|1,1,0]=4 6681 B12R0.95 CCCNC(=O)CSCOC(C)C 62a_100000709892_100000183358 [0,1,0,0,0,1|1,1,0]=4 6682 B12R0.95 CCCNC(=O)NCCCC(C)C 2708a_100020643023_200000737386 [0,1,0,0,0,1|1,0,0]=3 6683 B12R0.95 CCCNC(=O)NCCCC(C)C 2708a_200000737386_100020643023 [0,1,0,0,0,1|1,0,0]=3 6684 B12R0.95 CCCNC(=O)NCCCC(C)C 273464a_100020643023_200000737386 [0,1,0,0,0,1|1,0,0]=3 6685 B12R0.95 CCCNC(=O)NCCCC(C)C 273464a_200000737386_100020643023 [0,1,0,0,0,1|1,0,0]=3 6686 B12R0.95 CCCNC(=O)NCCCC(C)C 512a_100020643023_200000737386 [0,1,0,0,0,1|1,0,0]=3 6687 B12R0.95 CCCNC(=O)NCCCC(C)C 512a_200000737386_100020643023 [0,1,0,0,0,1|1,0,0]=3 6688 B12R0.95 CCCNC(=O)NCCCN(C)C 2708a_100020643023_102531767803 [0,1,0,0,0,1|2,0,0]=4 6689 B12R0.95 CCCNC(=O)NCCCN(C)C 273464a_100020643023_102531767803 [0,1,0,0,0,1|2,0,0]=4 6690 B12R0.95 CCCNC(=O)NCCCN(C)C 273464a_102531767803_100020643023 [0,1,0,0,0,1|2,0,0]=4 6691 B12R0.95 CCCNC(=O)NCCCN(C)C 512a_100020643023_102531767803 [0,1,0,0,0,1|2,0,0]=4 6692 B12R0.95 CCCNC(=O)NCCCN(C)C 512a_102531767803_100020643023 [0,1,0,0,0,1|2,0,0]=4 6693 B12R0.95 CCCNC(=O)NCCOC(C)C 2708a_100000701111_100020643023 [0,1,0,0,0,1|1,0,0]=3 6694 B12R0.95 CCCNC(=O)NCCOC(C)C 2708a_100020643023_100000701111 [0,1,0,0,0,1|1,0,0]=3 6695 B12R0.95 CCCNC(=O)NCCOC(C)C 273464a_100000701111_100020643023 [0,1,0,0,0,1|1,0,0]=3 6696 B12R0.95 CCCNC(=O)NCCOC(C)C 273464a_100020643023_100000701111 [0,1,0,0,0,1|1,0,0]=3 6697 B12R0.95 CCCNC(=O)NCCOC(C)C 512a_100000701111_100020643023 [0,1,0,0,0,1|1,0,0]=3 6698 B12R0.95 CCCNC(=O)NCCOC(C)C 512a_100020643023_100000701111 [0,1,0,0,0,1|1,0,0]=3 6699 B12R0.95 CCCNC(=O)NCCSC(C)C 2708a_100000731138_100020643023 [0,1,0,0,0,1|1,0,0]=3 6700 B12R0.95 CCCNC(=O)NCCSC(C)C 2708a_100020643023_100000731138 [0,1,0,0,0,1|1,0,0]=3 6701 B12R0.95 CCCNC(=O)NCCSC(C)C 273464a_100000731138_100020643023 [0,1,0,0,0,1|1,0,0]=3 6702 B12R0.95 CCCNC(=O)NCCSC(C)C 273464a_100020643023_100000731138 [0,1,0,0,0,1|1,0,0]=3 6703 B12R0.95 CCCNC(=O)NCCSC(C)C 512a_100000731138_100020643023 [0,1,0,0,0,1|1,0,0]=3 6704 B12R0.95 CCCNC(=O)NCCSC(C)C 512a_100020643023_100000731138 [0,1,0,0,0,1|1,0,0]=3 6705 B12R0.95 CCCNC(=O)NNCCN(C)C 273464a_100020643023_100000738145 [0,1,0,0,0,1|2,0,0]=4 6706 B12R0.95 CCCNC(=O)NNCCN(C)C 512a_100020643023_100000738145 [0,1,0,0,0,1|2,0,0]=4 6707 B12R0.95 CCCOC(=O)CNCCC(C)O 2230a_200000755665_200011215008 [0,1,0,0,0,1|2,0,0]=4 6708 B12R0.95 CCCOC(=O)COCC=C(C)C 34a_100000753907_200011215008 [0,1,0,0,0,1|0,0,2]=4 6709 B12R0.95 CCCOC(=O)COCCC(=O)C 34a_100000759926_200011215008 [0,1,0,0,0,1|1,0,1]=4 6710 B12R0.95 CCCOC(=O)COCCC(=O)C 7a_100000759926_200011215008 [0,1,0,0,0,1|1,0,1]=4 6711 B12R0.95 CCCOC(=O)COCCC(C)Br 34a_100009893172_200011215008 [0,1,0,0,0,1|1,0,0]=3 6712 B12R0.95 CCCOC(=O)COCCC(C)C 34a_100000210254_200011215008 [0,1,0,0,0,1|0,0,0]=2 6713 B12R0.95 CCCOC(=O)COCCC(C)C 7a_100000210254_200011215008 [0,1,0,0,0,1|0,0,0]=2 6714 B12R0.95 CCCOC(=O)COCCC(F)F 34a_100103093639_200011215008 [0,1,0,0,0,1|2,0,0]=4 6715 B12R0.95 CCCOC(=O)COCC[C@@H](C)N 34a_100000706166_200011215008 [0,1,0,0,0,1|1,0,0]=3 6716 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_100000210312_200011215008 [0,1,0,0,0,1|0,1,0]=3 6717 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_200011215008_100000210312 [0,1,0,0,0,1|0,1,0]=3 6718 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_100012276601_200011215008 [0,1,0,0,0,1|1,1,0]=4 6719 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_200011215008_100012276601 [0,1,0,0,0,1|1,1,0]=4 6720 B12R0.95 CCCOC(=O)CSCCN(C)C 62a_200011215008_100000755713 [0,1,0,0,0,1|1,1,0]=4 6721 B12R0.95 CCCOC(=O)CSCOC(C)C 62a_100000709892_200011215008 [0,1,0,0,0,1|1,1,0]=4 6722 B12R0.95 CCCOC(=O)CSCOC(C)C 62a_200011215008_100000709892 [0,1,0,0,0,1|1,1,0]=4 6723 B12R0.95 CCCOC(=O)OCNCC(C)C 34a_100000210953_200000139673 [0,1,0,0,0,1|0,0,0]=2 6724 B12R0.95 CCCOC(=O)OCNCC(C)O 34a_100000210904_200000139673 [0,1,0,0,0,1|1,0,0]=3 6725 B12R0.95 CCCOC(=O)OCNCC(F)F 34a_100000765723_200000139673 [0,1,0,0,0,1|2,0,0]=4 6726 B12R0.95 CCCOC(=O)OCOCC(=O)C 34a_100000211253_200000139673 [0,1,0,0,0,1|1,0,1]=4 6727 B12R0.95 CCCOC(=O)OCOCC(C)Br 34a_100012180447_200000139673 [0,1,0,0,0,1|1,0,0]=3 6728 B12R0.95 CCCOC(=O)OCOCC(C)C 34a_100000210257_200000139673 [0,1,0,0,0,1|0,0,0]=2 6729 B12R0.95 CCCOC(=O)OCOCC(C)F 34a_100015925927_200000139673 [0,1,0,0,0,1|1,0,0]=3 6730 B12R0.95 CCCOC(=O)OCOCC(F)F 34a_100000743014_200000139673 [0,1,0,0,0,1|2,0,0]=4 6731 B12R0.95 CCCOC(=O)OCOC[C@@H](C)Cl 34a_100016084084_200000139673 [0,1,0,0,0,1|1,0,0]=3 6732 B12R0.95 CCCOC(=O)OCOC[C@@H](C)N 34a_100000737577_200000139673 [0,1,0,0,0,1|1,0,0]=3 6733 B12R0.95 CCCOC(=O)OCSCC(C)C 62a_100000210624_200000139673 [0,1,0,0,0,1|0,0,0]=2 6734 B12R0.95 CCCOC(=O)OCSCC(C)O 62a_100011218427_200000139673 [0,1,0,0,0,1|1,0,0]=3 6735 B12R0.95 CCCOC(=O)OCSCC(F)F 62a_100011934356_200000139673 [0,1,0,0,0,1|2,0,0]=4 6736 B12R0.95 CCCOC(=O)OCSC[C@@H](C)O 62a_100009817552_200000139673 [0,1,0,0,0,1|1,0,0]=3 6737 B12R0.95 CCNNC(=O)CCCCC(C)C 22a_100000756455_100011933920 [0,1,0,0,0,1|2,0,0]=4 6738 B12R0.95 CCNNC(=O)NCCCC(C)C 273464a_200000737386_100000756455 [0,1,0,0,0,1|2,0,0]=4 6739 B12R0.95 CCNNC(=O)NCCCC(C)C 512a_100000756455_200000737386 [0,1,0,0,0,1|2,0,0]=4 6740 B12R0.95 CCNNC(=O)NCCCC(C)C 512a_200000737386_100000756455 [0,1,0,0,0,1|2,0,0]=4 6741 B12R0.95 CCNNC(=O)NCCOC(C)C 273464a_100000701111_100000756455 [0,1,0,0,0,1|2,0,0]=4 6742 B12R0.95 CCNNC(=O)NCCOC(C)C 512a_100000701111_100000756455 [0,1,0,0,0,1|2,0,0]=4 6743 B12R0.95 CCNNC(=O)NCCOC(C)C 512a_100000756455_100000701111 [0,1,0,0,0,1|2,0,0]=4 6744 B12R0.95 CCNNC(=O)NCCSC(C)C 273464a_100000731138_100000756455 [0,1,0,0,0,1|2,0,0]=4 6745 B12R0.95 CCNNC(=O)NCCSC(C)C 512a_100000731138_100000756455 [0,1,0,0,0,1|2,0,0]=4 6746 B12R0.95 CCNNC(=O)NCCSC(C)C 512a_100000756455_100000731138 [0,1,0,0,0,1|2,0,0]=4 6747 B12R0.95 CCOCC(=O)CCCCC(C)C 1458a_100000211967_100011216152 [0,1,0,0,0,1|1,0,0]=3 6748 B12R0.95 CCOCC(=O)NCCCC(C)C 11a_200000737386_100000211967 [0,1,0,0,0,1|1,0,0]=3 6749 B12R0.95 CCOCC(=O)NCCCC(C)C 1626a_200000737386_100000211967 [0,1,0,0,0,1|1,0,0]=3 6750 B12R0.95 CCOCC(=O)NCCCC(C)C 240690a_200000737386_100000211967 [0,1,0,0,0,1|1,0,0]=3 6751 B12R0.95 CCOCC(=O)NCCCC(C)C 527a_200000737386_100000211967 [0,1,0,0,0,1|1,0,0]=3 6752 B12R0.95 CCOCC(=O)NCCCN(C)C 240690a_102531767803_100000211967 [0,1,0,0,0,1|2,0,0]=4 6753 B12R0.95 CCOCC(=O)NCCCN(C)C 527a_102531767803_100000211967 [0,1,0,0,0,1|2,0,0]=4 6754 B12R0.95 CCOCC(=O)NCCOC(C)C 11a_100000701111_100000211967 [0,1,0,0,0,1|1,0,0]=3 6755 B12R0.95 CCOCC(=O)NCCOC(C)C 1626a_100000701111_100000211967 [0,1,0,0,0,1|1,0,0]=3 6756 B12R0.95 CCOCC(=O)NCCOC(C)C 240690a_100000701111_100000211967 [0,1,0,0,0,1|1,0,0]=3 6757 B12R0.95 CCOCC(=O)NCCOC(C)C 527a_100000701111_100000211967 [0,1,0,0,0,1|1,0,0]=3 6758 B12R0.95 CCOCC(=O)NCCSC(C)C 11a_100000731138_100000211967 [0,1,0,0,0,1|1,0,0]=3 6759 B12R0.95 CCOCC(=O)NCCSC(C)C 1626a_100000731138_100000211967 [0,1,0,0,0,1|1,0,0]=3 6760 B12R0.95 CCOCC(=O)NCCSC(C)C 240690a_100000731138_100000211967 [0,1,0,0,0,1|1,0,0]=3 6761 B12R0.95 CCOCC(=O)NCCSC(C)C 527a_100000731138_100000211967 [0,1,0,0,0,1|1,0,0]=3 6762 B12R0.95 CCOCC(=O)NN=CCC(C)C 4a_100000216846_100000185833 [0,1,0,0,0,1|1,0,1]=4 6763 B12R0.95 CCOCC(=O)NNCCN(C)C 22a_100000738145_100000211967 [0,1,0,0,0,1|2,0,0]=4 6764 B12R0.95 CCOCC(C)OCCCC(C)C 34a_100000718985_100011214892 [0,1,0,0,0,1|1,0,1]=4 6765 B12R0.95 CCOCC(C)OCCCC(C)C 7a_100000718985_100011214892 [0,1,0,0,0,1|1,0,1]=4 6766 B12R0.95 CCOCC(C)OCCOC(C)C 34a_100000718985_100000211751 [0,1,0,0,0,1|1,0,1]=4 6767 B12R0.95 CCOCC(C)OCCOC(C)C 7a_100000718985_100000211751 [0,1,0,0,0,1|1,0,1]=4 6768 B12R0.95 CCOCC(C)OCCSC(C)C 34a_100000718985_100000730970 [0,1,0,0,0,1|1,0,1]=4 6769 B12R0.95 CCOCC(C)OCCSC(C)C 7a_100000718985_100000730970 [0,1,0,0,0,1|1,0,1]=4 6770 B12R0.95 CCSCC(=O)CCCCC(C)C 1458a_100000230394_100011216152 [0,1,0,0,0,1|1,0,0]=3 6771 B12R0.95 CCSCC(=O)NCCCC(C)C 11a_200000737386_100000230394 [0,1,0,0,0,1|1,0,0]=3 6772 B12R0.95 CCSCC(=O)NCCCC(C)C 1626a_200000737386_100000230394 [0,1,0,0,0,1|1,0,0]=3 6773 B12R0.95 CCSCC(=O)NCCCC(C)C 240690a_200000737386_100000230394 [0,1,0,0,0,1|1,0,0]=3 6774 B12R0.95 CCSCC(=O)NCCCC(C)C 527a_200000737386_100000230394 [0,1,0,0,0,1|1,0,0]=3 6775 B12R0.95 CCSCC(=O)NCCCN(C)C 240690a_102531767803_100000230394 [0,1,0,0,0,1|2,0,0]=4 6776 B12R0.95 CCSCC(=O)NCCCN(C)C 527a_102531767803_100000230394 [0,1,0,0,0,1|2,0,0]=4 6777 B12R0.95 CCSCC(=O)NCCOC(C)C 11a_100000701111_100000230394 [0,1,0,0,0,1|1,0,0]=3 6778 B12R0.95 CCSCC(=O)NCCOC(C)C 1626a_100000701111_100000230394 [0,1,0,0,0,1|1,0,0]=3 6779 B12R0.95 CCSCC(=O)NCCOC(C)C 240690a_100000701111_100000230394 [0,1,0,0,0,1|1,0,0]=3 6780 B12R0.95 CCSCC(=O)NCCOC(C)C 527a_100000701111_100000230394 [0,1,0,0,0,1|1,0,0]=3 6781 B12R0.95 CCSCC(=O)NCCSC(C)C 11a_100000731138_100000230394 [0,1,0,0,0,1|1,0,0]=3 6782 B12R0.95 CCSCC(=O)NCCSC(C)C 1626a_100000731138_100000230394 [0,1,0,0,0,1|1,0,0]=3 6783 B12R0.95 CCSCC(=O)NCCSC(C)C 240690a_100000731138_100000230394 [0,1,0,0,0,1|1,0,0]=3 6784 B12R0.95 CCSCC(=O)NCCSC(C)C 527a_100000731138_100000230394 [0,1,0,0,0,1|1,0,0]=3 6785 B12R0.95 CCSCC(=O)NNCCN(C)C 22a_100000738145_100000230394 [0,1,0,0,0,1|2,0,0]=4 6786 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100000749529_100011216152 [0,1,0,0,0,1|1,0,0]=3 6787 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100011933920_100000233755 [0,1,0,0,0,1|1,0,0]=3 6788 B12R0.95 COCCC(=O)NCCCC(C)C 11a_200000737386_100000749529 [0,1,0,0,0,1|1,0,0]=3 6789 B12R0.95 COCCC(=O)NCCCC(C)C 1626a_200000737386_100000749529 [0,1,0,0,0,1|1,0,0]=3 6790 B12R0.95 COCCC(=O)NCCCC(C)C 240690a_200000737386_100000749529 [0,1,0,0,0,1|1,0,0]=3 6791 B12R0.95 COCCC(=O)NCCCC(C)C 527a_200000737386_100000749529 [0,1,0,0,0,1|1,0,0]=3 6792 B12R0.95 COCCC(=O)NCCCN(C)C 240690a_102531767803_100000749529 [0,1,0,0,0,1|2,0,0]=4 6793 B12R0.95 COCCC(=O)NCCCN(C)C 527a_102531767803_100000749529 [0,1,0,0,0,1|2,0,0]=4 6794 B12R0.95 COCCC(=O)NCCOC(C)C 11a_100000701111_100000749529 [0,1,0,0,0,1|1,0,0]=3 6795 B12R0.95 COCCC(=O)NCCOC(C)C 1626a_100000701111_100000749529 [0,1,0,0,0,1|1,0,0]=3 6796 B12R0.95 COCCC(=O)NCCOC(C)C 240690a_100000701111_100000749529 [0,1,0,0,0,1|1,0,0]=3 6797 B12R0.95 COCCC(=O)NCCOC(C)C 527a_100000701111_100000749529 [0,1,0,0,0,1|1,0,0]=3 6798 B12R0.95 COCCC(=O)NCCSC(C)C 11a_100000731138_100000749529 [0,1,0,0,0,1|1,0,0]=3 6799 B12R0.95 COCCC(=O)NCCSC(C)C 1626a_100000731138_100000749529 [0,1,0,0,0,1|1,0,0]=3 6800 B12R0.95 COCCC(=O)NCCSC(C)C 240690a_100000731138_100000749529 [0,1,0,0,0,1|1,0,0]=3 6801 B12R0.95 COCCC(=O)NCCSC(C)C 527a_100000731138_100000749529 [0,1,0,0,0,1|1,0,0]=3 6802 B12R0.95 COCCC(=O)NN=CCC(C)C 4a_100011260505_100000185833 [0,1,0,0,0,1|1,0,1]=4 6803 B12R0.95 COCCC(=O)NNCCN(C)C 22a_100000738145_100000749529 [0,1,0,0,0,1|2,0,0]=4 6804 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100000174002_100011216152 [0,1,0,0,0,1|1,0,0]=3 6805 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100011933920_100000751147 [0,1,0,0,0,1|1,0,0]=3 6806 B12R0.95 CSCCC(=O)NCCCC(C)C 11a_200000737386_100000174002 [0,1,0,0,0,1|1,0,0]=3 6807 B12R0.95 CSCCC(=O)NCCCC(C)C 1626a_200000737386_100000174002 [0,1,0,0,0,1|1,0,0]=3 6808 B12R0.95 CSCCC(=O)NCCCC(C)C 240690a_200000737386_100000174002 [0,1,0,0,0,1|1,0,0]=3 6809 B12R0.95 CSCCC(=O)NCCCC(C)C 527a_200000737386_100000174002 [0,1,0,0,0,1|1,0,0]=3 6810 B12R0.95 CSCCC(=O)NCCCN(C)C 240690a_102531767803_100000174002 [0,1,0,0,0,1|2,0,0]=4 6811 B12R0.95 CSCCC(=O)NCCCN(C)C 527a_102531767803_100000174002 [0,1,0,0,0,1|2,0,0]=4 6812 B12R0.95 CSCCC(=O)NCCOC(C)C 11a_100000701111_100000174002 [0,1,0,0,0,1|1,0,0]=3 6813 B12R0.95 CSCCC(=O)NCCOC(C)C 1626a_100000701111_100000174002 [0,1,0,0,0,1|1,0,0]=3 6814 B12R0.95 CSCCC(=O)NCCOC(C)C 240690a_100000701111_100000174002 [0,1,0,0,0,1|1,0,0]=3 6815 B12R0.95 CSCCC(=O)NCCOC(C)C 527a_100000701111_100000174002 [0,1,0,0,0,1|1,0,0]=3 6816 B12R0.95 CSCCC(=O)NCCSC(C)C 11a_100000731138_100000174002 [0,1,0,0,0,1|1,0,0]=3 6817 B12R0.95 CSCCC(=O)NCCSC(C)C 1626a_100000731138_100000174002 [0,1,0,0,0,1|1,0,0]=3 6818 B12R0.95 CSCCC(=O)NCCSC(C)C 240690a_100000731138_100000174002 [0,1,0,0,0,1|1,0,0]=3 6819 B12R0.95 CSCCC(=O)NCCSC(C)C 527a_100000731138_100000174002 [0,1,0,0,0,1|1,0,0]=3 6820 B12R0.95 CSCCC(=O)NNCCN(C)C 22a_100000738145_100000174002 [0,1,0,0,0,1|2,0,0]=4 6821 B12R0.95 CSCC[C@H](N)COCCC(C)C 34a_100011827619_100000210312 [0,1,0,0,0,1|1,0,1]=4 6822 B12R0.172 CCCC(C)(C)COCCC(C)C 7a_100011995695_100000210626 [0,1,0,0,0,1|1,0,1]=4 6823 B12R0.172 CCCC(C)(C)OCCCC(C)C 7a_100000748436_100011214892 [0,1,0,0,0,1|1,0,1]=4 6824 B12R0.172 CCCC(C)(C)OCCOC(C)C 7a_100000748436_100000211751 [0,1,0,0,0,1|1,0,1]=4 6825 B12R0.172 CCCC(C)(C)OCCSC(C)C 7a_100000748436_100000730970 [0,1,0,0,0,1|1,0,1]=4 6826 B12R0.172 CCCS(=O)(=O)NCCCC(C)C 270084a_200000737386_100000211391 [0,1,0,0,0,1|2,0,0]=4 6827 B12R0.172 CCCS(=O)(=O)NCCCC(C)C 274078a_200000737386_100000211391 [0,1,0,0,0,1|2,0,0]=4 6828 B12R0.172 CCCS(=O)(=O)NCCCC(C)C 40a_200000737386_100000054278 [0,1,0,0,0,1|2,0,0]=4 6829 B12R0.172 CCCS(=O)(=O)NCCOC(C)C 274078a_100000701111_100000211391 [0,1,0,0,0,1|2,0,0]=4 6830 B12R0.172 CCCS(=O)(=O)NCCOC(C)C 40a_100000701111_100000054278 [0,1,0,0,0,1|2,0,0]=4 6831 B12R0.172 CCCS(=O)(=O)NCCSC(C)C 270084a_100000731138_100000211391 [0,1,0,0,0,1|2,0,0]=4 6832 B12R0.172 CCCS(=O)(=O)NCCSC(C)C 274078a_100000731138_100000211391 [0,1,0,0,0,1|2,0,0]=4 6833 B12R0.172 CCCS(=O)(=O)NCCSC(C)C 40a_100000731138_100000054278 [0,1,0,0,0,1|2,0,0]=4 6834 B12R0.224 C#CC(CCC)OCCCC(C)C 34a_200011217317_100011214892 [0,1,0,0,0,1|1,0,1]=4 6835 B12R0.224 C#CC(CCC)OCCCC(C)C 7a_200011217317_100011214892 [0,1,0,0,0,1|1,0,1]=4 6836 B12R0.224 C#CC(CCC)OCCOC(C)C 34a_200011217317_100000211751 [0,1,0,0,0,1|1,0,1]=4 6837 B12R0.224 C#CC(CCC)OCCOC(C)C 7a_200011217317_100000211751 [0,1,0,0,0,1|1,0,1]=4 6838 B12R0.224 C#CC(CCC)OCCSC(C)C 34a_200011217317_100000730970 [0,1,0,0,0,1|1,0,1]=4 6839 B12R0.224 C#CC(CCC)OCCSC(C)C 7a_200011217317_100000730970 [0,1,0,0,0,1|1,0,1]=4 6840 B12R0.224 C=CC(CCC)OCCCC(C)C 34a_100011216692_100011214892 [0,1,0,0,0,1|1,0,1]=4 6841 B12R0.224 C=CC(CCC)OCCCC(C)C 7a_100011216692_100011214892 [0,1,0,0,0,1|1,0,1]=4 6842 B12R0.224 C=CC(CCC)OCCOC(C)C 34a_100011216692_100000211751 [0,1,0,0,0,1|1,0,1]=4 6843 B12R0.224 C=CC(CCC)OCCOC(C)C 7a_100011216692_100000211751 [0,1,0,0,0,1|1,0,1]=4 6844 B12R0.224 C=CC(CCC)OCCSC(C)C 34a_100011216692_100000730970 [0,1,0,0,0,1|1,0,1]=4 6845 B12R0.224 C=CC(CCC)OCCSC(C)C 7a_100011216692_100000730970 [0,1,0,0,0,1|1,0,1]=4 6846 B12R0.224 CCCC(C#N)OCCCC(C)C 34a_100000686963_100011214892 [0,1,0,0,0,1|1,0,1]=4 6847 B12R0.224 CCCC(C#N)OCCCC(C)C 7a_100000686963_100011214892 [0,1,0,0,0,1|1,0,1]=4 6848 B12R0.224 CCCC(C#N)OCCOC(C)C 34a_100000686963_100000211751 [0,1,0,0,0,1|1,0,1]=4 6849 B12R0.224 CCCC(C#N)OCCOC(C)C 7a_100000686963_100000211751 [0,1,0,0,0,1|1,0,1]=4 6850 B12R0.224 CCCC(C#N)OCCSC(C)C 34a_100000686963_100000730970 [0,1,0,0,0,1|1,0,1]=4 6851 B12R0.224 CCCC(C#N)OCCSC(C)C 7a_100000686963_100000730970 [0,1,0,0,0,1|1,0,1]=4 6852 B12R0.224 CCCC(CC)OCCCC(C)C 34a_100000687864_100011214892 [0,1,0,0,0,1|1,0,1]=4 6853 B12R0.224 CCCC(CC)OCCCC(C)C 7a_100000210774_100011219200 [0,1,0,0,0,1|1,0,1]=4 6854 B12R0.224 CCCC(CC)OCCCC(C)C 7a_100000687864_100011214892 [0,1,0,0,0,1|1,0,1]=4 6855 B12R0.224 CCCC(CC)OCCOC(C)C 34a_100000687864_100000211751 [0,1,0,0,0,1|1,0,1]=4 6856 B12R0.224 CCCC(CC)OCCOC(C)C 7a_100000211219_100011219200 [0,1,0,0,0,1|1,0,1]=4 6857 B12R0.224 CCCC(CC)OCCOC(C)C 7a_100000687864_100000211751 [0,1,0,0,0,1|1,0,1]=4 6858 B12R0.224 CCCC(CC)OCCSC(C)C 34a_100000687864_100000730970 [0,1,0,0,0,1|1,0,1]=4 6859 B12R0.224 CCCC(CC)OCCSC(C)C 7a_100000687864_100000730970 [0,1,0,0,0,1|1,0,1]=4 6860 B12R0.224 CCCC(CC)OCCSC(C)C 7a_200011212901_100011219200 [0,1,0,0,0,1|1,0,1]=4 6861 B12R0.270 C=C(C)CC(=O)CCCCC(C)C 1458a_100011933920_100000748629 [0,1,0,0,0,1|1,0,1]=4 6862 B12R0.270 CC(=O)CC(=O)OCCNC(C)C 34a_100138425928_100000102702 [0,1,0,0,0,1|0,0,1]=3 6863 B12R0.270 CC(=O)CC(=O)OCCOC(C)C 34a_100000212225_100000102702 [0,1,0,0,0,1|0,0,1]=3 6864 B12R0.270 CC(=O)CC(=O)OCCSC(C)C 62a_100000102702_100000210206 [0,1,0,0,0,1|0,0,1]=3 6865 B12R0.270 CC(=O)CC(=O)OCCSC(C)C 62a_100000210206_100000102702 [0,1,0,0,0,1|0,0,1]=3 6866 B12R0.270 CC(=O)NC(=O)COCCC(C)C 7a_100000210254_100000183797 [0,1,0,0,0,1|1,0,1]=4 6867 B12R0.270 CC(Br)CCOCC(=O)NC(C)C 34a_100009893172_100000183996 [0,1,0,0,0,1|2,0,0]=4 6868 B12R0.270 CC(Br)CCOCC(=O)OC(C)C 34a_100009893172_100011215430 [0,1,0,0,0,1|2,0,0]=4 6869 B12R0.270 CC(C)CC(=O)NCCCN(C)C 240690a_102531767803_100000210554 [0,1,0,0,0,1|2,0,0]=4 6870 B12R0.270 CC(C)CC(=O)NCCCN(C)C 527a_102531767803_100000210554 [0,1,0,0,0,1|2,0,0]=4 6871 B12R0.270 CC(C)CC(=O)NCCOC(C)C 11a_100000701111_100000210554 [0,1,0,0,0,1|1,0,0]=3 6872 B12R0.270 CC(C)CC(=O)NCCOC(C)C 1626a_100000701111_100000210554 [0,1,0,0,0,1|1,0,0]=3 6873 B12R0.270 CC(C)CC(=O)NCCOC(C)C 240690a_100000701111_100000210554 [0,1,0,0,0,1|1,0,0]=3 6874 B12R0.270 CC(C)CC(=O)NCCOC(C)C 527a_100000701111_100000210554 [0,1,0,0,0,1|1,0,0]=3 6875 B12R0.270 CC(C)CC(=O)NCCSC(C)C 11a_100000731138_100000210554 [0,1,0,0,0,1|1,0,0]=3 6876 B12R0.270 CC(C)CC(=O)NCCSC(C)C 1626a_100000731138_100000210554 [0,1,0,0,0,1|1,0,0]=3 6877 B12R0.270 CC(C)CC(=O)NCCSC(C)C 240690a_100000731138_100000210554 [0,1,0,0,0,1|1,0,0]=3 6878 B12R0.270 CC(C)CC(=O)NCCSC(C)C 527a_100000731138_100000210554 [0,1,0,0,0,1|1,0,0]=3 6879 B12R0.270 CC(C)CC(=O)NNCCN(C)C 22a_100000738145_100000210554 [0,1,0,0,0,1|2,0,0]=4 6880 B12R0.270 CC(C)CC(C)OCCNC(C)C 34a_100000224655_100000731052 [0,1,0,0,0,1|1,0,1]=4 6881 B12R0.270 CC(C)CC(C)OCCOC(C)C 34a_100000211219_100000731052 [0,1,0,0,0,1|1,0,1]=4 6882 B12R0.270 CC(C)CC(C)OCCOC(C)C 34a_100000211805_100000211751 [0,1,0,0,0,1|1,0,1]=4 6883 B12R0.270 CC(C)CC(C)OCCOC(C)C 7a_100000211219_100000731052 [0,1,0,0,0,1|1,0,1]=4 6884 B12R0.270 CC(C)CC(C)OCCOC(C)C 7a_100000211805_100000211751 [0,1,0,0,0,1|1,0,1]=4 6885 B12R0.270 CC(C)CC(C)OCCSC(C)C 34a_100000211805_100000730970 [0,1,0,0,0,1|1,0,1]=4 6886 B12R0.270 CC(C)CC(C)OCCSC(C)C 34a_200011212901_100000731052 [0,1,0,0,0,1|1,0,1]=4 6887 B12R0.270 CC(C)CC(C)OCCSC(C)C 7a_100000211805_100000730970 [0,1,0,0,0,1|1,0,1]=4 6888 B12R0.270 CC(C)CC(C)OCCSC(C)C 7a_200011212901_100000731052 [0,1,0,0,0,1|1,0,1]=4 6889 B12R0.270 CC(C)CC=NNC(=O)CC(C)C 4a_100000189787_100000185833 [0,1,0,0,0,1|1,0,1]=4 6890 B12R0.270 CC(C)CCCCC(=O)CC(C)C 1458a_100000210554_100011216152 [0,1,0,0,0,1|1,0,0]=3 6891 B12R0.270 CC(C)CCCCC(=O)CC(C)C 1458a_100011933920_100000210624 [0,1,0,0,0,1|1,0,0]=3 6892 B12R0.270 CC(C)CCCCC(=O)CC(C)O 1458a_100011933920_100011218427 [0,1,0,0,0,1|1,0,0]=3 6893 B12R0.270 CC(C)CCCCC(=O)CC(F)F 1458a_100011933920_100011934356 [0,1,0,0,0,1|2,0,0]=4 6894 B12R0.270 CC(C)CCCCC(=O)CN(C)C 1458a_100000750896_100011216152 [0,1,0,0,0,1|2,0,0]=4 6895 B12R0.270 CC(C)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011216152 [0,1,0,0,0,1|1,0,0]=3 6896 B12R0.270 CC(C)CCCCC(=O)C[S+](C)C 1458a_200159257847_100011216152 [0,1,0,0,0,1|2,0,0]=4 6897 B12R0.270 CC(C)CCCCC(=O)NC(C)C 11a_100138425928_100011933920 [0,1,0,0,0,1|2,0,0]=4 6898 B12R0.270 CC(C)CCCCC(=O)NC(C)C 1626a_100138425928_100011933920 [0,1,0,0,0,1|2,0,0]=4 6899 B12R0.270 CC(C)CCCCC(=O)NC(C)C 240690a_100138425928_100011933920 [0,1,0,0,0,1|2,0,0]=4 6900 B12R0.270 CC(C)CCCCC(=O)NC(C)C 527a_100138425928_100011933920 [0,1,0,0,0,1|2,0,0]=4 6901 B12R0.270 CC(C)CCCNC(=O)CC(C)C 11a_200000737386_100000210554 [0,1,0,0,0,1|1,0,0]=3 6902 B12R0.270 CC(C)CCCNC(=O)CC(C)C 1626a_200000737386_100000210554 [0,1,0,0,0,1|1,0,0]=3 6903 B12R0.270 CC(C)CCCNC(=O)CC(C)C 240690a_200000737386_100000210554 [0,1,0,0,0,1|1,0,0]=3 6904 B12R0.270 CC(C)CCCNC(=O)CC(C)C 527a_200000737386_100000210554 [0,1,0,0,0,1|1,0,0]=3 6905 B12R0.270 CC(C)CCCNC(=O)CN(C)C 11a_200000737386_100000750896 [0,1,0,0,0,1|2,0,0]=4 6906 B12R0.270 CC(C)CCCNC(=O)CN(C)C 240690a_200000737386_100000750896 [0,1,0,0,0,1|2,0,0]=4 6907 B12R0.270 CC(C)CCCNC(=O)CN(C)C 527a_200000737386_100000750896 [0,1,0,0,0,1|2,0,0]=4 6908 B12R0.270 CC(C)CCCNC(=O)C[C@@H](C)O 240690a_200000737386_100011933948 [0,1,0,0,0,1|1,0,0]=3 6909 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 11a_200000737386_200159257847 [0,1,0,0,0,1|2,0,0]=4 6910 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 1626a_200000737386_200159257847 [0,1,0,0,0,1|2,0,0]=4 6911 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 240690a_200000737386_200159257847 [0,1,0,0,0,1|2,0,0]=4 6912 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 527a_200000737386_200159257847 [0,1,0,0,0,1|2,0,0]=4 6913 B12R0.270 CC(C)CCCNC(=O)NC(C)C 2708a_100138425928_200000737386 [0,1,0,0,0,1|2,0,0]=4 6914 B12R0.270 CC(C)CCCNC(=O)NC(C)C 2708a_200000737386_100138425928 [0,1,0,0,0,1|2,0,0]=4 6915 B12R0.270 CC(C)CCCNC(=O)NC(C)C 273464a_100138425928_200000737386 [0,1,0,0,0,1|2,0,0]=4 6916 B12R0.270 CC(C)CCCNC(=O)NC(C)C 512a_100138425928_200000737386 [0,1,0,0,0,1|2,0,0]=4 6917 B12R0.270 CC(C)CCCNC(=O)NC(C)C 512a_200000737386_100138425928 [0,1,0,0,0,1|2,0,0]=4 6918 B12R0.270 CC(C)CCCOC(C)CC(C)C 34a_100000210774_100000731052 [0,1,0,0,0,1|1,0,1]=4 6919 B12R0.270 CC(C)CCCOC(C)CC(C)C 34a_100000211805_100011214892 [0,1,0,0,0,1|1,0,1]=4 6920 B12R0.270 CC(C)CCCOC(C)CC(C)C 7a_100000210774_100000731052 [0,1,0,0,0,1|1,0,1]=4 6921 B12R0.270 CC(C)CCCOC(C)CC(C)C 7a_100000211805_100011214892 [0,1,0,0,0,1|1,0,1]=4 6922 B12R0.270 CC(C)CCNCC(=O)NC(C)C 2230a_100000168517_100000210312 [0,1,0,0,0,1|2,0,0]=4 6923 B12R0.270 CC(C)CCNCC(=O)NC(C)C 269862a_100000168517_100000185833 [0,1,0,0,0,1|2,0,0]=4 6924 B12R0.270 CC(C)CCOCC(=O)NC(C)C 34a_100000210254_100000183996 [0,1,0,0,0,1|1,0,0]=3 6925 B12R0.270 CC(C)CCOCC(=O)NC(C)C 7a_100000210254_100000183996 [0,1,0,0,0,1|1,0,0]=3 6926 B12R0.270 CC(C)CCOCC(=O)OC(C)C 34a_100000210254_100011215430 [0,1,0,0,0,1|1,0,0]=3 6927 B12R0.270 CC(C)CCOCC(=O)OC(C)C 7a_100000210254_100011215430 [0,1,0,0,0,1|1,0,0]=3 6928 B12R0.270 CC(C)CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210312 [0,1,0,0,0,1|1,0,1]=4 6929 B12R0.270 CC(C)CCSCC(=O)NC(C)C 62a_100000183996_100000210312 [0,1,0,0,0,1|1,1,0]=4 6930 B12R0.270 CC(C)CCSCC(=O)NC(C)C 62a_100000210312_100000183996 [0,1,0,0,0,1|1,1,0]=4 6931 B12R0.270 CC(C)CCSCC(=O)OC(C)C 62a_100000210312_100011215430 [0,1,0,0,0,1|1,1,0]=4 6932 B12R0.270 CC(C)CCSCC(=O)OC(C)C 62a_100011215430_100000210312 [0,1,0,0,0,1|1,1,0]=4 6933 B12R0.270 CC(C)CNCCC(=O)NC(C)C 2230a_100000210953_100000737564 [0,1,0,0,0,1|2,0,0]=4 6934 B12R0.270 CC(C)CNCCC(=O)OC(C)C 2230a_100000210953_100000760027 [0,1,0,0,0,1|2,0,0]=4 6935 B12R0.270 CC(C)CSCCC(=O)NC(C)C 62a_100000210624_100000737564 [0,1,0,0,0,1|2,0,0]=4 6936 B12R0.270 CC(C)CSCCC(=O)NC(C)C 62a_100000737564_100000210760 [0,1,0,0,0,1|2,0,0]=4 6937 B12R0.270 CC(C)CSCCC(=O)OC(C)C 62a_100000210624_100000760027 [0,1,0,0,0,1|2,0,0]=4 6938 B12R0.270 CC(C)CSCCC(=O)OC(C)C 62a_100000760027_100000210760 [0,1,0,0,0,1|2,0,0]=4 6939 B12R0.270 CC(C)CSCOC(=O)OC(C)C 62a_100000003507_100000210760 [0,1,0,0,0,1|1,0,0]=3 6940 B12R0.270 CC(C)CSCOC(=O)OC(C)C 62a_100000210624_100000003507 [0,1,0,0,0,1|1,0,0]=3 6941 B12R0.270 CC(C)NC(=O)COCC[C@@H](C)N 34a_100000706166_100000183996 [0,1,0,0,0,1|2,0,0]=4 6942 B12R0.270 CC(C)NC(=O)NCCOC(C)C 2708a_100000701111_100138425928 [0,1,0,0,0,1|2,0,0]=4 6943 B12R0.270 CC(C)NC(=O)NCCOC(C)C 2708a_100138425928_100000701111 [0,1,0,0,0,1|2,0,0]=4 6944 B12R0.270 CC(C)NC(=O)NCCOC(C)C 273464a_100138425928_100000701111 [0,1,0,0,0,1|2,0,0]=4 6945 B12R0.270 CC(C)NC(=O)NCCOC(C)C 512a_100000701111_100138425928 [0,1,0,0,0,1|2,0,0]=4 6946 B12R0.270 CC(C)NC(=O)NCCOC(C)C 512a_100138425928_100000701111 [0,1,0,0,0,1|2,0,0]=4 6947 B12R0.270 CC(C)NC(=O)NCCSC(C)C 2708a_100000731138_100138425928 [0,1,0,0,0,1|2,0,0]=4 6948 B12R0.270 CC(C)NC(=O)NCCSC(C)C 2708a_100138425928_100000731138 [0,1,0,0,0,1|2,0,0]=4 6949 B12R0.270 CC(C)NC(=O)NCCSC(C)C 273464a_100138425928_100000731138 [0,1,0,0,0,1|2,0,0]=4 6950 B12R0.270 CC(C)NC(=O)NCCSC(C)C 512a_100000731138_100138425928 [0,1,0,0,0,1|2,0,0]=4 6951 B12R0.270 CC(C)NC(=O)NCCSC(C)C 512a_100138425928_100000731138 [0,1,0,0,0,1|2,0,0]=4 6952 B12R0.270 CC(C)OC(=O)COCC[C@@H](C)N 34a_100000706166_100011215430 [0,1,0,0,0,1|2,0,0]=4 6953 B12R0.270 CC(C)OC(=O)OCSC[C@@H](C)O 62a_100000003507_100009817552 [0,1,0,0,0,1|2,0,0]=4 6954 B12R0.270 CC(C)OC(=O)OCSC[C@@H](C)O 62a_100009817552_100000003507 [0,1,0,0,0,1|2,0,0]=4 6955 B12R0.270 CC(C)OCCNC(=O)CN(C)C 11a_100000701111_100000750896 [0,1,0,0,0,1|2,0,0]=4 6956 B12R0.270 CC(C)OCCNC(=O)CN(C)C 240690a_100000701111_100000750896 [0,1,0,0,0,1|2,0,0]=4 6957 B12R0.270 CC(C)OCCNC(=O)CN(C)C 527a_100000701111_100000750896 [0,1,0,0,0,1|2,0,0]=4 6958 B12R0.270 CC(C)OCCNC(=O)C[C@@H](C)O 240690a_100000701111_100011933948 [0,1,0,0,0,1|1,0,0]=3 6959 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 11a_100000701111_200159257847 [0,1,0,0,0,1|2,0,0]=4 6960 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 1626a_100000701111_200159257847 [0,1,0,0,0,1|2,0,0]=4 6961 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 240690a_100000701111_200159257847 [0,1,0,0,0,1|2,0,0]=4 6962 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 527a_100000701111_200159257847 [0,1,0,0,0,1|2,0,0]=4 6963 B12R0.270 CC(C)SCCNC(=O)CN(C)C 11a_100000731138_100000750896 [0,1,0,0,0,1|2,0,0]=4 6964 B12R0.270 CC(C)SCCNC(=O)CN(C)C 240690a_100000731138_100000750896 [0,1,0,0,0,1|2,0,0]=4 6965 B12R0.270 CC(C)SCCNC(=O)CN(C)C 527a_100000731138_100000750896 [0,1,0,0,0,1|2,0,0]=4 6966 B12R0.270 CC(C)SCCNC(=O)C[C@@H](C)O 240690a_100000731138_100011933948 [0,1,0,0,0,1|1,0,0]=3 6967 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 11a_100000731138_200159257847 [0,1,0,0,0,1|2,0,0]=4 6968 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 1626a_100000731138_200159257847 [0,1,0,0,0,1|2,0,0]=4 6969 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 240690a_100000731138_200159257847 [0,1,0,0,0,1|2,0,0]=4 6970 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 527a_100000731138_200159257847 [0,1,0,0,0,1|2,0,0]=4 6971 B12R0.270 CC(O)CSCOC(=O)OC(C)C 62a_100000003507_100011218427 [0,1,0,0,0,1|2,0,0]=4 6972 B12R0.270 CC(O)CSCOC(=O)OC(C)C 62a_100011218427_100000003507 [0,1,0,0,0,1|2,0,0]=4 6973 B12R0.270 C[C@@H](O)CC(=O)NCCCN(C)C 240690a_102531767803_100011933948 [0,1,0,0,0,1|2,0,0]=4 6974 B12R0.270 C[C@@H](O)CC(=O)NNCCN(C)C 22a_100000738145_100011933948 [0,1,0,0,0,1|2,0,0]=4 6975 B12R0.272 C=C(C)CN(C)COC(=O)CCC 2230a_100000225649_100000034017 [0,1,0,0,0,1|0,0,2]=4 6976 B12R0.272 C=C(C)CN(C)COC(=O)CCC 269982a_100000225649_100000034017 [0,1,0,0,0,1|0,0,2]=4 6977 B12R0.272 CC(C)CC(C)OCC(=O)NCO 34a_100000211805_100000185155 [0,1,0,0,0,1|2,0,0]=4 6978 B12R0.272 CC(C)CC(C)OCC(=O)NCO 7a_100000211805_100000185155 [0,1,0,0,0,1|2,0,0]=4 6979 B12R0.272 CCCC(=O)CCC(=O)NC(C)C 1458a_100000211992_100000737564 [0,1,0,0,0,1|1,0,1]=4 6980 B12R0.272 CCCC(=O)CCC(=O)OC(C)C 1458a_100000211992_100000760027 [0,1,0,0,0,1|1,0,1]=4 6981 B12R0.272 CCCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210303 [0,1,0,0,0,1|1,0,1]=4 6982 B12R0.272 CCCC(=O)CNC(C)CC(C)C 2230a_100000692259_100000747444 [0,1,0,0,0,1|1,0,0]=3 6983 B12R0.272 CCCC(=O)COC(=O)OC(C)C 1458a_100000211992_100000003507 [0,1,0,0,0,1|1,0,1]=4 6984 B12R0.272 CCCC(=O)COC(C)CC(C)C 7a_100000211805_100000747444 [0,1,0,0,0,1|0,0,0]=2 6985 B12R0.272 CCCC(=O)CSC(C)CC(C)C 62a_100000731052_100000747444 [0,1,0,0,0,1|0,1,0]=3 6986 B12R0.272 CCCC(=O)CSC(C)CC(C)C 62a_100000747444_100000731052 [0,1,0,0,0,1|0,1,0]=3 6987 B12R0.272 CCCC(=O)CSC(C)CN(C)C 62a_100000747444_100020606517 [0,1,0,0,0,1|1,1,0]=4 6988 B12R0.272 CCCC(=O)CSC(C)CN(C)C 62a_100020606517_100000747444 [0,1,0,0,0,1|1,1,0]=4 6989 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000211992 [0,1,0,0,0,1|1,0,1]=4 6990 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000211992 [0,1,0,0,0,1|1,0,1]=4 6991 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000211992 [0,1,0,0,0,1|1,0,1]=4 6992 B12R0.272 CCCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000211992 [0,1,0,0,0,1|1,0,1]=4 6993 B12R0.272 CCCC(=O)NCC(O)CN(C)C 240690a_100000737402_100000211992 [0,1,0,0,0,1|2,0,0]=4 6994 B12R0.272 CCCC(=O)NCC(O)CN(C)C 527a_100000737402_100000211992 [0,1,0,0,0,1|2,0,0]=4 6995 B12R0.272 CCCC(=O)NNC(=O)CC(C)C 22a_100000189770_100000210554 [0,1,0,0,0,1|1,0,1]=4 6996 B12R0.272 CCCC(=O)NNC(=O)CC(C)C 22a_100000189787_100000211992 [0,1,0,0,0,1|1,0,1]=4 6997 B12R0.272 CCCC(=O)OCC(=O)C=C(C)C 1458a_100000211388_100000034017 [0,1,0,0,0,1|0,0,2]=4 6998 B12R0.272 CCCC(=O)OCC(=O)CC(C)C 1458a_100000210554_100000034017 [0,1,0,0,0,1|0,0,0]=2 6999 B12R0.272 CCCC(=O)OCC(=O)CN(C)C 1458a_100000750896_100000034017 [0,1,0,0,0,1|1,0,0]=3 7000 B12R0.272 CCCC(=O)OCC(=O)C[C@@H](C)O 1458a_100011933948_100000034017 [0,1,0,0,0,1|1,0,0]=3 7001 B12R0.272 CCCC(=O)OCC(=O)C[S+](C)C 1458a_200159257847_100000034017 [0,1,0,0,0,1|1,0,0]=3 7002 B12R0.272 CCCC(=O)OCN(C)CC(C)C 2230a_100000747067_100000034017 [0,1,0,0,0,1|0,0,0]=2 7003 B12R0.272 CCCC(=O)OCN(C)CC(C)C 269982a_100000747067_100000034017 [0,1,0,0,0,1|0,0,0]=2 7004 B12R0.272 CCCC(=O)OCN(C)CC(C)O 2230a_100000227577_100000034017 [0,1,0,0,0,1|1,0,0]=3 7005 B12R0.272 CCCC(=O)OCN(C)CC(C)O 269982a_100000227577_100000034017 [0,1,0,0,0,1|1,0,0]=3 7006 B12R0.272 CCCC(C)COC(C)CC(C)C 34a_100000211805_100011216630 [0,1,0,0,0,1|1,0,1]=4 7007 B12R0.272 CCCC(C)COC(C)CC(C)C 34a_100000688023_100000731052 [0,1,0,0,0,1|1,0,1]=4 7008 B12R0.272 CCCC(C)COC(C)CC(C)C 7a_100000211805_100011216630 [0,1,0,0,0,1|1,0,1]=4 7009 B12R0.272 CCCC(C)COC(C)CC(C)C 7a_100000688023_100000731052 [0,1,0,0,0,1|1,0,1]=4 7010 B12R0.272 CCCC(C)OC[C@@H](N)CC(C)C 34a_100011830311_100000766640 [0,1,0,0,0,1|1,0,1]=4 7011 B12R0.272 CCC[C@H](N)COC(C)CC(C)C 34a_100000732646_100000731052 [0,1,0,0,0,1|1,0,1]=4 7012 B12R0.272 CCNC(=O)CCC(=O)CC(C)C 1458a_100000199579_100000210624 [0,1,0,0,0,1|2,0,0]=4 7013 B12R0.272 CCNC(=O)CCN(C)CC(C)C 2230a_100000747067_100000737597 [0,1,0,0,0,1|2,0,0]=4 7014 B12R0.272 CCNC(=O)CCN(C)CC(C)C 269982a_100000747067_100000737597 [0,1,0,0,0,1|2,0,0]=4 7015 B12R0.272 CCNC(=O)CNC(C)CC(C)C 2230a_100000692259_100000183381 [0,1,0,0,0,1|2,0,0]=4 7016 B12R0.272 CCNC(=O)CNC(C)CC(C)C 2230a_100016988866_100000731052 [0,1,0,0,0,1|2,0,0]=4 7017 B12R0.272 CCNC(=O)COC(C)CC(C)C 34a_100000211805_100000183381 [0,1,0,0,0,1|1,0,0]=3 7018 B12R0.272 CCNC(=O)COC(C)CC(C)C 7a_100000211805_100000183381 [0,1,0,0,0,1|1,0,0]=3 7019 B12R0.272 CCNC(=O)CSC(C)CC(C)C 62a_100000183381_100000731052 [0,1,0,0,0,1|1,1,0]=4 7020 B12R0.272 CCNC(=O)CSC(C)CC(C)C 62a_100000731052_100000183381 [0,1,0,0,0,1|1,1,0]=4 7021 B12R0.272 CCOC(=O)CCC(=O)CC(C)C 1458a_100000183558_100000210624 [0,1,0,0,0,1|2,0,0]=4 7022 B12R0.272 CCOC(=O)CCC(C)NC(C)C 2230a_100138425928_100000748298 [0,1,0,0,0,1|2,0,0]=4 7023 B12R0.272 CCOC(=O)CCC(C)NC(C)C 34a_100138425928_100000748298 [0,1,0,0,0,1|2,0,0]=4 7024 B12R0.272 CCOC(=O)CCC(C)OC(C)C 34a_100000212225_100000748298 [0,1,0,0,0,1|2,0,0]=4 7025 B12R0.272 CCOC(=O)CCC(C)SC(C)C 62a_100000210206_100000748298 [0,1,0,0,0,1|2,0,0]=4 7026 B12R0.272 CCOC(=O)CCC(C)SC(C)C 62a_100000748298_100000210206 [0,1,0,0,0,1|2,0,0]=4 7027 B12R0.272 CCOC(=O)CCN(C)CC(C)C 2230a_100000745921_100000210760 [0,1,0,0,0,1|2,0,0]=4 7028 B12R0.272 CCOC(=O)CCN(C)CC(C)C 2230a_100000747067_100011206558 [0,1,0,0,0,1|2,0,0]=4 7029 B12R0.272 CCOC(=O)CCN(C)CC(C)C 269982a_100000745921_100000210624 [0,1,0,0,0,1|2,0,0]=4 7030 B12R0.272 CCOC(=O)CCN(C)CC(C)C 269982a_100000747067_100011206558 [0,1,0,0,0,1|2,0,0]=4 7031 B12R0.272 CCOC(=O)CNC(C)CC(C)C 2230a_100000692259_100000188475 [0,1,0,0,0,1|2,0,0]=4 7032 B12R0.272 CCOC(=O)COC(C)CC(C)C 34a_100000211805_100000188475 [0,1,0,0,0,1|1,0,0]=3 7033 B12R0.272 CCOC(=O)COC(C)CC(C)C 7a_100000211805_100000188475 [0,1,0,0,0,1|1,0,0]=3 7034 B12R0.272 CCOC(=O)CSC(C)CC(C)C 62a_100000188475_100000731052 [0,1,0,0,0,1|1,1,0]=4 7035 B12R0.272 CCOC(=O)CSC(C)CC(C)C 62a_100000731052_100000188475 [0,1,0,0,0,1|1,1,0]=4 7036 B12R0.272 CCOC(=O)NCC(=O)CC(C)C 1458a_100000190774_100000210624 [0,1,0,0,0,1|2,0,0]=4 7037 B12R0.276 C=CC(C)COCOC(=O)CCC 34a_100011215527_100000034017 [0,1,0,0,0,1|0,0,1]=3 7038 B12R0.276 C=CC(O)CSCOC(=O)CCC 62a_100000730141_100000034017 [0,1,0,0,0,1|1,0,1]=4 7039 B12R0.276 C=C[C@H](N)COCOC(=O)CCC 34a_100016989147_100000034017 [0,1,0,0,0,1|1,0,1]=4 7040 B12R0.276 CCC(C)CCOCC(=O)NCO 7a_100011215188_100000185155 [0,1,0,0,0,1|2,0,0]=4 7041 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [0,1,0,0,0,1|1,0,0]=3 7042 B12R0.276 CCCC(=O)CNCCC(C)CO 2230a_106354213184_100000747444 [0,1,0,0,0,1|1,0,0]=3 7043 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [0,1,0,0,0,1|0,0,0]=2 7044 B12R0.276 CCCC(=O)COCCC(C)OC 7a_100000764861_100000747444 [0,1,0,0,0,1|0,0,0]=2 7045 B12R0.276 CCCC(=O)NN=CCC(C)SC 4a_100000189770_100000036020 [0,1,0,0,0,1|1,0,1]=4 7046 B12R0.276 CCCC(=O)OCNCC(=O)NC 2230a_100000693194_100000034017 [0,1,0,0,0,1|1,0,1]=4 7047 B12R0.276 CCCC(=O)OCNCC(C)CC 2230a_100020588543_100000034017 [0,1,0,0,0,1|0,0,0]=2 7048 B12R0.276 CCCC(=O)OCNCC(C)CO 34a_100000744482_100000034017 [0,1,0,0,0,1|0,0,0]=2 7049 B12R0.276 CCCC(=O)OCNCC(O)CC 2230a_100011218483_100000034017 [0,1,0,0,0,1|1,0,0]=3 7050 B12R0.276 CCCC(=O)OCNC[C@@H](C)OC 2230a_100020591295_100000034017 [0,1,0,0,0,1|0,0,0]=2 7051 B12R0.276 CCCC(=O)OCNC[C@@H](F)CO 34a_100015665980_100000034017 [0,1,0,0,0,1|1,0,0]=3 7052 B12R0.276 CCCC(=O)OCNC[C@H](O)CO 2230a_100020644852_100000034017 [0,1,0,0,0,1|1,0,0]=3 7053 B12R0.276 CCCC(=O)OCOCC(=O)CC 34a_100000725409_100000034017 [0,1,0,0,0,1|1,0,1]=4 7054 B12R0.276 CCCC(=O)OCOCC(=O)NC 34a_100000750040_100000034017 [0,1,0,0,0,1|1,0,1]=4 7055 B12R0.276 CCCC(=O)OCOCC(C)CN 34a_100000744482_100000034017 [0,1,0,0,0,1|0,0,0]=2 7056 B12R0.276 CCCC(=O)OCOCC(C)OC 34a_100000690652_100000034017 [0,1,0,0,0,1|0,0,0]=2 7057 B12R0.276 CCCC(=O)OCOCC(Cl)CCl 34a_100000033668_100000034017 [0,1,0,0,0,1|1,0,0]=3 7058 B12R0.276 CCCC(=O)OCOC[C@H](F)CN 34a_100015665980_100000034017 [0,1,0,0,0,1|1,0,0]=3 7059 B12R0.276 CCCC(=O)OCSCC(=O)CC 62a_100000747405_100000034017 [0,1,0,0,0,1|1,0,1]=4 7060 B12R0.276 CCCC(=O)OCSCC(=O)NC 62a_100000183359_100000034017 [0,1,0,0,0,1|1,0,1]=4 7061 B12R0.276 CCCC(=O)OCSCC(=O)OC 62a_100000747449_100000034017 [0,1,0,0,0,1|1,0,1]=4 7062 B12R0.276 CCCC(=O)OCSCC(C)CC 62a_100000748023_100000034017 [0,1,0,0,0,1|0,0,0]=2 7063 B12R0.276 CCCC(=O)OCSCC(O)CC 62a_100011218378_100000034017 [0,1,0,0,0,1|1,0,0]=3 7064 B12R0.276 CCCC(=O)OCSCC(O)CO 62a_100011219619_100000034017 [0,1,0,0,0,1|1,0,0]=3 7065 B12R0.276 CCCC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000034017 [0,1,0,0,0,1|0,0,0]=2 7066 B12R0.276 CCCC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000034017 [0,1,0,0,0,1|0,0,0]=2 7067 B12R0.276 CCCC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000034017 [0,1,0,0,0,1|1,0,0]=3 7068 B12R0.276 CCCC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000034017 [0,1,0,0,0,1|1,0,0]=3 7069 B12R0.276 CCCC(C)COCCC(C)CC 7a_100011215188_100011216630 [0,1,0,0,0,1|1,0,1]=4 7070 B12R0.276 CCCC(C)COCCC(C)OC 7a_100000764861_100011216630 [0,1,0,0,0,1|1,0,1]=4 7071 B12R0.276 CCCC(C)OCCCC(C)CC 7a_100011216074_100000766640 [0,1,0,0,0,1|1,0,1]=4 7072 B12R0.276 CCCC(C)OCCC[C@@H](C)CN 34a_100160569302_100000766640 [0,1,0,0,0,1|1,0,1]=4 7073 B12R0.276 CCNC(=O)CCNCC(C)CC 2230a_100020588543_100000737597 [0,1,0,0,0,1|2,0,0]=4 7074 B12R0.276 CCNC(=O)CCNCC(C)CC 270004a_100025743525_100000243153 [0,1,0,0,0,1|2,0,0]=4 7075 B12R0.276 CCNC(=O)CCNCC(C)CC 34a_100025743525_100000748023 [0,1,0,0,0,1|2,0,0]=4 7076 B12R0.276 CCNC(=O)CCNC[C@@H](C)CC 34a_100025743525_100009816398 [0,1,0,0,0,1|2,0,0]=4 7077 B12R0.276 CCNC(=O)CCNC[C@@H](C)CO 34a_100025743525_100000059175 [0,1,0,0,0,1|2,0,0]=4 7078 B12R0.276 CCNC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000737597 [0,1,0,0,0,1|2,0,0]=4 7079 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100000737597 [0,1,0,0,0,1|2,0,0]=4 7080 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000737597_100000748023 [0,1,0,0,0,1|2,0,0]=4 7081 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000748023_100000737597 [0,1,0,0,0,1|2,0,0]=4 7082 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100000737597_100009816398 [0,1,0,0,0,1|2,0,0]=4 7083 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000737597 [0,1,0,0,0,1|2,0,0]=4 7084 B12R0.276 CCNC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000737597 [0,1,0,0,0,1|2,0,0]=4 7085 B12R0.276 CCNC(=O)CCSC[C@@H](C)CO 62a_100000737597_100000059175 [0,1,0,0,0,1|2,0,0]=4 7086 B12R0.276 CCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183381 [0,1,0,0,0,1|2,0,0]=4 7087 B12R0.276 CCNC(=O)CNCCC(C)CO 2230a_106354213184_100000183381 [0,1,0,0,0,1|2,0,0]=4 7088 B12R0.276 CCNC(=O)CNCCC(C)CO 34a_106354213184_100000183381 [0,1,0,0,0,1|2,0,0]=4 7089 B12R0.276 CCNC(=O)COCCC(C)CC 7a_100011215188_100000183381 [0,1,0,0,0,1|1,0,0]=3 7090 B12R0.276 CCNC(=O)COCCC(C)OC 7a_100000764861_100000183381 [0,1,0,0,0,1|1,0,0]=3 7091 B12R0.276 CCOC(=O)CCCNC(C)CC 2230a_100000209981_100009991533 [0,1,0,0,0,1|2,0,0]=4 7092 B12R0.276 CCOC(=O)CCCN[C@H](C)CO 2230a_100000737577_100009991533 [0,1,0,0,0,1|2,0,0]=4 7093 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100000210228_100011215271 [0,1,0,0,0,1|2,0,0]=4 7094 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100012001163_100000758301 [0,1,0,0,0,1|2,0,0]=4 7095 B12R0.276 CCOC(=O)CCCOC(C)CF 34a_100016041109_100009991533 [0,1,0,0,0,1|2,0,0]=4 7096 B12R0.276 CCOC(=O)CCCOC(C)CF 7a_100016041109_100011215271 [0,1,0,0,0,1|2,0,0]=4 7097 B12R0.276 CCOC(=O)CCCOC(C)CN 34a_100000210904_100009991533 [0,1,0,0,0,1|2,0,0]=4 7098 B12R0.276 CCOC(=O)CCCOC(C)CO 7a_100012001163_100012180447 [0,1,0,0,0,1|2,0,0]=4 7099 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100000758301_100009991533 [0,1,0,0,0,1|2,0,0]=4 7100 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100009991533_100000758301 [0,1,0,0,0,1|2,0,0]=4 7101 B12R0.276 CCOC(=O)CCCSC(C)CO 62a_100012180447_100009991533 [0,1,0,0,0,1|2,0,0]=4 7102 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009879195_100009991533 [0,1,0,0,0,1|2,0,0]=4 7103 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009991533_100009879195 [0,1,0,0,0,1|2,0,0]=4 7104 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100009991533_100016084084 [0,1,0,0,0,1|2,0,0]=4 7105 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100016084084_100009991533 [0,1,0,0,0,1|2,0,0]=4 7106 B12R0.276 CCOC(=O)CCNCC(C)CC 2230a_100020588543_100011206558 [0,1,0,0,0,1|2,0,0]=4 7107 B12R0.276 CCOC(=O)CCNCC(C)CO 34a_100000744482_100000765890 [0,1,0,0,0,1|2,0,0]=4 7108 B12R0.276 CCOC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100011206558 [0,1,0,0,0,1|2,0,0]=4 7109 B12R0.276 CCOC(=O)CCOCC(C)CN 34a_100000744482_100000765890 [0,1,0,0,0,1|2,0,0]=4 7110 B12R0.276 CCOC(=O)CCOCC(C)OC 34a_100000690652_100000765890 [0,1,0,0,0,1|2,0,0]=4 7111 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [0,1,0,0,0,1|2,0,0]=4 7112 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000748023_100000765890 [0,1,0,0,0,1|2,0,0]=4 7113 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000765890_100000748023 [0,1,0,0,0,1|2,0,0]=4 7114 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100000765890_100009816398 [0,1,0,0,0,1|2,0,0]=4 7115 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000765890 [0,1,0,0,0,1|2,0,0]=4 7116 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000765890 [0,1,0,0,0,1|2,0,0]=4 7117 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000765890_100000059175 [0,1,0,0,0,1|2,0,0]=4 7118 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [0,1,0,0,0,1|2,0,0]=4 7119 B12R0.276 CCOC(=O)CNCCC(C)CO 2230a_106354213184_100000188475 [0,1,0,0,0,1|2,0,0]=4 7120 B12R0.276 CCOC(=O)CNCCC(C)CO 34a_106354213184_100000188475 [0,1,0,0,0,1|2,0,0]=4 7121 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [0,1,0,0,0,1|1,0,0]=3 7122 B12R0.276 CCOC(=O)COCCC(C)OC 7a_100000764861_100000188475 [0,1,0,0,0,1|1,0,0]=3 7123 B12R0.276 CCOC(=O)COCCN(C)CC 2230a_100000225621_100000088970 [0,1,0,0,0,1|2,0,0]=4 7124 B12R0.276 CCOC(=O)COCCN(C)CC 269982a_100000225621_100000088970 [0,1,0,0,0,1|2,0,0]=4 7125 B12R0.276 CCOC(=O)NCCOC(C)CC 34a_100000158857_100011215416 [0,1,0,0,0,1|2,0,0]=4 7126 B12R0.276 CCOC(=O)NCCOC(C)CC 7a_100000210228_200011445536 [0,1,0,0,0,1|2,0,0]=4 7127 B12R0.276 CCOC(=O)NCCOC(C)CF 7a_100016041109_200011445536 [0,1,0,0,0,1|2,0,0]=4 7128 B12R0.276 CCOC(=O)NCCOC(C)CO 34a_100000158857_100012180447 [0,1,0,0,0,1|2,0,0]=4 7129 B12R0.276 CCOC(=O)NCCSC(C)CC 62a_100000758301_200011445536 [0,1,0,0,0,1|2,0,0]=4 7130 B12R0.276 CCOC(=O)NCCSC(C)CO 62a_100012180447_200011445536 [0,1,0,0,0,1|2,0,0]=4 7131 B12R0.276 CCOC(=O)NCCSC(C)OC 62a_100009879195_200011445536 [0,1,0,0,0,1|2,0,0]=4 7132 B12R0.276 CCOC(=O)NCCS[C@H](C)CO 62a_100016084084_200011445536 [0,1,0,0,0,1|2,0,0]=4 7133 B12R0.276 CCOC(=O)OCSCC(C)CC 62a_100000748023_100000075025 [0,1,0,0,0,1|1,0,0]=3 7134 B12R0.276 CCOC(=O)OCSCC(O)CC 62a_100011218378_100000075025 [0,1,0,0,0,1|2,0,0]=4 7135 B12R0.276 CCOC(=O)OCSCC(O)CO 62a_100011219619_100000075025 [0,1,0,0,0,1|2,0,0]=4 7136 B12R0.276 CCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000075025 [0,1,0,0,0,1|1,0,0]=3 7137 B12R0.276 CCOC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000075025 [0,1,0,0,0,1|1,0,0]=3 7138 B12R0.276 CCOC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000075025 [0,1,0,0,0,1|2,0,0]=4 7139 B12R0.276 CCOC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000075025 [0,1,0,0,0,1|2,0,0]=4 7140 B12R0.276 COC(C)CCOCC(=O)NCO 7a_100000764861_100000185155 [0,1,0,0,0,1|2,0,0]=4 7141 B12R0.279 CC(C)N(C)CCNC(=O)CCO 240690a_100000749581_100011216618 [0,1,0,0,0,1|2,0,0]=4 7142 B12R0.279 CC(C)[C@@H](N)COCC(=O)NCO 34a_100011830312_100000185155 [0,1,0,0,0,1|2,0,0]=4 7143 B12R0.279 CCCC(=O)CCCC(=O)N(C)C 1458a_100000211992_100000737642 [0,1,0,0,0,1|2,0,0]=4 7144 B12R0.279 CCCC(=O)CNCC(O)C(C)C 2230a_100000759067_100000747444 [0,1,0,0,0,1|1,0,0]=3 7145 B12R0.279 CCCC(=O)COCC(C)C(=O)C 7a_100000032740_100000747444 [0,1,0,0,0,1|1,0,1]=4 7146 B12R0.279 CCCC(=O)CSCC(=O)C(C)C 62a_100000747444_100000753385 [0,1,0,0,0,1|0,1,1]=4 7147 B12R0.279 CCCC(=O)CSCC(=O)C(C)C 62a_100000753385_100000747444 [0,1,0,0,0,1|0,1,1]=4 7148 B12R0.279 CCCC(=O)NCCC(=O)N(C)C 11a_100000738053_100000211992 [0,1,0,0,0,1|2,0,0]=4 7149 B12R0.279 CCCC(=O)NCCC(=O)N(C)C 240690a_100000738053_100000211992 [0,1,0,0,0,1|2,0,0]=4 7150 B12R0.279 CCCC(=O)NCCC(=O)N(C)C 527a_100000738053_100000211992 [0,1,0,0,0,1|2,0,0]=4 7151 B12R0.279 CCCC(=O)NCCN(C)C(C)C 1626a_100000749581_100000211992 [0,1,0,0,0,1|1,0,0]=3 7152 B12R0.279 CCCC(=O)NCCN(C)C(C)C 240690a_100000749581_100000211992 [0,1,0,0,0,1|1,0,0]=3 7153 B12R0.279 CCCC(=O)NCCN(C)C(C)C 527a_100000749581_100000211992 [0,1,0,0,0,1|1,0,0]=3 7154 B12R0.279 CCCC(=O)OCNC(C)C(C)C 2230a_100000211541_100000034017 [0,1,0,0,0,1|0,0,0]=2 7155 B12R0.279 CCCC(=O)OCOC(C)C(=O)C 34a_100000212229_100000034017 [0,1,0,0,0,1|1,0,1]=4 7156 B12R0.279 CCCC(=O)OCSC(C)C(=O)C 62a_100009814033_100000034017 [0,1,0,0,0,1|1,0,1]=4 7157 B12R0.279 CCCC(C)COC[C@H](N)C(C)C 34a_100011830312_100011216630 [0,1,0,0,0,1|1,0,1]=4 7158 B12R0.279 CCCC(C)OCCC(N)C(C)C 34a_100161115045_100000766640 [0,1,0,0,0,1|1,0,1]=4 7159 B12R0.279 CCNC(=O)CCCC(=O)C(C)C 1458a_100000199580_100000210206 [0,1,0,0,0,1|2,0,0]=4 7160 B12R0.279 CCNC(=O)CCNC(C)C(C)C 2230a_100000211541_100000737597 [0,1,0,0,0,1|2,0,0]=4 7161 B12R0.279 CCNC(=O)CCOC(C)C(C)C 7a_100000748068_100000737597 [0,1,0,0,0,1|2,0,0]=4 7162 B12R0.279 CCNC(=O)CNCC(O)C(C)C 2230a_100000759067_100000183381 [0,1,0,0,0,1|2,0,0]=4 7163 B12R0.279 CCNC(=O)CNCC(O)C(C)C 34a_100000759067_100000183381 [0,1,0,0,0,1|2,0,0]=4 7164 B12R0.279 CCNC(=O)COC[C@H](N)C(C)C 34a_100011830312_100000183381 [0,1,0,0,0,1|1,0,0]=3 7165 B12R0.279 CCNC(=O)NCCN(C)C(C)C 2708a_100015525214_100000749581 [0,1,0,0,0,1|2,0,0]=4 7166 B12R0.279 CCNC(=O)NCCN(C)C(C)C 273464a_100000749581_100015525214 [0,1,0,0,0,1|2,0,0]=4 7167 B12R0.279 CCNC(=O)NCCN(C)C(C)C 273464a_100015525214_100000749581 [0,1,0,0,0,1|2,0,0]=4 7168 B12R0.279 CCNC(=O)NCCN(C)C(C)C 512a_100000749581_100015525214 [0,1,0,0,0,1|2,0,0]=4 7169 B12R0.279 CCNC(=O)NCCN(C)C(C)C 512a_100015525214_100000749581 [0,1,0,0,0,1|2,0,0]=4 7170 B12R0.279 CCOC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215271 [0,1,0,0,0,1|2,0,0]=4 7171 B12R0.279 CCOC(=O)CCCC(=O)C(C)C 1458a_100000210991_100000210206 [0,1,0,0,0,1|2,0,0]=4 7172 B12R0.279 CCOC(=O)CCCN(C)C(C)C 269982a_200000211004_100009991533 [0,1,0,0,0,1|2,0,0]=4 7173 B12R0.279 CCOC(=O)CCNC(C)C(C)C 2230a_100000211541_100011206558 [0,1,0,0,0,1|2,0,0]=4 7174 B12R0.279 CCOC(=O)CCOC(C)C(C)C 7a_100000748068_100011206558 [0,1,0,0,0,1|2,0,0]=4 7175 B12R0.279 CCOC(=O)CNCC(O)C(C)C 2230a_100000759067_100000188475 [0,1,0,0,0,1|2,0,0]=4 7176 B12R0.279 CCOC(=O)CNCC(O)C(C)C 34a_100000759067_100000188475 [0,1,0,0,0,1|2,0,0]=4 7177 B12R0.279 CCOC(=O)COC[C@H](N)C(C)C 34a_100011830312_100000188475 [0,1,0,0,0,1|1,0,0]=3 7178 B12R0.279 CCOC(=O)NCCC(=O)C(C)C 1458a_100000210198_200011445536 [0,1,0,0,0,1|2,0,0]=4 7179 B12R0.279 CCOC(=O)NCCN(C)C(C)C 269982a_200000211004_200011445536 [0,1,0,0,0,1|2,0,0]=4 7180 B12R0.279 COCC(=O)NCCN(C)C(C)C 1626a_100000749581_100000210968 [0,1,0,0,0,1|2,0,0]=4 7181 B12R0.279 COCC(=O)NCCN(C)C(C)C 240690a_100000749581_100000210968 [0,1,0,0,0,1|2,0,0]=4 7182 B12R0.279 COCC(=O)NCCN(C)C(C)C 527a_100000749581_100000210968 [0,1,0,0,0,1|2,0,0]=4 7183 B12R0.279 CSCC(=O)NCCN(C)C(C)C 1626a_100000749581_100000184570 [0,1,0,0,0,1|2,0,0]=4 7184 B12R0.279 CSCC(=O)NCCN(C)C(C)C 240690a_100000749581_100000184570 [0,1,0,0,0,1|2,0,0]=4 7185 B12R0.279 CSCC(=O)NCCN(C)C(C)C 527a_100000749581_100000184570 [0,1,0,0,0,1|2,0,0]=4 7186 B12R0.283 C=C(CCC)CC(=O)CCC(C)C 1458a_100000138376_100000210312 [0,1,0,0,0,1|2,0,0]=4 7187 B12R0.283 CC(C)CCC(C)NC(=O)CCO 240690a_100138410893_100011216618 [0,1,0,0,0,1|2,0,0]=4 7188 B12R0.283 CC(C)CCC(C)NC(=O)CS[13CH3] 62a_100000229880_200025704644 [0,1,0,0,0,1|2,0,0]=4 7189 B12R0.283 CC(C)CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000229880 [0,1,0,0,0,1|2,0,0]=4 7190 B12R0.283 CCCC(=CC(=O)CCC(C)C)C 1458a_100020676950_100000210312 [0,1,0,0,0,1|2,0,0]=4 7191 B12R0.283 CCCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747444 [0,1,0,0,0,1|1,0,0]=3 7192 B12R0.283 CCCC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747444 [0,1,0,0,0,1|2,0,0]=4 7193 B12R0.283 CCCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747444 [0,1,0,0,0,1|1,0,1]=4 7194 B12R0.283 CCCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747444 [0,1,0,0,0,1|1,0,1]=4 7195 B12R0.283 CCCC(=O)CC(=O)NCC(C)C 1458a_100000211992_100000183291 [0,1,0,0,0,1|1,0,1]=4 7196 B12R0.283 CCCC(=O)CN(C)CCC(C)C 2230a_100000742789_100000747444 [0,1,0,0,0,1|1,0,0]=3 7197 B12R0.283 CCCC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747444 [0,1,0,0,0,1|1,0,0]=3 7198 B12R0.283 CCCC(=O)CN(C)CCN(C)C 269982a_100000225618_100000747444 [0,1,0,0,0,1|2,0,0]=4 7199 B12R0.283 CCCC(=O)NC(C)CCC(C)C 11a_100138410893_100000211992 [0,1,0,0,0,1|1,0,0]=3 7200 B12R0.283 CCCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000211992 [0,1,0,0,0,1|1,0,0]=3 7201 B12R0.283 CCCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000211992 [0,1,0,0,0,1|1,0,0]=3 7202 B12R0.283 CCCC(=O)NC(C)CCC(C)C 527a_100138410893_100000211992 [0,1,0,0,0,1|1,0,0]=3 7203 B12R0.283 CCCC(C)OC(C)CCC(C)C 34a_100000764384_100011261404 [0,1,0,0,0,1|1,0,1]=4 7204 B12R0.283 CCCC(C)OC(C)CCC(C)C 34a_100011215350_100000766640 [0,1,0,0,0,1|1,0,1]=4 7205 B12R0.283 CCCC(C)OC(C)CCC(C)C 7a_100011215350_100000766640 [0,1,0,0,0,1|1,0,1]=4 7206 B12R0.283 CCCS(=O)CC(=O)CCC(C)C 1458a_100011387404_100000210312 [0,1,0,0,0,1|2,0,0]=4 7207 B12R0.283 CCNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183381 [0,1,0,0,0,1|2,0,0]=4 7208 B12R0.283 CCNC(=O)CN(C)CCC(C)C 2230a_100000741943_100000210312 [0,1,0,0,0,1|2,0,0]=4 7209 B12R0.283 CCNC(=O)CN(C)CCC(C)C 2230a_100000742789_100000183381 [0,1,0,0,0,1|2,0,0]=4 7210 B12R0.283 CCNC(=O)CN(C)CCC(C)C 269982a_100000741943_100000210312 [0,1,0,0,0,1|2,0,0]=4 7211 B12R0.283 CCNC(=O)CN(C)CCC(C)C 269982a_100000742789_100000183381 [0,1,0,0,0,1|2,0,0]=4 7212 B12R0.283 CCNC(=O)NC(C)CCC(C)C 2708a_100015525214_100138410893 [0,1,0,0,0,1|2,0,0]=4 7213 B12R0.283 CCNC(=O)NC(C)CCC(C)C 2708a_100138410893_100015525214 [0,1,0,0,0,1|2,0,0]=4 7214 B12R0.283 CCNC(=O)NC(C)CCC(C)C 273464a_100138410893_100015525214 [0,1,0,0,0,1|2,0,0]=4 7215 B12R0.283 CCNC(=O)NC(C)CCC(C)C 512a_100015525214_100138410893 [0,1,0,0,0,1|2,0,0]=4 7216 B12R0.283 CCNC(=O)NC(C)CCC(C)C 512a_100138410893_100015525214 [0,1,0,0,0,1|2,0,0]=4 7217 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000188475 [0,1,0,0,0,1|2,0,0]=4 7218 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000243816_100000210312 [0,1,0,0,0,1|2,0,0]=4 7219 B12R0.283 CCOC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817359 [0,1,0,0,0,1|2,0,0]=4 7220 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100000210624_100009817359 [0,1,0,0,0,1|2,0,0]=4 7221 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100009817359_100000210760 [0,1,0,0,0,1|2,0,0]=4 7222 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000220588_100000210312 [0,1,0,0,0,1|2,0,0]=4 7223 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000742789_100000188475 [0,1,0,0,0,1|2,0,0]=4 7224 B12R0.283 CCOC(=O)CN(C)CCC(C)C 269982a_100000742789_100000188475 [0,1,0,0,0,1|2,0,0]=4 7225 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)C 7a_100009816390_100000210760 [0,1,0,0,0,1|2,0,0]=4 7226 B12R0.283 CCOC(=O)C[C@H](O)CNC(C)C 34a_100138425928_100000688340 [0,1,0,0,0,1|2,0,0]=4 7227 B12R0.283 CCOC(=O)C[C@H](O)COC(C)C 34a_100000212225_100000688340 [0,1,0,0,0,1|2,0,0]=4 7228 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000210206_100000688340 [0,1,0,0,0,1|2,0,0]=4 7229 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000688340_100000210206 [0,1,0,0,0,1|2,0,0]=4 7230 B12R0.283 CCOC(=O)OC(C)SCC(C)C 62a_100000036008_100000210760 [0,1,0,0,0,1|1,0,0]=3 7231 B12R0.283 CCOC(=O)OC(C)SCC(C)C 62a_100000210624_100000036008 [0,1,0,0,0,1|1,0,0]=3 7232 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100000036008_100011218427 [0,1,0,0,0,1|2,0,0]=4 7233 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100011218427_100000036008 [0,1,0,0,0,1|2,0,0]=4 7234 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100000036008_100009817552 [0,1,0,0,0,1|2,0,0]=4 7235 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100000036008 [0,1,0,0,0,1|2,0,0]=4 7236 B12R0.283 CNCC(=O)NC(C)CCC(C)C 2230a_106832991635_100000229880 [0,1,0,0,0,1|2,0,0]=4 7237 B12R0.283 CNCC(=O)NC(C)CCC(C)C 34a_100102657272_100000229880 [0,1,0,0,0,1|2,0,0]=4 7238 B12R0.283 CNCC(=O)NC(C)CCC(C)C 7a_106832991635_100000229880 [0,1,0,0,0,1|2,0,0]=4 7239 B12R0.283 COCC(=O)NC(C)CCC(C)C 11a_100138410893_100000210968 [0,1,0,0,0,1|2,0,0]=4 7240 B12R0.283 COCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000210968 [0,1,0,0,0,1|2,0,0]=4 7241 B12R0.283 COCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000210968 [0,1,0,0,0,1|2,0,0]=4 7242 B12R0.283 COCC(=O)NC(C)CCC(C)C 34a_100138415774_100000229880 [0,1,0,0,0,1|2,0,0]=4 7243 B12R0.283 COCC(=O)NC(C)CCC(C)C 527a_100138410893_100000210968 [0,1,0,0,0,1|2,0,0]=4 7244 B12R0.283 CSCC(=O)NC(C)CCC(C)C 11a_100138410893_100000184570 [0,1,0,0,0,1|2,0,0]=4 7245 B12R0.283 CSCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000184570 [0,1,0,0,0,1|2,0,0]=4 7246 B12R0.283 CSCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000184570 [0,1,0,0,0,1|2,0,0]=4 7247 B12R0.283 CSCC(=O)NC(C)CCC(C)C 527a_100138410893_100000184570 [0,1,0,0,0,1|2,0,0]=4 7248 B12R0.283 CSCC(=O)NC(C)CCC(C)C 62a_100000229880_200000210301 [0,1,0,0,0,1|2,0,0]=4 7249 B12R0.283 CSCC(=O)NC(C)CCC(C)C 62a_200000210301_100000229880 [0,1,0,0,0,1|2,0,0]=4 7250 B12R0.2 C#CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000692101 [0,2,0,0,0,0|1,0,1]=4 7251 B12R0.2 C#CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000692101 [0,2,0,0,0,0|1,0,1]=4 7252 B12R0.2 C#CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000692101 [0,2,0,0,0,0|1,0,1]=4 7253 B12R0.2 C#CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000692101 [0,2,0,0,0,0|1,0,1]=4 7254 B12R0.2 C=CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000749702 [0,2,0,0,0,0|1,0,1]=4 7255 B12R0.2 C=CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000749702 [0,2,0,0,0,0|1,0,1]=4 7256 B12R0.2 C=CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000749702 [0,2,0,0,0,0|1,0,1]=4 7257 B12R0.2 C=CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000749702 [0,2,0,0,0,0|1,0,1]=4 7258 B12R0.2 CC(C)CC(C)NC(=O)CCC#N 11a_100000692259_100011934036 [0,2,0,0,0,0|1,0,1]=4 7259 B12R0.2 CC(C)CC(C)NC(=O)CCC#N 1626a_100000692259_100011934036 [0,2,0,0,0,0|1,0,1]=4 7260 B12R0.2 CC(C)CC(C)NC(=O)CCC#N 240690a_100000692259_100011934036 [0,2,0,0,0,0|1,0,1]=4 7261 B12R0.2 CC(C)CC(C)NC(=O)CCC#N 527a_100000692259_100011934036 [0,2,0,0,0,0|1,0,1]=4 7262 B12R0.2 CC(C)CC(C)NC(=O)NCCF 2708a_100000692259_100000724931 [0,2,0,0,0,0|2,0,0]=4 7263 B12R0.2 CC(C)CC(C)NC(=O)NCCF 273464a_100000692259_100000724931 [0,2,0,0,0,0|2,0,0]=4 7264 B12R0.2 CC(C)CC(C)NC(=O)NCCF 512a_100000692259_100000724931 [0,2,0,0,0,0|2,0,0]=4 7265 B12R0.2 CC(C)CC(C)NC(=O)NCCO 2708a_100000692259_100000210304 [0,2,0,0,0,0|2,0,0]=4 7266 B12R0.2 CC(C)CC(C)NC(=O)NCCO 273464a_100000692259_100000210304 [0,2,0,0,0,0|2,0,0]=4 7267 B12R0.2 CC(C)CC(C)NC(=O)NCCO 512a_100000692259_100000210304 [0,2,0,0,0,0|2,0,0]=4 7268 B12R0.2 CC(C)CC(C)OC(C)CCCCl 34a_200000718107_100000731052 [0,2,0,0,0,0|1,0,1]=4 7269 B12R0.2 CC(C)CC(C)OC(C)CCCCl 7a_200000718107_100000731052 [0,2,0,0,0,0|1,0,1]=4 7270 B12R0.2 CC=CCC(=O)NC(C)CC(C)C 11a_100000692259_100121576822 [0,2,0,0,0,0|1,0,1]=4 7271 B12R0.2 CC=CCC(=O)NC(C)CC(C)C 1626a_100000692259_100121576822 [0,2,0,0,0,0|1,0,1]=4 7272 B12R0.2 CC=CCC(=O)NC(C)CC(C)C 240690a_100000692259_100121576822 [0,2,0,0,0,0|1,0,1]=4 7273 B12R0.2 CC=CCC(=O)NC(C)CC(C)C 527a_100000692259_100121576822 [0,2,0,0,0,0|1,0,1]=4 7274 B12R0.2 CCC=CC(=O)NC(C)CC(C)C 11a_100000692259_100000212282 [0,2,0,0,0,0|1,0,1]=4 7275 B12R0.2 CCC=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000212282 [0,2,0,0,0,0|1,0,1]=4 7276 B12R0.2 CCC=CC(=O)NC(C)CC(C)C 240690a_100000692259_100000212282 [0,2,0,0,0,0|1,0,1]=4 7277 B12R0.2 CCCCC(=O)NC(C)CC(C)C 11a_100000692259_100000210183 [0,2,0,0,0,0|1,0,0]=3 7278 B12R0.2 CCCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210183 [0,2,0,0,0,0|1,0,0]=3 7279 B12R0.2 CCCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210183 [0,2,0,0,0,0|1,0,0]=3 7280 B12R0.2 CCCCC(=O)NC(C)CC(C)C 527a_100000692259_100000210183 [0,2,0,0,0,0|1,0,0]=3 7281 B12R0.2 CCCCC(=O)NC(C)CN(C)C 11a_100016992788_100000210183 [0,2,0,0,0,0|2,0,0]=4 7282 B12R0.2 CCCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210183 [0,2,0,0,0,0|2,0,0]=4 7283 B12R0.2 CCCCC(=O)NC(C)CN(C)C 527a_100016992788_100000210183 [0,2,0,0,0,0|2,0,0]=4 7284 B12R0.2 CCCCC(C)OC(C)CC(C)C 34a_100000211805_200011215066 [0,2,0,0,0,0|1,0,1]=4 7285 B12R0.2 CCCCC(C)OC(C)CC(C)C 34a_100000687866_100000731052 [0,2,0,0,0,0|1,0,1]=4 7286 B12R0.2 CCCCC(C)OC(C)CC(C)C 7a_100000211805_200011215066 [0,2,0,0,0,0|1,0,1]=4 7287 B12R0.2 CCCCC(C)OC(C)CC(C)C 7a_100000687866_100000731052 [0,2,0,0,0,0|1,0,1]=4 7288 B12R0.2 CCCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183358 [0,2,0,0,0,0|1,0,1]=4 7289 B12R0.2 CCCNC(=O)CN(C)CC(C)C 2230a_100000684209_100000210760 [0,2,0,0,0,0|2,0,0]=4 7290 B12R0.2 CCCNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183358 [0,2,0,0,0,0|2,0,0]=4 7291 B12R0.2 CCCNC(=O)CN(C)CC(C)C 269982a_100000684209_100000210624 [0,2,0,0,0,0|2,0,0]=4 7292 B12R0.2 CCCNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183358 [0,2,0,0,0,0|2,0,0]=4 7293 B12R0.2 CCCNC(=O)CN(C)CC(C)C 270004a_100000684209_100000210432 [0,2,0,0,0,0|2,0,0]=4 7294 B12R0.2 CCCNC(=O)NC(C)CC(C)C 2708a_100000692259_100020643023 [0,2,0,0,0,0|1,0,0]=3 7295 B12R0.2 CCCNC(=O)NC(C)CC(C)C 2708a_100020643023_100000692259 [0,2,0,0,0,0|1,0,0]=3 7296 B12R0.2 CCCNC(=O)NC(C)CC(C)C 273464a_100000692259_100020643023 [0,2,0,0,0,0|1,0,0]=3 7297 B12R0.2 CCCNC(=O)NC(C)CC(C)C 512a_100000692259_100020643023 [0,2,0,0,0,0|1,0,0]=3 7298 B12R0.2 CCCNC(=O)NC(C)CC(C)C 512a_100020643023_100000692259 [0,2,0,0,0,0|1,0,0]=3 7299 B12R0.2 CCCNC(=O)NC(C)CN(C)C 2708a_100020643023_100016992788 [0,2,0,0,0,0|2,0,0]=4 7300 B12R0.2 CCCNC(=O)NC(C)CN(C)C 273464a_100016992788_100020643023 [0,2,0,0,0,0|2,0,0]=4 7301 B12R0.2 CCCNC(=O)NC(C)CN(C)C 273464a_100020643023_100016992788 [0,2,0,0,0,0|2,0,0]=4 7302 B12R0.2 CCCNC(=O)NC(C)CN(C)C 512a_100016992788_100020643023 [0,2,0,0,0,0|2,0,0]=4 7303 B12R0.2 CCCNC(=O)NC(C)CN(C)C 512a_100020643023_100016992788 [0,2,0,0,0,0|2,0,0]=4 7304 B12R0.2 CCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_200011215008 [0,2,0,0,0,0|1,0,1]=4 7305 B12R0.2 CCCOC(=O)CN(C)CC(C)C 2230a_100000747067_200011215008 [0,2,0,0,0,0|2,0,0]=4 7306 B12R0.2 CCCOC(=O)CN(C)CC(C)C 269982a_100000747067_200011215008 [0,2,0,0,0,0|2,0,0]=4 7307 B12R0.2 CCNNC(=O)NC(C)CC(C)C 273464a_100000692259_100000756455 [0,2,0,0,0,0|2,0,0]=4 7308 B12R0.2 CCNNC(=O)NC(C)CC(C)C 512a_100000692259_100000756455 [0,2,0,0,0,0|2,0,0]=4 7309 B12R0.2 CCNNC(=O)NC(C)CC(C)C 512a_100000756455_100000692259 [0,2,0,0,0,0|2,0,0]=4 7310 B12R0.2 CCOCC(=O)NC(C)CC(C)C 11a_100000692259_100000211967 [0,2,0,0,0,0|1,0,0]=3 7311 B12R0.2 CCOCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211967 [0,2,0,0,0,0|1,0,0]=3 7312 B12R0.2 CCOCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211967 [0,2,0,0,0,0|1,0,0]=3 7313 B12R0.2 CCOCC(=O)NC(C)CC(C)C 527a_100000692259_100000211967 [0,2,0,0,0,0|1,0,0]=3 7314 B12R0.2 CCOCC(=O)NC(C)CN(C)C 11a_100016992788_100000211967 [0,2,0,0,0,0|2,0,0]=4 7315 B12R0.2 CCOCC(=O)NC(C)CN(C)C 240690a_100016992788_100000211967 [0,2,0,0,0,0|2,0,0]=4 7316 B12R0.2 CCOCC(=O)NC(C)CN(C)C 527a_100016992788_100000211967 [0,2,0,0,0,0|2,0,0]=4 7317 B12R0.2 CCOCC(C)OC(C)CC(C)C 34a_100000718985_100000731052 [0,2,0,0,0,0|1,0,1]=4 7318 B12R0.2 CCOCC(C)OC(C)CC(C)C 7a_100000718985_100000731052 [0,2,0,0,0,0|1,0,1]=4 7319 B12R0.2 CCSCC(=O)NC(C)CC(C)C 11a_100000692259_100000230394 [0,2,0,0,0,0|1,0,0]=3 7320 B12R0.2 CCSCC(=O)NC(C)CC(C)C 1626a_100000692259_100000230394 [0,2,0,0,0,0|1,0,0]=3 7321 B12R0.2 CCSCC(=O)NC(C)CC(C)C 240690a_100000692259_100000230394 [0,2,0,0,0,0|1,0,0]=3 7322 B12R0.2 CCSCC(=O)NC(C)CC(C)C 527a_100000692259_100000230394 [0,2,0,0,0,0|1,0,0]=3 7323 B12R0.2 CCSCC(=O)NC(C)CN(C)C 11a_100016992788_100000230394 [0,2,0,0,0,0|2,0,0]=4 7324 B12R0.2 CCSCC(=O)NC(C)CN(C)C 240690a_100016992788_100000230394 [0,2,0,0,0,0|2,0,0]=4 7325 B12R0.2 CCSCC(=O)NC(C)CN(C)C 527a_100016992788_100000230394 [0,2,0,0,0,0|2,0,0]=4 7326 B12R0.2 COCCC(=O)NC(C)CC(C)C 11a_100000692259_100000749529 [0,2,0,0,0,0|1,0,0]=3 7327 B12R0.2 COCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000749529 [0,2,0,0,0,0|1,0,0]=3 7328 B12R0.2 COCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000749529 [0,2,0,0,0,0|1,0,0]=3 7329 B12R0.2 COCCC(=O)NC(C)CC(C)C 527a_100000692259_100000749529 [0,2,0,0,0,0|1,0,0]=3 7330 B12R0.2 COCCC(=O)NC(C)CN(C)C 11a_100016992788_100000749529 [0,2,0,0,0,0|2,0,0]=4 7331 B12R0.2 COCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000749529 [0,2,0,0,0,0|2,0,0]=4 7332 B12R0.2 COCCC(=O)NC(C)CN(C)C 527a_100016992788_100000749529 [0,2,0,0,0,0|2,0,0]=4 7333 B12R0.2 CSCCC(=O)NC(C)CC(C)C 11a_100000692259_100000174002 [0,2,0,0,0,0|1,0,0]=3 7334 B12R0.2 CSCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000174002 [0,2,0,0,0,0|1,0,0]=3 7335 B12R0.2 CSCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000174002 [0,2,0,0,0,0|1,0,0]=3 7336 B12R0.2 CSCCC(=O)NC(C)CC(C)C 527a_100000692259_100000174002 [0,2,0,0,0,0|1,0,0]=3 7337 B12R0.2 CSCCC(=O)NC(C)CN(C)C 11a_100016992788_100000174002 [0,2,0,0,0,0|2,0,0]=4 7338 B12R0.2 CSCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000174002 [0,2,0,0,0,0|2,0,0]=4 7339 B12R0.2 CSCCC(=O)NC(C)CN(C)C 527a_100016992788_100000174002 [0,2,0,0,0,0|2,0,0]=4 7340 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 11a_100000692259_100000210554 [0,2,0,0,0,0|1,0,0]=3 7341 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 1626a_100000692259_100000210554 [0,2,0,0,0,0|1,0,0]=3 7342 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 240690a_100000692259_100000210554 [0,2,0,0,0,0|1,0,0]=3 7343 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 527a_100000692259_100000210554 [0,2,0,0,0,0|1,0,0]=3 7344 B12R0.3 CC(C)CC(=O)NC(C)CN(C)C 11a_100016992788_100000210554 [0,2,0,0,0,0|2,0,0]=4 7345 B12R0.3 CC(C)CC(=O)NC(C)CN(C)C 240690a_100016992788_100000210554 [0,2,0,0,0,0|2,0,0]=4 7346 B12R0.3 CC(C)CC(=O)NC(C)CN(C)C 527a_100016992788_100000210554 [0,2,0,0,0,0|2,0,0]=4 7347 B12R0.3 CC(C)CC(C)NC(=O)CN(C)C 11a_100000692259_100000750896 [0,2,0,0,0,0|2,0,0]=4 7348 B12R0.3 CC(C)CC(C)NC(=O)CN(C)C 240690a_100000692259_100000750896 [0,2,0,0,0,0|2,0,0]=4 7349 B12R0.3 CC(C)CC(C)NC(=O)CN(C)C 527a_100000692259_100000750896 [0,2,0,0,0,0|2,0,0]=4 7350 B12R0.3 CC(C)CC(C)NC(=O)C[C@@H](C)O 240690a_100000692259_100011933948 [0,2,0,0,0,0|1,0,0]=3 7351 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 11a_100000692259_200159257847 [0,2,0,0,0,0|2,0,0]=4 7352 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 1626a_100000692259_200159257847 [0,2,0,0,0,0|2,0,0]=4 7353 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 240690a_100000692259_200159257847 [0,2,0,0,0,0|2,0,0]=4 7354 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 527a_100000692259_200159257847 [0,2,0,0,0,0|2,0,0]=4 7355 B12R0.3 CC(C)CC(C)NC(=O)NC(C)C 2708a_100000692259_100138425928 [0,2,0,0,0,0|2,0,0]=4 7356 B12R0.3 CC(C)CC(C)NC(=O)NC(C)C 2708a_100138425928_100000692259 [0,2,0,0,0,0|2,0,0]=4 7357 B12R0.3 CC(C)CC(C)NC(=O)NC(C)C 512a_100000692259_100138425928 [0,2,0,0,0,0|2,0,0]=4 7358 B12R0.3 CC(C)CC(C)NC(=O)NC(C)C 512a_100138425928_100000692259 [0,2,0,0,0,0|2,0,0]=4 7359 B12R0.3 CC(C)CC(C)OC(C)CC(C)C 34a_100000211805_100000731052 [0,2,0,0,0,0|1,0,1]=4 7360 B12R0.3 CC(C)CC(C)OC(C)CC(C)C 7a_100000211805_100000731052 [0,2,0,0,0,0|1,0,1]=4 7361 B12R0.3 CC(C)OC(=O)OC(C)SC(C)C 62a_100000067433_100000210206 [0,2,0,0,0,0|2,0,0]=4 7362 B12R0.3 CC(C)OC(=O)OC(C)SC(C)C 62a_100000210206_100000067433 [0,2,0,0,0,0|2,0,0]=4 7363 B12R0.3 CC(CN(C)C)NC(=O)C[C@@H](C)O 240690a_100016992788_100011933948 [0,2,0,0,0,0|2,0,0]=4 7364 B12R0.18 C#CC(CC(C)C)OC(C)CCC 34a_100011215986_100000766640 [0,2,0,0,0,0|1,0,1]=4 7365 B12R0.18 C#CC(CC(C)C)OC(C)CCC 7a_100011215986_100000766640 [0,2,0,0,0,0|1,0,1]=4 7366 B12R0.18 C=CC(CC(C)C)OC(C)CCC 34a_100012186643_100000766640 [0,2,0,0,0,0|1,0,1]=4 7367 B12R0.18 C=CC(CC(C)C)OC(C)CCC 7a_100012186643_100000766640 [0,2,0,0,0,0|1,0,1]=4 7368 B12R0.18 CC(C)CC(C#N)NC(=O)CCO 240690a_100000741378_100011216618 [0,2,0,0,0,0|2,0,0]=4 7369 B12R0.18 CC(C)C[C@@H](CO)NC(=O)CCO 240690a_100011830311_100011216618 [0,2,0,0,0,0|2,0,0]=4 7370 B12R0.18 CCCC(=O)CN(CC)CC(C)C 2230a_100000738554_100000747444 [0,2,0,0,0,0|2,0,0]=4 7371 B12R0.18 CCCC(=O)CN(CC)CC(C)C 269982a_100000738554_100000747444 [0,2,0,0,0,0|2,0,0]=4 7372 B12R0.18 CCCC(=O)NC(C#N)CC(C)C 11a_100000741378_100000211992 [0,2,0,0,0,0|1,0,0]=3 7373 B12R0.18 CCCC(=O)NC(C#N)CC(C)C 1626a_100000741378_100000211992 [0,2,0,0,0,0|1,0,0]=3 7374 B12R0.18 CCCC(=O)NC(C#N)CC(C)C 240690a_100000741378_100000211992 [0,2,0,0,0,0|1,0,0]=3 7375 B12R0.18 CCCC(=O)NC(C#N)CC(C)C 527a_100000741378_100000211992 [0,2,0,0,0,0|1,0,0]=3 7376 B12R0.18 CCCC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100000211992 [0,2,0,0,0,0|1,0,0]=3 7377 B12R0.18 CCCC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100000211992 [0,2,0,0,0,0|1,0,0]=3 7378 B12R0.18 CCCC(C)OC(C#N)CC(C)C 34a_200011294978_100000766640 [0,2,0,0,0,0|1,0,1]=4 7379 B12R0.18 CCCC(C)OC(C#N)CC(C)C 7a_200011294978_100000766640 [0,2,0,0,0,0|1,0,1]=4 7380 B12R0.18 CCNC(=O)NC(C#N)CC(C)C 2708a_100000741378_100015525214 [0,2,0,0,0,0|2,0,0]=4 7381 B12R0.18 CCNC(=O)NC(C#N)CC(C)C 2708a_100015525214_100000741378 [0,2,0,0,0,0|2,0,0]=4 7382 B12R0.18 CCNC(=O)NC(C#N)CC(C)C 273464a_100000741378_100015525214 [0,2,0,0,0,0|2,0,0]=4 7383 B12R0.18 CCNC(=O)NC(C#N)CC(C)C 273464a_100015525214_100000741378 [0,2,0,0,0,0|2,0,0]=4 7384 B12R0.18 CCNC(=O)NC(C#N)CC(C)C 512a_100000741378_100015525214 [0,2,0,0,0,0|2,0,0]=4 7385 B12R0.18 CCNC(=O)NC(C#N)CC(C)C 512a_100015525214_100000741378 [0,2,0,0,0,0|2,0,0]=4 7386 B12R0.18 CCNC(=O)N[C@H](CO)CC(C)C 2708a_100015525214_100011830311 [0,2,0,0,0,0|2,0,0]=4 7387 B12R0.18 CCNC(=O)N[C@H](CO)CC(C)C 273464a_100011830311_100015525214 [0,2,0,0,0,0|2,0,0]=4 7388 B12R0.18 CCNC(=O)N[C@H](CO)CC(C)C 273464a_100015525214_100011830311 [0,2,0,0,0,0|2,0,0]=4 7389 B12R0.18 CCNC(=O)N[C@H](CO)CC(C)C 512a_100011830311_100015525214 [0,2,0,0,0,0|2,0,0]=4 7390 B12R0.18 CCNC(=O)N[C@H](CO)CC(C)C 512a_100015525214_100011830311 [0,2,0,0,0,0|2,0,0]=4 7391 B12R0.18 COCC(=O)NC(C#N)CC(C)C 11a_100000741378_100000210968 [0,2,0,0,0,0|2,0,0]=4 7392 B12R0.18 COCC(=O)NC(C#N)CC(C)C 1626a_100000741378_100000210968 [0,2,0,0,0,0|2,0,0]=4 7393 B12R0.18 COCC(=O)NC(C#N)CC(C)C 240690a_100000741378_100000210968 [0,2,0,0,0,0|2,0,0]=4 7394 B12R0.18 COCC(=O)NC(C#N)CC(C)C 527a_100000741378_100000210968 [0,2,0,0,0,0|2,0,0]=4 7395 B12R0.18 COCC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100000210968 [0,2,0,0,0,0|2,0,0]=4 7396 B12R0.18 COCC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100000210968 [0,2,0,0,0,0|2,0,0]=4 7397 B12R0.18 CSCC(=O)NC(C#N)CC(C)C 11a_100000741378_100000184570 [0,2,0,0,0,0|2,0,0]=4 7398 B12R0.18 CSCC(=O)NC(C#N)CC(C)C 1626a_100000741378_100000184570 [0,2,0,0,0,0|2,0,0]=4 7399 B12R0.18 CSCC(=O)NC(C#N)CC(C)C 240690a_100000741378_100000184570 [0,2,0,0,0,0|2,0,0]=4 7400 B12R0.18 CSCC(=O)NC(C#N)CC(C)C 527a_100000741378_100000184570 [0,2,0,0,0,0|2,0,0]=4 7401 B12R0.18 CSCC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100000184570 [0,2,0,0,0,0|2,0,0]=4 7402 B12R0.18 CSCC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100000184570 [0,2,0,0,0,0|2,0,0]=4 7403 B12R0.20 CCCC(=O)CC(=O)C(C)C(C)C 1458a_100000755409_100000747444 [0,2,0,0,0,0|1,0,1]=4 7404 B12R0.20 CCCC(=O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000747444 [0,2,0,0,0,0|1,0,1]=4 7405 B12R0.20 CCCC(=O)CN(C)C(C)C(C)C 2230a_100000228512_100000747444 [0,2,0,0,0,0|2,0,0]=4 7406 B12R0.20 CCCC(=O)CN(C)C(C)C(C)C 269982a_100000228512_100000747444 [0,2,0,0,0,0|2,0,0]=4 7407 B12R0.20 CCCC(=O)NC(C)C(=O)C(C)C 1458a_100000205598_100000210206 [0,2,0,0,0,0|1,0,1]=4 7408 B12R0.20 CCOC(=O)OC(C)N(C)C(C)C 269982a_200000211004_100000036008 [0,2,0,0,0,0|2,0,0]=4 7409 B12R0.68 CCC(C)CC(C)NC(=O)CCO 240690a_100000763565_100011216618 [0,2,0,0,0,0|2,0,0]=4 7410 B12R0.68 CCC(C)CC(C)NC(=O)COC 11a_100000763565_100000210968 [0,2,0,0,0,0|2,0,0]=4 7411 B12R0.68 CCC(C)CC(C)NC(=O)COC 1626a_100000763565_100000210968 [0,2,0,0,0,0|2,0,0]=4 7412 B12R0.68 CCC(C)CC(C)NC(=O)COC 240690a_100000763565_100000210968 [0,2,0,0,0,0|2,0,0]=4 7413 B12R0.68 CCC(C)CC(C)NC(=O)COC 527a_100000763565_100000210968 [0,2,0,0,0,0|2,0,0]=4 7414 B12R0.68 CCC(C)CC(C)NC(=O)CSC 11a_100000763565_100000184570 [0,2,0,0,0,0|2,0,0]=4 7415 B12R0.68 CCC(C)CC(C)NC(=O)CSC 1626a_100000763565_100000184570 [0,2,0,0,0,0|2,0,0]=4 7416 B12R0.68 CCC(C)CC(C)NC(=O)CSC 240690a_100000763565_100000184570 [0,2,0,0,0,0|2,0,0]=4 7417 B12R0.68 CCC(C)CC(C)NC(=O)CSC 527a_100000763565_100000184570 [0,2,0,0,0,0|2,0,0]=4 7418 B12R0.68 CCCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747444 [0,2,0,0,0,0|1,0,1]=4 7419 B12R0.68 CCCC(=O)CN(C)CC(C)CC 2230a_100000753921_100000747444 [0,2,0,0,0,0|2,0,0]=4 7420 B12R0.68 CCCC(=O)CN(C)CC(C)CC 269982a_100000753921_100000747444 [0,2,0,0,0,0|2,0,0]=4 7421 B12R0.68 CCCC(=O)NC(C)CC(C)CC 11a_100000763565_100000211992 [0,2,0,0,0,0|1,0,0]=3 7422 B12R0.68 CCCC(=O)NC(C)CC(C)CC 1626a_100000763565_100000211992 [0,2,0,0,0,0|1,0,0]=3 7423 B12R0.68 CCCC(=O)NC(C)CC(C)CC 240690a_100000763565_100000211992 [0,2,0,0,0,0|1,0,0]=3 7424 B12R0.68 CCCC(=O)NC(C)CC(C)CC 527a_100000763565_100000211992 [0,2,0,0,0,0|1,0,0]=3 7425 B12R0.68 CCNC(=O)NC(C)CC(C)CC 2708a_100000763565_100015525214 [0,2,0,0,0,0|2,0,0]=4 7426 B12R0.68 CCNC(=O)NC(C)CC(C)CC 2708a_100015525214_100000763565 [0,2,0,0,0,0|2,0,0]=4 7427 B12R0.68 CCNC(=O)NC(C)CC(C)CC 273464a_100000763565_100015525214 [0,2,0,0,0,0|2,0,0]=4 7428 B12R0.68 CCNC(=O)NC(C)CC(C)CC 273464a_100015525214_100000763565 [0,2,0,0,0,0|2,0,0]=4 7429 B12R0.68 CCNC(=O)NC(C)CC(C)CC 512a_100000763565_100015525214 [0,2,0,0,0,0|2,0,0]=4 7430 B12R0.68 CCNC(=O)NC(C)CC(C)CC 512a_100015525214_100000763565 [0,2,0,0,0,0|2,0,0]=4 7431 B12R0.68 CCOC(=O)OC(C)SC(C)CC 62a_100000036008_100000758301 [0,2,0,0,0,0|2,0,0]=4 7432 B12R0.68 CCOC(=O)OC(C)SC(C)CC 62a_100000758301_100000036008 [0,2,0,0,0,0|2,0,0]=4 7433 B12R0.68 CCOC(=O)OC(C)SC(C)CO 62a_100012180447_100000036008 [0,2,0,0,0,0|2,0,0]=4 7434 B12R0.68 CCOC(=O)OC(C)SC(C)OC 62a_100000036008_100009879195 [0,2,0,0,0,0|2,0,0]=4 7435 B12R0.68 CCOC(=O)OC(C)SC(C)OC 62a_100009879195_100000036008 [0,2,0,0,0,0|2,0,0]=4 7436 B12R0.68 CCOC(=O)OC(C)S[C@H](C)CO 62a_100000036008_100016084084 [0,2,0,0,0,0|2,0,0]=4 7437 B12R0.68 CCOC(=O)OC(C)S[C@H](C)CO 62a_100016084084_100000036008 [0,2,0,0,0,0|2,0,0]=4 7438 B12R0.78 CC(CC(=O)CCF)CC(C)(C)C 1458a_100000239893_100011217306 [0,2,0,0,0,0|2,0,0]=4 7439 B12R0.78 CC(CC(=O)CCO)CC(C)(C)C 1458a_100000239893_100000211926 [0,2,0,0,0,0|2,0,0]=4 7440 B12R0.78 CCCC(=O)CC(=O)CC(C)(C)C 1458a_100000211214_100000747444 [0,2,0,0,0,0|1,0,1]=4 7441 B12R0.78 CCCC(=O)CC(=O)CC(C)(C)O 1458a_100000693243_100000747444 [0,2,0,0,0,0|1,0,1]=4 7442 B12R0.78 CCCC(=O)CC(C)CC(C)(C)C 1458a_100000239893_100000210303 [0,2,0,0,0,0|1,0,0]=3 7443 B12R0.78 CCCC(=O)CC(O)C[N+](C)(C)C 1458a_100000211992_100000032816 [0,2,0,0,0,0|2,0,0]=4 7444 B12R0.78 CCCC(=O)CN(C)CC(C)(C)C 2230a_100000742839_100000747444 [0,2,0,0,0,0|2,0,0]=4 7445 B12R0.78 CCCC(=O)CN(C)CC(C)(C)C 269982a_100000742839_100000747444 [0,2,0,0,0,0|2,0,0]=4 7446 B12R0.78 CCCC(=O)CN(C)CC(C)(C)O 2230a_100000755907_100000747444 [0,2,0,0,0,0|2,0,0]=4 7447 B12R0.78 CCCC(=O)CN(C)CC(C)(C)O 269982a_100000755907_100000747444 [0,2,0,0,0,0|2,0,0]=4 7448 B12R0.78 CCCC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_100000210303 [0,2,0,0,0,0|2,0,0]=4 7449 B12R0.78 CCCC(=O)N[C@@H](C)CC(C)(C)C 11a_106358413534_100000211992 [0,2,0,0,0,0|1,0,0]=3 7450 B12R0.78 CCCC(=O)N[C@@H](C)CC(C)(C)C 1626a_106358413534_100000211992 [0,2,0,0,0,0|1,0,0]=3 7451 B12R0.78 CCCC(=O)N[C@@H](C)CC(C)(C)C 240690a_106358413534_100000211992 [0,2,0,0,0,0|1,0,0]=3 7452 B12R0.78 CCCC(=O)N[C@@H](C)CC(C)(C)C 527a_106358413534_100000211992 [0,2,0,0,0,0|1,0,0]=3 7453 B12R0.78 CCCC(C)OC(C)CC(C)(C)C 7a_200011218616_100000766640 [0,2,0,0,0,0|1,0,1]=4 7454 B12R0.78 CCNC(=O)CC(C)CC(C)(C)C 11a_100015525214_100000239893 [0,2,0,0,0,0|2,0,0]=4 7455 B12R0.78 CCNC(=O)CC(C)CC(C)(C)C 240690a_100015525214_100000239893 [0,2,0,0,0,0|2,0,0]=4 7456 B12R0.78 CCNC(=O)CC(C)CC(C)(C)C 527a_100015525214_100000239893 [0,2,0,0,0,0|2,0,0]=4 7457 B12R0.78 CCNC(=O)N[C@@H](C)CC(C)(C)C 2708a_100015525214_106358413534 [0,2,0,0,0,0|2,0,0]=4 7458 B12R0.78 CCNC(=O)N[C@@H](C)CC(C)(C)C 2708a_106358413534_100015525214 [0,2,0,0,0,0|2,0,0]=4 7459 B12R0.78 CCNC(=O)N[C@@H](C)CC(C)(C)C 273464a_100015525214_106358413534 [0,2,0,0,0,0|2,0,0]=4 7460 B12R0.78 CCNC(=O)N[C@@H](C)CC(C)(C)C 273464a_106358413534_100015525214 [0,2,0,0,0,0|2,0,0]=4 7461 B12R0.78 CCNC(=O)N[C@@H](C)CC(C)(C)C 512a_100015525214_106358413534 [0,2,0,0,0,0|2,0,0]=4 7462 B12R0.78 CCNC(=O)N[C@@H](C)CC(C)(C)C 512a_106358413534_100015525214 [0,2,0,0,0,0|2,0,0]=4 7463 B12R0.78 CCOC(=O)OC(C)SC(C)(C)C 62a_100000036008_100000211941 [0,2,0,0,0,0|2,0,0]=4 7464 B12R0.78 CCOC(=O)OC(C)SC(C)(C)C 62a_100000211941_100000036008 [0,2,0,0,0,0|2,0,0]=4 7465 B12R0.78 COCC(=O)N[C@@H](C)CC(C)(C)C 11a_106358413534_100000210968 [0,2,0,0,0,0|2,0,0]=4 7466 B12R0.78 COCC(=O)N[C@@H](C)CC(C)(C)C 1626a_106358413534_100000210968 [0,2,0,0,0,0|2,0,0]=4 7467 B12R0.78 COCC(=O)N[C@@H](C)CC(C)(C)C 240690a_106358413534_100000210968 [0,2,0,0,0,0|2,0,0]=4 7468 B12R0.78 COCC(=O)N[C@@H](C)CC(C)(C)C 527a_106358413534_100000210968 [0,2,0,0,0,0|2,0,0]=4 7469 B12R0.78 CSCC(=O)N[C@@H](C)CC(C)(C)C 11a_106358413534_100000184570 [0,2,0,0,0,0|2,0,0]=4 7470 B12R0.78 CSCC(=O)N[C@@H](C)CC(C)(C)C 1626a_106358413534_100000184570 [0,2,0,0,0,0|2,0,0]=4 7471 B12R0.78 CSCC(=O)N[C@@H](C)CC(C)(C)C 240690a_106358413534_100000184570 [0,2,0,0,0,0|2,0,0]=4 7472 B12R0.78 CSCC(=O)N[C@@H](C)CC(C)(C)C 527a_106358413534_100000184570 [0,2,0,0,0,0|2,0,0]=4 7473 B12R0.78 C[C@@H](CC(C)(C)C)NC(=O)CCO 240690a_106358413534_100011216618 [0,2,0,0,0,0|2,0,0]=4 7474 B12R0.191 CC(C)CC(C)N(C)C(=O)CCO 240690a_100000745462_100011216618 [0,2,0,0,0,0|2,0,0]=4 7475 B12R0.191 CCCC(=O)N(C)C(C)CC(C)C 11a_100000745462_100000211992 [0,2,0,0,0,0|1,0,0]=3 7476 B12R0.191 CCCC(=O)N(C)C(C)CC(C)C 1626a_100000745462_100000211992 [0,2,0,0,0,0|1,0,0]=3 7477 B12R0.191 CCCC(=O)N(C)C(C)CC(C)C 240690a_100000745462_100000211992 [0,2,0,0,0,0|1,0,0]=3 7478 B12R0.191 CCCC(=O)N(C)C(C)CC(C)C 527a_100000745462_100000211992 [0,2,0,0,0,0|1,0,0]=3 7479 B12R0.191 CCNC(=O)C(=O)C(C)CC(C)C 1458a_200011297158_100000731052 [0,2,0,0,0,0|2,0,0]=4 7480 B12R0.191 CCNC(=O)N(C)C(C)CC(C)C 2708a_100015525214_100000745462 [0,2,0,0,0,0|2,0,0]=4 7481 B12R0.191 COCC(=O)N(C)C(C)CC(C)C 11a_100000745462_100000210968 [0,2,0,0,0,0|2,0,0]=4 7482 B12R0.191 COCC(=O)N(C)C(C)CC(C)C 1626a_100000745462_100000210968 [0,2,0,0,0,0|2,0,0]=4 7483 B12R0.191 COCC(=O)N(C)C(C)CC(C)C 240690a_100000745462_100000210968 [0,2,0,0,0,0|2,0,0]=4 7484 B12R0.191 COCC(=O)N(C)C(C)CC(C)C 527a_100000745462_100000210968 [0,2,0,0,0,0|2,0,0]=4 7485 B12R0.191 CSCC(=O)N(C)C(C)CC(C)C 11a_100000745462_100000184570 [0,2,0,0,0,0|2,0,0]=4 7486 B12R0.191 CSCC(=O)N(C)C(C)CC(C)C 1626a_100000745462_100000184570 [0,2,0,0,0,0|2,0,0]=4 7487 B12R0.191 CSCC(=O)N(C)C(C)CC(C)C 240690a_100000745462_100000184570 [0,2,0,0,0,0|2,0,0]=4 7488 B12R0.191 CSCC(=O)N(C)C(C)CC(C)C 527a_100000745462_100000184570 [0,2,0,0,0,0|2,0,0]=4 7489 B12R0.297 C#CC(CCC)OC(C)CC(C)C 34a_200011217317_100000731052 [0,2,0,0,0,0|1,0,1]=4 7490 B12R0.297 C#CC(CCC)OC(C)CC(C)C 7a_200011217317_100000731052 [0,2,0,0,0,0|1,0,1]=4 7491 B12R0.297 C=CC(CCC)OC(C)CC(C)C 34a_100011216692_100000731052 [0,2,0,0,0,0|1,0,1]=4 7492 B12R0.297 C=CC(CCC)OC(C)CC(C)C 7a_100011216692_100000731052 [0,2,0,0,0,0|1,0,1]=4 7493 B12R0.297 CCCC(C#N)OC(C)CC(C)C 34a_100000686963_100000731052 [0,2,0,0,0,0|1,0,1]=4 7494 B12R0.297 CCCC(C#N)OC(C)CC(C)C 7a_100000686963_100000731052 [0,2,0,0,0,0|1,0,1]=4 7495 B12R0.297 CCCC(CC)OC(C)CC(C)C 34a_100000687864_100000731052 [0,2,0,0,0,0|1,0,1]=4 7496 B12R0.297 CCCC(CC)OC(C)CC(C)C 7a_100000211805_100011219200 [0,2,0,0,0,0|1,0,1]=4 7497 B12R0.297 CCCC(CC)OC(C)CC(C)C 7a_100000687864_100000731052 [0,2,0,0,0,0|1,0,1]=4 7498 B12R0.428 CCCC(C)(C)OC(C)CC(C)C 7a_100000748436_100000731052 [0,2,0,0,0,0|1,0,1]=4 7499 B12R0.428 CCCS(=O)(=O)NC(C)CC(C)C 270084a_100000692259_100000211391 [0,2,0,0,0,0|2,0,0]=4 7500 B12R0.428 CCCS(=O)(=O)NC(C)CC(C)C 274078a_100000692259_100000211391 [0,2,0,0,0,0|2,0,0]=4 7501 B12R0.428 CCCS(=O)(=O)NC(C)CC(C)C 40a_100000692259_100000054278 [0,2,0,0,0,0|2,0,0]=4 7502 B12R0.563 CC(C)CC(C)NC(=O)C(O)CO 240690a_100000692259_100011215603 [0,2,0,0,0,0|2,0,0]=4 7503 B12R0.563 CCC(C)C(=O)NC(C)CC(C)C 11a_100000692259_100011192722 [0,2,0,0,0,0|1,0,0]=3 7504 B12R0.563 CCC(C)C(=O)NC(C)CC(C)C 1626a_100000692259_100011192722 [0,2,0,0,0,0|1,0,0]=3 7505 B12R0.563 CCC(C)C(=O)NC(C)CC(C)C 240690a_100000692259_100011192722 [0,2,0,0,0,0|1,0,0]=3 7506 B12R0.563 CCC(C)C(=O)NC(C)CC(C)C 527a_100000692259_100011192722 [0,2,0,0,0,0|1,0,0]=3 7507 B12R0.563 CCC(C)C(=O)NC(C)CN(C)C 11a_100016992788_100011192722 [0,2,0,0,0,0|2,0,0]=4 7508 B12R0.563 CCC(C)C(=O)NC(C)CN(C)C 240690a_100016992788_100011192722 [0,2,0,0,0,0|2,0,0]=4 7509 B12R0.563 CCC(C)C(=O)NC(C)CN(C)C 527a_100016992788_100011192722 [0,2,0,0,0,0|2,0,0]=4 7510 B12R0.563 CCC(C)C(C)OC(C)CC(C)C 7a_100011215189_100000731052 [0,2,0,0,0,0|1,0,1]=4 7511 B12R0.563 CCC(O)C(=O)NC(C)CC(C)C 240690a_100000692259_100011196387 [0,2,0,0,0,0|1,0,0]=3 7512 B12R0.563 CCC(O)C(=O)NC(C)CN(C)C 240690a_100016992788_100011196387 [0,2,0,0,0,0|2,0,0]=4 7513 B12R0.563 CCN(C)C(=O)NC(C)CC(C)C 2708a_100000692259_100000225621 [0,2,0,0,0,0|2,0,0]=4 7514 B12R0.563 CCN(C)C(=O)NC(C)CC(C)C 273464a_100000692259_100000225621 [0,2,0,0,0,0|2,0,0]=4 7515 B12R0.563 COC(C)C(=O)NC(C)CC(C)C 11a_100000692259_100000743197 [0,2,0,0,0,0|2,0,0]=4 7516 B12R0.563 COC(C)C(=O)NC(C)CC(C)C 1626a_100000692259_100000743197 [0,2,0,0,0,0|2,0,0]=4 7517 B12R0.563 COC(C)C(=O)NC(C)CC(C)C 240690a_100000692259_100000743197 [0,2,0,0,0,0|2,0,0]=4 7518 B12R0.563 COC(C)C(=O)NC(C)CC(C)C 527a_100000692259_100000743197 [0,2,0,0,0,0|2,0,0]=4 7519 B12R0.563 CSC(C)C(=O)NC(C)CC(C)C 11a_100000692259_100000149566 [0,2,0,0,0,0|2,0,0]=4 7520 B12R0.563 CSC(C)C(=O)NC(C)CC(C)C 1626a_100000692259_100000149566 [0,2,0,0,0,0|2,0,0]=4 7521 B12R0.563 CSC(C)C(=O)NC(C)CC(C)C 240690a_100000692259_100000149566 [0,2,0,0,0,0|2,0,0]=4 7522 B12R0.563 CSC(C)C(=O)NC(C)CC(C)C 527a_100000692259_100000149566 [0,2,0,0,0,0|2,0,0]=4 7523 B12R0.744 CC(C)CC(C)(C)NC(=O)CCO 240690a_100011346068_100011216618 [0,2,0,0,0,0|2,0,0]=4 7524 B12R0.744 CCCC(=O)CS(=O)(=O)CC(C)C 1458a_200000740652_100000210303 [0,2,0,0,0,0|2,0,0]=4 7525 B12R0.744 CCCC(=O)NC(C)(C)CC(C)C 11a_100011346068_100000211992 [0,2,0,0,0,0|1,0,0]=3 7526 B12R0.744 CCCC(=O)NC(C)(C)CC(C)C 1626a_100011346068_100000211992 [0,2,0,0,0,0|1,0,0]=3 7527 B12R0.744 CCCC(=O)NC(C)(C)CC(C)C 240690a_100011346068_100000211992 [0,2,0,0,0,0|1,0,0]=3 7528 B12R0.744 CCCC(=O)NC(C)(C)CC(C)C 527a_100011346068_100000211992 [0,2,0,0,0,0|1,0,0]=3 7529 B12R0.744 CCCC(=O)NC(C)(C)CN(C)C 11a_100015183317_100000211992 [0,2,0,0,0,0|2,0,0]=4 7530 B12R0.744 CCCC(=O)NC(C)(C)CN(C)C 1626a_100015183317_100000211992 [0,2,0,0,0,0|2,0,0]=4 7531 B12R0.744 CCCC(=O)NC(C)(C)CN(C)C 240690a_100015183317_100000211992 [0,2,0,0,0,0|2,0,0]=4 7532 B12R0.744 CCCC(=O)NC(C)(C)CN(C)C 527a_100015183317_100000211992 [0,2,0,0,0,0|2,0,0]=4 7533 B12R0.744 CCCC(=O)NS(=O)(=O)CC(C)C 2740a_100000748329_100000211992 [0,2,0,0,0,0|2,0,0]=4 7534 B12R0.744 CCNC(=O)NC(C)(C)CC(C)C 2708a_100015525214_100011346068 [0,2,0,0,0,0|2,0,0]=4 7535 B12R0.744 CCNC(=O)NC(C)(C)CC(C)C 273464a_100011346068_100015525214 [0,2,0,0,0,0|2,0,0]=4 7536 B12R0.744 CCNC(=O)NC(C)(C)CC(C)C 273464a_100015525214_100011346068 [0,2,0,0,0,0|2,0,0]=4 7537 B12R0.744 CCNC(=O)NC(C)(C)CC(C)C 512a_100011346068_100015525214 [0,2,0,0,0,0|2,0,0]=4 7538 B12R0.744 CCNC(=O)NC(C)(C)CC(C)C 512a_100015525214_100011346068 [0,2,0,0,0,0|2,0,0]=4 7539 B12R0.744 COCC(=O)NC(C)(C)CC(C)C 11a_100011346068_100000210968 [0,2,0,0,0,0|2,0,0]=4 7540 B12R0.744 COCC(=O)NC(C)(C)CC(C)C 1626a_100011346068_100000210968 [0,2,0,0,0,0|2,0,0]=4 7541 B12R0.744 COCC(=O)NC(C)(C)CC(C)C 240690a_100011346068_100000210968 [0,2,0,0,0,0|2,0,0]=4 7542 B12R0.744 COCC(=O)NC(C)(C)CC(C)C 527a_100011346068_100000210968 [0,2,0,0,0,0|2,0,0]=4 7543 B12R0.744 CSCC(=O)NC(C)(C)CC(C)C 11a_100011346068_100000184570 [0,2,0,0,0,0|2,0,0]=4 7544 B12R0.744 CSCC(=O)NC(C)(C)CC(C)C 1626a_100011346068_100000184570 [0,2,0,0,0,0|2,0,0]=4 7545 B12R0.744 CSCC(=O)NC(C)(C)CC(C)C 240690a_100011346068_100000184570 [0,2,0,0,0,0|2,0,0]=4 7546 B12R0.744 CSCC(=O)NC(C)(C)CC(C)C 527a_100011346068_100000184570 [0,2,0,0,0,0|2,0,0]=4 7547 B12R0.66 CC(C)CC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210624 [0,2,0,0,0,0|2,0,0]=4 7548 B12R0.66 CC(C)CC(=O)CCC[N+](C)(C)C 1458a_100000210554_100016990835 [0,2,0,0,0,0|2,0,0]=4 7549 B12R0.66 CC(C)CC(=O)CCC[Si](C)(C)C 1458a_100000210554_100011219597 [0,2,0,0,0,0|1,1,0]=4 7550 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 11a_100000738805_100000210554 [0,2,0,0,0,0|1,0,0]=3 7551 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 1626a_100000738805_100000210554 [0,2,0,0,0,0|1,0,0]=3 7552 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 240690a_100000738805_100000210554 [0,2,0,0,0,0|1,0,0]=3 7553 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 527a_100000738805_100000210554 [0,2,0,0,0,0|1,0,0]=3 7554 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 11a_100016253952_100000210554 [0,2,0,0,0,0|1,0,0]=3 7555 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 1626a_100016253952_100000210554 [0,2,0,0,0,0|1,0,0]=3 7556 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 240690a_100016253952_100000210554 [0,2,0,0,0,0|1,0,0]=3 7557 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 527a_100016253952_100000210554 [0,2,0,0,0,0|1,0,0]=3 7558 B12R0.66 CC(C)CC(=O)NCCC(C)(C)O 1626a_100000707701_100000210554 [0,2,0,0,0,0|1,0,0]=3 7559 B12R0.66 CC(C)CC(=O)NCCC(C)(C)O 527a_100000707701_100000210554 [0,2,0,0,0,0|1,0,0]=3 7560 B12R0.66 CC(C)CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210554 [0,2,0,0,0,0|2,0,0]=4 7561 B12R0.66 CC(C)CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210554 [0,2,0,0,0,0|2,0,0]=4 7562 B12R0.66 CC(C)CC(=O)NCC[N+](C)(C)C 527a_100000106457_100000210554 [0,2,0,0,0,0|2,0,0]=4 7563 B12R0.66 CC(C)CC(C)OCCC(C)(C)C 34a_100000211805_100000755188 [0,2,0,0,0,0|1,0,1]=4 7564 B12R0.66 CC(C)CC(C)OCCC(C)(C)C 7a_100000211805_100000755188 [0,2,0,0,0,0|1,0,1]=4 7565 B12R0.66 CC(C)CC(C)OCCC(C)(C)C 7a_100000765024_100000731052 [0,2,0,0,0,0|1,0,1]=4 7566 B12R0.66 CC(C)CC(C)OCCC(C)(C)O 34a_100000211805_100000702414 [0,2,0,0,0,0|1,0,1]=4 7567 B12R0.66 CC(C)CC(C)OCCC(C)(C)O 7a_100000211805_100000702414 [0,2,0,0,0,0|1,0,1]=4 7568 B12R0.66 CC(C)NC(=O)NCCC(C)(C)C 2708a_100000738805_100138425928 [0,2,0,0,0,0|2,0,0]=4 7569 B12R0.66 CC(C)NC(=O)NCCC(C)(C)C 2708a_100138425928_100000738805 [0,2,0,0,0,0|2,0,0]=4 7570 B12R0.66 CC(C)NC(=O)NCCC(C)(C)C 273464a_100138425928_100000738805 [0,2,0,0,0,0|2,0,0]=4 7571 B12R0.66 CC(C)NC(=O)NCCC(C)(C)C 512a_100000738805_100138425928 [0,2,0,0,0,0|2,0,0]=4 7572 B12R0.66 CC(C)NC(=O)NCCC(C)(C)C 512a_100138425928_100000738805 [0,2,0,0,0,0|2,0,0]=4 7573 B12R0.66 CC(C)NC(=O)NCCC(C)(C)F 2708a_100016253952_100138425928 [0,2,0,0,0,0|2,0,0]=4 7574 B12R0.66 CC(C)NC(=O)NCCC(C)(C)F 2708a_100138425928_100016253952 [0,2,0,0,0,0|2,0,0]=4 7575 B12R0.66 CC(C)NC(=O)NCCC(C)(C)F 273464a_100138425928_100016253952 [0,2,0,0,0,0|2,0,0]=4 7576 B12R0.66 CC(C)NC(=O)NCCC(C)(C)F 512a_100016253952_100138425928 [0,2,0,0,0,0|2,0,0]=4 7577 B12R0.66 CC(C)NC(=O)NCCC(C)(C)F 512a_100138425928_100016253952 [0,2,0,0,0,0|2,0,0]=4 7578 B12R0.66 CC(C)NC(=O)NCCC(C)(C)O 2708a_100000707701_100138425928 [0,2,0,0,0,0|2,0,0]=4 7579 B12R0.66 CC(C)NC(=O)NCCC(C)(C)O 2708a_100138425928_100000707701 [0,2,0,0,0,0|2,0,0]=4 7580 B12R0.66 CC(C)NC(=O)NCCC(C)(C)O 273464a_100138425928_100000707701 [0,2,0,0,0,0|2,0,0]=4 7581 B12R0.66 CC(C)NC(=O)NCCC(C)(C)O 512a_100000707701_100138425928 [0,2,0,0,0,0|2,0,0]=4 7582 B12R0.66 CC(C)NC(=O)NCCC(C)(C)O 512a_100138425928_100000707701 [0,2,0,0,0,0|2,0,0]=4 7583 B12R0.66 CC(C)OC(=O)OCSC(C)(C)C 62a_100000003507_100000211941 [0,2,0,0,0,0|2,0,0]=4 7584 B12R0.66 CC(C)OC(=O)OCSC(C)(C)C 62a_100000211941_100000003507 [0,2,0,0,0,0|2,0,0]=4 7585 B12R0.66 CC(O)CC(=O)CCC[N+](C)(C)C 1458a_100000085584_100011218427 [0,2,0,0,0,0|2,0,0]=4 7586 B12R0.66 CN(C)CC(=O)NCCC(C)(C)C 11a_100000738805_100000750896 [0,2,0,0,0,0|2,0,0]=4 7587 B12R0.66 CN(C)CC(=O)NCCC(C)(C)C 240690a_100000738805_100000750896 [0,2,0,0,0,0|2,0,0]=4 7588 B12R0.66 CN(C)CC(=O)NCCC(C)(C)C 527a_100000738805_100000750896 [0,2,0,0,0,0|2,0,0]=4 7589 B12R0.66 CN(C)CC(=O)NCCC(C)(C)F 11a_100016253952_100000750896 [0,2,0,0,0,0|2,0,0]=4 7590 B12R0.66 CN(C)CC(=O)NCCC(C)(C)F 240690a_100016253952_100000750896 [0,2,0,0,0,0|2,0,0]=4 7591 B12R0.66 CN(C)CC(=O)NCCC(C)(C)F 527a_100016253952_100000750896 [0,2,0,0,0,0|2,0,0]=4 7592 B12R0.66 CN(C)CC(=O)NCCC(C)(C)O 527a_100000707701_100000750896 [0,2,0,0,0,0|2,0,0]=4 7593 B12R0.66 C[C@@H](O)CC(=O)CCC[N+](C)(C)C 1458a_100011933948_100016990835 [0,2,0,0,0,0|2,0,0]=4 7594 B12R0.66 C[C@@H](O)CC(=O)CCC[Si](C)(C)C 1458a_100011933948_100011219597 [0,2,0,0,0,0|1,1,0]=4 7595 B12R0.66 C[C@@H](O)CC(=O)NCCC(C)(C)C 240690a_100000738805_100011933948 [0,2,0,0,0,0|1,0,0]=3 7596 B12R0.66 C[C@@H](O)CC(=O)NCCC(C)(C)F 240690a_100016253952_100011933948 [0,2,0,0,0,0|1,0,0]=3 7597 B12R0.66 C[C@@H](O)CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100011933948 [0,2,0,0,0,0|2,0,0]=4 7598 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 11a_100000738805_200159257847 [0,2,0,0,0,0|2,0,0]=4 7599 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 1626a_100000738805_200159257847 [0,2,0,0,0,0|2,0,0]=4 7600 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 240690a_100000738805_200159257847 [0,2,0,0,0,0|2,0,0]=4 7601 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 527a_100000738805_200159257847 [0,2,0,0,0,0|2,0,0]=4 7602 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 11a_100016253952_200159257847 [0,2,0,0,0,0|2,0,0]=4 7603 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 1626a_100016253952_200159257847 [0,2,0,0,0,0|2,0,0]=4 7604 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 240690a_100016253952_200159257847 [0,2,0,0,0,0|2,0,0]=4 7605 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 527a_100016253952_200159257847 [0,2,0,0,0,0|2,0,0]=4 7606 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)O 1626a_100000707701_200159257847 [0,2,0,0,0,0|2,0,0]=4 7607 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)O 527a_100000707701_200159257847 [0,2,0,0,0,0|2,0,0]=4 7608 B12R0.140 CC(C)CCCC(=O)CC(C)(C)C 1458a_100000211214_100011214892 [0,2,0,0,0,0|1,0,0]=3 7609 B12R0.140 CC(C)CCCC(=O)CC(C)(C)O 1458a_100000693243_100011214892 [0,2,0,0,0,0|1,0,0]=3 7610 B12R0.140 CC(C)CCCC(=O)CC(F)(F)F 1458a_100000245130_100011214892 [0,2,0,0,0,0|2,0,0]=4 7611 B12R0.140 CC(C)CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011214892 [0,2,0,0,0,0|2,0,0]=4 7612 B12R0.140 CC(C)CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100011214892 [0,2,0,0,0,0|2,0,0]=4 7613 B12R0.140 CC(C)CCCC(=O)C[Si](C)(C)C 1458a_100011216857_100000233785 [0,2,0,0,0,0|1,1,0]=4 7614 B12R0.140 CC(C)CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100011214892 [0,2,0,0,0,0|1,1,0]=4 7615 B12R0.140 CC(C)CCCC(=O)NC(C)(C)C 11a_100000715429_100011216857 [0,2,0,0,0,0|2,0,0]=4 7616 B12R0.140 CC(C)CCCC(=O)NC(C)(C)C 1626a_100000715429_100011216857 [0,2,0,0,0,0|2,0,0]=4 7617 B12R0.140 CC(C)CCCC(=O)NC(C)(C)C 240690a_100000715429_100011216857 [0,2,0,0,0,0|2,0,0]=4 7618 B12R0.140 CC(C)CCCC(=O)NC(C)(C)C 527a_100000715429_100011216857 [0,2,0,0,0,0|2,0,0]=4 7619 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 11a_100000210545_100000211214 [0,2,0,0,0,0|1,0,0]=3 7620 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 1626a_100000210545_100000211214 [0,2,0,0,0,0|1,0,0]=3 7621 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 240690a_100000210545_100000211214 [0,2,0,0,0,0|1,0,0]=3 7622 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 527a_100000210545_100000211214 [0,2,0,0,0,0|1,0,0]=3 7623 B12R0.140 CC(C)CCNC(=O)CC(C)(C)O 527a_100000210545_100000693243 [0,2,0,0,0,0|1,0,0]=3 7624 B12R0.140 CC(C)CCNC(=O)CC(F)(F)F 11a_100000210545_100000245130 [0,2,0,0,0,0|2,0,0]=4 7625 B12R0.140 CC(C)CCNC(=O)CC(F)(F)F 1626a_100000210545_100000245130 [0,2,0,0,0,0|2,0,0]=4 7626 B12R0.140 CC(C)CCNC(=O)CC(F)(F)F 527a_100000210545_100000245130 [0,2,0,0,0,0|2,0,0]=4 7627 B12R0.140 CC(C)CCNC(=O)CS(=O)(=O)C 11a_100000210545_100000744497 [0,2,0,0,0,0|2,0,0]=4 7628 B12R0.140 CC(C)CCNC(=O)CS(=O)(=O)C 240690a_100000210545_100000744497 [0,2,0,0,0,0|2,0,0]=4 7629 B12R0.140 CC(C)CCNC(=O)CS(=O)(=O)C 527a_100000210545_100000744497 [0,2,0,0,0,0|2,0,0]=4 7630 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 11a_100000210545_100000033712 [0,2,0,0,0,0|2,0,0]=4 7631 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 1626a_100000210545_100000033712 [0,2,0,0,0,0|2,0,0]=4 7632 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 240690a_100000210545_100000033712 [0,2,0,0,0,0|2,0,0]=4 7633 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 527a_100000210545_100000033712 [0,2,0,0,0,0|2,0,0]=4 7634 B12R0.140 CC(C)CCNC(=O)C[Si](C)(C)C 11a_100000210545_100011218504 [0,2,0,0,0,0|1,1,0]=4 7635 B12R0.140 CC(C)CCNC(=O)C[Si](C)(C)C 1626a_100000210545_100011218504 [0,2,0,0,0,0|1,1,0]=4 7636 B12R0.140 CC(C)CCNC(=O)NC(C)(C)C 2708a_100000210545_100000715429 [0,2,0,0,0,0|2,0,0]=4 7637 B12R0.140 CC(C)CCNC(=O)NC(C)(C)C 273464a_100000210545_100000715429 [0,2,0,0,0,0|2,0,0]=4 7638 B12R0.140 CC(C)CCNC(=O)NC(C)(C)C 273464a_100000715429_100000210545 [0,2,0,0,0,0|2,0,0]=4 7639 B12R0.140 CC(C)CCNC(=O)NC(C)(C)C 512a_100000715429_100000210545 [0,2,0,0,0,0|2,0,0]=4 7640 B12R0.140 CC(C)CCOC(C)CC(C)(C)C 7a_200011218616_100000210626 [0,2,0,0,0,0|1,0,1]=4 7641 B12R0.140 CC(C)CNNC(=O)CC(C)(C)C 22a_100000696102_100000211214 [0,2,0,0,0,0|2,0,0]=4 7642 B12R0.140 CC(C)CNNC(=O)CC(C)(C)O 22a_100000696102_100000693243 [0,2,0,0,0,0|2,0,0]=4 7643 B12R0.140 CC(C)NCOC(=O)CC(C)(C)C 2230a_100138425928_200010999194 [0,2,0,0,0,0|1,0,0]=3 7644 B12R0.140 CC(C)NCOC(=O)CC(C)(C)C 34a_100138425928_200010999194 [0,2,0,0,0,0|1,0,0]=3 7645 B12R0.140 CC(C)OCCC(=O)CC(C)(C)C 1458a_100000211214_100000211751 [0,2,0,0,0,0|2,0,0]=4 7646 B12R0.140 CC(C)OCCC(=O)CC(C)(C)O 1458a_100000693243_100000211751 [0,2,0,0,0,0|2,0,0]=4 7647 B12R0.140 CC(C)OCOC(=O)CC(C)(C)C 34a_100000212225_200010999194 [0,2,0,0,0,0|1,0,0]=3 7648 B12R0.140 CC(C)SCCC(=O)CC(C)(C)C 1458a_100000211214_100000730970 [0,2,0,0,0,0|2,0,0]=4 7649 B12R0.140 CC(C)SCCC(=O)CC(C)(C)O 1458a_100000693243_100000730970 [0,2,0,0,0,0|2,0,0]=4 7650 B12R0.140 CC(C)SCOC(=O)CC(C)(C)C 62a_100000210206_200010999194 [0,2,0,0,0,0|1,0,0]=3 7651 B12R0.140 CC(C)SCOC(=O)CC(C)(C)C 62a_200010999194_100000210206 [0,2,0,0,0,0|1,0,0]=3 7652 B12R0.140 CC(O)CCCC(=O)CC(C)(C)C 1458a_100000211214_200000718107 [0,2,0,0,0,0|2,0,0]=4 7653 B12R0.140 CC(O)CCCC(=O)CC(C)(C)O 1458a_100000693243_200000718107 [0,2,0,0,0,0|2,0,0]=4 7654 B12R0.140 CC(O)CCNC(=O)CC(C)(C)C 240690a_200000755665_100000211214 [0,2,0,0,0,0|2,0,0]=4 7655 B12R0.140 CC(O)CCNC(=O)CC(C)(C)C 527a_200000755665_100000211214 [0,2,0,0,0,0|2,0,0]=4 7656 B12R0.140 CC(O)CCNC(=O)CC(C)(C)O 527a_200000755665_100000693243 [0,2,0,0,0,0|2,0,0]=4 7657 B12R0.140 CN(C)CCCC(=O)CC(C)(C)C 1458a_100000211214_100000695564 [0,2,0,0,0,0|2,0,0]=4 7658 B12R0.140 CN(C)CCCC(=O)CC(C)(C)O 1458a_100000693243_100000695564 [0,2,0,0,0,0|2,0,0]=4 7659 B12R0.140 CN(C)CCNC(=O)CC(C)(C)C 240690a_100000210585_100000211214 [0,2,0,0,0,0|2,0,0]=4 7660 B12R0.140 CN(C)CCNC(=O)CC(C)(C)C 527a_100000210585_100000211214 [0,2,0,0,0,0|2,0,0]=4 7661 B12R0.140 CN(C)CCNC(=O)CC(C)(C)O 527a_100000210585_100000693243 [0,2,0,0,0,0|2,0,0]=4 7662 B12R0.240 C#CC(C)NC(=O)CCCC(C)C 11a_100000707721_100011216857 [0,2,0,0,0,0|2,0,0]=4 7663 B12R0.240 C#CC(C)NC(=O)CCCC(C)C 1626a_100000707721_100011216857 [0,2,0,0,0,0|2,0,0]=4 7664 B12R0.240 C#CC(C)NC(=O)CCCC(C)C 240690a_100000707721_100011216857 [0,2,0,0,0,0|2,0,0]=4 7665 B12R0.240 C#CC(C)NC(=O)CCCC(C)C 527a_100000707721_100011216857 [0,2,0,0,0,0|2,0,0]=4 7666 B12R0.240 C#CC(C)NC(=O)NCCC(C)C 2708a_100000210545_100000707721 [0,2,0,0,0,0|2,0,0]=4 7667 B12R0.240 C#CC(C)NC(=O)NCCC(C)C 2708a_100000707721_100000210545 [0,2,0,0,0,0|2,0,0]=4 7668 B12R0.240 C#CC(C)NC(=O)NCCC(C)C 273464a_100000210545_100000707721 [0,2,0,0,0,0|2,0,0]=4 7669 B12R0.240 C#CC(C)NC(=O)NCCC(C)C 273464a_100000707721_100000210545 [0,2,0,0,0,0|2,0,0]=4 7670 B12R0.240 C#CC(C)NC(=O)NCCC(C)C 512a_100000210545_100000707721 [0,2,0,0,0,0|2,0,0]=4 7671 B12R0.240 C#CC(C)NC(=O)NCCC(C)C 512a_100000707721_100000210545 [0,2,0,0,0,0|2,0,0]=4 7672 B12R0.240 C=CC(C)CC(=O)CCCC(C)C 1458a_100011934298_100011214892 [0,2,0,0,0,0|1,0,0]=3 7673 B12R0.240 C=CC(C)CC(=O)CCCC(C)O 1458a_100011934298_200000718107 [0,2,0,0,0,0|2,0,0]=4 7674 B12R0.240 C=CC(C)CC(=O)CCCN(C)C 1458a_100011934298_100000695564 [0,2,0,0,0,0|2,0,0]=4 7675 B12R0.240 C=CC(C)CC(=O)CCOC(C)C 1458a_100011934298_100000211751 [0,2,0,0,0,0|2,0,0]=4 7676 B12R0.240 C=CC(C)CC(=O)CCSC(C)C 1458a_100011934298_100000730970 [0,2,0,0,0,0|2,0,0]=4 7677 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 11a_100000210545_100011934298 [0,2,0,0,0,0|1,0,0]=3 7678 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 1626a_100000210545_100011934298 [0,2,0,0,0,0|1,0,0]=3 7679 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 240690a_100000210545_100011934298 [0,2,0,0,0,0|1,0,0]=3 7680 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 527a_100000210545_100011934298 [0,2,0,0,0,0|1,0,0]=3 7681 B12R0.240 C=CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100011934298 [0,2,0,0,0,0|2,0,0]=4 7682 B12R0.240 C=CC(C)CC(=O)NCCC(C)O 527a_200000755665_100011934298 [0,2,0,0,0,0|2,0,0]=4 7683 B12R0.240 C=CC(C)CC(=O)NCCN(C)C 240690a_100000210585_100011934298 [0,2,0,0,0,0|2,0,0]=4 7684 B12R0.240 C=CC(C)CC(=O)NCCN(C)C 527a_100000210585_100011934298 [0,2,0,0,0,0|2,0,0]=4 7685 B12R0.240 C=CC(C)CC(=O)NNCC(C)C 22a_100000696102_100011934298 [0,2,0,0,0,0|2,0,0]=4 7686 B12R0.240 CC(C)CCCC(=O)C[C@@H](C)CO 1458a_100011216857_100000059175 [0,2,0,0,0,0|1,0,0]=3 7687 B12R0.240 CC(C)CCCC(=O)NC(C)C#N 11a_100000737613_100011216857 [0,2,0,0,0,0|2,0,0]=4 7688 B12R0.240 CC(C)CCCC(=O)NC(C)C#N 1626a_100000737613_100011216857 [0,2,0,0,0,0|2,0,0]=4 7689 B12R0.240 CC(C)CCCC(=O)NC(C)C#N 527a_100000737613_100011216857 [0,2,0,0,0,0|2,0,0]=4 7690 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 11a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 7691 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 1626a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 7692 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 240690a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 7693 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 527a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 7694 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CO 240690a_100000737577_100011216857 [0,2,0,0,0,0|2,0,0]=4 7695 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CO 527a_100000737577_100011216857 [0,2,0,0,0,0|2,0,0]=4 7696 B12R0.240 CC(C)CCNC(=O)NC(C)C#N 2708a_100000210545_100000737613 [0,2,0,0,0,0|2,0,0]=4 7697 B12R0.240 CC(C)CCNC(=O)NC(C)C#N 2708a_100000737613_100000210545 [0,2,0,0,0,0|2,0,0]=4 7698 B12R0.240 CC(C)CCNC(=O)NC(C)C#N 273464a_100000210545_100000737613 [0,2,0,0,0,0|2,0,0]=4 7699 B12R0.240 CC(C)CCNC(=O)NC(C)C#N 273464a_100000737613_100000210545 [0,2,0,0,0,0|2,0,0]=4 7700 B12R0.240 CC(C)CCNC(=O)NC(C)C#N 512a_100000210545_100000737613 [0,2,0,0,0,0|2,0,0]=4 7701 B12R0.240 CC(C)CCNC(=O)NC(C)C#N 512a_100000737613_100000210545 [0,2,0,0,0,0|2,0,0]=4 7702 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CF 2708a_100000210545_100102880703 [0,2,0,0,0,0|2,0,0]=4 7703 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CF 273464a_100000210545_100102880703 [0,2,0,0,0,0|2,0,0]=4 7704 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CF 273464a_100102880703_100000210545 [0,2,0,0,0,0|2,0,0]=4 7705 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CF 512a_100000210545_100102880703 [0,2,0,0,0,0|2,0,0]=4 7706 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CF 512a_100102880703_100000210545 [0,2,0,0,0,0|2,0,0]=4 7707 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CO 2708a_100000210545_100000737577 [0,2,0,0,0,0|2,0,0]=4 7708 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CO 273464a_100000737577_100000210545 [0,2,0,0,0,0|2,0,0]=4 7709 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CO 512a_100000210545_100000737577 [0,2,0,0,0,0|2,0,0]=4 7710 B12R0.240 CC(C)CCNC(=O)N[C@H](C)CO 512a_100000737577_100000210545 [0,2,0,0,0,0|2,0,0]=4 7711 B12R0.240 CC(C)COCC(=O)C[C@@H](C)CO 1458a_100011223364_100000059175 [0,2,0,0,0,0|2,0,0]=4 7712 B12R0.240 CCC(=CC(=O)CCCC(C)C)C 1458a_100020758463_100011214892 [0,2,0,0,0,0|1,0,1]=4 7713 B12R0.240 CCC(=CC(=O)NCCC(C)C)C 11a_100000210545_100020758463 [0,2,0,0,0,0|1,0,1]=4 7714 B12R0.240 CCC(=CC(=O)NCCC(C)C)C 1626a_100000210545_100020758463 [0,2,0,0,0,0|1,0,1]=4 7715 B12R0.240 CCC(=CC(=O)NCCC(C)C)C 240690a_100000210545_100020758463 [0,2,0,0,0,0|1,0,1]=4 7716 B12R0.240 CCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747405 [0,2,0,0,0,0|1,0,0]=3 7717 B12R0.240 CCC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747405 [0,2,0,0,0,0|2,0,0]=4 7718 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100000708755_100011214892 [0,2,0,0,0,0|1,0,0]=3 7719 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748023 [0,2,0,0,0,0|1,0,0]=3 7720 B12R0.240 CCC(C)CC(=O)CCCC(C)O 1458a_100000708755_200000718107 [0,2,0,0,0,0|2,0,0]=4 7721 B12R0.240 CCC(C)CC(=O)CCCN(C)C 1458a_100000708755_100000695564 [0,2,0,0,0,0|2,0,0]=4 7722 B12R0.240 CCC(C)CC(=O)CCOC(C)C 1458a_100000708755_100000211751 [0,2,0,0,0,0|2,0,0]=4 7723 B12R0.240 CCC(C)CC(=O)CCSC(C)C 1458a_100000708755_100000730970 [0,2,0,0,0,0|2,0,0]=4 7724 B12R0.240 CCC(C)CC(=O)COCC(C)C 1458a_100011223364_100000748023 [0,2,0,0,0,0|2,0,0]=4 7725 B12R0.240 CCC(C)CC(=O)NCCC(C)C 11a_100000210545_100000708755 [0,2,0,0,0,0|1,0,0]=3 7726 B12R0.240 CCC(C)CC(=O)NCCC(C)C 1626a_100000210545_100000708755 [0,2,0,0,0,0|1,0,0]=3 7727 B12R0.240 CCC(C)CC(=O)NCCC(C)C 240690a_100000210545_100000708755 [0,2,0,0,0,0|1,0,0]=3 7728 B12R0.240 CCC(C)CC(=O)NCCC(C)C 527a_100000210545_100000708755 [0,2,0,0,0,0|1,0,0]=3 7729 B12R0.240 CCC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000708755 [0,2,0,0,0,0|2,0,0]=4 7730 B12R0.240 CCC(C)CC(=O)NCCC(C)O 527a_200000755665_100000708755 [0,2,0,0,0,0|2,0,0]=4 7731 B12R0.240 CCC(C)CC(=O)NCCN(C)C 240690a_100000210585_100000708755 [0,2,0,0,0,0|2,0,0]=4 7732 B12R0.240 CCC(C)CC(=O)NCCN(C)C 527a_100000210585_100000708755 [0,2,0,0,0,0|2,0,0]=4 7733 B12R0.240 CCC(C)CC(=O)NNCC(C)C 22a_100000696102_100000708755 [0,2,0,0,0,0|2,0,0]=4 7734 B12R0.240 CCC(C)NC(=O)CCCC(C)C 11a_100000209981_100011216857 [0,2,0,0,0,0|1,0,0]=3 7735 B12R0.240 CCC(C)NC(=O)CCCC(C)C 1626a_100000209981_100011216857 [0,2,0,0,0,0|1,0,0]=3 7736 B12R0.240 CCC(C)NC(=O)CCCC(C)C 240690a_100000209981_100011216857 [0,2,0,0,0,0|1,0,0]=3 7737 B12R0.240 CCC(C)NC(=O)CCCC(C)C 527a_100000209981_100011216857 [0,2,0,0,0,0|1,0,0]=3 7738 B12R0.240 CCC(C)NC(=O)CCCC(C)O 1626a_100000209981_100000761597 [0,2,0,0,0,0|2,0,0]=4 7739 B12R0.240 CCC(C)NC(=O)CCCC(C)O 527a_100000209981_100000761597 [0,2,0,0,0,0|2,0,0]=4 7740 B12R0.240 CCC(C)NC(=O)CCCN(C)C 11a_100000209981_100000740757 [0,2,0,0,0,0|2,0,0]=4 7741 B12R0.240 CCC(C)NC(=O)CCCN(C)C 240690a_100000209981_100000740757 [0,2,0,0,0,0|2,0,0]=4 7742 B12R0.240 CCC(C)NC(=O)CNCC(C)C 2230a_100000210953_100000182745 [0,2,0,0,0,0|2,0,0]=4 7743 B12R0.240 CCC(C)NC(=O)CNCC(C)C 34a_100000210953_100000182745 [0,2,0,0,0,0|2,0,0]=4 7744 B12R0.240 CCC(C)NC(=O)COCC(C)C 11a_100000209981_100011223364 [0,2,0,0,0,0|2,0,0]=4 7745 B12R0.240 CCC(C)NC(=O)COCC(C)C 1626a_100000209981_100011223364 [0,2,0,0,0,0|2,0,0]=4 7746 B12R0.240 CCC(C)NC(=O)COCC(C)C 240690a_100000209981_100011223364 [0,2,0,0,0,0|2,0,0]=4 7747 B12R0.240 CCC(C)NC(=O)COCC(C)C 34a_100000210257_100000182745 [0,2,0,0,0,0|2,0,0]=4 7748 B12R0.240 CCC(C)NC(=O)COCC(C)C 527a_100000209981_100011223364 [0,2,0,0,0,0|2,0,0]=4 7749 B12R0.240 CCC(C)NC(=O)CSCC(C)C 62a_100000182745_100000210760 [0,2,0,0,0,0|2,0,0]=4 7750 B12R0.240 CCC(C)NC(=O)CSCC(C)C 62a_100000210624_100000182745 [0,2,0,0,0,0|2,0,0]=4 7751 B12R0.240 CCC(C)NC(=O)NCCC(C)C 2708a_100000209981_100000210545 [0,2,0,0,0,0|1,0,0]=3 7752 B12R0.240 CCC(C)NC(=O)NCCC(C)C 2708a_100000210545_100000209981 [0,2,0,0,0,0|1,0,0]=3 7753 B12R0.240 CCC(C)NC(=O)NCCC(C)C 273464a_100000209981_100000210545 [0,2,0,0,0,0|1,0,0]=3 7754 B12R0.240 CCC(C)NC(=O)NCCC(C)C 273464a_100000210545_100000209981 [0,2,0,0,0,0|1,0,0]=3 7755 B12R0.240 CCC(C)NC(=O)NCCC(C)C 512a_100000209981_100000210545 [0,2,0,0,0,0|1,0,0]=3 7756 B12R0.240 CCC(C)NC(=O)NCCC(C)C 512a_100000210545_100000209981 [0,2,0,0,0,0|1,0,0]=3 7757 B12R0.240 CCC(C)NC(=O)NCCC(C)O 2708a_100000209981_200000755665 [0,2,0,0,0,0|2,0,0]=4 7758 B12R0.240 CCC(C)NC(=O)NCCC(C)O 273464a_200000755665_100000209981 [0,2,0,0,0,0|2,0,0]=4 7759 B12R0.240 CCC(C)NC(=O)NCCC(C)O 512a_100000209981_200000755665 [0,2,0,0,0,0|2,0,0]=4 7760 B12R0.240 CCC(C)NC(=O)NCCC(C)O 512a_200000755665_100000209981 [0,2,0,0,0,0|2,0,0]=4 7761 B12R0.240 CCC(C)NC(=O)NCCN(C)C 2708a_100000209981_100000210585 [0,2,0,0,0,0|2,0,0]=4 7762 B12R0.240 CCC(C)NC(=O)NCCN(C)C 273464a_100000209981_100000210585 [0,2,0,0,0,0|2,0,0]=4 7763 B12R0.240 CCC(C)NC(=O)NCCN(C)C 273464a_100000210585_100000209981 [0,2,0,0,0,0|2,0,0]=4 7764 B12R0.240 CCC(C)NC(=O)NCCN(C)C 512a_100000209981_100000210585 [0,2,0,0,0,0|2,0,0]=4 7765 B12R0.240 CCC(C)NC(=O)NNCC(C)C 273464a_100000209981_100000696102 [0,2,0,0,0,0|2,0,0]=4 7766 B12R0.240 CCC(C)NC(=O)NNCC(C)C 512a_100000209981_100000696102 [0,2,0,0,0,0|2,0,0]=4 7767 B12R0.240 CCC(C)NC(=O)NNCC(C)C 512a_100000696102_100000209981 [0,2,0,0,0,0|2,0,0]=4 7768 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011216857_100011218378 [0,2,0,0,0,0|1,0,0]=3 7769 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011667805_100011214892 [0,2,0,0,0,0|1,0,0]=3 7770 B12R0.240 CCC(O)CC(=O)CCCC(C)O 1458a_100011667805_200000718107 [0,2,0,0,0,0|2,0,0]=4 7771 B12R0.240 CCC(O)CC(=O)CCCN(C)C 1458a_100011667805_100000695564 [0,2,0,0,0,0|2,0,0]=4 7772 B12R0.240 CCC(O)CC(=O)CCOC(C)C 1458a_100011667805_100000211751 [0,2,0,0,0,0|2,0,0]=4 7773 B12R0.240 CCC(O)CC(=O)CCSC(C)C 1458a_100011667805_100000730970 [0,2,0,0,0,0|2,0,0]=4 7774 B12R0.240 CCC(O)CC(=O)COCC(C)C 1458a_100011223364_100011218378 [0,2,0,0,0,0|2,0,0]=4 7775 B12R0.240 CCC(O)CC(=O)NCCC(C)C 1626a_100000210545_100011667805 [0,2,0,0,0,0|1,0,0]=3 7776 B12R0.240 CCC(O)CC(=O)NCCC(C)C 240690a_100000210545_100011667805 [0,2,0,0,0,0|1,0,0]=3 7777 B12R0.240 CCC(O)CC(=O)NCCC(C)O 240690a_200000755665_100011667805 [0,2,0,0,0,0|2,0,0]=4 7778 B12R0.240 CCC(O)CC(=O)NCCN(C)C 240690a_100000210585_100011667805 [0,2,0,0,0,0|2,0,0]=4 7779 B12R0.240 CCC(O)CC(=O)NNCC(C)C 22a_100000696102_100011667805 [0,2,0,0,0,0|2,0,0]=4 7780 B12R0.240 CCN(C)CC(=O)CCCC(C)C 1458a_100116209913_100011214892 [0,2,0,0,0,0|1,0,0]=3 7781 B12R0.240 CCN(C)CC(=O)CCCC(C)O 1458a_100116209913_200000718107 [0,2,0,0,0,0|2,0,0]=4 7782 B12R0.240 CCN(C)CC(=O)CCCN(C)C 1458a_100116209913_100000695564 [0,2,0,0,0,0|2,0,0]=4 7783 B12R0.240 CCN(C)CC(=O)CCOC(C)C 1458a_100116209913_100000211751 [0,2,0,0,0,0|2,0,0]=4 7784 B12R0.240 CCN(C)CC(=O)CCSC(C)C 1458a_100116209913_100000730970 [0,2,0,0,0,0|2,0,0]=4 7785 B12R0.240 CCN(C)CC(=O)NCCC(C)C 240690a_100000210545_100116209913 [0,2,0,0,0,0|1,0,0]=3 7786 B12R0.240 CCN(C)CC(=O)NCCC(C)C 527a_100000210545_100116209913 [0,2,0,0,0,0|1,0,0]=3 7787 B12R0.240 CCN(C)CC(=O)NCCC(C)O 240690a_200000755665_100116209913 [0,2,0,0,0,0|2,0,0]=4 7788 B12R0.240 CCN(C)CC(=O)NCCC(C)O 527a_200000755665_100116209913 [0,2,0,0,0,0|2,0,0]=4 7789 B12R0.240 CCN(C)CC(=O)NCCN(C)C 240690a_100000210585_100116209913 [0,2,0,0,0,0|2,0,0]=4 7790 B12R0.240 CCN(C)CC(=O)NCCN(C)C 527a_100000210585_100116209913 [0,2,0,0,0,0|2,0,0]=4 7791 B12R0.240 CCN(C)CC(=O)NNCC(C)C 22a_100000696102_100116209913 [0,2,0,0,0,0|2,0,0]=4 7792 B12R0.240 CC[C@H](C)CC(=O)CCCC(C)C 1458a_100011216857_100009816398 [0,2,0,0,0,0|1,0,0]=3 7793 B12R0.240 CC[C@H](C)CC(=O)COCC(C)C 1458a_100011223364_100009816398 [0,2,0,0,0,0|2,0,0]=4 7794 B12R0.240 CNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183359 [0,2,0,0,0,0|1,0,1]=4 7795 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100000211351_100011214892 [0,2,0,0,0,0|1,0,1]=4 7796 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747449 [0,2,0,0,0,0|1,0,1]=4 7797 B12R0.240 COC(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000211351 [0,2,0,0,0,0|1,0,1]=4 7798 B12R0.241 CC(C)CC(=O)NCCC(C)CO 240690a_106354213184_100000210554 [0,2,0,0,0,0|1,0,0]=3 7799 B12R0.241 CC(C)CC(=O)NCCC(C)CO 527a_106354213184_100000210554 [0,2,0,0,0,0|1,0,0]=3 7800 B12R0.241 CC(C)OC(=O)OCSC(C)CO 62a_100012180447_100000003507 [0,2,0,0,0,0|2,0,0]=4 7801 B12R0.241 CC(C)OC(=O)OCS[C@H](C)CO 62a_100000003507_100016084084 [0,2,0,0,0,0|2,0,0]=4 7802 B12R0.241 CC(C)OC(=O)OCS[C@H](C)CO 62a_100016084084_100000003507 [0,2,0,0,0,0|2,0,0]=4 7803 B12R0.241 CC(CO)CCNC(=O)CN(C)C 240690a_106354213184_100000750896 [0,2,0,0,0,0|2,0,0]=4 7804 B12R0.241 CC(CO)CCNC(=O)CN(C)C 527a_106354213184_100000750896 [0,2,0,0,0,0|2,0,0]=4 7805 B12R0.241 CC(CO)CCNC(=O)C[C@@H](C)O 240690a_106354213184_100011933948 [0,2,0,0,0,0|1,0,0]=3 7806 B12R0.241 CC(CO)CCNC(=O)C[S+](C)C 240690a_106354213184_200159257847 [0,2,0,0,0,0|2,0,0]=4 7807 B12R0.241 CC(CO)CCNC(=O)C[S+](C)C 527a_106354213184_200159257847 [0,2,0,0,0,0|2,0,0]=4 7808 B12R0.241 CC(CO)CCNC(=O)NC(C)C 2708a_100138425928_106354213184 [0,2,0,0,0,0|2,0,0]=4 7809 B12R0.241 CC(CO)CCNC(=O)NC(C)C 273464a_100138425928_106354213184 [0,2,0,0,0,0|2,0,0]=4 7810 B12R0.241 CC(CO)CCNC(=O)NC(C)C 512a_100138425928_106354213184 [0,2,0,0,0,0|2,0,0]=4 7811 B12R0.241 CC(CO)CCNC(=O)NC(C)C 512a_106354213184_100138425928 [0,2,0,0,0,0|2,0,0]=4 7812 B12R0.241 CCC(C)CCNC(=O)CC(C)C 11a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 7813 B12R0.241 CCC(C)CCNC(=O)CC(C)C 1626a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 7814 B12R0.241 CCC(C)CCNC(=O)CC(C)C 240690a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 7815 B12R0.241 CCC(C)CCNC(=O)CC(C)C 527a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 7816 B12R0.241 CCC(C)CCNC(=O)CN(C)C 11a_100020591266_100000750896 [0,2,0,0,0,0|2,0,0]=4 7817 B12R0.241 CCC(C)CCNC(=O)CN(C)C 240690a_100020591266_100000750896 [0,2,0,0,0,0|2,0,0]=4 7818 B12R0.241 CCC(C)CCNC(=O)CN(C)C 527a_100020591266_100000750896 [0,2,0,0,0,0|2,0,0]=4 7819 B12R0.241 CCC(C)CCNC(=O)C[C@@H](C)O 240690a_100020591266_100011933948 [0,2,0,0,0,0|1,0,0]=3 7820 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 11a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 7821 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 1626a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 7822 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 240690a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 7823 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 527a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 7824 B12R0.241 CCC(C)CCNC(=O)NC(C)C 2708a_100020591266_100138425928 [0,2,0,0,0,0|2,0,0]=4 7825 B12R0.241 CCC(C)CCNC(=O)NC(C)C 2708a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 7826 B12R0.241 CCC(C)CCNC(=O)NC(C)C 273464a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 7827 B12R0.241 CCC(C)CCNC(=O)NC(C)C 512a_100020591266_100138425928 [0,2,0,0,0,0|2,0,0]=4 7828 B12R0.241 CCC(C)CCNC(=O)NC(C)C 512a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 7829 B12R0.241 CCC(C)CCOC(C)CC(C)C 7a_100011215188_100000731052 [0,2,0,0,0,0|1,0,1]=4 7830 B12R0.241 CCC(C)SCOC(=O)OC(C)C 62a_100000003507_100000758301 [0,2,0,0,0,0|2,0,0]=4 7831 B12R0.241 CCC(C)SCOC(=O)OC(C)C 62a_100000758301_100000003507 [0,2,0,0,0,0|2,0,0]=4 7832 B12R0.241 CCN(C)CCCC(=O)CC(C)C 1458a_100000210554_100015186262 [0,2,0,0,0,0|2,0,0]=4 7833 B12R0.241 CCN(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100015186262 [0,2,0,0,0,0|2,0,0]=4 7834 B12R0.241 CCN(C)CCOC(=O)CC(=O)C 269982a_100000225621_100000102702 [0,2,0,0,0,0|1,0,1]=4 7835 B12R0.241 COC(C)CCOC(C)CC(C)C 7a_100000764861_100000731052 [0,2,0,0,0,0|1,0,1]=4 7836 B12R0.241 COC(C)SCOC(=O)OC(C)C 62a_100000003507_100009879195 [0,2,0,0,0,0|2,0,0]=4 7837 B12R0.241 COC(C)SCOC(=O)OC(C)C 62a_100009879195_100000003507 [0,2,0,0,0,0|2,0,0]=4 7838 B12R0.258 CC(C)CC(=O)N(C)CCN(C)C 240690a_100000225618_100000210554 [0,2,0,0,0,0|2,0,0]=4 7839 B12R0.258 CC(C)CC(=O)N(C)CCN(C)C 527a_100000225618_100000210554 [0,2,0,0,0,0|2,0,0]=4 7840 B12R0.258 CC(C)CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210312 [0,2,0,0,0,0|2,0,0]=4 7841 B12R0.258 CC(C)CCC(C)C(=O)CC(C)C 1458a_100000210554_100011261404 [0,2,0,0,0,0|1,0,0]=3 7842 B12R0.258 CC(C)CCC(C)C(=O)CN(C)C 1458a_100000750896_100011261404 [0,2,0,0,0,0|2,0,0]=4 7843 B12R0.258 CC(C)CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100011261404 [0,2,0,0,0,0|1,0,0]=3 7844 B12R0.258 CC(C)CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100011261404 [0,2,0,0,0,0|2,0,0]=4 7845 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 11a_100000742789_100000210554 [0,2,0,0,0,0|1,0,0]=3 7846 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 1626a_100000742789_100000210554 [0,2,0,0,0,0|1,0,0]=3 7847 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 240690a_100000742789_100000210554 [0,2,0,0,0,0|1,0,0]=3 7848 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 527a_100000742789_100000210554 [0,2,0,0,0,0|1,0,0]=3 7849 B12R0.258 CC(C)CCN(C)C(=O)CN(C)C 11a_100000742789_100000750896 [0,2,0,0,0,0|2,0,0]=4 7850 B12R0.258 CC(C)CCN(C)C(=O)CN(C)C 240690a_100000742789_100000750896 [0,2,0,0,0,0|2,0,0]=4 7851 B12R0.258 CC(C)CCN(C)C(=O)CN(C)C 527a_100000742789_100000750896 [0,2,0,0,0,0|2,0,0]=4 7852 B12R0.258 CC(C)CCN(C)C(=O)C[C@@H](C)O 240690a_100000742789_100011933948 [0,2,0,0,0,0|1,0,0]=3 7853 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 11a_100000742789_200159257847 [0,2,0,0,0,0|2,0,0]=4 7854 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 1626a_100000742789_200159257847 [0,2,0,0,0,0|2,0,0]=4 7855 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 240690a_100000742789_200159257847 [0,2,0,0,0,0|2,0,0]=4 7856 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 527a_100000742789_200159257847 [0,2,0,0,0,0|2,0,0]=4 7857 B12R0.258 CC(C)CCN(C)C(=O)NC(C)C 2708a_100138425928_100000742789 [0,2,0,0,0,0|2,0,0]=4 7858 B12R0.258 CC(C)CCN(C)C(=O)NC(C)C 273464a_100138425928_100000742789 [0,2,0,0,0,0|2,0,0]=4 7859 B12R0.258 CC(C)CNC(=O)C(=O)CC(C)C 1458a_200011297155_100000210624 [0,2,0,0,0,0|2,0,0]=4 7860 B12R0.258 CC(C)CNC(=O)C(=O)CC(C)O 1458a_200011297155_100011218427 [0,2,0,0,0,0|2,0,0]=4 7861 B12R0.258 C[C@@H](O)CC(=O)N(C)CCN(C)C 240690a_100000225618_100011933948 [0,2,0,0,0,0|2,0,0]=4 7862 B12R0.535 C#CC(CC(C)C)OCCC(C)C 34a_100011215986_100000210312 [0,2,0,0,0,0|1,0,1]=4 7863 B12R0.535 C#CC(CC(C)C)OCCC(C)C 7a_100011215986_100000210626 [0,2,0,0,0,0|1,0,1]=4 7864 B12R0.535 C=CC(CC(C)C)OCCC(C)C 34a_100012186643_100000210312 [0,2,0,0,0,0|1,0,1]=4 7865 B12R0.535 C=CC(CC(C)C)OCCC(C)C 7a_100012186643_100000210626 [0,2,0,0,0,0|1,0,1]=4 7866 B12R0.535 CC(C)CCOC(C#N)CC(C)C 34a_200011294978_100000210312 [0,2,0,0,0,0|1,0,1]=4 7867 B12R0.535 CC(C)CCOC(C#N)CC(C)C 7a_200011294978_100000210626 [0,2,0,0,0,0|1,0,1]=4 7868 B12R0.686 CC(=O)C(C)C(=O)CCCC(C)C 1458a_100011216857_100000179758 [0,2,0,0,0,0|1,0,1]=4 7869 B12R0.686 CC(=O)C(C)C(=O)NCCC(C)C 1458a_100000070787_100000735922 [0,2,0,0,0,0|1,0,1]=4 7870 B12R0.686 CC(C)C(C)C(=O)CCCN(C)C 1458a_100000755409_100000695564 [0,2,0,0,0,0|2,0,0]=4 7871 B12R0.686 CC(C)C(C)C(=O)NCCN(C)C 240690a_100000210585_100000755409 [0,2,0,0,0,0|2,0,0]=4 7872 B12R0.686 CC(C)C(C)C(=O)NCCN(C)C 527a_100000210585_100000755409 [0,2,0,0,0,0|2,0,0]=4 7873 B12R0.686 CC(C)CCCC(=O)C(C)C(C)C 1458a_100000755409_100011214892 [0,2,0,0,0,0|1,0,0]=3 7874 B12R0.686 CC(C)CCCC(=O)N(C)C(C)C 11a_200000211004_100011216857 [0,2,0,0,0,0|2,0,0]=4 7875 B12R0.686 CC(C)CCCC(=O)N(C)C(C)C 1626a_200000211004_100011216857 [0,2,0,0,0,0|2,0,0]=4 7876 B12R0.686 CC(C)CCCC(=O)N(C)C(C)C 240690a_200000211004_100011216857 [0,2,0,0,0,0|2,0,0]=4 7877 B12R0.686 CC(C)CCCC(=O)N(C)C(C)C 527a_200000211004_100011216857 [0,2,0,0,0,0|2,0,0]=4 7878 B12R0.686 CC(C)CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100011214892 [0,2,0,0,0,0|2,0,0]=4 7879 B12R0.686 CC(C)CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011214892 [0,2,0,0,0,0|1,0,0]=3 7880 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 11a_100000210545_100000755409 [0,2,0,0,0,0|1,0,0]=3 7881 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 1626a_100000210545_100000755409 [0,2,0,0,0,0|1,0,0]=3 7882 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 240690a_100000210545_100000755409 [0,2,0,0,0,0|1,0,0]=3 7883 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 527a_100000210545_100000755409 [0,2,0,0,0,0|1,0,0]=3 7884 B12R0.686 CC(C)CCNC(=O)C(C)N(C)C 2230a_100102631434_100000735922 [0,2,0,0,0,0|2,0,0]=4 7885 B12R0.686 CC(C)CCNC(=O)C(C)N(C)C 269982a_100102631434_100000735922 [0,2,0,0,0,0|2,0,0]=4 7886 B12R0.686 CC(C)CCNC(=O)N(C)C(C)C 2708a_100000210545_200000211004 [0,2,0,0,0,0|2,0,0]=4 7887 B12R0.686 CC(C)CCNC(=O)N(C)C(C)C 273464a_100000210545_200000211004 [0,2,0,0,0,0|2,0,0]=4 7888 B12R0.686 CC(C)CCNC(=O)[C@H](C)N(C)C 240690a_100000210545_100009822176 [0,2,0,0,0,0|2,0,0]=4 7889 B12R0.686 CC(C)CCNC(=O)[C@H](C)N(C)C 527a_100000210545_100009822176 [0,2,0,0,0,0|2,0,0]=4 7890 B12R0.686 CC(C)CCNC(=O)[C@H](O)C(C)C 240690a_100000210545_100000691806 [0,2,0,0,0,0|1,0,0]=3 7891 B12R0.686 CC(C)CNNC(=O)C(C)C(C)C 22a_100000696102_100000755409 [0,2,0,0,0,0|2,0,0]=4 7892 B12R0.686 CC(C)CNNC(=O)[C@H](O)C(C)C 22a_100000696102_100000691806 [0,2,0,0,0,0|2,0,0]=4 7893 B12R0.686 CC(C)OCCC(=O)C(C)C(C)C 1458a_100000755409_100000211751 [0,2,0,0,0,0|2,0,0]=4 7894 B12R0.686 CC(C)OCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000211751 [0,2,0,0,0,0|2,0,0]=4 7895 B12R0.686 CC(C)SCCC(=O)C(C)C(C)C 1458a_100000755409_100000730970 [0,2,0,0,0,0|2,0,0]=4 7896 B12R0.686 CC(C)SCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000730970 [0,2,0,0,0,0|2,0,0]=4 7897 B12R0.686 CC(C)[C@@H](O)C(=O)CCCN(C)C 1458a_100000691806_100000695564 [0,2,0,0,0,0|2,0,0]=4 7898 B12R0.686 CC(C)[C@@H](O)C(=O)NCCN(C)C 240690a_100000210585_100000691806 [0,2,0,0,0,0|2,0,0]=4 7899 B12R0.686 CC(O)CCCC(=O)C(C)C(C)C 1458a_100000755409_200000718107 [0,2,0,0,0,0|2,0,0]=4 7900 B12R0.686 CC(O)CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_200000718107 [0,2,0,0,0,0|2,0,0]=4 7901 B12R0.686 CC(O)CCNC(=O)C(C)C(C)C 240690a_200000755665_100000755409 [0,2,0,0,0,0|2,0,0]=4 7902 B12R0.686 CC(O)CCNC(=O)C(C)C(C)C 527a_200000755665_100000755409 [0,2,0,0,0,0|2,0,0]=4 7903 B12R0.686 CC(O)CCNC(=O)[C@H](O)C(C)C 240690a_200000755665_100000691806 [0,2,0,0,0,0|2,0,0]=4 7904 B12R0.687 CC(C)C(O)CNC(=O)CN(C)C 11a_100000759067_100000750896 [0,2,0,0,0,0|2,0,0]=4 7905 B12R0.687 CC(C)C(O)CNC(=O)CN(C)C 240690a_100000759067_100000750896 [0,2,0,0,0,0|2,0,0]=4 7906 B12R0.687 CC(C)C(O)CNC(=O)CN(C)C 527a_100000759067_100000750896 [0,2,0,0,0,0|2,0,0]=4 7907 B12R0.687 CC(C)C(O)CNC(=O)C[C@@H](C)O 240690a_100000759067_100011933948 [0,2,0,0,0,0|1,0,0]=3 7908 B12R0.687 CC(C)C(O)CNC(=O)C[S+](C)C 11a_100000759067_200159257847 [0,2,0,0,0,0|2,0,0]=4 7909 B12R0.687 CC(C)C(O)CNC(=O)C[S+](C)C 240690a_100000759067_200159257847 [0,2,0,0,0,0|2,0,0]=4 7910 B12R0.687 CC(C)C(O)CNC(=O)C[S+](C)C 527a_100000759067_200159257847 [0,2,0,0,0,0|2,0,0]=4 7911 B12R0.687 CC(C)CC(=O)CCN(C)C(C)C 1458a_100015184040_100000210624 [0,2,0,0,0,0|2,0,0]=4 7912 B12R0.687 CC(C)CC(=O)NCC(=O)C(C)C 1458a_100000194594_100000210206 [0,2,0,0,0,0|1,0,1]=4 7913 B12R0.687 CC(C)CC(=O)NCC(O)C(C)C 11a_100000759067_100000210554 [0,2,0,0,0,0|1,0,0]=3 7914 B12R0.687 CC(C)CC(=O)NCC(O)C(C)C 240690a_100000759067_100000210554 [0,2,0,0,0,0|1,0,0]=3 7915 B12R0.687 CC(C)CC(=O)NCC(O)C(C)C 527a_100000759067_100000210554 [0,2,0,0,0,0|1,0,0]=3 7916 B12R0.687 CC(C)CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000731052 [0,2,0,0,0,0|1,0,1]=4 7917 B12R0.687 CC(C)NC(=O)NCC(O)C(C)C 2708a_100138425928_100000759067 [0,2,0,0,0,0|2,0,0]=4 7918 B12R0.687 CC(C)NC(=O)NCC(O)C(C)C 273464a_100138425928_100000759067 [0,2,0,0,0,0|2,0,0]=4 7919 B12R0.687 CC(C)NC(=O)NCC(O)C(C)C 512a_100000759067_100138425928 [0,2,0,0,0,0|2,0,0]=4 7920 B12R0.687 CC(C)NC(=O)NCC(O)C(C)C 512a_100138425928_100000759067 [0,2,0,0,0,0|2,0,0]=4 7921 B12R0.687 CC(C)OC(=O)OCC(=O)C(C)C 1458a_100000210198_100000003507 [0,2,0,0,0,0|1,0,1]=4 7922 B12R0.687 CC(C)OC(=O)OCN(C)C(C)C 269982a_200000211004_100010125566 [0,2,0,0,0,0|2,0,0]=4 7923 B12R0.687 CC(O)CC(=O)CCN(C)C(C)C 1458a_100015184040_100011218427 [0,2,0,0,0,0|2,0,0]=4 7924 B12R0.697 CC(C)CCNS(=O)(=O)CC(C)C 270084a_100000210545_100000748289 [0,2,0,0,0,0|2,0,0]=4 7925 B12R0.697 CC(C)CCNS(=O)(=O)CC(C)C 274078a_100000210545_100000748289 [0,2,0,0,0,0|2,0,0]=4 7926 B12R0.164 C/C=C/C(CCC)OCCC(C)C 34a_200016264281_100000210312 [0,2,0,0,0,0|1,0,1]=4 7927 B12R0.164 C/C=C/C(CCC)OCCC(C)C 7a_200016264281_100000210626 [0,2,0,0,0,0|1,0,1]=4 7928 B12R0.164 C=CCC(CCC)OCCC(C)C 34a_100011215139_100000210312 [0,2,0,0,0,0|1,0,1]=4 7929 B12R0.164 C=CCC(CCC)OCCC(C)C 7a_100011215139_100000210626 [0,2,0,0,0,0|1,0,1]=4 7930 B12R0.164 CCCC(CCC)OCCC(C)C 34a_100000210254_200011218217 [0,2,0,0,0,0|1,0,1]=4 7931 B12R0.164 CCCC(CCC)OCCC(C)C 34a_200011218534_100000210312 [0,2,0,0,0,0|1,0,1]=4 7932 B12R0.164 CCCC(CCC)OCCC(C)C 7a_100000210254_200011218217 [0,2,0,0,0,0|1,0,1]=4 7933 B12R0.164 CCCC(CCC)OCCC(C)C 7a_200011218534_100000210626 [0,2,0,0,0,0|1,0,1]=4 7934 B12R0.229 CCCC(CC)OCCC(C)CC 7a_100011215188_100011219200 [0,2,0,0,0,0|1,0,1]=4 7935 B12R0.229 CCCC(CC)OCCC(C)OC 7a_100000764861_100011219200 [0,2,0,0,0,0|1,0,1]=4 7936 B12R0.230 C#CC(CCC)OCCC(C)(C)C 34a_200011217317_100000755188 [0,2,0,0,0,0|1,0,1]=4 7937 B12R0.230 C#CC(CCC)OCCC(C)(C)C 7a_200011217317_100000755188 [0,2,0,0,0,0|1,0,1]=4 7938 B12R0.230 C#CC(CCC)OCCC(C)(C)O 34a_200011217317_100000702414 [0,2,0,0,0,0|1,0,1]=4 7939 B12R0.230 C#CC(CCC)OCCC(C)(C)O 7a_200011217317_100000702414 [0,2,0,0,0,0|1,0,1]=4 7940 B12R0.230 C=CC(CCC)OCCC(C)(C)C 34a_100011216692_100000755188 [0,2,0,0,0,0|1,0,1]=4 7941 B12R0.230 C=CC(CCC)OCCC(C)(C)C 7a_100011216692_100000755188 [0,2,0,0,0,0|1,0,1]=4 7942 B12R0.230 C=CC(CCC)OCCC(C)(C)O 34a_100011216692_100000702414 [0,2,0,0,0,0|1,0,1]=4 7943 B12R0.230 C=CC(CCC)OCCC(C)(C)O 7a_100011216692_100000702414 [0,2,0,0,0,0|1,0,1]=4 7944 B12R0.230 CCCC(C#N)OCCC(C)(C)C 34a_100000686963_100000755188 [0,2,0,0,0,0|1,0,1]=4 7945 B12R0.230 CCCC(C#N)OCCC(C)(C)C 7a_100000686963_100000755188 [0,2,0,0,0,0|1,0,1]=4 7946 B12R0.230 CCCC(C#N)OCCC(C)(C)O 34a_100000686963_100000702414 [0,2,0,0,0,0|1,0,1]=4 7947 B12R0.230 CCCC(C#N)OCCC(C)(C)O 7a_100000686963_100000702414 [0,2,0,0,0,0|1,0,1]=4 7948 B12R0.230 CCCC(CC)OCCC(C)(C)C 34a_100000687864_100000755188 [0,2,0,0,0,0|1,0,1]=4 7949 B12R0.230 CCCC(CC)OCCC(C)(C)C 7a_100000687864_100000755188 [0,2,0,0,0,0|1,0,1]=4 7950 B12R0.230 CCCC(CC)OCCC(C)(C)C 7a_100000765024_100011219200 [0,2,0,0,0,0|1,0,1]=4 7951 B12R0.230 CCCC(CC)OCCC(C)(C)O 34a_100000687864_100000702414 [0,2,0,0,0,0|1,0,1]=4 7952 B12R0.230 CCCC(CC)OCCC(C)(C)O 7a_100000687864_100000702414 [0,2,0,0,0,0|1,0,1]=4 7953 B12R0.254 C#CC(CCCC)OCCC(C)C 34a_200011217967_100000210312 [0,2,0,0,0,0|1,0,1]=4 7954 B12R0.254 C#CC(CCCC)OCCC(C)C 7a_200011217967_100000210626 [0,2,0,0,0,0|1,0,1]=4 7955 B12R0.254 C=CC(CCCC)OCCC(C)C 34a_200011215037_100000210312 [0,2,0,0,0,0|1,0,1]=4 7956 B12R0.254 C=CC(CCCC)OCCC(C)C 7a_200011215037_100000210626 [0,2,0,0,0,0|1,0,1]=4 7957 B12R0.254 CCCCC(CC)OCCC(C)C 34a_100000210254_200011216223 [0,2,0,0,0,0|1,0,1]=4 7958 B12R0.254 CCCCC(CC)OCCC(C)C 34a_100011215227_100000210312 [0,2,0,0,0,0|1,0,1]=4 7959 B12R0.254 CCCCC(CC)OCCC(C)C 7a_100000210254_200011216223 [0,2,0,0,0,0|1,0,1]=4 7960 B12R0.254 CCCCC(CC)OCCC(C)C 7a_100011215227_100000210626 [0,2,0,0,0,0|1,0,1]=4 7961 B12R0.254 CCOCC(CN)OCCC(C)C 34a_102515437182_100000210312 [0,2,0,0,0,0|1,0,1]=4 7962 B12R0.282 CCCC(C)(CC)OCCC(C)C 7a_100000210254_200000040151 [0,2,0,0,0,0|1,0,1]=4 7963 B12R0.282 CCCC(C)(CC)OCCC(C)C 7a_200011215934_100000210626 [0,2,0,0,0,0|1,0,1]=4 7964 B12R0.397 CCCC(OCCC(C)C)C(=O)N 34a_100011626294_100000210312 [0,2,0,0,0,0|0,0,1]=3 7965 B12R0.397 CCCC(OCCC(C)C)C(=O)N 7a_100011626294_100000210626 [0,2,0,0,0,0|0,0,1]=3 7966 B12R0.397 CCCC(OCCC(C)C)C(C)C 34a_200011215069_100000210312 [0,2,0,0,0,0|1,0,1]=4 7967 B12R0.397 CCCC(OCCC(C)C)C(C)C 7a_200011215069_100000210626 [0,2,0,0,0,0|1,0,1]=4 7968 B12R0.397 CCCC(OCCC(C)O)C(=O)N 34a_100011626294_100012276601 [0,2,0,0,0,0|1,0,1]=4 7969 B12R0.397 CCCC(OCCC(C)O)C(=O)N 7a_100011626294_100012276601 [0,2,0,0,0,0|1,0,1]=4 7970 B12R0.397 CCCC(OCCN(C)C)C(=O)N 7a_100011626294_100000755713 [0,2,0,0,0,0|1,0,1]=4 7971 B12R0.397 CCCC(OCOC(C)C)C(=O)N 34a_100011626294_100000709892 [0,2,0,0,0,0|1,0,1]=4 7972 B12R0.397 CCC[C@H](NCCC(C)C)C(=O)N 2230a_100000729256_100000210312 [0,2,0,0,0,0|1,0,1]=4 7973 B12R0.397 CCC[C@H](NCCC(C)C)C(=O)N 34a_100000729256_100000210312 [0,2,0,0,0,0|1,0,1]=4 7974 B12R0.397 CCC[C@H](NCCC(C)C)C(=O)O 269956a_100000750406_100000210312 [0,2,0,0,0,0|1,0,1]=4 7975 B12R0.76 CCCC(=O)C(C)CN(C)C(C)C 1458a_100015184680_100000210303 [0,2,0,0,0,0|2,0,0]=4 7976 B12R0.77 CCCC(=O)N(CC)CCC(C)C 11a_100000207693_100000211992 [0,2,0,0,0,0|1,0,0]=3 7977 B12R0.77 CCCC(=O)N(CC)CCC(C)C 1626a_100000207693_100000211992 [0,2,0,0,0,0|1,0,0]=3 7978 B12R0.77 CCCC(=O)N(CC)CCC(C)C 240690a_100000207693_100000211992 [0,2,0,0,0,0|1,0,0]=3 7979 B12R0.77 CCCC(=O)N(CC)CCC(C)C 527a_100000207693_100000211992 [0,2,0,0,0,0|1,0,0]=3 7980 B12R0.77 CCCC(=O)N(CC)CCN(C)C 240690a_100000225870_100000211992 [0,2,0,0,0,0|2,0,0]=4 7981 B12R0.77 CCN(CCC(C)C)C(=O)CCO 240690a_100000207693_100011216618 [0,2,0,0,0,0|2,0,0]=4 7982 B12R0.77 CCN(CCC(C)C)C(=O)COC 11a_100000207693_100000210968 [0,2,0,0,0,0|2,0,0]=4 7983 B12R0.77 CCN(CCC(C)C)C(=O)COC 1626a_100000207693_100000210968 [0,2,0,0,0,0|2,0,0]=4 7984 B12R0.77 CCN(CCC(C)C)C(=O)COC 240690a_100000207693_100000210968 [0,2,0,0,0,0|2,0,0]=4 7985 B12R0.77 CCN(CCC(C)C)C(=O)COC 527a_100000207693_100000210968 [0,2,0,0,0,0|2,0,0]=4 7986 B12R0.77 CCN(CCC(C)C)C(=O)CSC 11a_100000207693_100000184570 [0,2,0,0,0,0|2,0,0]=4 7987 B12R0.77 CCN(CCC(C)C)C(=O)CSC 1626a_100000207693_100000184570 [0,2,0,0,0,0|2,0,0]=4 7988 B12R0.77 CCN(CCC(C)C)C(=O)CSC 240690a_100000207693_100000184570 [0,2,0,0,0,0|2,0,0]=4 7989 B12R0.77 CCN(CCC(C)C)C(=O)CSC 527a_100000207693_100000184570 [0,2,0,0,0,0|2,0,0]=4 7990 B12R0.77 CCNC(=O)N(CC)CCC(C)C 2708a_100015525214_100000207693 [0,2,0,0,0,0|2,0,0]=4 7991 B12R0.77 CCNC(=O)N(CC)CCC(C)C 273464a_100015525214_100000207693 [0,2,0,0,0,0|2,0,0]=4 7992 B12R0.88 CC(C)CCC(C)C(=O)C(O)CO 1458a_100011215603_100011261404 [0,2,0,0,0,0|2,0,0]=4 7993 B12R0.88 CC(C)CCN(C)C(=O)C(O)CO 240690a_100000742789_100011215603 [0,2,0,0,0,0|2,0,0]=4 7994 B12R0.88 CCC(C)C(=O)C(=O)NCC(C)C 1458a_200011297155_100000758301 [0,2,0,0,0,0|2,0,0]=4 7995 B12R0.88 CCC(C)C(=O)C(C)CCC(C)C 1458a_100011192722_100011261404 [0,2,0,0,0,0|1,0,0]=3 7996 B12R0.88 CCC(C)C(=O)N(C)CCC(C)C 11a_100000742789_100011192722 [0,2,0,0,0,0|1,0,0]=3 7997 B12R0.88 CCC(C)C(=O)N(C)CCC(C)C 1626a_100000742789_100011192722 [0,2,0,0,0,0|1,0,0]=3 7998 B12R0.88 CCC(C)C(=O)N(C)CCC(C)C 240690a_100000742789_100011192722 [0,2,0,0,0,0|1,0,0]=3 7999 B12R0.88 CCC(C)C(=O)N(C)CCC(C)C 527a_100000742789_100011192722 [0,2,0,0,0,0|1,0,0]=3 8000 B12R0.88 CCC(C)C(=O)N(C)CCN(C)C 240690a_100000225618_100011192722 [0,2,0,0,0,0|2,0,0]=4 8001 B12R0.88 CCC(C)C(=O)N(C)CCN(C)C 527a_100000225618_100011192722 [0,2,0,0,0,0|2,0,0]=4 8002 B12R0.88 CCC(O)C(=O)C(C)CCC(C)C 1458a_100011196387_100011261404 [0,2,0,0,0,0|1,0,0]=3 8003 B12R0.88 CCC(O)C(=O)N(C)CCC(C)C 240690a_100000742789_100011196387 [0,2,0,0,0,0|1,0,0]=3 8004 B12R0.88 CCC(O)C(=O)N(C)CCN(C)C 240690a_100000225618_100011196387 [0,2,0,0,0,0|2,0,0]=4 8005 B12R0.88 COC(C)C(=O)C(C)CCC(C)C 1458a_100000743197_100011261404 [0,2,0,0,0,0|2,0,0]=4 8006 B12R0.88 COC(C)C(=O)N(C)CCC(C)C 11a_100000742789_100000743197 [0,2,0,0,0,0|2,0,0]=4 8007 B12R0.88 COC(C)C(=O)N(C)CCC(C)C 1626a_100000742789_100000743197 [0,2,0,0,0,0|2,0,0]=4 8008 B12R0.88 COC(C)C(=O)N(C)CCC(C)C 240690a_100000742789_100000743197 [0,2,0,0,0,0|2,0,0]=4 8009 B12R0.88 COC(C)C(=O)N(C)CCC(C)C 527a_100000742789_100000743197 [0,2,0,0,0,0|2,0,0]=4 8010 B12R0.88 CSC(C)C(=O)C(C)CCC(C)C 1458a_100000149566_100011261404 [0,2,0,0,0,0|2,0,0]=4 8011 B12R0.88 CSC(C)C(=O)N(C)CCC(C)C 11a_100000742789_100000149566 [0,2,0,0,0,0|2,0,0]=4 8012 B12R0.88 CSC(C)C(=O)N(C)CCC(C)C 1626a_100000742789_100000149566 [0,2,0,0,0,0|2,0,0]=4 8013 B12R0.88 CSC(C)C(=O)N(C)CCC(C)C 240690a_100000742789_100000149566 [0,2,0,0,0,0|2,0,0]=4 8014 B12R0.88 CSC(C)C(=O)N(C)CCC(C)C 527a_100000742789_100000149566 [0,2,0,0,0,0|2,0,0]=4 8015 B12R0.98 C#CCCC(=O)C(C)CCC(C)C 1458a_100000692101_100011261404 [0,2,0,0,0,0|1,0,1]=4 8016 B12R0.98 C#CCCC(=O)N(C)CCC(C)C 11a_100000742789_100000692101 [0,2,0,0,0,0|1,0,1]=4 8017 B12R0.98 C#CCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000692101 [0,2,0,0,0,0|1,0,1]=4 8018 B12R0.98 C#CCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000692101 [0,2,0,0,0,0|1,0,1]=4 8019 B12R0.98 C#CCCC(=O)N(C)CCC(C)C 527a_100000742789_100000692101 [0,2,0,0,0,0|1,0,1]=4 8020 B12R0.98 C=CCCC(=O)C(C)CCC(C)C 1458a_100000749702_100011261404 [0,2,0,0,0,0|1,0,1]=4 8021 B12R0.98 C=CCCC(=O)N(C)CCC(C)C 11a_100000742789_100000749702 [0,2,0,0,0,0|1,0,1]=4 8022 B12R0.98 C=CCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000749702 [0,2,0,0,0,0|1,0,1]=4 8023 B12R0.98 C=CCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000749702 [0,2,0,0,0,0|1,0,1]=4 8024 B12R0.98 C=CCCC(=O)N(C)CCC(C)C 527a_100000742789_100000749702 [0,2,0,0,0,0|1,0,1]=4 8025 B12R0.98 CC(C)CCC(C)C(=O)CCC#N 1458a_100011934036_100011261404 [0,2,0,0,0,0|1,0,1]=4 8026 B12R0.98 CC(C)CCN(C)C(=O)CCC#N 11a_100000742789_100011934036 [0,2,0,0,0,0|1,0,1]=4 8027 B12R0.98 CC(C)CCN(C)C(=O)CCC#N 1626a_100000742789_100011934036 [0,2,0,0,0,0|1,0,1]=4 8028 B12R0.98 CC(C)CCN(C)C(=O)CCC#N 240690a_100000742789_100011934036 [0,2,0,0,0,0|1,0,1]=4 8029 B12R0.98 CC(C)CCN(C)C(=O)CCC#N 527a_100000742789_100011934036 [0,2,0,0,0,0|1,0,1]=4 8030 B12R0.98 CC(C)CCN(C)C(=O)NCCF 273464a_100000724931_100000742789 [0,2,0,0,0,0|2,0,0]=4 8031 B12R0.98 CC(C)CCN(C)C(=O)NCCO 273464a_100000210304_100000742789 [0,2,0,0,0,0|2,0,0]=4 8032 B12R0.98 CC(C)CNC(=O)C(=O)CCCF 1458a_200011297155_100011934791 [0,2,0,0,0,0|2,0,0]=4 8033 B12R0.98 CC(C)CNC(=O)C(=O)CCCO 1458a_200011297155_100011215043 [0,2,0,0,0,0|2,0,0]=4 8034 B12R0.98 CC=CCC(=O)C(C)CCC(C)C 1458a_100121576822_100011261404 [0,2,0,0,0,0|1,0,1]=4 8035 B12R0.98 CC=CCC(=O)N(C)CCC(C)C 11a_100000742789_100121576822 [0,2,0,0,0,0|1,0,1]=4 8036 B12R0.98 CC=CCC(=O)N(C)CCC(C)C 1626a_100000742789_100121576822 [0,2,0,0,0,0|1,0,1]=4 8037 B12R0.98 CC=CCC(=O)N(C)CCC(C)C 240690a_100000742789_100121576822 [0,2,0,0,0,0|1,0,1]=4 8038 B12R0.98 CC=CCC(=O)N(C)CCC(C)C 527a_100000742789_100121576822 [0,2,0,0,0,0|1,0,1]=4 8039 B12R0.98 CCC#CC(=O)C(C)CCC(C)C 1458a_100011827653_100011261404 [0,2,0,0,0,0|1,0,1]=4 8040 B12R0.98 CCC/C=C(\C)/C(=O)CCC(C)C 1458a_200020648666_100000210312 [0,2,0,0,0,0|2,0,0]=4 8041 B12R0.98 CCC=CC(=O)C(C)CCC(C)C 1458a_100000212282_100011261404 [0,2,0,0,0,0|1,0,1]=4 8042 B12R0.98 CCC=CC(=O)N(C)CCC(C)C 11a_100000742789_100000212282 [0,2,0,0,0,0|1,0,1]=4 8043 B12R0.98 CCC=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000212282 [0,2,0,0,0,0|1,0,1]=4 8044 B12R0.98 CCC=CC(=O)N(C)CCC(C)C 240690a_100000742789_100000212282 [0,2,0,0,0,0|1,0,1]=4 8045 B12R0.98 CCCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210211 [0,2,0,0,0,0|2,0,0]=4 8046 B12R0.98 CCCCC(=O)C(C)CCC(C)C 1458a_100000210183_100011261404 [0,2,0,0,0,0|1,0,0]=3 8047 B12R0.98 CCCCC(=O)N(C)CCC(C)C 11a_100000742789_100000210183 [0,2,0,0,0,0|1,0,0]=3 8048 B12R0.98 CCCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210183 [0,2,0,0,0,0|1,0,0]=3 8049 B12R0.98 CCCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210183 [0,2,0,0,0,0|1,0,0]=3 8050 B12R0.98 CCCCC(=O)N(C)CCC(C)C 527a_100000742789_100000210183 [0,2,0,0,0,0|1,0,0]=3 8051 B12R0.98 CCCCC(=O)N(C)CCN(C)C 2230a_200011982002_200000210301 [0,2,0,0,0,0|2,0,0]=4 8052 B12R0.98 CCCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000210183 [0,2,0,0,0,0|2,0,0]=4 8053 B12R0.98 CCCCC(=O)N(C)CCN(C)C 269982a_200011982002_200000210301 [0,2,0,0,0,0|2,0,0]=4 8054 B12R0.98 CCCCC(=O)N(C)CCN(C)C 527a_100000225618_100000210183 [0,2,0,0,0,0|2,0,0]=4 8055 B12R0.98 CCCCC(=O)N(C)CCN(C)[13CH3] 2230a_200011982002_200025704644 [0,2,0,0,0,0|2,0,0]=4 8056 B12R0.98 CCCCC(=O)N(C)CCN(C)[13CH3] 269982a_200011982002_200025704644 [0,2,0,0,0,0|2,0,0]=4 8057 B12R0.98 CCCNC(=O)C(=O)CCC(C)C 1458a_200011297150_100000210312 [0,2,0,0,0,0|1,0,0]=3 8058 B12R0.98 CCCNC(=O)C(=O)CCC(C)O 1458a_200011297150_100012276601 [0,2,0,0,0,0|2,0,0]=4 8059 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 1626a_100000210953_200011297150 [0,2,0,0,0,0|2,0,0]=4 8060 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 1626a_100020643023_200011297155 [0,2,0,0,0,0|2,0,0]=4 8061 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 240690a_100000210953_200011297150 [0,2,0,0,0,0|2,0,0]=4 8062 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 240690a_100020643023_200011297155 [0,2,0,0,0,0|2,0,0]=4 8063 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 527a_100000210953_200011297150 [0,2,0,0,0,0|2,0,0]=4 8064 B12R0.98 CCCNC(=O)C(=O)NCC(C)C 527a_100020643023_200011297155 [0,2,0,0,0,0|2,0,0]=4 8065 B12R0.98 CCCNC(=O)C(C)NCC(C)C 2230a_100000210953_100000230305 [0,2,0,0,0,0|2,0,0]=4 8066 B12R0.98 CCCNC(=O)C(C)NCC(C)C 2230a_100025744714_100000210760 [0,2,0,0,0,0|2,0,0]=4 8067 B12R0.98 CCCNC(=O)C(C)NCC(C)C 34a_100000210953_100000230305 [0,2,0,0,0,0|2,0,0]=4 8068 B12R0.98 CCCNC(=O)C(C)NCC(C)C 34a_100025744714_100000210624 [0,2,0,0,0,0|2,0,0]=4 8069 B12R0.98 CCCNC(=O)C(C)OCC(C)C 34a_100000210257_100000230305 [0,2,0,0,0,0|2,0,0]=4 8070 B12R0.98 CCCNC(=O)C(C)SCC(C)C 62a_100000210624_100000230305 [0,2,0,0,0,0|2,0,0]=4 8071 B12R0.98 CCCNC(=O)C(C)SCC(C)C 62a_100000230305_100000210760 [0,2,0,0,0,0|2,0,0]=4 8072 B12R0.98 CCCNC(=O)N(C)CCC(C)C 2708a_100020643023_100000742789 [0,2,0,0,0,0|1,0,0]=3 8073 B12R0.98 CCCNC(=O)N(C)CCC(C)C 273464a_100020643023_100000742789 [0,2,0,0,0,0|1,0,0]=3 8074 B12R0.98 CCCNC(=O)N(C)CCN(C)C 2708a_100020643023_100000225618 [0,2,0,0,0,0|2,0,0]=4 8075 B12R0.98 CCCNC(=O)N(C)CCN(C)C 273464a_100020643023_100000225618 [0,2,0,0,0,0|2,0,0]=4 8076 B12R0.98 CCCOC(=O)C(C)NCC(C)C 2230a_100000210953_100000760410 [0,2,0,0,0,0|2,0,0]=4 8077 B12R0.98 CCCOC(=O)C(C)NCC(C)C 34a_100000210953_100000760410 [0,2,0,0,0,0|2,0,0]=4 8078 B12R0.98 CCCOC(=O)C(C)OCC(C)C 34a_100000037348_100000210624 [0,2,0,0,0,0|2,0,0]=4 8079 B12R0.98 CCCOC(=O)C(C)OCC(C)C 34a_100000210257_100000760410 [0,2,0,0,0,0|2,0,0]=4 8080 B12R0.98 CCCOC(=O)C(C)OCC(C)C 7a_100000037348_100000210760 [0,2,0,0,0,0|2,0,0]=4 8081 B12R0.98 CCCOC(=O)C(C)SCC(C)C 62a_100000210624_100000760410 [0,2,0,0,0,0|2,0,0]=4 8082 B12R0.98 CCCOC(=O)C(C)SCC(C)C 62a_100000760410_100000210760 [0,2,0,0,0,0|2,0,0]=4 8083 B12R0.98 CCOCC(=O)C(C)CCC(C)C 1458a_100000211967_100011261404 [0,2,0,0,0,0|1,0,0]=3 8084 B12R0.98 CCOCC(=O)N(C)CCC(C)C 11a_100000742789_100000211967 [0,2,0,0,0,0|1,0,0]=3 8085 B12R0.98 CCOCC(=O)N(C)CCC(C)C 1626a_100000742789_100000211967 [0,2,0,0,0,0|1,0,0]=3 8086 B12R0.98 CCOCC(=O)N(C)CCC(C)C 240690a_100000742789_100000211967 [0,2,0,0,0,0|1,0,0]=3 8087 B12R0.98 CCOCC(=O)N(C)CCC(C)C 527a_100000742789_100000211967 [0,2,0,0,0,0|1,0,0]=3 8088 B12R0.98 CCOCC(=O)N(C)CCN(C)C 240690a_100000225618_100000211967 [0,2,0,0,0,0|2,0,0]=4 8089 B12R0.98 CCOCC(=O)N(C)CCN(C)C 527a_100000225618_100000211967 [0,2,0,0,0,0|2,0,0]=4 8090 B12R0.98 CCSCC(=O)C(C)CCC(C)C 1458a_100000230394_100011261404 [0,2,0,0,0,0|1,0,0]=3 8091 B12R0.98 CCSCC(=O)N(C)CCC(C)C 11a_100000742789_100000230394 [0,2,0,0,0,0|1,0,0]=3 8092 B12R0.98 CCSCC(=O)N(C)CCC(C)C 1626a_100000742789_100000230394 [0,2,0,0,0,0|1,0,0]=3 8093 B12R0.98 CCSCC(=O)N(C)CCC(C)C 240690a_100000742789_100000230394 [0,2,0,0,0,0|1,0,0]=3 8094 B12R0.98 CCSCC(=O)N(C)CCC(C)C 527a_100000742789_100000230394 [0,2,0,0,0,0|1,0,0]=3 8095 B12R0.98 CCSCC(=O)N(C)CCN(C)C 240690a_100000225618_100000230394 [0,2,0,0,0,0|2,0,0]=4 8096 B12R0.98 CCSCC(=O)N(C)CCN(C)C 527a_100000225618_100000230394 [0,2,0,0,0,0|2,0,0]=4 8097 B12R0.98 COCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000233755 [0,2,0,0,0,0|2,0,0]=4 8098 B12R0.98 COCCC(=O)C(C)CCC(C)C 1458a_100000749529_100011261404 [0,2,0,0,0,0|1,0,0]=3 8099 B12R0.98 COCCC(=O)N(C)CCC(C)C 11a_100000742789_100000749529 [0,2,0,0,0,0|1,0,0]=3 8100 B12R0.98 COCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000749529 [0,2,0,0,0,0|1,0,0]=3 8101 B12R0.98 COCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000749529 [0,2,0,0,0,0|1,0,0]=3 8102 B12R0.98 COCCC(=O)N(C)CCC(C)C 527a_100000742789_100000749529 [0,2,0,0,0,0|1,0,0]=3 8103 B12R0.98 COCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000749529 [0,2,0,0,0,0|2,0,0]=4 8104 B12R0.98 COCCC(=O)N(C)CCN(C)C 527a_100000225618_100000749529 [0,2,0,0,0,0|2,0,0]=4 8105 B12R0.98 CSCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000751147 [0,2,0,0,0,0|2,0,0]=4 8106 B12R0.98 CSCCC(=O)C(C)CCC(C)C 1458a_100000174002_100011261404 [0,2,0,0,0,0|1,0,0]=3 8107 B12R0.98 CSCCC(=O)N(C)CCC(C)C 11a_100000742789_100000174002 [0,2,0,0,0,0|1,0,0]=3 8108 B12R0.98 CSCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000174002 [0,2,0,0,0,0|1,0,0]=3 8109 B12R0.98 CSCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000174002 [0,2,0,0,0,0|1,0,0]=3 8110 B12R0.98 CSCCC(=O)N(C)CCC(C)C 527a_100000742789_100000174002 [0,2,0,0,0,0|1,0,0]=3 8111 B12R0.98 CSCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000174002 [0,2,0,0,0,0|2,0,0]=4 8112 B12R0.98 CSCCC(=O)N(C)CCN(C)C 527a_100000225618_100000174002 [0,2,0,0,0,0|2,0,0]=4 8113 B12R0.174 CCCS(=O)(=O)N(C)CCC(C)C 270084a_100000742789_100000211391 [0,2,0,0,0,0|2,0,0]=4 8114 B12R0.174 CCCS(=O)(=O)N(C)CCC(C)C 274078a_100000742789_100000211391 [0,2,0,0,0,0|2,0,0]=4 8115 B12R0.174 CCCS(=O)(=O)N(C)CCC(C)C 40a_100000742789_100000054278 [0,2,0,0,0,0|2,0,0]=4 8116 B12R0.178 CCNC(=O)C(=O)CCC(C)(C)C 1458a_200011297158_100000755188 [0,2,0,0,0,0|2,0,0]=4 8117 B12R0.417 CC(C)CCC(C)(C)C(=O)CCO 1458a_100011216618_200000037585 [0,2,0,0,0,0|2,0,0]=4 8118 B12R0.417 CCCC(=O)C(C)(C)CCC(C)C 1458a_100000211992_200000037585 [0,2,0,0,0,0|1,0,0]=3 8119 B12R0.417 COCC(=O)C(C)(C)CCC(C)C 1458a_100000210968_200000037585 [0,2,0,0,0,0|2,0,0]=4 8120 B12R0.417 CSCC(=O)C(C)(C)CCC(C)C 1458a_100000184570_200000037585 [0,2,0,0,0,0|2,0,0]=4 8121 B12R0.176 CCCS(=O)(=O)NCCC(C)CC 270084a_100020591266_100000211391 [0,2,0,0,0,0|2,0,0]=4 8122 B12R0.176 CCCS(=O)(=O)NCCC(C)CC 274078a_100020591266_100000211391 [0,2,0,0,0,0|2,0,0]=4 8123 B12R0.176 CCCS(=O)(=O)NCCC(C)CC 40a_100020591266_100000054278 [0,2,0,0,0,0|2,0,0]=4 8124 B12R0.176 CCCS(=O)(=O)NCCC(C)CO 270084a_106354213184_100000211391 [0,2,0,0,0,0|2,0,0]=4 8125 B12R0.176 CCCS(=O)(=O)NCCC(C)CO 274078a_106354213184_100000211391 [0,2,0,0,0,0|2,0,0]=4 8126 B12R0.176 CCCS(=O)(=O)NCCC(C)CO 40a_106354213184_100000054278 [0,2,0,0,0,0|2,0,0]=4 8127 B12R0.177 CCCC(C)(C)OCCC(C)(C)C 7a_100000748436_100000755188 [0,2,0,0,0,0|1,0,1]=4 8128 B12R0.177 CCCC(C)(C)OCCC(C)(C)O 7a_100000748436_100000702414 [0,2,0,0,0,0|1,0,1]=4 8129 B12R0.177 CCCS(=O)(=O)NCCC(C)(C)C 270084a_100000738805_100000211391 [0,2,0,0,0,0|2,0,0]=4 8130 B12R0.177 CCCS(=O)(=O)NCCC(C)(C)C 274078a_100000738805_100000211391 [0,2,0,0,0,0|2,0,0]=4 8131 B12R0.177 CCCS(=O)(=O)NCCC(C)(C)C 40a_100000738805_100000054278 [0,2,0,0,0,0|2,0,0]=4 8132 B12R0.177 CCCS(=O)(=O)NCCC(C)(C)F 270084a_100016253952_100000211391 [0,2,0,0,0,0|2,0,0]=4 8133 B12R0.177 CCCS(=O)(=O)NCCC(C)(C)F 274078a_100016253952_100000211391 [0,2,0,0,0,0|2,0,0]=4 8134 B12R0.177 CCCS(=O)(=O)NCCC(C)(C)F 40a_100016253952_100000054278 [0,2,0,0,0,0|2,0,0]=4 8135 B12R0.177 CCCS(=O)(=O)NCCC(C)(C)O 270084a_100000707701_100000211391 [0,2,0,0,0,0|2,0,0]=4 8136 B12R0.177 CCCS(=O)(=O)NCCC(C)(C)O 274078a_100000707701_100000211391 [0,2,0,0,0,0|2,0,0]=4 8137 B12R0.177 CCCS(=O)(=O)NCCC(C)(C)O 40a_100000707701_100000054278 [0,2,0,0,0,0|2,0,0]=4 8138 B12R0.331 CC(C)CCNS(=O)(=O)CCCCl 270084a_100000210545_100000211827 [0,2,0,0,0,0|2,0,0]=4 8139 B12R0.331 CC(C)CCNS(=O)(=O)CCCF 270084a_100000210545_200000759752 [0,2,0,0,0,0|2,0,0]=4 8140 B12R0.331 CC(C)CCNS(=O)(=O)CCCF 274078a_100000210545_200000759752 [0,2,0,0,0,0|2,0,0]=4 8141 B12R0.331 CC(C)CCOC(C)(C)CCCBr 7a_100009888830_100000210626 [0,2,0,0,0,0|1,0,1]=4 8142 B12R0.331 CCCCC(C)(C)OCCC(C)C 7a_100011219641_100000210626 [0,2,0,0,0,0|1,0,1]=4 8143 B12R0.331 CCCCS(=O)(=O)NCCC(C)C 270084a_100000210545_100000212082 [0,2,0,0,0,0|2,0,0]=4 8144 B12R0.331 CCCCS(=O)(=O)NCCC(C)C 274078a_100000210545_100000212082 [0,2,0,0,0,0|2,0,0]=4 8145 B12R0.331 CCCCS(=O)(=O)NCCC(C)C 40a_100000210545_100000054263 [0,2,0,0,0,0|2,0,0]=4 8146 B12R0.331 COCCS(=O)(=O)NCCC(C)C 270084a_100000210545_100000745348 [0,2,0,0,0,0|2,0,0]=4 8147 B12R0.331 COCCS(=O)(=O)NCCC(C)C 274078a_100000210545_100000745348 [0,2,0,0,0,0|2,0,0]=4 8148 B12R0.432 CCCS(=O)(=O)NCC(O)C(C)C 270084a_100000759067_100000211391 [0,2,0,0,0,0|2,0,0]=4 8149 B12R0.432 CCCS(=O)(=O)NCC(O)C(C)C 274078a_100000759067_100000211391 [0,2,0,0,0,0|2,0,0]=4 8150 B12R0.432 CCCS(=O)(=O)NCC(O)C(C)C 40a_100000759067_100000054278 [0,2,0,0,0,0|2,0,0]=4 8151 B12R0.613 CCC(C)S(=O)(=O)NCCC(C)C 270084a_100000210545_100000685195 [0,2,0,0,0,0|2,0,0]=4 8152 B12R0.613 CCC(C)S(=O)(=O)NCCC(C)C 274078a_100000210545_100000685195 [0,2,0,0,0,0|2,0,0]=4 8153 B12R0.16 CCCC(=O)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100000747444 [0,2,0,0,0,0|2,0,0]=4 8154 B12R0.16 CCCC(=O)CN[C@H](C)C(C)(C)C 2230a_100025703359_100000747444 [0,2,0,0,0,0|2,0,0]=4 8155 B12R0.16 CCCC(=O)NC[C@@H](F)C(C)(C)O 1626a_100015379105_100000211992 [0,2,0,0,0,0|1,0,0]=3 8156 B12R0.16 CCCC(=O)NC[C@@H](F)C(C)(C)O 527a_100015379105_100000211992 [0,2,0,0,0,0|1,0,0]=3 8157 B12R0.16 CCCC(=O)OCC(=O)C(C)(C)C 1458a_106744555173_100000034017 [0,2,0,0,0,0|0,0,1]=3 8158 B12R0.16 CCCC(=O)OCC(=O)C(C)(C)F 1458a_100000765255_100000034017 [0,2,0,0,0,0|0,0,1]=3 8159 B12R0.16 CCCC(=O)OCC(=O)C(C)(C)O 1458a_100000242741_100000034017 [0,2,0,0,0,0|0,0,1]=3 8160 B12R0.16 CCCC(=O)OCN(C)C(C)(C)C 269982a_100011215553_100000034017 [0,2,0,0,0,0|1,0,0]=3 8161 B12R0.16 CCNC(=O)NC[C@@H](F)C(C)(C)O 2708a_100015525214_100015379105 [0,2,0,0,0,0|2,0,0]=4 8162 B12R0.16 CCNC(=O)NC[C@@H](F)C(C)(C)O 273464a_100015525214_100015379105 [0,2,0,0,0,0|2,0,0]=4 8163 B12R0.16 CCNC(=O)NC[C@@H](F)C(C)(C)O 512a_100015379105_100015525214 [0,2,0,0,0,0|2,0,0]=4 8164 B12R0.16 CCNC(=O)NC[C@@H](F)C(C)(C)O 512a_100015525214_100015379105 [0,2,0,0,0,0|2,0,0]=4 8165 B12R0.16 COCC(=O)NC[C@@H](F)C(C)(C)O 1626a_100015379105_100000210968 [0,2,0,0,0,0|2,0,0]=4 8166 B12R0.16 COCC(=O)NC[C@@H](F)C(C)(C)O 527a_100015379105_100000210968 [0,2,0,0,0,0|2,0,0]=4 8167 B12R0.16 CSCC(=O)NC[C@@H](F)C(C)(C)O 1626a_100015379105_100000184570 [0,2,0,0,0,0|2,0,0]=4 8168 B12R0.16 CSCC(=O)NC[C@@H](F)C(C)(C)O 527a_100015379105_100000184570 [0,2,0,0,0,0|2,0,0]=4 8169 B12R0.17 C#CC(OCC(=O)CCC)C(C)C 7a_100011217124_100000747444 [0,2,0,0,0,0|2,0,0]=4 8170 B12R0.17 C=CC(OCC(=O)CCC)C(C)C 7a_100000732651_100000747444 [0,2,0,0,0,0|2,0,0]=4 8171 B12R0.17 CC(C)C(CO)CNC(=O)CCO 240690a_100000692819_100011216618 [0,2,0,0,0,0|2,0,0]=4 8172 B12R0.17 CCCC(=O)CN[C@@H](CO)C(C)C 2230a_100011830312_100000747444 [0,2,0,0,0,0|2,0,0]=4 8173 B12R0.17 CCCC(=O)COC(C#N)C(C)C 7a_100000748901_100000747444 [0,2,0,0,0,0|2,0,0]=4 8174 B12R0.17 CCCC(=O)COC(CC)C(C)C 7a_100011218073_100000747444 [0,2,0,0,0,0|2,0,0]=4 8175 B12R0.17 CCCC(=O)NCC(CC)N(C)C 11a_100000738386_100000211992 [0,2,0,0,0,0|2,0,0]=4 8176 B12R0.17 CCCC(=O)NCC(CC)N(C)C 1626a_100000738386_100000211992 [0,2,0,0,0,0|2,0,0]=4 8177 B12R0.17 CCCC(=O)NCC(CC)N(C)C 240690a_100000738386_100000211992 [0,2,0,0,0,0|2,0,0]=4 8178 B12R0.17 CCCC(=O)NCC(CO)C(C)C 240690a_100000692819_100000211992 [0,2,0,0,0,0|1,0,0]=3 8179 B12R0.17 CCCC(=O)NCC(CO)C(C)C 527a_100000692819_100000211992 [0,2,0,0,0,0|1,0,0]=3 8180 B12R0.17 CCCC(=O)OCN(CC)C(C)C 2230a_100000223864_100000034017 [0,2,0,0,0,0|1,0,0]=3 8181 B12R0.17 CCCC(=O)OCN(CC)C(C)C 269982a_100000223864_100000034017 [0,2,0,0,0,0|1,0,0]=3 8182 B12R0.17 CCCC(C)OCC(CC)C(C)C 34a_100011995916_100000766640 [0,2,0,0,0,0|1,0,1]=4 8183 B12R0.17 CCCC(C)OCC(CC)C(C)C 7a_100011995916_100000766640 [0,2,0,0,0,0|1,0,1]=4 8184 B12R0.17 CCCC(C)OCC(CN)C(C)C 34a_100000692819_100000766640 [0,2,0,0,0,0|1,0,1]=4 8185 B12R0.17 CCNC(=O)NCC(CO)C(C)C 2708a_100015525214_100000692819 [0,2,0,0,0,0|2,0,0]=4 8186 B12R0.17 CCNC(=O)NCC(CO)C(C)C 273464a_100000692819_100015525214 [0,2,0,0,0,0|2,0,0]=4 8187 B12R0.17 CCNC(=O)NCC(CO)C(C)C 273464a_100015525214_100000692819 [0,2,0,0,0,0|2,0,0]=4 8188 B12R0.17 CCNC(=O)NCC(CO)C(C)C 512a_100000692819_100015525214 [0,2,0,0,0,0|2,0,0]=4 8189 B12R0.17 CCNC(=O)NCC(CO)C(C)C 512a_100015525214_100000692819 [0,2,0,0,0,0|2,0,0]=4 8190 B12R0.17 COCC(=O)NCC(CO)C(C)C 240690a_100000692819_100000210968 [0,2,0,0,0,0|2,0,0]=4 8191 B12R0.17 COCC(=O)NCC(CO)C(C)C 527a_100000692819_100000210968 [0,2,0,0,0,0|2,0,0]=4 8192 B12R0.17 CSCC(=O)NCC(CO)C(C)C 240690a_100000692819_100000184570 [0,2,0,0,0,0|2,0,0]=4 8193 B12R0.17 CSCC(=O)NCC(CO)C(C)C 527a_100000692819_100000184570 [0,2,0,0,0,0|2,0,0]=4 8194 B12R0.48 C#CCCC(=O)NCC(O)C(C)C 11a_100000759067_100000692101 [0,2,0,0,0,0|1,0,1]=4 8195 B12R0.48 C#CCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000692101 [0,2,0,0,0,0|1,0,1]=4 8196 B12R0.48 C#CCCC(=O)NCC(O)C(C)C 527a_100000759067_100000692101 [0,2,0,0,0,0|1,0,1]=4 8197 B12R0.48 C=CCCC(=O)NCC(O)C(C)C 11a_100000759067_100000749702 [0,2,0,0,0,0|1,0,1]=4 8198 B12R0.48 C=CCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000749702 [0,2,0,0,0,0|1,0,1]=4 8199 B12R0.48 C=CCCC(=O)NCC(O)C(C)C 527a_100000759067_100000749702 [0,2,0,0,0,0|1,0,1]=4 8200 B12R0.48 CC(C)C(O)CNC(=O)CCC#N 11a_100000759067_100011934036 [0,2,0,0,0,0|1,0,1]=4 8201 B12R0.48 CC(C)C(O)CNC(=O)CCC#N 240690a_100000759067_100011934036 [0,2,0,0,0,0|1,0,1]=4 8202 B12R0.48 CC(C)C(O)CNC(=O)CCC#N 527a_100000759067_100011934036 [0,2,0,0,0,0|1,0,1]=4 8203 B12R0.48 CC(C)C(O)CNC(=O)NCCF 273464a_100000724931_100000759067 [0,2,0,0,0,0|2,0,0]=4 8204 B12R0.48 CC(C)C(O)CNC(=O)NCCF 273464a_100000759067_100000724931 [0,2,0,0,0,0|2,0,0]=4 8205 B12R0.48 CC(C)C(O)CNC(=O)NCCF 512a_100000759067_100000724931 [0,2,0,0,0,0|2,0,0]=4 8206 B12R0.48 CC(C)C(O)CNC(=O)NCCO 273464a_100000210304_100000759067 [0,2,0,0,0,0|2,0,0]=4 8207 B12R0.48 CC(C)C(O)CNC(=O)NCCO 273464a_100000759067_100000210304 [0,2,0,0,0,0|2,0,0]=4 8208 B12R0.48 CC(C)C(O)CNC(=O)NCCO 512a_100000759067_100000210304 [0,2,0,0,0,0|2,0,0]=4 8209 B12R0.48 CC(C)N(C)CCC(=O)CCCF 1458a_100015184040_100011934791 [0,2,0,0,0,0|2,0,0]=4 8210 B12R0.48 CC(C)N(C)CCC(=O)CCCO 1458a_100015184040_100011215043 [0,2,0,0,0,0|2,0,0]=4 8211 B12R0.48 CC=CCC(=O)NCC(O)C(C)C 11a_100000759067_100121576822 [0,2,0,0,0,0|1,0,1]=4 8212 B12R0.48 CC=CCC(=O)NCC(O)C(C)C 240690a_100000759067_100121576822 [0,2,0,0,0,0|1,0,1]=4 8213 B12R0.48 CC=CCC(=O)NCC(O)C(C)C 527a_100000759067_100121576822 [0,2,0,0,0,0|1,0,1]=4 8214 B12R0.48 CCC=CC(=O)NCC(O)C(C)C 11a_100000759067_100000212282 [0,2,0,0,0,0|1,0,1]=4 8215 B12R0.48 CCC=CC(=O)NCC(O)C(C)C 240690a_100000759067_100000212282 [0,2,0,0,0,0|1,0,1]=4 8216 B12R0.48 CCCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210211 [0,2,0,0,0,0|2,0,0]=4 8217 B12R0.48 CCCCC(=O)NCC(O)C(C)C 11a_100000759067_100000210183 [0,2,0,0,0,0|1,0,0]=3 8218 B12R0.48 CCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210183 [0,2,0,0,0,0|1,0,0]=3 8219 B12R0.48 CCCCC(=O)NCC(O)C(C)C 527a_100000759067_100000210183 [0,2,0,0,0,0|1,0,0]=3 8220 B12R0.48 CCCCC(C)OC[C@H](N)C(C)C 34a_100011830312_200011215066 [0,2,0,0,0,0|1,0,1]=4 8221 B12R0.48 CCCNC(=O)CCC(=O)C(C)C 1458a_100000199543_100000210206 [0,2,0,0,0,0|1,0,1]=4 8222 B12R0.48 CCCNC(=O)CCN(C)C(C)C 1626a_100020643023_100015184040 [0,2,0,0,0,0|2,0,0]=4 8223 B12R0.48 CCCNC(=O)CCN(C)C(C)C 240690a_100020643023_100015184040 [0,2,0,0,0,0|2,0,0]=4 8224 B12R0.48 CCCNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183358 [0,2,0,0,0,0|2,0,0]=4 8225 B12R0.48 CCCNC(=O)COC(C)C(C)C 7a_100000748068_100000183358 [0,2,0,0,0,0|2,0,0]=4 8226 B12R0.48 CCCNC(=O)NCC(O)C(C)C 2708a_100020643023_100000759067 [0,2,0,0,0,0|1,0,0]=3 8227 B12R0.48 CCCNC(=O)NCC(O)C(C)C 273464a_100000759067_100020643023 [0,2,0,0,0,0|1,0,0]=3 8228 B12R0.48 CCCNC(=O)NCC(O)C(C)C 273464a_100020643023_100000759067 [0,2,0,0,0,0|1,0,0]=3 8229 B12R0.48 CCCNC(=O)NCC(O)C(C)C 512a_100000759067_100020643023 [0,2,0,0,0,0|1,0,0]=3 8230 B12R0.48 CCCNC(=O)NCC(O)C(C)C 512a_100020643023_100000759067 [0,2,0,0,0,0|1,0,0]=3 8231 B12R0.48 CCCOC(=O)CNC(C)C(C)C 2230a_100000211541_200011215008 [0,2,0,0,0,0|2,0,0]=4 8232 B12R0.48 CCCOC(=O)COC(C)C(C)C 7a_100000748068_200011215008 [0,2,0,0,0,0|2,0,0]=4 8233 B12R0.48 CCCOC(=O)OCC(=O)C(C)C 1458a_100000210198_200000139673 [0,2,0,0,0,0|0,0,1]=3 8234 B12R0.48 CCCOC(=O)OCC(=O)C(C)F 1458a_100000062450_200000139673 [0,2,0,0,0,0|1,0,1]=4 8235 B12R0.48 CCCOC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_200000139673 [0,2,0,0,0,0|1,0,1]=4 8236 B12R0.48 CCCOC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_200000139673 [0,2,0,0,0,0|1,0,1]=4 8237 B12R0.48 CCCOC(=O)OCN(C)C(C)C 269982a_200000211004_200000139673 [0,2,0,0,0,0|1,0,0]=3 8238 B12R0.48 CCNNC(=O)NCC(O)C(C)C 273464a_100000759067_100000756455 [0,2,0,0,0,0|2,0,0]=4 8239 B12R0.48 CCNNC(=O)NCC(O)C(C)C 512a_100000756455_100000759067 [0,2,0,0,0,0|2,0,0]=4 8240 B12R0.48 CCNNC(=O)NCC(O)C(C)C 512a_100000759067_100000756455 [0,2,0,0,0,0|2,0,0]=4 8241 B12R0.48 CCOCC(=O)NCC(O)C(C)C 11a_100000759067_100000211967 [0,2,0,0,0,0|1,0,0]=3 8242 B12R0.48 CCOCC(=O)NCC(O)C(C)C 240690a_100000759067_100000211967 [0,2,0,0,0,0|1,0,0]=3 8243 B12R0.48 CCOCC(=O)NCC(O)C(C)C 527a_100000759067_100000211967 [0,2,0,0,0,0|1,0,0]=3 8244 B12R0.48 CCSCC(=O)NCC(O)C(C)C 11a_100000759067_100000230394 [0,2,0,0,0,0|1,0,0]=3 8245 B12R0.48 CCSCC(=O)NCC(O)C(C)C 240690a_100000759067_100000230394 [0,2,0,0,0,0|1,0,0]=3 8246 B12R0.48 CCSCC(=O)NCC(O)C(C)C 527a_100000759067_100000230394 [0,2,0,0,0,0|1,0,0]=3 8247 B12R0.48 COCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000233755 [0,2,0,0,0,0|2,0,0]=4 8248 B12R0.48 COCCC(=O)NCC(O)C(C)C 11a_100000759067_100000749529 [0,2,0,0,0,0|1,0,0]=3 8249 B12R0.48 COCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000749529 [0,2,0,0,0,0|1,0,0]=3 8250 B12R0.48 COCCC(=O)NCC(O)C(C)C 527a_100000759067_100000749529 [0,2,0,0,0,0|1,0,0]=3 8251 B12R0.48 CSCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000751147 [0,2,0,0,0,0|2,0,0]=4 8252 B12R0.48 CSCCC(=O)NCC(O)C(C)C 11a_100000759067_100000174002 [0,2,0,0,0,0|1,0,0]=3 8253 B12R0.48 CSCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000174002 [0,2,0,0,0,0|1,0,0]=3 8254 B12R0.48 CSCCC(=O)NCC(O)C(C)C 527a_100000759067_100000174002 [0,2,0,0,0,0|1,0,0]=3 8255 B12R0.79 C/C=C(\C)/C(=O)COC(=O)CCC 1458a_100020587367_100000034017 [0,2,0,0,0,0|0,0,2]=4 8256 B12R0.79 C=CC(C)C(=O)COC(=O)CCC 1458a_100011216780_100000034017 [0,2,0,0,0,0|0,0,2]=4 8257 B12R0.79 CCCC(=O)COC(C)C(C)CC 7a_100011215189_100000747444 [0,2,0,0,0,0|2,0,0]=4 8258 B12R0.79 CCCC(=O)OCC(=O)C(C)C#N 1458a_100000753662_100000034017 [0,2,0,0,0,0|0,0,2]=4 8259 B12R0.79 CCCC(=O)OCC(=O)C(C)CC 1458a_100011192722_100000034017 [0,2,0,0,0,0|0,0,1]=3 8260 B12R0.79 CCCC(=O)OCC(=O)C(C)OC 1458a_100000743197_100000034017 [0,2,0,0,0,0|0,0,1]=3 8261 B12R0.79 CCCC(=O)OCC(=O)C(C)SC 1458a_100000149566_100000034017 [0,2,0,0,0,0|0,0,1]=3 8262 B12R0.79 CCCC(=O)OCC(=O)C(O)CC 1458a_100011196387_100000034017 [0,2,0,0,0,0|1,0,1]=4 8263 B12R0.79 CCCC(=O)OCC(=O)C(O)CO 1458a_100011215603_100000034017 [0,2,0,0,0,0|1,0,1]=4 8264 B12R0.79 CCCC(=O)OCN(C)C(C)CC 2230a_100000741768_100000034017 [0,2,0,0,0,0|1,0,0]=3 8265 B12R0.79 CCCC(=O)OCN(C)C(C)CC 269982a_100000741768_100000034017 [0,2,0,0,0,0|1,0,0]=3 8266 B12R0.79 CCCC(=O)OCN(C)C(C)CO 2230a_100000693034_100000034017 [0,2,0,0,0,0|1,0,0]=3 8267 B12R0.79 CCCC(=O)OCN(C)C(C)CO 269982a_100000693034_100000034017 [0,2,0,0,0,0|1,0,0]=3 8268 B12R0.236 CC(C)C(O)CNC(=O)C(O)CO 240690a_100000759067_100011215603 [0,2,0,0,0,0|2,0,0]=4 8269 B12R0.236 CCC(C)C(=O)CCN(C)C(C)C 1458a_100015184040_100000758301 [0,2,0,0,0,0|2,0,0]=4 8270 B12R0.236 CCC(C)C(=O)NCC(=O)C(C)C 1458a_100000743532_100000210206 [0,2,0,0,0,0|1,0,1]=4 8271 B12R0.236 CCC(C)C(=O)NCC(O)C(C)C 11a_100000759067_100011192722 [0,2,0,0,0,0|1,0,0]=3 8272 B12R0.236 CCC(C)C(=O)NCC(O)C(C)C 240690a_100000759067_100011192722 [0,2,0,0,0,0|1,0,0]=3 8273 B12R0.236 CCC(C)C(=O)NCC(O)C(C)C 527a_100000759067_100011192722 [0,2,0,0,0,0|1,0,0]=3 8274 B12R0.236 CCC(O)C(=O)NCC(O)C(C)C 240690a_100000759067_100011196387 [0,2,0,0,0,0|1,0,0]=3 8275 B12R0.236 CCN(C)C(=O)NCC(O)C(C)C 273464a_100000759067_100000225621 [0,2,0,0,0,0|2,0,0]=4 8276 B12R0.236 COC(C)C(=O)NCC(O)C(C)C 11a_100000759067_100000743197 [0,2,0,0,0,0|2,0,0]=4 8277 B12R0.236 COC(C)C(=O)NCC(O)C(C)C 240690a_100000759067_100000743197 [0,2,0,0,0,0|2,0,0]=4 8278 B12R0.236 COC(C)C(=O)NCC(O)C(C)C 527a_100000759067_100000743197 [0,2,0,0,0,0|2,0,0]=4 8279 B12R0.236 CSC(C)C(=O)NCC(O)C(C)C 11a_100000759067_100000149566 [0,2,0,0,0,0|2,0,0]=4 8280 B12R0.236 CSC(C)C(=O)NCC(O)C(C)C 240690a_100000759067_100000149566 [0,2,0,0,0,0|2,0,0]=4 8281 B12R0.236 CSC(C)C(=O)NCC(O)C(C)C 527a_100000759067_100000149566 [0,2,0,0,0,0|2,0,0]=4 8282 B12R0.266 CCCC(=O)CNC(C)(C)C(C)C 2230a_200160471154_100000747444 [0,2,0,0,0,0|2,0,0]=4 8283 B12R0.266 CCCC(=O)COC(C)(C)C(C)C 7a_100011215261_100000747444 [0,2,0,0,0,0|2,0,0]=4 8284 B12R0.266 CCCC(=O)NCC(C)(C)N(C)C 1626a_100153394228_100000211992 [0,2,0,0,0,0|2,0,0]=4 8285 B12R0.266 CCCC(=O)NCC(C)(C)N(C)C 240690a_100153394228_100000211992 [0,2,0,0,0,0|2,0,0]=4 8286 B12R0.266 CCCC(=O)NCC(C)(C)N(C)C 527a_100153394228_100000211992 [0,2,0,0,0,0|2,0,0]=4 8287 B12R0.90 CC(C)(C)CCNC(=O)C(O)CO 240690a_100000738805_100011215603 [0,2,0,0,0,0|2,0,0]=4 8288 B12R0.90 CC(C)(F)CCNC(=O)C(O)CO 240690a_100016253952_100011215603 [0,2,0,0,0,0|2,0,0]=4 8289 B12R0.90 CCC(C)C(=O)CCC[N+](C)(C)C 1458a_100000085584_100000758301 [0,2,0,0,0,0|2,0,0]=4 8290 B12R0.90 CCC(C)C(=O)CCC[N+](C)(C)C 1458a_100011192722_100016990835 [0,2,0,0,0,0|2,0,0]=4 8291 B12R0.90 CCC(C)C(=O)CCC[Si](C)(C)C 1458a_100011192722_100011219597 [0,2,0,0,0,0|1,1,0]=4 8292 B12R0.90 CCC(C)C(=O)NCCC(C)(C)C 11a_100000738805_100011192722 [0,2,0,0,0,0|1,0,0]=3 8293 B12R0.90 CCC(C)C(=O)NCCC(C)(C)C 1626a_100000738805_100011192722 [0,2,0,0,0,0|1,0,0]=3 8294 B12R0.90 CCC(C)C(=O)NCCC(C)(C)C 240690a_100000738805_100011192722 [0,2,0,0,0,0|1,0,0]=3 8295 B12R0.90 CCC(C)C(=O)NCCC(C)(C)C 527a_100000738805_100011192722 [0,2,0,0,0,0|1,0,0]=3 8296 B12R0.90 CCC(C)C(=O)NCCC(C)(C)F 11a_100016253952_100011192722 [0,2,0,0,0,0|1,0,0]=3 8297 B12R0.90 CCC(C)C(=O)NCCC(C)(C)F 1626a_100016253952_100011192722 [0,2,0,0,0,0|1,0,0]=3 8298 B12R0.90 CCC(C)C(=O)NCCC(C)(C)F 240690a_100016253952_100011192722 [0,2,0,0,0,0|1,0,0]=3 8299 B12R0.90 CCC(C)C(=O)NCCC(C)(C)F 527a_100016253952_100011192722 [0,2,0,0,0,0|1,0,0]=3 8300 B12R0.90 CCC(C)C(=O)NCCC(C)(C)O 1626a_100000707701_100011192722 [0,2,0,0,0,0|1,0,0]=3 8301 B12R0.90 CCC(C)C(=O)NCCC(C)(C)O 527a_100000707701_100011192722 [0,2,0,0,0,0|1,0,0]=3 8302 B12R0.90 CCC(C)C(=O)NCC[N+](C)(C)C 1626a_100000106457_100011192722 [0,2,0,0,0,0|2,0,0]=4 8303 B12R0.90 CCC(C)C(=O)NCC[N+](C)(C)C 240690a_100000106457_100011192722 [0,2,0,0,0,0|2,0,0]=4 8304 B12R0.90 CCC(C)C(=O)NCC[N+](C)(C)C 527a_100000106457_100011192722 [0,2,0,0,0,0|2,0,0]=4 8305 B12R0.90 CCC(C)C(C)OCCC(C)(C)C 7a_100011215189_100000755188 [0,2,0,0,0,0|1,0,1]=4 8306 B12R0.90 CCC(C)C(C)OCCC(C)(C)O 7a_100011215189_100000702414 [0,2,0,0,0,0|1,0,1]=4 8307 B12R0.90 CCC(O)C(=O)CCC[N+](C)(C)C 1458a_100011196387_100016990835 [0,2,0,0,0,0|2,0,0]=4 8308 B12R0.90 CCC(O)C(=O)CCC[Si](C)(C)C 1458a_100011196387_100011219597 [0,2,0,0,0,0|1,1,0]=4 8309 B12R0.90 CCC(O)C(=O)NCCC(C)(C)C 240690a_100000738805_100011196387 [0,2,0,0,0,0|1,0,0]=3 8310 B12R0.90 CCC(O)C(=O)NCCC(C)(C)F 240690a_100016253952_100011196387 [0,2,0,0,0,0|1,0,0]=3 8311 B12R0.90 CCC(O)C(=O)NCC[N+](C)(C)C 240690a_100000106457_100011196387 [0,2,0,0,0,0|2,0,0]=4 8312 B12R0.90 CCN(C)C(=O)NCCC(C)(C)C 2708a_100000738805_100000225621 [0,2,0,0,0,0|2,0,0]=4 8313 B12R0.90 CCN(C)C(=O)NCCC(C)(C)C 273464a_100000738805_100000225621 [0,2,0,0,0,0|2,0,0]=4 8314 B12R0.90 CCN(C)C(=O)NCCC(C)(C)F 2708a_100016253952_100000225621 [0,2,0,0,0,0|2,0,0]=4 8315 B12R0.90 CCN(C)C(=O)NCCC(C)(C)F 273464a_100016253952_100000225621 [0,2,0,0,0,0|2,0,0]=4 8316 B12R0.90 CCN(C)C(=O)NCCC(C)(C)O 2708a_100000707701_100000225621 [0,2,0,0,0,0|2,0,0]=4 8317 B12R0.90 CCN(C)C(=O)NCCC(C)(C)O 273464a_100000707701_100000225621 [0,2,0,0,0,0|2,0,0]=4 8318 B12R0.90 COC(C)C(=O)NCCC(C)(C)C 11a_100000738805_100000743197 [0,2,0,0,0,0|2,0,0]=4 8319 B12R0.90 COC(C)C(=O)NCCC(C)(C)C 1626a_100000738805_100000743197 [0,2,0,0,0,0|2,0,0]=4 8320 B12R0.90 COC(C)C(=O)NCCC(C)(C)C 240690a_100000738805_100000743197 [0,2,0,0,0,0|2,0,0]=4 8321 B12R0.90 COC(C)C(=O)NCCC(C)(C)C 527a_100000738805_100000743197 [0,2,0,0,0,0|2,0,0]=4 8322 B12R0.90 COC(C)C(=O)NCCC(C)(C)F 11a_100016253952_100000743197 [0,2,0,0,0,0|2,0,0]=4 8323 B12R0.90 COC(C)C(=O)NCCC(C)(C)F 1626a_100016253952_100000743197 [0,2,0,0,0,0|2,0,0]=4 8324 B12R0.90 COC(C)C(=O)NCCC(C)(C)F 240690a_100016253952_100000743197 [0,2,0,0,0,0|2,0,0]=4 8325 B12R0.90 COC(C)C(=O)NCCC(C)(C)F 527a_100016253952_100000743197 [0,2,0,0,0,0|2,0,0]=4 8326 B12R0.90 COC(C)C(=O)NCCC(C)(C)O 1626a_100000707701_100000743197 [0,2,0,0,0,0|2,0,0]=4 8327 B12R0.90 COC(C)C(=O)NCCC(C)(C)O 527a_100000707701_100000743197 [0,2,0,0,0,0|2,0,0]=4 8328 B12R0.90 CSC(C)C(=O)NCCC(C)(C)C 11a_100000738805_100000149566 [0,2,0,0,0,0|2,0,0]=4 8329 B12R0.90 CSC(C)C(=O)NCCC(C)(C)C 1626a_100000738805_100000149566 [0,2,0,0,0,0|2,0,0]=4 8330 B12R0.90 CSC(C)C(=O)NCCC(C)(C)C 240690a_100000738805_100000149566 [0,2,0,0,0,0|2,0,0]=4 8331 B12R0.90 CSC(C)C(=O)NCCC(C)(C)C 527a_100000738805_100000149566 [0,2,0,0,0,0|2,0,0]=4 8332 B12R0.90 CSC(C)C(=O)NCCC(C)(C)F 11a_100016253952_100000149566 [0,2,0,0,0,0|2,0,0]=4 8333 B12R0.90 CSC(C)C(=O)NCCC(C)(C)F 1626a_100016253952_100000149566 [0,2,0,0,0,0|2,0,0]=4 8334 B12R0.90 CSC(C)C(=O)NCCC(C)(C)F 240690a_100016253952_100000149566 [0,2,0,0,0,0|2,0,0]=4 8335 B12R0.90 CSC(C)C(=O)NCCC(C)(C)F 527a_100016253952_100000149566 [0,2,0,0,0,0|2,0,0]=4 8336 B12R0.90 CSC(C)C(=O)NCCC(C)(C)O 1626a_100000707701_100000149566 [0,2,0,0,0,0|2,0,0]=4 8337 B12R0.90 CSC(C)C(=O)NCCC(C)(C)O 527a_100000707701_100000149566 [0,2,0,0,0,0|2,0,0]=4 8338 B12R0.156 CC(CO)CCNC(=O)C(O)CO 240690a_106354213184_100011215603 [0,2,0,0,0,0|2,0,0]=4 8339 B12R0.156 CCC(C)C(=O)CCCN(C)CC 1458a_100011192722_100015186262 [0,2,0,0,0,0|2,0,0]=4 8340 B12R0.156 CCC(C)C(=O)NCCC(C)CO 240690a_106354213184_100011192722 [0,2,0,0,0,0|1,0,0]=3 8341 B12R0.156 CCC(C)C(=O)NCCC(C)CO 527a_106354213184_100011192722 [0,2,0,0,0,0|1,0,0]=3 8342 B12R0.156 CCC(C)CCNC(=O)C(C)CC 11a_100020591266_100011192722 [0,2,0,0,0,0|1,0,0]=3 8343 B12R0.156 CCC(C)CCNC(=O)C(C)CC 1626a_100020591266_100011192722 [0,2,0,0,0,0|1,0,0]=3 8344 B12R0.156 CCC(C)CCNC(=O)C(C)CC 240690a_100020591266_100011192722 [0,2,0,0,0,0|1,0,0]=3 8345 B12R0.156 CCC(C)CCNC(=O)C(C)CC 527a_100020591266_100011192722 [0,2,0,0,0,0|1,0,0]=3 8346 B12R0.156 CCC(C)CCNC(=O)C(C)OC 11a_100020591266_100000743197 [0,2,0,0,0,0|2,0,0]=4 8347 B12R0.156 CCC(C)CCNC(=O)C(C)OC 1626a_100020591266_100000743197 [0,2,0,0,0,0|2,0,0]=4 8348 B12R0.156 CCC(C)CCNC(=O)C(C)OC 240690a_100020591266_100000743197 [0,2,0,0,0,0|2,0,0]=4 8349 B12R0.156 CCC(C)CCNC(=O)C(C)OC 527a_100020591266_100000743197 [0,2,0,0,0,0|2,0,0]=4 8350 B12R0.156 CCC(C)CCNC(=O)C(C)SC 11a_100020591266_100000149566 [0,2,0,0,0,0|2,0,0]=4 8351 B12R0.156 CCC(C)CCNC(=O)C(C)SC 1626a_100020591266_100000149566 [0,2,0,0,0,0|2,0,0]=4 8352 B12R0.156 CCC(C)CCNC(=O)C(C)SC 240690a_100020591266_100000149566 [0,2,0,0,0,0|2,0,0]=4 8353 B12R0.156 CCC(C)CCNC(=O)C(C)SC 527a_100020591266_100000149566 [0,2,0,0,0,0|2,0,0]=4 8354 B12R0.156 CCC(C)CCNC(=O)C(O)CC 240690a_100020591266_100011196387 [0,2,0,0,0,0|1,0,0]=3 8355 B12R0.156 CCC(C)CCNC(=O)C(O)CO 240690a_100020591266_100011215603 [0,2,0,0,0,0|2,0,0]=4 8356 B12R0.156 CCC(C)CCNC(=O)N(C)CC 2708a_100020591266_100000225621 [0,2,0,0,0,0|2,0,0]=4 8357 B12R0.156 CCC(C)CCNC(=O)N(C)CC 273464a_100020591266_100000225621 [0,2,0,0,0,0|2,0,0]=4 8358 B12R0.156 CCC(O)C(=O)CCCN(C)CC 1458a_100011196387_100015186262 [0,2,0,0,0,0|2,0,0]=4 8359 B12R0.156 CCC(O)C(=O)NCCC(C)CO 240690a_106354213184_100011196387 [0,2,0,0,0,0|1,0,0]=3 8360 B12R0.156 CCN(C)C(=O)NCCC(C)CO 273464a_106354213184_100000225621 [0,2,0,0,0,0|2,0,0]=4 8361 B12R0.156 COC(C)C(=O)NCCC(C)CO 240690a_106354213184_100000743197 [0,2,0,0,0,0|2,0,0]=4 8362 B12R0.156 COC(C)C(=O)NCCC(C)CO 527a_106354213184_100000743197 [0,2,0,0,0,0|2,0,0]=4 8363 B12R0.156 CSC(C)C(=O)NCCC(C)CO 240690a_106354213184_100000149566 [0,2,0,0,0,0|2,0,0]=4 8364 B12R0.156 CSC(C)C(=O)NCCC(C)CO 527a_106354213184_100000149566 [0,2,0,0,0,0|2,0,0]=4 8365 B12R0.349 CC(C)CCCC(=O)C(C)(C)CF 1458a_100000138116_100011214892 [0,2,0,0,0,0|2,0,0]=4 8366 B12R0.349 CC(C)CCCC(=O)C(C)(C)CO 1458a_100000749806_100011214892 [0,2,0,0,0,0|2,0,0]=4 8367 B12R0.349 CC(C)CCNC(=O)C(C)(C)CF 11a_100000210545_100000138116 [0,2,0,0,0,0|2,0,0]=4 8368 B12R0.349 CC(C)CCNC(=O)C(C)(C)CF 1626a_100000210545_100000138116 [0,2,0,0,0,0|2,0,0]=4 8369 B12R0.349 CC(C)CCNC(=O)C(C)(C)CF 240690a_100000210545_100000138116 [0,2,0,0,0,0|2,0,0]=4 8370 B12R0.349 CC(C)CCNC(=O)C(C)(C)CF 527a_100000210545_100000138116 [0,2,0,0,0,0|2,0,0]=4 8371 B12R0.349 CC(C)CCNC(=O)C(C)(C)CO 1626a_100000210545_100000749806 [0,2,0,0,0,0|2,0,0]=4 8372 B12R0.349 CC(C)CCNC(=O)C(C)(C)CO 240690a_100000210545_100000749806 [0,2,0,0,0,0|2,0,0]=4 8373 B12R0.349 CC(C)CCNC(=O)C(C)(C)CO 527a_100000210545_100000749806 [0,2,0,0,0,0|2,0,0]=4 8374 B12R0.349 CCC(C)(C)C(=O)CCCC(C)C 1458a_100000749717_100011214892 [0,2,0,0,0,0|1,0,0]=3 8375 B12R0.349 CCC(C)(C)C(=O)CCCC(C)O 1458a_100000749717_200000718107 [0,2,0,0,0,0|2,0,0]=4 8376 B12R0.349 CCC(C)(C)C(=O)CCCN(C)C 1458a_100000749717_100000695564 [0,2,0,0,0,0|2,0,0]=4 8377 B12R0.349 CCC(C)(C)C(=O)CCOC(C)C 1458a_100000749717_100000211751 [0,2,0,0,0,0|2,0,0]=4 8378 B12R0.349 CCC(C)(C)C(=O)CCSC(C)C 1458a_100000749717_100000730970 [0,2,0,0,0,0|2,0,0]=4 8379 B12R0.349 CCC(C)(C)C(=O)NCCC(C)C 11a_100000210545_100000749717 [0,2,0,0,0,0|1,0,0]=3 8380 B12R0.349 CCC(C)(C)C(=O)NCCC(C)C 1626a_100000210545_100000749717 [0,2,0,0,0,0|1,0,0]=3 8381 B12R0.349 CCC(C)(C)C(=O)NCCC(C)C 240690a_100000210545_100000749717 [0,2,0,0,0,0|1,0,0]=3 8382 B12R0.349 CCC(C)(C)C(=O)NCCC(C)C 527a_100000210545_100000749717 [0,2,0,0,0,0|1,0,0]=3 8383 B12R0.349 CCC(C)(C)C(=O)NCCC(C)O 240690a_200000755665_100000749717 [0,2,0,0,0,0|2,0,0]=4 8384 B12R0.349 CCC(C)(C)C(=O)NCCC(C)O 527a_200000755665_100000749717 [0,2,0,0,0,0|2,0,0]=4 8385 B12R0.349 CCC(C)(C)C(=O)NCCN(C)C 240690a_100000210585_100000749717 [0,2,0,0,0,0|2,0,0]=4 8386 B12R0.349 CCC(C)(C)C(=O)NCCN(C)C 527a_100000210585_100000749717 [0,2,0,0,0,0|2,0,0]=4 8387 B12R0.349 CCC(C)(C)C(=O)NNCC(C)C 22a_100000696102_100000749717 [0,2,0,0,0,0|2,0,0]=4 8388 B12R0.349 CCC(C)(O)C(=O)CCCC(C)C 1458a_100011219770_100011214892 [0,2,0,0,0,0|1,0,0]=3 8389 B12R0.349 CCC(C)(O)C(=O)CCCC(C)O 1458a_100011219770_200000718107 [0,2,0,0,0,0|2,0,0]=4 8390 B12R0.349 CCC(C)(O)C(=O)CCCN(C)C 1458a_100011219770_100000695564 [0,2,0,0,0,0|2,0,0]=4 8391 B12R0.349 CCC(C)(O)C(=O)CCOC(C)C 1458a_100011219770_100000211751 [0,2,0,0,0,0|2,0,0]=4 8392 B12R0.349 CCC(C)(O)C(=O)CCSC(C)C 1458a_100011219770_100000730970 [0,2,0,0,0,0|2,0,0]=4 8393 B12R0.349 CCC(C)(O)C(=O)NCCC(C)C 240690a_100000210545_100011219770 [0,2,0,0,0,0|1,0,0]=3 8394 B12R0.349 CCC(C)(O)C(=O)NCCC(C)O 240690a_200000755665_100011219770 [0,2,0,0,0,0|2,0,0]=4 8395 B12R0.349 CCC(C)(O)C(=O)NCCN(C)C 240690a_100000210585_100011219770 [0,2,0,0,0,0|2,0,0]=4 8396 B12R0.349 CCC(C)(O)C(=O)NNCC(C)C 22a_100000696102_100011219770 [0,2,0,0,0,0|2,0,0]=4 8397 B12R0.349 CCC(F)(F)C(=O)CCCC(C)C 1458a_100000061896_100011214892 [0,2,0,0,0,0|1,0,0]=3 8398 B12R0.349 CCC(F)(F)C(=O)CCCC(C)O 1458a_100000061896_200000718107 [0,2,0,0,0,0|2,0,0]=4 8399 B12R0.349 CCC(F)(F)C(=O)CCCN(C)C 1458a_100000061896_100000695564 [0,2,0,0,0,0|2,0,0]=4 8400 B12R0.349 CCC(F)(F)C(=O)CCOC(C)C 1458a_100000061896_100000211751 [0,2,0,0,0,0|2,0,0]=4 8401 B12R0.349 CCC(F)(F)C(=O)CCSC(C)C 1458a_100000061896_100000730970 [0,2,0,0,0,0|2,0,0]=4 8402 B12R0.349 CCC(F)(F)C(=O)NCCC(C)C 11a_100000210545_100000061896 [0,2,0,0,0,0|1,0,0]=3 8403 B12R0.349 CCC(F)(F)C(=O)NCCC(C)C 1626a_100000210545_100000061896 [0,2,0,0,0,0|1,0,0]=3 8404 B12R0.349 CCC(F)(F)C(=O)NCCC(C)C 240690a_100000210545_100000061896 [0,2,0,0,0,0|1,0,0]=3 8405 B12R0.349 CCC(F)(F)C(=O)NCCC(C)C 527a_100000210545_100000061896 [0,2,0,0,0,0|1,0,0]=3 8406 B12R0.349 CCC(F)(F)C(=O)NCCC(C)O 240690a_200000755665_100000061896 [0,2,0,0,0,0|2,0,0]=4 8407 B12R0.349 CCC(F)(F)C(=O)NCCC(C)O 527a_200000755665_100000061896 [0,2,0,0,0,0|2,0,0]=4 8408 B12R0.349 CCC(F)(F)C(=O)NCCN(C)C 240690a_100000210585_100000061896 [0,2,0,0,0,0|2,0,0]=4 8409 B12R0.349 CCC(F)(F)C(=O)NCCN(C)C 527a_100000210585_100000061896 [0,2,0,0,0,0|2,0,0]=4 8410 B12R0.349 CCC(F)(F)C(=O)NNCC(C)C 22a_100000696102_100000061896 [0,2,0,0,0,0|2,0,0]=4 8411 B12R0.349 COC(C)(C)C(=O)CCCC(C)C 1458a_100000753492_100011214892 [0,2,0,0,0,0|2,0,0]=4 8412 B12R0.349 COC(C)(C)C(=O)NCCC(C)C 11a_100000210545_100000753492 [0,2,0,0,0,0|2,0,0]=4 8413 B12R0.349 COC(C)(C)C(=O)NCCC(C)C 1626a_100000210545_100000753492 [0,2,0,0,0,0|2,0,0]=4 8414 B12R0.349 COC(C)(C)C(=O)NCCC(C)C 240690a_100000210545_100000753492 [0,2,0,0,0,0|2,0,0]=4 8415 B12R0.349 COC(C)(C)C(=O)NCCC(C)C 527a_100000210545_100000753492 [0,2,0,0,0,0|2,0,0]=4 8416 B12R0.677 CCC(CC)C(=O)CCCC(C)C 1458a_100000211163_100011214892 [0,2,0,0,0,0|1,0,0]=3 8417 B12R0.677 CCC(CC)C(=O)CCCC(C)C 1458a_100011216857_100000210505 [0,2,0,0,0,0|1,0,0]=3 8418 B12R0.677 CCC(CC)C(=O)CCCC(C)O 1458a_100000211163_200000718107 [0,2,0,0,0,0|2,0,0]=4 8419 B12R0.677 CCC(CC)C(=O)CCCN(C)C 1458a_100000211163_100000695564 [0,2,0,0,0,0|2,0,0]=4 8420 B12R0.677 CCC(CC)C(=O)CCOC(C)C 1458a_100000211163_100000211751 [0,2,0,0,0,0|2,0,0]=4 8421 B12R0.677 CCC(CC)C(=O)CCSC(C)C 1458a_100000211163_100000730970 [0,2,0,0,0,0|2,0,0]=4 8422 B12R0.677 CCC(CC)C(=O)COCC(C)C 1458a_100011223364_100000210505 [0,2,0,0,0,0|2,0,0]=4 8423 B12R0.677 CCC(CC)C(=O)NCCC(C)C 11a_100000210545_100000211163 [0,2,0,0,0,0|1,0,0]=3 8424 B12R0.677 CCC(CC)C(=O)NCCC(C)C 1626a_100000210545_100000211163 [0,2,0,0,0,0|1,0,0]=3 8425 B12R0.677 CCC(CC)C(=O)NCCC(C)C 240690a_100000210545_100000211163 [0,2,0,0,0,0|1,0,0]=3 8426 B12R0.677 CCC(CC)C(=O)NCCC(C)C 527a_100000210545_100000211163 [0,2,0,0,0,0|1,0,0]=3 8427 B12R0.677 CCC(CC)C(=O)NCCC(C)O 240690a_200000755665_100000211163 [0,2,0,0,0,0|2,0,0]=4 8428 B12R0.677 CCC(CC)C(=O)NCCC(C)O 527a_200000755665_100000211163 [0,2,0,0,0,0|2,0,0]=4 8429 B12R0.677 CCC(CC)C(=O)NCCN(C)C 240690a_100000210585_100000211163 [0,2,0,0,0,0|2,0,0]=4 8430 B12R0.677 CCC(CC)C(=O)NCCN(C)C 527a_100000210585_100000211163 [0,2,0,0,0,0|2,0,0]=4 8431 B12R0.677 CCC(CC)C(=O)NNCC(C)C 22a_100000696102_100000211163 [0,2,0,0,0,0|2,0,0]=4 8432 B12R0.677 CCC(CC)C(=O)OCNC(C)C 2230a_100138425928_100000140015 [0,2,0,0,0,0|1,0,0]=3 8433 B12R0.677 CCC(CC)C(=O)OCNC(C)C 34a_100138425928_100000140015 [0,2,0,0,0,0|1,0,0]=3 8434 B12R0.677 CCC(CC)C(=O)OCOC(C)C 34a_100000212225_100000140015 [0,2,0,0,0,0|1,0,0]=3 8435 B12R0.677 CCC(CC)C(=O)OCSC(C)C 62a_100000140015_100000210206 [0,2,0,0,0,0|1,0,0]=3 8436 B12R0.677 CCC(CC)C(=O)OCSC(C)C 62a_100000210206_100000140015 [0,2,0,0,0,0|1,0,0]=3 8437 B12R0.677 CCC(NC)C(=O)NCCC(C)C 2230a_106832991635_200011763481 [0,2,0,0,0,0|1,0,0]=3 8438 B12R0.677 CCC(NC)C(=O)NCCC(C)C 34a_100102657272_200011763481 [0,2,0,0,0,0|1,0,0]=3 8439 B12R0.677 CCC(NC)C(=O)NCCC(C)C 7a_106832991635_200011763481 [0,2,0,0,0,0|1,0,0]=3 8440 B12R0.677 CCC(OC)C(=O)CCCC(C)C 1458a_100000747056_100011214892 [0,2,0,0,0,0|1,0,0]=3 8441 B12R0.677 CCC(OC)C(=O)CCCC(C)O 1458a_100000747056_200000718107 [0,2,0,0,0,0|2,0,0]=4 8442 B12R0.677 CCC(OC)C(=O)CCCN(C)C 1458a_100000747056_100000695564 [0,2,0,0,0,0|2,0,0]=4 8443 B12R0.677 CCC(OC)C(=O)CCOC(C)C 1458a_100000747056_100000211751 [0,2,0,0,0,0|2,0,0]=4 8444 B12R0.677 CCC(OC)C(=O)CCSC(C)C 1458a_100000747056_100000730970 [0,2,0,0,0,0|2,0,0]=4 8445 B12R0.677 CCC(OC)C(=O)NCCC(C)C 11a_100000210545_100000747056 [0,2,0,0,0,0|1,0,0]=3 8446 B12R0.677 CCC(OC)C(=O)NCCC(C)C 1626a_100000210545_100000747056 [0,2,0,0,0,0|1,0,0]=3 8447 B12R0.677 CCC(OC)C(=O)NCCC(C)C 240690a_100000210545_100000747056 [0,2,0,0,0,0|1,0,0]=3 8448 B12R0.677 CCC(OC)C(=O)NCCC(C)C 34a_100138415774_200011763481 [0,2,0,0,0,0|1,0,0]=3 8449 B12R0.677 CCC(OC)C(=O)NCCC(C)C 527a_100000210545_100000747056 [0,2,0,0,0,0|1,0,0]=3 8450 B12R0.677 CCC(OC)C(=O)NCCC(C)O 240690a_200000755665_100000747056 [0,2,0,0,0,0|2,0,0]=4 8451 B12R0.677 CCC(OC)C(=O)NCCC(C)O 527a_200000755665_100000747056 [0,2,0,0,0,0|2,0,0]=4 8452 B12R0.677 CCC(OC)C(=O)NCCN(C)C 240690a_100000210585_100000747056 [0,2,0,0,0,0|2,0,0]=4 8453 B12R0.677 CCC(OC)C(=O)NCCN(C)C 527a_100000210585_100000747056 [0,2,0,0,0,0|2,0,0]=4 8454 B12R0.677 CCC(OC)C(=O)NNCC(C)C 22a_100000696102_100000747056 [0,2,0,0,0,0|2,0,0]=4 8455 B12R0.677 CCC(SC)C(=O)NCCC(C)C 62a_200000210301_200011763481 [0,2,0,0,0,0|1,0,0]=3 8456 B12R0.677 CCC(SC)C(=O)NCCC(C)C 62a_200011763481_200000210301 [0,2,0,0,0,0|1,0,0]=3 8457 B12R0.677 CCC(S[13CH3])C(=O)NCCC(C)C 62a_200011763481_200025704644 [0,2,0,0,0,0|1,0,0]=3 8458 B12R0.677 CCC(S[13CH3])C(=O)NCCC(C)C 62a_200025704644_200011763481 [0,2,0,0,0,0|1,0,0]=3 8459 B12R0.677 CCN(CC)C(=O)CCCC(C)C 11a_100000724800_100011216857 [0,2,0,0,0,0|2,0,0]=4 8460 B12R0.677 CCN(CC)C(=O)CCCC(C)C 1626a_100000724800_100011216857 [0,2,0,0,0,0|2,0,0]=4 8461 B12R0.677 CCN(CC)C(=O)CCCC(C)C 240690a_100000724800_100011216857 [0,2,0,0,0,0|2,0,0]=4 8462 B12R0.677 CCN(CC)C(=O)CCCC(C)C 527a_100000724800_100011216857 [0,2,0,0,0,0|2,0,0]=4 8463 B12R0.677 CCN(CC)C(=O)NCCC(C)C 2708a_100000210545_100000724800 [0,2,0,0,0,0|2,0,0]=4 8464 B12R0.677 CCN(CC)C(=O)NCCC(C)C 273464a_100000210545_100000724800 [0,2,0,0,0,0|2,0,0]=4 8465 B12R0.677 CCN(CC)C(=O)OCNC(C)C 2230a_100138425928_100000140013 [0,2,0,0,0,0|2,0,0]=4 8466 B12R0.677 CCN(CC)C(=O)OCSC(C)C 62a_100000210206_100000140013 [0,2,0,0,0,0|2,0,0]=4 8467 B12R0.677 COC(OC)C(=O)CCCC(C)C 1458a_100000046285_100011214892 [0,2,0,0,0,0|2,0,0]=4 8468 B12R0.677 COC(OC)C(=O)NCCC(C)C 11a_100000210545_100000046285 [0,2,0,0,0,0|2,0,0]=4 8469 B12R0.677 COC(OC)C(=O)NCCC(C)C 240690a_100000210545_100000046285 [0,2,0,0,0,0|2,0,0]=4 8470 B12R0.677 COC(OC)C(=O)NCCC(C)C 527a_100000210545_100000046285 [0,2,0,0,0,0|2,0,0]=4 8471 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_100011216857_100000730704 [0,2,0,0,0,0|1,0,0]=3 8472 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_200000688413_100011214892 [0,2,0,0,0,0|1,0,0]=3 8473 B12R0.44 C=C(C)CCC(=O)CCCC(C)O 1458a_200000688413_200000718107 [0,2,0,0,0,0|2,0,0]=4 8474 B12R0.44 C=C(C)CCC(=O)CCCN(C)C 1458a_200000688413_100000695564 [0,2,0,0,0,0|2,0,0]=4 8475 B12R0.44 C=C(C)CCC(=O)CCOC(C)C 1458a_200000688413_100000211751 [0,2,0,0,0,0|2,0,0]=4 8476 B12R0.44 C=C(C)CCC(=O)CCSC(C)C 1458a_200000688413_100000730970 [0,2,0,0,0,0|2,0,0]=4 8477 B12R0.44 C=C(C)CCC(=O)COCC(C)C 1458a_100011223364_100000730704 [0,2,0,0,0,0|2,0,0]=4 8478 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 11a_100000210545_200000688413 [0,2,0,0,0,0|1,0,0]=3 8479 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 1626a_100000210545_200000688413 [0,2,0,0,0,0|1,0,0]=3 8480 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 240690a_100000210545_200000688413 [0,2,0,0,0,0|1,0,0]=3 8481 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 527a_100000210545_200000688413 [0,2,0,0,0,0|1,0,0]=3 8482 B12R0.44 C=C(C)CCC(=O)NCCC(C)O 240690a_200000755665_200000688413 [0,2,0,0,0,0|2,0,0]=4 8483 B12R0.44 C=C(C)CCC(=O)NCCC(C)O 527a_200000755665_200000688413 [0,2,0,0,0,0|2,0,0]=4 8484 B12R0.44 C=C(C)CCC(=O)NCCN(C)C 240690a_100000210585_200000688413 [0,2,0,0,0,0|2,0,0]=4 8485 B12R0.44 C=C(C)CCC(=O)NCCN(C)C 527a_100000210585_200000688413 [0,2,0,0,0,0|2,0,0]=4 8486 B12R0.44 C=C(C)CCC(=O)NNCC(C)C 22a_100000696102_200000688413 [0,2,0,0,0,0|2,0,0]=4 8487 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 11a_100000765925_100011216857 [0,2,0,0,0,0|1,0,1]=4 8488 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 1626a_100000765925_100011216857 [0,2,0,0,0,0|1,0,1]=4 8489 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 240690a_100000765925_100011216857 [0,2,0,0,0,0|1,0,1]=4 8490 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 527a_100000765925_100011216857 [0,2,0,0,0,0|1,0,1]=4 8491 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 2708a_100000210545_100000765925 [0,2,0,0,0,0|1,0,1]=4 8492 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 2708a_100000765925_100000210545 [0,2,0,0,0,0|1,0,1]=4 8493 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 273464a_100000210545_100000765925 [0,2,0,0,0,0|1,0,1]=4 8494 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 273464a_100000765925_100000210545 [0,2,0,0,0,0|1,0,1]=4 8495 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 512a_100000210545_100000765925 [0,2,0,0,0,0|1,0,1]=4 8496 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 512a_100000765925_100000210545 [0,2,0,0,0,0|1,0,1]=4 8497 B12R0.44 CC(=CCC(=O)CCCC(C)C)C 1458a_100011216857_100000761012 [0,2,0,0,0,0|1,0,1]=4 8498 B12R0.44 CC(=CCC(=O)CCCC(C)C)C 1458a_100011220947_100011214892 [0,2,0,0,0,0|1,0,1]=4 8499 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 11a_100000210545_100011220947 [0,2,0,0,0,0|1,0,1]=4 8500 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 1626a_100000210545_100011220947 [0,2,0,0,0,0|1,0,1]=4 8501 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 240690a_100000210545_100011220947 [0,2,0,0,0,0|1,0,1]=4 8502 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 527a_100000210545_100011220947 [0,2,0,0,0,0|1,0,1]=4 8503 B12R0.44 CC(=O)NCC(=O)CCCC(C)C 1458a_100000194580_100011214892 [0,2,0,0,0,0|1,0,1]=4 8504 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 11a_100000210545_100000194580 [0,2,0,0,0,0|1,0,1]=4 8505 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 1626a_100000210545_100000194580 [0,2,0,0,0,0|1,0,1]=4 8506 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 240690a_100000210545_100000194580 [0,2,0,0,0,0|1,0,1]=4 8507 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 527a_100000210545_100000194580 [0,2,0,0,0,0|1,0,1]=4 8508 B12R0.44 CC(=O)OCC(=O)CCCC(C)C 1458a_100000183556_100011214892 [0,2,0,0,0,0|1,0,1]=4 8509 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 1626a_100000210545_100000183556 [0,2,0,0,0,0|1,0,1]=4 8510 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 240690a_100000210545_100000183556 [0,2,0,0,0,0|1,0,1]=4 8511 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 527a_100000210545_100000183556 [0,2,0,0,0,0|1,0,1]=4 8512 B12R0.44 CC(=O)SCC(=O)CCCC(C)C 1458a_100000049016_100011214892 [0,2,0,0,0,0|1,0,1]=4 8513 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 11a_100000210545_100000049016 [0,2,0,0,0,0|1,0,1]=4 8514 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 1626a_100000210545_100000049016 [0,2,0,0,0,0|1,0,1]=4 8515 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 240690a_100000210545_100000049016 [0,2,0,0,0,0|1,0,1]=4 8516 B12R0.44 CC(C)C=CC(=O)CCCC(C)C 1458a_100016268746_100011214892 [0,2,0,0,0,0|1,0,1]=4 8517 B12R0.44 CC(C)C=CC(=O)NCCC(C)C 11a_100000210545_100016268746 [0,2,0,0,0,0|1,0,1]=4 8518 B12R0.44 CC(C)C=CC(=O)NCCC(C)C 1626a_100000210545_100016268746 [0,2,0,0,0,0|1,0,1]=4 8519 B12R0.44 CC(C)C=CC(=O)NCCC(C)C 240690a_100000210545_100016268746 [0,2,0,0,0,0|1,0,1]=4 8520 B12R0.44 CC(C)CCC(=O)CCCC(C)O 1458a_100000181311_200000718107 [0,2,0,0,0,0|2,0,0]=4 8521 B12R0.44 CC(C)CCC(=O)CCCN(C)C 1458a_100000181311_100000695564 [0,2,0,0,0,0|2,0,0]=4 8522 B12R0.44 CC(C)CCC(=O)CCOC(C)C 1458a_100000181311_100000211751 [0,2,0,0,0,0|2,0,0]=4 8523 B12R0.44 CC(C)CCC(=O)CCSC(C)C 1458a_100000181311_100000730970 [0,2,0,0,0,0|2,0,0]=4 8524 B12R0.44 CC(C)CCC(=O)COCC(C)C 1458a_100011223364_100000210312 [0,2,0,0,0,0|2,0,0]=4 8525 B12R0.44 CC(C)CCC(=O)NCCC(C)O 240690a_200000755665_100000181311 [0,2,0,0,0,0|2,0,0]=4 8526 B12R0.44 CC(C)CCC(=O)NCCC(C)O 527a_200000755665_100000181311 [0,2,0,0,0,0|2,0,0]=4 8527 B12R0.44 CC(C)CCC(=O)NCCN(C)C 240690a_100000210585_100000181311 [0,2,0,0,0,0|2,0,0]=4 8528 B12R0.44 CC(C)CCC(=O)NCCN(C)C 527a_100000210585_100000181311 [0,2,0,0,0,0|2,0,0]=4 8529 B12R0.44 CC(C)CCC(=O)NNCC(C)C 22a_100000696102_100000181311 [0,2,0,0,0,0|2,0,0]=4 8530 B12R0.44 CC(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100011214892 [0,2,0,0,0,0|1,0,1]=4 8531 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100000181311_100011214892 [0,2,0,0,0,0|1,0,0]=3 8532 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100011216857_100000210312 [0,2,0,0,0,0|1,0,0]=3 8533 B12R0.44 CC(C)CCCC(=O)CCC(C)O 1458a_100011216857_100012276601 [0,2,0,0,0,0|1,0,0]=3 8534 B12R0.44 CC(C)CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011214892 [0,2,0,0,0,0|2,0,0]=4 8535 B12R0.44 CC(C)CCCC(=O)CC[S+](C)C 1458a_100009452791_100011214892 [0,2,0,0,0,0|1,0,0]=3 8536 B12R0.44 CC(C)CCCC(=O)COC(C)C 1458a_100000745533_100011214892 [0,2,0,0,0,0|1,0,0]=3 8537 B12R0.44 CC(C)CCCC(=O)COC(F)F 1458a_200000719455_100011214892 [0,2,0,0,0,0|2,0,0]=4 8538 B12R0.44 CC(C)CCCC(=O)CSC(C)C 1458a_100000241585_100011214892 [0,2,0,0,0,0|1,0,0]=3 8539 B12R0.44 CC(C)CCCC(=O)CSC(F)F 1458a_114828291038_100011214892 [0,2,0,0,0,0|2,0,0]=4 8540 B12R0.44 CC(C)CCCC(=O)NCC(C)C 11a_100000210953_100011216857 [0,2,0,0,0,0|1,0,0]=3 8541 B12R0.44 CC(C)CCCC(=O)NCC(C)C 1626a_100000210953_100011216857 [0,2,0,0,0,0|1,0,0]=3 8542 B12R0.44 CC(C)CCCC(=O)NCC(C)C 240690a_100000210953_100011216857 [0,2,0,0,0,0|1,0,0]=3 8543 B12R0.44 CC(C)CCCC(=O)NCC(C)C 527a_100000210953_100011216857 [0,2,0,0,0,0|1,0,0]=3 8544 B12R0.44 CC(C)CCCC(=O)NCC(C)O 11a_100000210904_100011216857 [0,2,0,0,0,0|1,0,0]=3 8545 B12R0.44 CC(C)CCCC(=O)NCC(C)O 240690a_100000210904_100011216857 [0,2,0,0,0,0|1,0,0]=3 8546 B12R0.44 CC(C)CCCC(=O)NCC(C)O 527a_100000210904_100011216857 [0,2,0,0,0,0|1,0,0]=3 8547 B12R0.44 CC(C)CCCC(=O)NCC(F)F 11a_100000765723_100011216857 [0,2,0,0,0,0|2,0,0]=4 8548 B12R0.44 CC(C)CCCC(=O)NCC(F)F 1626a_100000765723_100011216857 [0,2,0,0,0,0|2,0,0]=4 8549 B12R0.44 CC(C)CCCC(=O)NCC(F)F 240690a_100000765723_100011216857 [0,2,0,0,0,0|2,0,0]=4 8550 B12R0.44 CC(C)CCCC(=O)NCC(F)F 527a_100000765723_100011216857 [0,2,0,0,0,0|2,0,0]=4 8551 B12R0.44 CC(C)CCCC(=O)NNC(C)C 22a_100000741168_100011216857 [0,2,0,0,0,0|2,0,0]=4 8552 B12R0.44 CC(C)CCNC(=O)CCC(=O)N 240690a_100000210545_100011215257 [0,2,0,0,0,0|1,0,1]=4 8553 B12R0.44 CC(C)CCNC(=O)CCC(=O)N 527a_100000210545_100011215257 [0,2,0,0,0,0|1,0,1]=4 8554 B12R0.44 CC(C)CCNC(=O)CCC(C)C 11a_100000210545_100000181311 [0,2,0,0,0,0|1,0,0]=3 8555 B12R0.44 CC(C)CCNC(=O)CCC(C)C 1626a_100000210545_100000181311 [0,2,0,0,0,0|1,0,0]=3 8556 B12R0.44 CC(C)CCNC(=O)CCC(C)C 240690a_100000210545_100000181311 [0,2,0,0,0,0|1,0,0]=3 8557 B12R0.44 CC(C)CCNC(=O)CCC(C)C 527a_100000210545_100000181311 [0,2,0,0,0,0|1,0,0]=3 8558 B12R0.44 CC(C)CCNC(=O)CCC(C)O 1626a_100000210545_100000718519 [0,2,0,0,0,0|1,0,0]=3 8559 B12R0.44 CC(C)CCNC(=O)CCN(C)C 11a_100000210545_100000689311 [0,2,0,0,0,0|1,0,0]=3 8560 B12R0.44 CC(C)CCNC(=O)CCN(C)C 240690a_100000210545_100000689311 [0,2,0,0,0,0|1,0,0]=3 8561 B12R0.44 CC(C)CCNC(=O)CCN(C)C 527a_100000210545_100000689311 [0,2,0,0,0,0|1,0,0]=3 8562 B12R0.44 CC(C)CCNC(=O)CC[N+](=O)[O-] 11a_100000210545_200000064761 [0,2,0,0,0,0|2,0,0]=4 8563 B12R0.44 CC(C)CCNC(=O)CC[N+](=O)[O-] 1626a_100000210545_200000064761 [0,2,0,0,0,0|2,0,0]=4 8564 B12R0.44 CC(C)CCNC(=O)CC[N+](=O)[O-] 240690a_100000210545_200000064761 [0,2,0,0,0,0|2,0,0]=4 8565 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 11a_100000210545_100009452791 [0,2,0,0,0,0|1,0,0]=3 8566 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 1626a_100000210545_100009452791 [0,2,0,0,0,0|1,0,0]=3 8567 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 240690a_100000210545_100009452791 [0,2,0,0,0,0|1,0,0]=3 8568 B12R0.44 CC(C)CCNC(=O)COC(C)C 11a_100000210545_100000745533 [0,2,0,0,0,0|1,0,0]=3 8569 B12R0.44 CC(C)CCNC(=O)COC(C)C 1626a_100000210545_100000745533 [0,2,0,0,0,0|1,0,0]=3 8570 B12R0.44 CC(C)CCNC(=O)COC(C)C 240690a_100000210545_100000745533 [0,2,0,0,0,0|1,0,0]=3 8571 B12R0.44 CC(C)CCNC(=O)COC(C)C 527a_100000210545_100000745533 [0,2,0,0,0,0|1,0,0]=3 8572 B12R0.44 CC(C)CCNC(=O)COC(F)F 11a_100000210545_200000719455 [0,2,0,0,0,0|2,0,0]=4 8573 B12R0.44 CC(C)CCNC(=O)COC(F)F 1626a_100000210545_200000719455 [0,2,0,0,0,0|2,0,0]=4 8574 B12R0.44 CC(C)CCNC(=O)COC(F)F 240690a_100000210545_200000719455 [0,2,0,0,0,0|2,0,0]=4 8575 B12R0.44 CC(C)CCNC(=O)COC(F)F 527a_100000210545_200000719455 [0,2,0,0,0,0|2,0,0]=4 8576 B12R0.44 CC(C)CCNC(=O)CSC(C)C 11a_100000210545_100000241585 [0,2,0,0,0,0|1,0,0]=3 8577 B12R0.44 CC(C)CCNC(=O)CSC(C)C 1626a_100000210545_100000241585 [0,2,0,0,0,0|1,0,0]=3 8578 B12R0.44 CC(C)CCNC(=O)CSC(C)C 240690a_100000210545_100000241585 [0,2,0,0,0,0|1,0,0]=3 8579 B12R0.44 CC(C)CCNC(=O)CSC(C)C 527a_100000210545_100000241585 [0,2,0,0,0,0|1,0,0]=3 8580 B12R0.44 CC(C)CCNC(=O)CSC(F)F 11a_100000210545_114828291038 [0,2,0,0,0,0|2,0,0]=4 8581 B12R0.44 CC(C)CCNC(=O)CSC(F)F 1626a_100000210545_114828291038 [0,2,0,0,0,0|2,0,0]=4 8582 B12R0.44 CC(C)CCNC(=O)CSC(F)F 240690a_100000210545_114828291038 [0,2,0,0,0,0|2,0,0]=4 8583 B12R0.44 CC(C)CCNC(=O)CSC(F)F 527a_100000210545_114828291038 [0,2,0,0,0,0|2,0,0]=4 8584 B12R0.44 CC(C)CCNC(=O)NCC(C)C 2708a_100000210545_100000210953 [0,2,0,0,0,0|1,0,0]=3 8585 B12R0.44 CC(C)CCNC(=O)NCC(C)C 2708a_100000210953_100000210545 [0,2,0,0,0,0|1,0,0]=3 8586 B12R0.44 CC(C)CCNC(=O)NCC(C)C 273464a_100000210545_100000210953 [0,2,0,0,0,0|1,0,0]=3 8587 B12R0.44 CC(C)CCNC(=O)NCC(C)C 273464a_100000210953_100000210545 [0,2,0,0,0,0|1,0,0]=3 8588 B12R0.44 CC(C)CCNC(=O)NCC(C)C 512a_100000210545_100000210953 [0,2,0,0,0,0|1,0,0]=3 8589 B12R0.44 CC(C)CCNC(=O)NCC(C)C 512a_100000210953_100000210545 [0,2,0,0,0,0|1,0,0]=3 8590 B12R0.44 CC(C)CCNC(=O)NCC(C)O 2708a_100000210545_100000210904 [0,2,0,0,0,0|1,0,0]=3 8591 B12R0.44 CC(C)CCNC(=O)NCC(C)O 273464a_100000210545_100000210904 [0,2,0,0,0,0|1,0,0]=3 8592 B12R0.44 CC(C)CCNC(=O)NCC(C)O 273464a_100000210904_100000210545 [0,2,0,0,0,0|1,0,0]=3 8593 B12R0.44 CC(C)CCNC(=O)NCC(C)O 512a_100000210545_100000210904 [0,2,0,0,0,0|1,0,0]=3 8594 B12R0.44 CC(C)CCNC(=O)NCC(C)O 512a_100000210904_100000210545 [0,2,0,0,0,0|1,0,0]=3 8595 B12R0.44 CC(C)CCNC(=O)NCC(F)F 2708a_100000210545_100000765723 [0,2,0,0,0,0|2,0,0]=4 8596 B12R0.44 CC(C)CCNC(=O)NCC(F)F 273464a_100000210545_100000765723 [0,2,0,0,0,0|2,0,0]=4 8597 B12R0.44 CC(C)CCNC(=O)NCC(F)F 273464a_100000765723_100000210545 [0,2,0,0,0,0|2,0,0]=4 8598 B12R0.44 CC(C)CCNC(=O)NCC(F)F 512a_100000210545_100000765723 [0,2,0,0,0,0|2,0,0]=4 8599 B12R0.44 CC(C)CCNC(=O)NCC(F)F 512a_100000765723_100000210545 [0,2,0,0,0,0|2,0,0]=4 8600 B12R0.44 CC(C)CCNC(=O)NNC(C)C 273464a_100000210545_100000741168 [0,2,0,0,0,0|2,0,0]=4 8601 B12R0.44 CC(C)CCNC(=O)NNC(C)C 512a_100000210545_100000741168 [0,2,0,0,0,0|2,0,0]=4 8602 B12R0.44 CC(C)CCNC(=O)NNC(C)C 512a_100000741168_100000210545 [0,2,0,0,0,0|2,0,0]=4 8603 B12R0.44 CC(C)CCOC(C)CCC(C)C 34a_100000210254_100011261404 [0,2,0,0,0,0|1,0,1]=4 8604 B12R0.44 CC(C)CCOC(C)CCC(C)C 34a_100011215350_100000210312 [0,2,0,0,0,0|1,0,1]=4 8605 B12R0.44 CC(C)CCOC(C)CCC(C)C 7a_100011215350_100000210626 [0,2,0,0,0,0|1,0,1]=4 8606 B12R0.44 CC(C)CNC(=O)CCCC(C)O 1626a_100000210953_100000761597 [0,2,0,0,0,0|2,0,0]=4 8607 B12R0.44 CC(C)CNC(=O)CCCC(C)O 527a_100000210953_100000761597 [0,2,0,0,0,0|2,0,0]=4 8608 B12R0.44 CC(C)CNC(=O)CCCN(C)C 11a_100000210953_100000740757 [0,2,0,0,0,0|2,0,0]=4 8609 B12R0.44 CC(C)CNC(=O)CCCN(C)C 2230a_100102631434_100011194448 [0,2,0,0,0,0|2,0,0]=4 8610 B12R0.44 CC(C)CNC(=O)CCCN(C)C 240690a_100000210953_100000740757 [0,2,0,0,0,0|2,0,0]=4 8611 B12R0.44 CC(C)CNC(=O)CCCN(C)C 269982a_100102631434_100011194448 [0,2,0,0,0,0|2,0,0]=4 8612 B12R0.44 CC(C)CNC(=O)COCC(C)C 11a_100000210953_100011223364 [0,2,0,0,0,0|2,0,0]=4 8613 B12R0.44 CC(C)CNC(=O)COCC(C)C 1626a_100000210953_100011223364 [0,2,0,0,0,0|2,0,0]=4 8614 B12R0.44 CC(C)CNC(=O)COCC(C)C 240690a_100000210953_100011223364 [0,2,0,0,0,0|2,0,0]=4 8615 B12R0.44 CC(C)CNC(=O)COCC(C)C 34a_100000210257_100000183291 [0,2,0,0,0,0|2,0,0]=4 8616 B12R0.44 CC(C)CNC(=O)COCC(C)C 527a_100000210953_100011223364 [0,2,0,0,0,0|2,0,0]=4 8617 B12R0.44 CC(C)CNC(=O)CSCC(C)C 62a_100000183291_100000210760 [0,2,0,0,0,0|2,0,0]=4 8618 B12R0.44 CC(C)CNC(=O)CSCC(C)C 62a_100000210624_100000183291 [0,2,0,0,0,0|2,0,0]=4 8619 B12R0.44 CC(C)CNC(=O)NCCC(C)O 2708a_100000210953_200000755665 [0,2,0,0,0,0|2,0,0]=4 8620 B12R0.44 CC(C)CNC(=O)NCCC(C)O 273464a_200000755665_100000210953 [0,2,0,0,0,0|2,0,0]=4 8621 B12R0.44 CC(C)CNC(=O)NCCC(C)O 512a_100000210953_200000755665 [0,2,0,0,0,0|2,0,0]=4 8622 B12R0.44 CC(C)CNC(=O)NCCC(C)O 512a_200000755665_100000210953 [0,2,0,0,0,0|2,0,0]=4 8623 B12R0.44 CC(C)CNC(=O)NCCN(C)C 2708a_100000210953_100000210585 [0,2,0,0,0,0|2,0,0]=4 8624 B12R0.44 CC(C)CNC(=O)NCCN(C)C 273464a_100000210585_100000210953 [0,2,0,0,0,0|2,0,0]=4 8625 B12R0.44 CC(C)CNC(=O)NCCN(C)C 273464a_100000210953_100000210585 [0,2,0,0,0,0|2,0,0]=4 8626 B12R0.44 CC(C)CNC(=O)NCCN(C)C 512a_100000210953_100000210585 [0,2,0,0,0,0|2,0,0]=4 8627 B12R0.44 CC(C)CNCC(=O)NCC(C)C 2230a_100000210953_100000183291 [0,2,0,0,0,0|2,0,0]=4 8628 B12R0.44 CC(C)CNCC(=O)NCC(C)C 34a_100000210953_100000183291 [0,2,0,0,0,0|2,0,0]=4 8629 B12R0.44 CC(C)CNNC(=O)CCN(C)C 22a_100000696102_100000689311 [0,2,0,0,0,0|2,0,0]=4 8630 B12R0.44 CC(C)CNNC(=O)CC[S+](C)C 22a_100000696102_100009452791 [0,2,0,0,0,0|2,0,0]=4 8631 B12R0.44 CC(C)CNNC(=O)COC(C)C 22a_100000696102_100000745533 [0,2,0,0,0,0|2,0,0]=4 8632 B12R0.44 CC(C)CNNC(=O)CSC(C)C 22a_100000696102_100000241585 [0,2,0,0,0,0|2,0,0]=4 8633 B12R0.44 CC(C)CNNC(=O)NCC(C)C 273464a_100000210953_100000696102 [0,2,0,0,0,0|2,0,0]=4 8634 B12R0.44 CC(C)CNNC(=O)NCC(C)C 512a_100000210953_100000696102 [0,2,0,0,0,0|2,0,0]=4 8635 B12R0.44 CC(C)CNNC(=O)NCC(C)C 512a_100000696102_100000210953 [0,2,0,0,0,0|2,0,0]=4 8636 B12R0.44 CC(C)CNNC(=O)NCC(C)O 273464a_100000210904_100000696102 [0,2,0,0,0,0|2,0,0]=4 8637 B12R0.44 CC(C)CNNC(=O)NCC(C)O 512a_100000210904_100000696102 [0,2,0,0,0,0|2,0,0]=4 8638 B12R0.44 CC(C)CNNC(=O)NCC(C)O 512a_100000696102_100000210904 [0,2,0,0,0,0|2,0,0]=4 8639 B12R0.44 CC(C)COCC(=O)CCC(C)O 1458a_100011223364_100012276601 [0,2,0,0,0,0|2,0,0]=4 8640 B12R0.44 CC(C)COCC(=O)NCC(C)O 11a_100000210904_100011223364 [0,2,0,0,0,0|2,0,0]=4 8641 B12R0.44 CC(C)COCC(=O)NCC(C)O 240690a_100000210904_100011223364 [0,2,0,0,0,0|2,0,0]=4 8642 B12R0.44 CC(C)COCC(=O)NCC(C)O 527a_100000210904_100011223364 [0,2,0,0,0,0|2,0,0]=4 8643 B12R0.44 CC(C)OCC(=O)CCCN(C)C 1458a_100000745533_100000695564 [0,2,0,0,0,0|2,0,0]=4 8644 B12R0.44 CC(C)OCC(=O)CCSC(C)C 1458a_100000745533_100000730970 [0,2,0,0,0,0|2,0,0]=4 8645 B12R0.44 CC(C)OCC(=O)NCCN(C)C 240690a_100000210585_100000745533 [0,2,0,0,0,0|2,0,0]=4 8646 B12R0.44 CC(C)OCC(=O)NCCN(C)C 527a_100000210585_100000745533 [0,2,0,0,0,0|2,0,0]=4 8647 B12R0.44 CC(C)OCCC(=O)CC[S+](C)C 1458a_100009452791_100000211751 [0,2,0,0,0,0|2,0,0]=4 8648 B12R0.44 CC(C)OCCC(=O)COC(C)C 1458a_100000745533_100000211751 [0,2,0,0,0,0|2,0,0]=4 8649 B12R0.44 CC(C)OCCC(=O)CSC(C)C 1458a_100000241585_100000211751 [0,2,0,0,0,0|2,0,0]=4 8650 B12R0.44 CC(C)SCC(=O)CCCN(C)C 1458a_100000241585_100000695564 [0,2,0,0,0,0|2,0,0]=4 8651 B12R0.44 CC(C)SCC(=O)NCCN(C)C 240690a_100000210585_100000241585 [0,2,0,0,0,0|2,0,0]=4 8652 B12R0.44 CC(C)SCC(=O)NCCN(C)C 527a_100000210585_100000241585 [0,2,0,0,0,0|2,0,0]=4 8653 B12R0.44 CC(C)SCCC(=O)CC[S+](C)C 1458a_100009452791_100000730970 [0,2,0,0,0,0|2,0,0]=4 8654 B12R0.44 CC(C)SCCC(=O)CSC(C)C 1458a_100000241585_100000730970 [0,2,0,0,0,0|2,0,0]=4 8655 B12R0.44 CC(O)CCCC(=O)CC[S+](C)C 1458a_100009452791_200000718107 [0,2,0,0,0,0|2,0,0]=4 8656 B12R0.44 CC(O)CCCC(=O)COC(C)C 1458a_100000745533_200000718107 [0,2,0,0,0,0|2,0,0]=4 8657 B12R0.44 CC(O)CCCC(=O)CSC(C)C 1458a_100000241585_200000718107 [0,2,0,0,0,0|2,0,0]=4 8658 B12R0.44 CC(O)CCCC(=O)NCC(C)O 527a_100000210904_100000761597 [0,2,0,0,0,0|2,0,0]=4 8659 B12R0.44 CC(O)CCNC(=O)CCN(C)C 240690a_200000755665_100000689311 [0,2,0,0,0,0|2,0,0]=4 8660 B12R0.44 CC(O)CCNC(=O)CCN(C)C 527a_200000755665_100000689311 [0,2,0,0,0,0|2,0,0]=4 8661 B12R0.44 CC(O)CCNC(=O)CC[S+](C)C 240690a_200000755665_100009452791 [0,2,0,0,0,0|2,0,0]=4 8662 B12R0.44 CC(O)CCNC(=O)COC(C)C 240690a_200000755665_100000745533 [0,2,0,0,0,0|2,0,0]=4 8663 B12R0.44 CC(O)CCNC(=O)COC(C)C 527a_200000755665_100000745533 [0,2,0,0,0,0|2,0,0]=4 8664 B12R0.44 CC(O)CCNC(=O)CSC(C)C 240690a_200000755665_100000241585 [0,2,0,0,0,0|2,0,0]=4 8665 B12R0.44 CC(O)CCNC(=O)CSC(C)C 527a_200000755665_100000241585 [0,2,0,0,0,0|2,0,0]=4 8666 B12R0.44 CC(O)CCNC(=O)NCC(C)O 273464a_200000755665_100000210904 [0,2,0,0,0,0|2,0,0]=4 8667 B12R0.44 CC(O)CCNC(=O)NCC(C)O 512a_100000210904_200000755665 [0,2,0,0,0,0|2,0,0]=4 8668 B12R0.44 CC(O)CCNC(=O)NCC(C)O 512a_200000755665_100000210904 [0,2,0,0,0,0|2,0,0]=4 8669 B12R0.44 CC(O)CNC(=O)CCCN(C)C 11a_100000210904_100000740757 [0,2,0,0,0,0|2,0,0]=4 8670 B12R0.44 CC(O)CNC(=O)CCCN(C)C 240690a_100000210904_100000740757 [0,2,0,0,0,0|2,0,0]=4 8671 B12R0.44 CC(O)CNC(=O)NCCN(C)C 273464a_100000210585_100000210904 [0,2,0,0,0,0|2,0,0]=4 8672 B12R0.44 CC(O)CNC(=O)NCCN(C)C 273464a_100000210904_100000210585 [0,2,0,0,0,0|2,0,0]=4 8673 B12R0.44 CC(O)CNC(=O)NCCN(C)C 512a_100000210904_100000210585 [0,2,0,0,0,0|2,0,0]=4 8674 B12R0.44 CN(C)CCCC(=O)CC[S+](C)C 1458a_100009452791_100000695564 [0,2,0,0,0,0|2,0,0]=4 8675 B12R0.44 CN(C)CCNC(=O)CCN(C)C 240690a_100000210585_100000689311 [0,2,0,0,0,0|2,0,0]=4 8676 B12R0.44 CN(C)CCNC(=O)CCN(C)C 527a_100000210585_100000689311 [0,2,0,0,0,0|2,0,0]=4 8677 B12R0.44 CN(C)CCNC(=O)CC[S+](C)C 240690a_100000210585_100009452791 [0,2,0,0,0,0|2,0,0]=4 8678 B12R0.102 C#CC(C)NCOC(=O)OCCC 34a_100000707721_200000139673 [0,2,0,0,0,0|1,0,1]=4 8679 B12R0.102 C#CC(C)SCOC(=O)OCCC 62a_200000035995_200000139673 [0,2,0,0,0,0|1,0,1]=4 8680 B12R0.102 C#CCCC(=O)NCCC(C)CC 11a_100020591266_100000692101 [0,2,0,0,0,0|1,0,1]=4 8681 B12R0.102 C#CCCC(=O)NCCC(C)CC 1626a_100020591266_100000692101 [0,2,0,0,0,0|1,0,1]=4 8682 B12R0.102 C#CCCC(=O)NCCC(C)CC 240690a_100020591266_100000692101 [0,2,0,0,0,0|1,0,1]=4 8683 B12R0.102 C#CCCC(=O)NCCC(C)CC 527a_100020591266_100000692101 [0,2,0,0,0,0|1,0,1]=4 8684 B12R0.102 C#CCCC(=O)NCCC(C)CO 240690a_106354213184_100000692101 [0,2,0,0,0,0|1,0,1]=4 8685 B12R0.102 C#CCCC(=O)NCCC(C)CO 527a_106354213184_100000692101 [0,2,0,0,0,0|1,0,1]=4 8686 B12R0.102 C#C[C@@H](C)OCOC(=O)OCCC 34a_100009815206_200000139673 [0,2,0,0,0,0|1,0,1]=4 8687 B12R0.102 C#C[C@@H](C)OCOC(=O)OCCC 7a_100009815206_200000139673 [0,2,0,0,0,0|1,0,1]=4 8688 B12R0.102 C=CC(C)OCOC(=O)OCCC 34a_100000695699_200000139673 [0,2,0,0,0,0|1,0,1]=4 8689 B12R0.102 C=CC(C)SCOC(=O)OCCC 62a_100011215867_200000139673 [0,2,0,0,0,0|1,0,1]=4 8690 B12R0.102 C=CCCC(=O)NCCC(C)CC 11a_100020591266_100000749702 [0,2,0,0,0,0|1,0,1]=4 8691 B12R0.102 C=CCCC(=O)NCCC(C)CC 1626a_100020591266_100000749702 [0,2,0,0,0,0|1,0,1]=4 8692 B12R0.102 C=CCCC(=O)NCCC(C)CC 240690a_100020591266_100000749702 [0,2,0,0,0,0|1,0,1]=4 8693 B12R0.102 C=CCCC(=O)NCCC(C)CC 527a_100020591266_100000749702 [0,2,0,0,0,0|1,0,1]=4 8694 B12R0.102 C=CCCC(=O)NCCC(C)CO 240690a_106354213184_100000749702 [0,2,0,0,0,0|1,0,1]=4 8695 B12R0.102 C=CCCC(=O)NCCC(C)CO 527a_106354213184_100000749702 [0,2,0,0,0,0|1,0,1]=4 8696 B12R0.102 CC(CO)CCNC(=O)CCC#N 240690a_106354213184_100011934036 [0,2,0,0,0,0|1,0,1]=4 8697 B12R0.102 CC(CO)CCNC(=O)CCC#N 527a_106354213184_100011934036 [0,2,0,0,0,0|1,0,1]=4 8698 B12R0.102 CC(CO)CCNC(=O)NCCF 273464a_100000724931_106354213184 [0,2,0,0,0,0|2,0,0]=4 8699 B12R0.102 CC(CO)CCNC(=O)NCCF 273464a_106354213184_100000724931 [0,2,0,0,0,0|2,0,0]=4 8700 B12R0.102 CC(CO)CCNC(=O)NCCF 512a_106354213184_100000724931 [0,2,0,0,0,0|2,0,0]=4 8701 B12R0.102 CC(CO)CCNC(=O)NCCO 273464a_100000210304_106354213184 [0,2,0,0,0,0|2,0,0]=4 8702 B12R0.102 CC(CO)CCNC(=O)NCCO 273464a_106354213184_100000210304 [0,2,0,0,0,0|2,0,0]=4 8703 B12R0.102 CC(CO)CCNC(=O)NCCO 512a_106354213184_100000210304 [0,2,0,0,0,0|2,0,0]=4 8704 B12R0.102 CC=CCC(=O)NCCC(C)CC 11a_100020591266_100121576822 [0,2,0,0,0,0|1,0,1]=4 8705 B12R0.102 CC=CCC(=O)NCCC(C)CC 1626a_100020591266_100121576822 [0,2,0,0,0,0|1,0,1]=4 8706 B12R0.102 CC=CCC(=O)NCCC(C)CC 240690a_100020591266_100121576822 [0,2,0,0,0,0|1,0,1]=4 8707 B12R0.102 CC=CCC(=O)NCCC(C)CC 527a_100020591266_100121576822 [0,2,0,0,0,0|1,0,1]=4 8708 B12R0.102 CC=CCC(=O)NCCC(C)CO 240690a_106354213184_100121576822 [0,2,0,0,0,0|1,0,1]=4 8709 B12R0.102 CC=CCC(=O)NCCC(C)CO 527a_106354213184_100121576822 [0,2,0,0,0,0|1,0,1]=4 8710 B12R0.102 CCC(C)CCNC(=O)CCC#N 11a_100020591266_100011934036 [0,2,0,0,0,0|1,0,1]=4 8711 B12R0.102 CCC(C)CCNC(=O)CCC#N 1626a_100020591266_100011934036 [0,2,0,0,0,0|1,0,1]=4 8712 B12R0.102 CCC(C)CCNC(=O)CCC#N 240690a_100020591266_100011934036 [0,2,0,0,0,0|1,0,1]=4 8713 B12R0.102 CCC(C)CCNC(=O)CCC#N 527a_100020591266_100011934036 [0,2,0,0,0,0|1,0,1]=4 8714 B12R0.102 CCC(C)CCNC(=O)CCOC 11a_100020591266_100000749529 [0,2,0,0,0,0|1,0,0]=3 8715 B12R0.102 CCC(C)CCNC(=O)CCOC 1626a_100020591266_100000749529 [0,2,0,0,0,0|1,0,0]=3 8716 B12R0.102 CCC(C)CCNC(=O)CCOC 240690a_100020591266_100000749529 [0,2,0,0,0,0|1,0,0]=3 8717 B12R0.102 CCC(C)CCNC(=O)CCOC 527a_100020591266_100000749529 [0,2,0,0,0,0|1,0,0]=3 8718 B12R0.102 CCC(C)CCNC(=O)CCSC 11a_100020591266_100000174002 [0,2,0,0,0,0|1,0,0]=3 8719 B12R0.102 CCC(C)CCNC(=O)CCSC 1626a_100020591266_100000174002 [0,2,0,0,0,0|1,0,0]=3 8720 B12R0.102 CCC(C)CCNC(=O)CCSC 240690a_100020591266_100000174002 [0,2,0,0,0,0|1,0,0]=3 8721 B12R0.102 CCC(C)CCNC(=O)CCSC 527a_100020591266_100000174002 [0,2,0,0,0,0|1,0,0]=3 8722 B12R0.102 CCC(C)CCNC(=O)NCCF 2708a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 8723 B12R0.102 CCC(C)CCNC(=O)NCCF 273464a_100000724931_100020591266 [0,2,0,0,0,0|2,0,0]=4 8724 B12R0.102 CCC(C)CCNC(=O)NCCF 273464a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 8725 B12R0.102 CCC(C)CCNC(=O)NCCF 512a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 8726 B12R0.102 CCC(C)CCNC(=O)NCCO 2708a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 8727 B12R0.102 CCC(C)CCNC(=O)NCCO 273464a_100000210304_100020591266 [0,2,0,0,0,0|2,0,0]=4 8728 B12R0.102 CCC(C)CCNC(=O)NCCO 273464a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 8729 B12R0.102 CCC(C)CCNC(=O)NCCO 512a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 8730 B12R0.102 CCC=CC(=O)NCCC(C)CC 11a_100020591266_100000212282 [0,2,0,0,0,0|1,0,1]=4 8731 B12R0.102 CCC=CC(=O)NCCC(C)CC 1626a_100020591266_100000212282 [0,2,0,0,0,0|1,0,1]=4 8732 B12R0.102 CCC=CC(=O)NCCC(C)CC 240690a_100020591266_100000212282 [0,2,0,0,0,0|1,0,1]=4 8733 B12R0.102 CCC=CC(=O)NCCC(C)CO 240690a_106354213184_100000212282 [0,2,0,0,0,0|1,0,1]=4 8734 B12R0.102 CCCCC(=O)CCCN(C)CC 1458a_100000210183_100015186262 [0,2,0,0,0,0|2,0,0]=4 8735 B12R0.102 CCCCC(=O)NCCC(C)CC 11a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 8736 B12R0.102 CCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 8737 B12R0.102 CCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 8738 B12R0.102 CCCCC(=O)NCCC(C)CC 527a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 8739 B12R0.102 CCCCC(=O)NCCC(C)CO 240690a_106354213184_100000210183 [0,2,0,0,0,0|1,0,0]=3 8740 B12R0.102 CCCCC(=O)NCCC(C)CO 527a_106354213184_100000210183 [0,2,0,0,0,0|1,0,0]=3 8741 B12R0.102 CCCCC(C)OCCC(C)CC 7a_100011215188_200011215066 [0,2,0,0,0,0|1,0,1]=4 8742 B12R0.102 CCCCC(C)OCCC(C)OC 7a_100000764861_200011215066 [0,2,0,0,0,0|1,0,1]=4 8743 B12R0.102 CCCNC(=O)CCCN(C)CC 2230a_100000225621_100011194427 [0,2,0,0,0,0|2,0,0]=4 8744 B12R0.102 CCCNC(=O)CCCN(C)CC 269982a_100000225621_100011194427 [0,2,0,0,0,0|2,0,0]=4 8745 B12R0.102 CCCNC(=O)CNCC(C)CC 2230a_100000174927_100000748023 [0,2,0,0,0,0|2,0,0]=4 8746 B12R0.102 CCCNC(=O)CNCC(C)CC 2230a_100020588543_100000183358 [0,2,0,0,0,0|2,0,0]=4 8747 B12R0.102 CCCNC(=O)CNCC(C)CC 270004a_100000174927_100000243153 [0,2,0,0,0,0|2,0,0]=4 8748 B12R0.102 CCCNC(=O)CNCC(C)CO 34a_100000744482_100000183358 [0,2,0,0,0,0|2,0,0]=4 8749 B12R0.102 CCCNC(=O)CNC[C@@H](C)CC 2230a_100000174927_100009816398 [0,2,0,0,0,0|2,0,0]=4 8750 B12R0.102 CCCNC(=O)CNC[C@@H](C)CO 2230a_100000174927_100000059175 [0,2,0,0,0,0|2,0,0]=4 8751 B12R0.102 CCCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183358 [0,2,0,0,0,0|2,0,0]=4 8752 B12R0.102 CCCNC(=O)COCC(C)CN 34a_100000744482_100000183358 [0,2,0,0,0,0|2,0,0]=4 8753 B12R0.102 CCCNC(=O)COCC(C)OC 34a_100000690652_100000183358 [0,2,0,0,0,0|2,0,0]=4 8754 B12R0.102 CCCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183358 [0,2,0,0,0,0|2,0,0]=4 8755 B12R0.102 CCCNC(=O)CSCC(C)CC 62a_100000183358_100000748023 [0,2,0,0,0,0|2,0,0]=4 8756 B12R0.102 CCCNC(=O)CSCC(C)CC 62a_100000748023_100000183358 [0,2,0,0,0,0|2,0,0]=4 8757 B12R0.102 CCCNC(=O)CSC[C@@H](C)CC 62a_100000183358_100009816398 [0,2,0,0,0,0|2,0,0]=4 8758 B12R0.102 CCCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183358 [0,2,0,0,0,0|2,0,0]=4 8759 B12R0.102 CCCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183358 [0,2,0,0,0,0|2,0,0]=4 8760 B12R0.102 CCCNC(=O)CSC[C@@H](C)CO 62a_100000183358_100000059175 [0,2,0,0,0,0|2,0,0]=4 8761 B12R0.102 CCCNC(=O)NCCC(C)CC 2708a_100020591266_100020643023 [0,2,0,0,0,0|1,0,0]=3 8762 B12R0.102 CCCNC(=O)NCCC(C)CC 2708a_100020643023_100020591266 [0,2,0,0,0,0|1,0,0]=3 8763 B12R0.102 CCCNC(=O)NCCC(C)CC 273464a_100020591266_100020643023 [0,2,0,0,0,0|1,0,0]=3 8764 B12R0.102 CCCNC(=O)NCCC(C)CC 273464a_100020643023_100020591266 [0,2,0,0,0,0|1,0,0]=3 8765 B12R0.102 CCCNC(=O)NCCC(C)CC 512a_100020591266_100020643023 [0,2,0,0,0,0|1,0,0]=3 8766 B12R0.102 CCCNC(=O)NCCC(C)CC 512a_100020643023_100020591266 [0,2,0,0,0,0|1,0,0]=3 8767 B12R0.102 CCCNC(=O)NCCC(C)CO 2708a_100020643023_106354213184 [0,2,0,0,0,0|1,0,0]=3 8768 B12R0.102 CCCNC(=O)NCCC(C)CO 273464a_100020643023_106354213184 [0,2,0,0,0,0|1,0,0]=3 8769 B12R0.102 CCCNC(=O)NCCC(C)CO 273464a_106354213184_100020643023 [0,2,0,0,0,0|1,0,0]=3 8770 B12R0.102 CCCNC(=O)NCCC(C)CO 512a_100020643023_106354213184 [0,2,0,0,0,0|1,0,0]=3 8771 B12R0.102 CCCNC(=O)NCCC(C)CO 512a_106354213184_100020643023 [0,2,0,0,0,0|1,0,0]=3 8772 B12R0.102 CCCOC(=O)CNCC(C)CC 2230a_100020588543_200011215008 [0,2,0,0,0,0|2,0,0]=4 8773 B12R0.102 CCCOC(=O)CNCC(C)CO 34a_100000744482_200011215008 [0,2,0,0,0,0|2,0,0]=4 8774 B12R0.102 CCCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_200011215008 [0,2,0,0,0,0|2,0,0]=4 8775 B12R0.102 CCCOC(=O)COCC(C)CN 34a_100000744482_200011215008 [0,2,0,0,0,0|2,0,0]=4 8776 B12R0.102 CCCOC(=O)COCC(C)OC 34a_100000690652_200011215008 [0,2,0,0,0,0|2,0,0]=4 8777 B12R0.102 CCCOC(=O)COC[C@@H](C)CC 7a_100009816381_200011215008 [0,2,0,0,0,0|2,0,0]=4 8778 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_100000748023_200011215008 [0,2,0,0,0,0|2,0,0]=4 8779 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_200011215008_100000748023 [0,2,0,0,0,0|2,0,0]=4 8780 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_200011215008 [0,2,0,0,0,0|2,0,0]=4 8781 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_200011215008_100009816398 [0,2,0,0,0,0|2,0,0]=4 8782 B12R0.102 CCCOC(=O)CSC[C@@H](C)CO 62a_100000059175_200011215008 [0,2,0,0,0,0|2,0,0]=4 8783 B12R0.102 CCCOC(=O)CSC[C@@H](C)CO 62a_200011215008_100000059175 [0,2,0,0,0,0|2,0,0]=4 8784 B12R0.102 CCCOC(=O)OCOC(C)C#N 34a_100011218135_200000139673 [0,2,0,0,0,0|1,0,1]=4 8785 B12R0.102 CCCOC(=O)OCOC(C)CC 7a_100000210228_200000139673 [0,2,0,0,0,0|1,0,0]=3 8786 B12R0.102 CCCOC(=O)OCOC(C)CF 34a_100016041109_200000139673 [0,2,0,0,0,0|1,0,0]=3 8787 B12R0.102 CCCOC(=O)OCOC(C)CF 7a_100016041109_200000139673 [0,2,0,0,0,0|1,0,0]=3 8788 B12R0.102 CCCOC(=O)OCOC(C)CN 34a_100000210904_200000139673 [0,2,0,0,0,0|1,0,0]=3 8789 B12R0.102 CCCOC(=O)OCSC(C)C#N 62a_100000703298_200000139673 [0,2,0,0,0,0|1,0,1]=4 8790 B12R0.102 CCCOC(=O)OCSC(C)CC 62a_100000758301_200000139673 [0,2,0,0,0,0|1,0,0]=3 8791 B12R0.102 CCCOC(=O)OCSC(C)CO 62a_100012180447_200000139673 [0,2,0,0,0,0|1,0,0]=3 8792 B12R0.102 CCCOC(=O)OCSC(C)OC 62a_100009879195_200000139673 [0,2,0,0,0,0|1,0,0]=3 8793 B12R0.102 CCCOC(=O)OCS[C@H](C)CO 62a_100016084084_200000139673 [0,2,0,0,0,0|1,0,0]=3 8794 B12R0.102 CCN(C)CCCC(=O)CCOC 1458a_100000749529_100015186262 [0,2,0,0,0,0|2,0,0]=4 8795 B12R0.102 CCN(C)CCCC(=O)CCSC 1458a_100000174002_100015186262 [0,2,0,0,0,0|2,0,0]=4 8796 B12R0.102 CCNNC(=O)NCCC(C)CC 273464a_100020591266_100000756455 [0,2,0,0,0,0|2,0,0]=4 8797 B12R0.102 CCNNC(=O)NCCC(C)CC 512a_100000756455_100020591266 [0,2,0,0,0,0|2,0,0]=4 8798 B12R0.102 CCNNC(=O)NCCC(C)CC 512a_100020591266_100000756455 [0,2,0,0,0,0|2,0,0]=4 8799 B12R0.102 CCNNC(=O)NCCC(C)CO 273464a_106354213184_100000756455 [0,2,0,0,0,0|2,0,0]=4 8800 B12R0.102 CCNNC(=O)NCCC(C)CO 512a_100000756455_106354213184 [0,2,0,0,0,0|2,0,0]=4 8801 B12R0.102 CCNNC(=O)NCCC(C)CO 512a_106354213184_100000756455 [0,2,0,0,0,0|2,0,0]=4 8802 B12R0.102 CCOCC(=O)CCCN(C)CC 1458a_100000211967_100015186262 [0,2,0,0,0,0|2,0,0]=4 8803 B12R0.102 CCOCC(=O)NCCC(C)CC 11a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 8804 B12R0.102 CCOCC(=O)NCCC(C)CC 1626a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 8805 B12R0.102 CCOCC(=O)NCCC(C)CC 240690a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 8806 B12R0.102 CCOCC(=O)NCCC(C)CC 527a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 8807 B12R0.102 CCOCC(=O)NCCC(C)CO 240690a_106354213184_100000211967 [0,2,0,0,0,0|1,0,0]=3 8808 B12R0.102 CCOCC(=O)NCCC(C)CO 527a_106354213184_100000211967 [0,2,0,0,0,0|1,0,0]=3 8809 B12R0.102 CCSCC(=O)CCCN(C)CC 1458a_100000230394_100015186262 [0,2,0,0,0,0|2,0,0]=4 8810 B12R0.102 CCSCC(=O)NCCC(C)CC 11a_100020591266_100000230394 [0,2,0,0,0,0|1,0,0]=3 8811 B12R0.102 CCSCC(=O)NCCC(C)CC 1626a_100020591266_100000230394 [0,2,0,0,0,0|1,0,0]=3 8812 B12R0.102 CCSCC(=O)NCCC(C)CC 240690a_100020591266_100000230394 [0,2,0,0,0,0|1,0,0]=3 8813 B12R0.102 CCSCC(=O)NCCC(C)CC 527a_100020591266_100000230394 [0,2,0,0,0,0|1,0,0]=3 8814 B12R0.102 CCSCC(=O)NCCC(C)CO 240690a_106354213184_100000230394 [0,2,0,0,0,0|1,0,0]=3 8815 B12R0.102 CCSCC(=O)NCCC(C)CO 527a_106354213184_100000230394 [0,2,0,0,0,0|1,0,0]=3 8816 B12R0.102 COCCC(=O)NCCC(C)CO 240690a_106354213184_100000749529 [0,2,0,0,0,0|1,0,0]=3 8817 B12R0.102 COCCC(=O)NCCC(C)CO 527a_106354213184_100000749529 [0,2,0,0,0,0|1,0,0]=3 8818 B12R0.102 CSCCC(=O)NCCC(C)CO 240690a_106354213184_100000174002 [0,2,0,0,0,0|1,0,0]=3 8819 B12R0.102 CSCCC(=O)NCCC(C)CO 527a_106354213184_100000174002 [0,2,0,0,0,0|1,0,0]=3 8820 B12R0.104 C#CCCC(=O)NCCC(C)(C)C 11a_100000738805_100000692101 [0,2,0,0,0,0|1,0,1]=4 8821 B12R0.104 C#CCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000692101 [0,2,0,0,0,0|1,0,1]=4 8822 B12R0.104 C#CCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000692101 [0,2,0,0,0,0|1,0,1]=4 8823 B12R0.104 C#CCCC(=O)NCCC(C)(C)C 527a_100000738805_100000692101 [0,2,0,0,0,0|1,0,1]=4 8824 B12R0.104 C#CCCC(=O)NCCC(C)(C)F 11a_100016253952_100000692101 [0,2,0,0,0,0|1,0,1]=4 8825 B12R0.104 C#CCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000692101 [0,2,0,0,0,0|1,0,1]=4 8826 B12R0.104 C#CCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000692101 [0,2,0,0,0,0|1,0,1]=4 8827 B12R0.104 C#CCCC(=O)NCCC(C)(C)F 527a_100016253952_100000692101 [0,2,0,0,0,0|1,0,1]=4 8828 B12R0.104 C#CCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000692101 [0,2,0,0,0,0|1,0,1]=4 8829 B12R0.104 C#CCCC(=O)NCCC(C)(C)O 527a_100000707701_100000692101 [0,2,0,0,0,0|1,0,1]=4 8830 B12R0.104 C=CCCC(=O)NCCC(C)(C)C 11a_100000738805_100000749702 [0,2,0,0,0,0|1,0,1]=4 8831 B12R0.104 C=CCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000749702 [0,2,0,0,0,0|1,0,1]=4 8832 B12R0.104 C=CCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000749702 [0,2,0,0,0,0|1,0,1]=4 8833 B12R0.104 C=CCCC(=O)NCCC(C)(C)C 527a_100000738805_100000749702 [0,2,0,0,0,0|1,0,1]=4 8834 B12R0.104 C=CCCC(=O)NCCC(C)(C)F 11a_100016253952_100000749702 [0,2,0,0,0,0|1,0,1]=4 8835 B12R0.104 C=CCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000749702 [0,2,0,0,0,0|1,0,1]=4 8836 B12R0.104 C=CCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000749702 [0,2,0,0,0,0|1,0,1]=4 8837 B12R0.104 C=CCCC(=O)NCCC(C)(C)F 527a_100016253952_100000749702 [0,2,0,0,0,0|1,0,1]=4 8838 B12R0.104 C=CCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000749702 [0,2,0,0,0,0|1,0,1]=4 8839 B12R0.104 C=CCCC(=O)NCCC(C)(C)O 527a_100000707701_100000749702 [0,2,0,0,0,0|1,0,1]=4 8840 B12R0.104 CC(C)(C)CCNC(=O)CCC#N 11a_100000738805_100011934036 [0,2,0,0,0,0|1,0,1]=4 8841 B12R0.104 CC(C)(C)CCNC(=O)CCC#N 1626a_100000738805_100011934036 [0,2,0,0,0,0|1,0,1]=4 8842 B12R0.104 CC(C)(C)CCNC(=O)CCC#N 240690a_100000738805_100011934036 [0,2,0,0,0,0|1,0,1]=4 8843 B12R0.104 CC(C)(C)CCNC(=O)CCC#N 527a_100000738805_100011934036 [0,2,0,0,0,0|1,0,1]=4 8844 B12R0.104 CC(C)(C)CCNC(=O)NCCF 2708a_100000738805_100000724931 [0,2,0,0,0,0|2,0,0]=4 8845 B12R0.104 CC(C)(C)CCNC(=O)NCCF 273464a_100000724931_100000738805 [0,2,0,0,0,0|2,0,0]=4 8846 B12R0.104 CC(C)(C)CCNC(=O)NCCF 273464a_100000738805_100000724931 [0,2,0,0,0,0|2,0,0]=4 8847 B12R0.104 CC(C)(C)CCNC(=O)NCCF 512a_100000738805_100000724931 [0,2,0,0,0,0|2,0,0]=4 8848 B12R0.104 CC(C)(C)CCNC(=O)NCCO 2708a_100000738805_100000210304 [0,2,0,0,0,0|2,0,0]=4 8849 B12R0.104 CC(C)(C)CCNC(=O)NCCO 273464a_100000210304_100000738805 [0,2,0,0,0,0|2,0,0]=4 8850 B12R0.104 CC(C)(C)CCNC(=O)NCCO 273464a_100000738805_100000210304 [0,2,0,0,0,0|2,0,0]=4 8851 B12R0.104 CC(C)(C)CCNC(=O)NCCO 512a_100000738805_100000210304 [0,2,0,0,0,0|2,0,0]=4 8852 B12R0.104 CC(C)(F)CCNC(=O)CCC#N 11a_100016253952_100011934036 [0,2,0,0,0,0|1,0,1]=4 8853 B12R0.104 CC(C)(F)CCNC(=O)CCC#N 1626a_100016253952_100011934036 [0,2,0,0,0,0|1,0,1]=4 8854 B12R0.104 CC(C)(F)CCNC(=O)CCC#N 240690a_100016253952_100011934036 [0,2,0,0,0,0|1,0,1]=4 8855 B12R0.104 CC(C)(F)CCNC(=O)CCC#N 527a_100016253952_100011934036 [0,2,0,0,0,0|1,0,1]=4 8856 B12R0.104 CC(C)(F)CCNC(=O)NCCF 2708a_100016253952_100000724931 [0,2,0,0,0,0|2,0,0]=4 8857 B12R0.104 CC(C)(F)CCNC(=O)NCCF 273464a_100000724931_100016253952 [0,2,0,0,0,0|2,0,0]=4 8858 B12R0.104 CC(C)(F)CCNC(=O)NCCF 273464a_100016253952_100000724931 [0,2,0,0,0,0|2,0,0]=4 8859 B12R0.104 CC(C)(F)CCNC(=O)NCCF 512a_100016253952_100000724931 [0,2,0,0,0,0|2,0,0]=4 8860 B12R0.104 CC(C)(F)CCNC(=O)NCCO 2708a_100016253952_100000210304 [0,2,0,0,0,0|2,0,0]=4 8861 B12R0.104 CC(C)(F)CCNC(=O)NCCO 273464a_100000210304_100016253952 [0,2,0,0,0,0|2,0,0]=4 8862 B12R0.104 CC(C)(F)CCNC(=O)NCCO 273464a_100016253952_100000210304 [0,2,0,0,0,0|2,0,0]=4 8863 B12R0.104 CC(C)(F)CCNC(=O)NCCO 512a_100016253952_100000210304 [0,2,0,0,0,0|2,0,0]=4 8864 B12R0.104 CC(C)(O)CCNC(=O)CCC#N 1626a_100000707701_100011934036 [0,2,0,0,0,0|1,0,1]=4 8865 B12R0.104 CC(C)(O)CCNC(=O)CCC#N 527a_100000707701_100011934036 [0,2,0,0,0,0|1,0,1]=4 8866 B12R0.104 CC(C)(O)CCNC(=O)NCCF 2708a_100000707701_100000724931 [0,2,0,0,0,0|2,0,0]=4 8867 B12R0.104 CC(C)(O)CCNC(=O)NCCF 273464a_100000707701_100000724931 [0,2,0,0,0,0|2,0,0]=4 8868 B12R0.104 CC(C)(O)CCNC(=O)NCCF 273464a_100000724931_100000707701 [0,2,0,0,0,0|2,0,0]=4 8869 B12R0.104 CC(C)(O)CCNC(=O)NCCF 512a_100000707701_100000724931 [0,2,0,0,0,0|2,0,0]=4 8870 B12R0.104 CC(C)(O)CCNC(=O)NCCO 2708a_100000707701_100000210304 [0,2,0,0,0,0|2,0,0]=4 8871 B12R0.104 CC(C)(O)CCNC(=O)NCCO 273464a_100000210304_100000707701 [0,2,0,0,0,0|2,0,0]=4 8872 B12R0.104 CC(C)(O)CCNC(=O)NCCO 273464a_100000707701_100000210304 [0,2,0,0,0,0|2,0,0]=4 8873 B12R0.104 CC(C)(O)CCNC(=O)NCCO 512a_100000707701_100000210304 [0,2,0,0,0,0|2,0,0]=4 8874 B12R0.104 CC(CCCCl)OCCC(C)(C)C 34a_200000718107_100000755188 [0,2,0,0,0,0|1,0,1]=4 8875 B12R0.104 CC(CCCCl)OCCC(C)(C)C 7a_200000718107_100000755188 [0,2,0,0,0,0|1,0,1]=4 8876 B12R0.104 CC(CCCCl)OCCC(C)(C)O 34a_200000718107_100000702414 [0,2,0,0,0,0|1,0,1]=4 8877 B12R0.104 CC(CCCCl)OCCC(C)(C)O 7a_200000718107_100000702414 [0,2,0,0,0,0|1,0,1]=4 8878 B12R0.104 CC=CCC(=O)NCCC(C)(C)C 11a_100000738805_100121576822 [0,2,0,0,0,0|1,0,1]=4 8879 B12R0.104 CC=CCC(=O)NCCC(C)(C)C 1626a_100000738805_100121576822 [0,2,0,0,0,0|1,0,1]=4 8880 B12R0.104 CC=CCC(=O)NCCC(C)(C)C 240690a_100000738805_100121576822 [0,2,0,0,0,0|1,0,1]=4 8881 B12R0.104 CC=CCC(=O)NCCC(C)(C)C 527a_100000738805_100121576822 [0,2,0,0,0,0|1,0,1]=4 8882 B12R0.104 CC=CCC(=O)NCCC(C)(C)F 11a_100016253952_100121576822 [0,2,0,0,0,0|1,0,1]=4 8883 B12R0.104 CC=CCC(=O)NCCC(C)(C)F 1626a_100016253952_100121576822 [0,2,0,0,0,0|1,0,1]=4 8884 B12R0.104 CC=CCC(=O)NCCC(C)(C)F 240690a_100016253952_100121576822 [0,2,0,0,0,0|1,0,1]=4 8885 B12R0.104 CC=CCC(=O)NCCC(C)(C)F 527a_100016253952_100121576822 [0,2,0,0,0,0|1,0,1]=4 8886 B12R0.104 CC=CCC(=O)NCCC(C)(C)O 1626a_100000707701_100121576822 [0,2,0,0,0,0|1,0,1]=4 8887 B12R0.104 CC=CCC(=O)NCCC(C)(C)O 527a_100000707701_100121576822 [0,2,0,0,0,0|1,0,1]=4 8888 B12R0.104 CCC=CC(=O)NCCC(C)(C)C 11a_100000738805_100000212282 [0,2,0,0,0,0|1,0,1]=4 8889 B12R0.104 CCC=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000212282 [0,2,0,0,0,0|1,0,1]=4 8890 B12R0.104 CCC=CC(=O)NCCC(C)(C)C 240690a_100000738805_100000212282 [0,2,0,0,0,0|1,0,1]=4 8891 B12R0.104 CCC=CC(=O)NCCC(C)(C)F 11a_100016253952_100000212282 [0,2,0,0,0,0|1,0,1]=4 8892 B12R0.104 CCC=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000212282 [0,2,0,0,0,0|1,0,1]=4 8893 B12R0.104 CCC=CC(=O)NCCC(C)(C)F 240690a_100016253952_100000212282 [0,2,0,0,0,0|1,0,1]=4 8894 B12R0.104 CCC=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000212282 [0,2,0,0,0,0|1,0,1]=4 8895 B12R0.104 CCCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210211 [0,2,0,0,0,0|2,0,0]=4 8896 B12R0.104 CCCCC(=O)CCC[N+](C)(C)C 1458a_100000210183_100016990835 [0,2,0,0,0,0|2,0,0]=4 8897 B12R0.104 CCCCC(=O)CCC[Si](C)(C)C 1458a_100000210183_100011219597 [0,2,0,0,0,0|1,1,0]=4 8898 B12R0.104 CCCCC(=O)NCCC(C)(C)C 11a_100000738805_100000210183 [0,2,0,0,0,0|1,0,0]=3 8899 B12R0.104 CCCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210183 [0,2,0,0,0,0|1,0,0]=3 8900 B12R0.104 CCCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210183 [0,2,0,0,0,0|1,0,0]=3 8901 B12R0.104 CCCCC(=O)NCCC(C)(C)C 527a_100000738805_100000210183 [0,2,0,0,0,0|1,0,0]=3 8902 B12R0.104 CCCCC(=O)NCCC(C)(C)F 11a_100016253952_100000210183 [0,2,0,0,0,0|1,0,0]=3 8903 B12R0.104 CCCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210183 [0,2,0,0,0,0|1,0,0]=3 8904 B12R0.104 CCCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210183 [0,2,0,0,0,0|1,0,0]=3 8905 B12R0.104 CCCCC(=O)NCCC(C)(C)F 527a_100016253952_100000210183 [0,2,0,0,0,0|1,0,0]=3 8906 B12R0.104 CCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210183 [0,2,0,0,0,0|1,0,0]=3 8907 B12R0.104 CCCCC(=O)NCCC(C)(C)O 527a_100000707701_100000210183 [0,2,0,0,0,0|1,0,0]=3 8908 B12R0.104 CCCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210183 [0,2,0,0,0,0|2,0,0]=4 8909 B12R0.104 CCCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210183 [0,2,0,0,0,0|2,0,0]=4 8910 B12R0.104 CCCCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000210183 [0,2,0,0,0,0|2,0,0]=4 8911 B12R0.104 CCCCC(C)OCCC(C)(C)C 34a_100000687866_100000755188 [0,2,0,0,0,0|1,0,1]=4 8912 B12R0.104 CCCCC(C)OCCC(C)(C)C 7a_100000687866_100000755188 [0,2,0,0,0,0|1,0,1]=4 8913 B12R0.104 CCCCC(C)OCCC(C)(C)C 7a_100000765024_200011215066 [0,2,0,0,0,0|1,0,1]=4 8914 B12R0.104 CCCCC(C)OCCC(C)(C)O 34a_100000687866_100000702414 [0,2,0,0,0,0|1,0,1]=4 8915 B12R0.104 CCCCC(C)OCCC(C)(C)O 7a_100000687866_100000702414 [0,2,0,0,0,0|1,0,1]=4 8916 B12R0.104 CCCNC(=O)CCC[N+](C)(C)C 11a_100020643023_100000085584 [0,2,0,0,0,0|2,0,0]=4 8917 B12R0.104 CCCNC(=O)CCC[N+](C)(C)C 1626a_100020643023_100000085584 [0,2,0,0,0,0|2,0,0]=4 8918 B12R0.104 CCCNC(=O)CCC[N+](C)(C)C 240690a_100020643023_100000085584 [0,2,0,0,0,0|2,0,0]=4 8919 B12R0.104 CCCNC(=O)CCC[N+](C)(C)C 527a_100020643023_100000085584 [0,2,0,0,0,0|2,0,0]=4 8920 B12R0.104 CCCNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183358 [0,2,0,0,0,0|2,0,0]=4 8921 B12R0.104 CCCNC(=O)CNCC(C)(C)C 270004a_100000174927_100011204126 [0,2,0,0,0,0|2,0,0]=4 8922 B12R0.104 CCCNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183358 [0,2,0,0,0,0|2,0,0]=4 8923 B12R0.104 CCCNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183358 [0,2,0,0,0,0|2,0,0]=4 8924 B12R0.104 CCCNC(=O)COCC(C)(C)F 34a_100000716592_100000183358 [0,2,0,0,0,0|2,0,0]=4 8925 B12R0.104 CCCNC(=O)CSCC(C)(C)C 62a_100000183358_100011219605 [0,2,0,0,0,0|2,0,0]=4 8926 B12R0.104 CCCNC(=O)CSCC(C)(C)C 62a_100011219605_100000183358 [0,2,0,0,0,0|2,0,0]=4 8927 B12R0.104 CCCNC(=O)CSCC(C)(C)F 62a_100000183358_100011997219 [0,2,0,0,0,0|2,0,0]=4 8928 B12R0.104 CCCNC(=O)CSCC(C)(C)F 62a_100011997219_100000183358 [0,2,0,0,0,0|2,0,0]=4 8929 B12R0.104 CCCNC(=O)CSCC(C)(C)O 62a_100000183358_100000764493 [0,2,0,0,0,0|2,0,0]=4 8930 B12R0.104 CCCNC(=O)CSCC(C)(C)O 62a_100000764493_100000183358 [0,2,0,0,0,0|2,0,0]=4 8931 B12R0.104 CCCNC(=O)NCCC(C)(C)C 2708a_100000738805_100020643023 [0,2,0,0,0,0|1,0,0]=3 8932 B12R0.104 CCCNC(=O)NCCC(C)(C)C 2708a_100020643023_100000738805 [0,2,0,0,0,0|1,0,0]=3 8933 B12R0.104 CCCNC(=O)NCCC(C)(C)C 273464a_100000738805_100020643023 [0,2,0,0,0,0|1,0,0]=3 8934 B12R0.104 CCCNC(=O)NCCC(C)(C)C 273464a_100020643023_100000738805 [0,2,0,0,0,0|1,0,0]=3 8935 B12R0.104 CCCNC(=O)NCCC(C)(C)C 512a_100000738805_100020643023 [0,2,0,0,0,0|1,0,0]=3 8936 B12R0.104 CCCNC(=O)NCCC(C)(C)C 512a_100020643023_100000738805 [0,2,0,0,0,0|1,0,0]=3 8937 B12R0.104 CCCNC(=O)NCCC(C)(C)F 2708a_100016253952_100020643023 [0,2,0,0,0,0|1,0,0]=3 8938 B12R0.104 CCCNC(=O)NCCC(C)(C)F 2708a_100020643023_100016253952 [0,2,0,0,0,0|1,0,0]=3 8939 B12R0.104 CCCNC(=O)NCCC(C)(C)F 273464a_100016253952_100020643023 [0,2,0,0,0,0|1,0,0]=3 8940 B12R0.104 CCCNC(=O)NCCC(C)(C)F 273464a_100020643023_100016253952 [0,2,0,0,0,0|1,0,0]=3 8941 B12R0.104 CCCNC(=O)NCCC(C)(C)F 512a_100016253952_100020643023 [0,2,0,0,0,0|1,0,0]=3 8942 B12R0.104 CCCNC(=O)NCCC(C)(C)F 512a_100020643023_100016253952 [0,2,0,0,0,0|1,0,0]=3 8943 B12R0.104 CCCNC(=O)NCCC(C)(C)O 2708a_100000707701_100020643023 [0,2,0,0,0,0|1,0,0]=3 8944 B12R0.104 CCCNC(=O)NCCC(C)(C)O 2708a_100020643023_100000707701 [0,2,0,0,0,0|1,0,0]=3 8945 B12R0.104 CCCNC(=O)NCCC(C)(C)O 273464a_100000707701_100020643023 [0,2,0,0,0,0|1,0,0]=3 8946 B12R0.104 CCCNC(=O)NCCC(C)(C)O 273464a_100020643023_100000707701 [0,2,0,0,0,0|1,0,0]=3 8947 B12R0.104 CCCNC(=O)NCCC(C)(C)O 512a_100000707701_100020643023 [0,2,0,0,0,0|1,0,0]=3 8948 B12R0.104 CCCNC(=O)NCCC(C)(C)O 512a_100020643023_100000707701 [0,2,0,0,0,0|1,0,0]=3 8949 B12R0.104 CCCNC(=O)NCC[N+](C)(C)C 2708a_100020643023_100000106457 [0,2,0,0,0,0|2,0,0]=4 8950 B12R0.104 CCCNC(=O)NCC[N+](C)(C)C 273464a_100000106457_100020643023 [0,2,0,0,0,0|2,0,0]=4 8951 B12R0.104 CCCNC(=O)NCC[N+](C)(C)C 273464a_100020643023_100000106457 [0,2,0,0,0,0|2,0,0]=4 8952 B12R0.104 CCCNC(=O)NCC[N+](C)(C)C 512a_100000106457_100020643023 [0,2,0,0,0,0|2,0,0]=4 8953 B12R0.104 CCCNC(=O)NCC[N+](C)(C)C 512a_100020643023_100000106457 [0,2,0,0,0,0|2,0,0]=4 8954 B12R0.104 CCCOC(=O)CNCC(C)(C)C 2230a_100000743828_200011215008 [0,2,0,0,0,0|2,0,0]=4 8955 B12R0.104 CCCOC(=O)CNCC(C)(C)F 2230a_100020643315_200011215008 [0,2,0,0,0,0|2,0,0]=4 8956 B12R0.104 CCCOC(=O)CNCC(C)(C)O 2230a_100000751335_200011215008 [0,2,0,0,0,0|2,0,0]=4 8957 B12R0.104 CCCOC(=O)COCC(C)(C)F 34a_100000716592_200011215008 [0,2,0,0,0,0|2,0,0]=4 8958 B12R0.104 CCCOC(=O)CSCC(C)(C)C 62a_100011219605_200011215008 [0,2,0,0,0,0|2,0,0]=4 8959 B12R0.104 CCCOC(=O)CSCC(C)(C)C 62a_200011215008_100011219605 [0,2,0,0,0,0|2,0,0]=4 8960 B12R0.104 CCCOC(=O)CSCC(C)(C)F 62a_100011997219_200011215008 [0,2,0,0,0,0|2,0,0]=4 8961 B12R0.104 CCCOC(=O)CSCC(C)(C)F 62a_200011215008_100011997219 [0,2,0,0,0,0|2,0,0]=4 8962 B12R0.104 CCCOC(=O)CSCC(C)(C)O 62a_100000764493_200011215008 [0,2,0,0,0,0|2,0,0]=4 8963 B12R0.104 CCCOC(=O)CSCC(C)(C)O 62a_200011215008_100000764493 [0,2,0,0,0,0|2,0,0]=4 8964 B12R0.104 CCCOC(=O)OCOC(C)(C)C 34a_100015890283_200000139673 [0,2,0,0,0,0|1,0,0]=3 8965 B12R0.104 CCCOC(=O)OCOC(C)(C)C 7a_100015890283_200000139673 [0,2,0,0,0,0|1,0,0]=3 8966 B12R0.104 CCCOC(=O)OCSC(C)(C)C 62a_100000211941_200000139673 [0,2,0,0,0,0|1,0,0]=3 8967 B12R0.104 CCNNC(=O)NCCC(C)(C)C 273464a_100000738805_100000756455 [0,2,0,0,0,0|2,0,0]=4 8968 B12R0.104 CCNNC(=O)NCCC(C)(C)C 512a_100000738805_100000756455 [0,2,0,0,0,0|2,0,0]=4 8969 B12R0.104 CCNNC(=O)NCCC(C)(C)C 512a_100000756455_100000738805 [0,2,0,0,0,0|2,0,0]=4 8970 B12R0.104 CCNNC(=O)NCCC(C)(C)F 273464a_100016253952_100000756455 [0,2,0,0,0,0|2,0,0]=4 8971 B12R0.104 CCNNC(=O)NCCC(C)(C)F 512a_100000756455_100016253952 [0,2,0,0,0,0|2,0,0]=4 8972 B12R0.104 CCNNC(=O)NCCC(C)(C)F 512a_100016253952_100000756455 [0,2,0,0,0,0|2,0,0]=4 8973 B12R0.104 CCNNC(=O)NCCC(C)(C)O 273464a_100000707701_100000756455 [0,2,0,0,0,0|2,0,0]=4 8974 B12R0.104 CCNNC(=O)NCCC(C)(C)O 512a_100000707701_100000756455 [0,2,0,0,0,0|2,0,0]=4 8975 B12R0.104 CCNNC(=O)NCCC(C)(C)O 512a_100000756455_100000707701 [0,2,0,0,0,0|2,0,0]=4 8976 B12R0.104 CCOCC(=O)CCC[N+](C)(C)C 1458a_100000211967_100016990835 [0,2,0,0,0,0|2,0,0]=4 8977 B12R0.104 CCOCC(=O)CCC[Si](C)(C)C 1458a_100000211967_100011219597 [0,2,0,0,0,0|1,1,0]=4 8978 B12R0.104 CCOCC(=O)NCCC(C)(C)C 11a_100000738805_100000211967 [0,2,0,0,0,0|1,0,0]=3 8979 B12R0.104 CCOCC(=O)NCCC(C)(C)C 1626a_100000738805_100000211967 [0,2,0,0,0,0|1,0,0]=3 8980 B12R0.104 CCOCC(=O)NCCC(C)(C)C 240690a_100000738805_100000211967 [0,2,0,0,0,0|1,0,0]=3 8981 B12R0.104 CCOCC(=O)NCCC(C)(C)C 527a_100000738805_100000211967 [0,2,0,0,0,0|1,0,0]=3 8982 B12R0.104 CCOCC(=O)NCCC(C)(C)F 11a_100016253952_100000211967 [0,2,0,0,0,0|1,0,0]=3 8983 B12R0.104 CCOCC(=O)NCCC(C)(C)F 1626a_100016253952_100000211967 [0,2,0,0,0,0|1,0,0]=3 8984 B12R0.104 CCOCC(=O)NCCC(C)(C)F 240690a_100016253952_100000211967 [0,2,0,0,0,0|1,0,0]=3 8985 B12R0.104 CCOCC(=O)NCCC(C)(C)F 527a_100016253952_100000211967 [0,2,0,0,0,0|1,0,0]=3 8986 B12R0.104 CCOCC(=O)NCCC(C)(C)O 1626a_100000707701_100000211967 [0,2,0,0,0,0|1,0,0]=3 8987 B12R0.104 CCOCC(=O)NCCC(C)(C)O 527a_100000707701_100000211967 [0,2,0,0,0,0|1,0,0]=3 8988 B12R0.104 CCOCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000211967 [0,2,0,0,0,0|2,0,0]=4 8989 B12R0.104 CCOCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000211967 [0,2,0,0,0,0|2,0,0]=4 8990 B12R0.104 CCOCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000211967 [0,2,0,0,0,0|2,0,0]=4 8991 B12R0.104 CCOCC(C)OCCC(C)(C)C 34a_100000718985_100000755188 [0,2,0,0,0,0|1,0,1]=4 8992 B12R0.104 CCOCC(C)OCCC(C)(C)C 7a_100000718985_100000755188 [0,2,0,0,0,0|1,0,1]=4 8993 B12R0.104 CCOCC(C)OCCC(C)(C)O 34a_100000718985_100000702414 [0,2,0,0,0,0|1,0,1]=4 8994 B12R0.104 CCOCC(C)OCCC(C)(C)O 7a_100000718985_100000702414 [0,2,0,0,0,0|1,0,1]=4 8995 B12R0.104 CCSCC(=O)CCC[N+](C)(C)C 1458a_100000230394_100016990835 [0,2,0,0,0,0|2,0,0]=4 8996 B12R0.104 CCSCC(=O)CCC[Si](C)(C)C 1458a_100000230394_100011219597 [0,2,0,0,0,0|1,1,0]=4 8997 B12R0.104 CCSCC(=O)NCCC(C)(C)C 11a_100000738805_100000230394 [0,2,0,0,0,0|1,0,0]=3 8998 B12R0.104 CCSCC(=O)NCCC(C)(C)C 1626a_100000738805_100000230394 [0,2,0,0,0,0|1,0,0]=3 8999 B12R0.104 CCSCC(=O)NCCC(C)(C)C 240690a_100000738805_100000230394 [0,2,0,0,0,0|1,0,0]=3 9000 B12R0.104 CCSCC(=O)NCCC(C)(C)C 527a_100000738805_100000230394 [0,2,0,0,0,0|1,0,0]=3 9001 B12R0.104 CCSCC(=O)NCCC(C)(C)F 11a_100016253952_100000230394 [0,2,0,0,0,0|1,0,0]=3 9002 B12R0.104 CCSCC(=O)NCCC(C)(C)F 1626a_100016253952_100000230394 [0,2,0,0,0,0|1,0,0]=3 9003 B12R0.104 CCSCC(=O)NCCC(C)(C)F 240690a_100016253952_100000230394 [0,2,0,0,0,0|1,0,0]=3 9004 B12R0.104 CCSCC(=O)NCCC(C)(C)F 527a_100016253952_100000230394 [0,2,0,0,0,0|1,0,0]=3 9005 B12R0.104 CCSCC(=O)NCCC(C)(C)O 1626a_100000707701_100000230394 [0,2,0,0,0,0|1,0,0]=3 9006 B12R0.104 CCSCC(=O)NCCC(C)(C)O 527a_100000707701_100000230394 [0,2,0,0,0,0|1,0,0]=3 9007 B12R0.104 CCSCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000230394 [0,2,0,0,0,0|2,0,0]=4 9008 B12R0.104 CCSCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000230394 [0,2,0,0,0,0|2,0,0]=4 9009 B12R0.104 CCSCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000230394 [0,2,0,0,0,0|2,0,0]=4 9010 B12R0.104 COCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000233755 [0,2,0,0,0,0|2,0,0]=4 9011 B12R0.104 COCCC(=O)CCC[N+](C)(C)C 1458a_100000749529_100016990835 [0,2,0,0,0,0|2,0,0]=4 9012 B12R0.104 COCCC(=O)CCC[Si](C)(C)C 1458a_100000749529_100011219597 [0,2,0,0,0,0|1,1,0]=4 9013 B12R0.104 COCCC(=O)NCCC(C)(C)C 11a_100000738805_100000749529 [0,2,0,0,0,0|1,0,0]=3 9014 B12R0.104 COCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000749529 [0,2,0,0,0,0|1,0,0]=3 9015 B12R0.104 COCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000749529 [0,2,0,0,0,0|1,0,0]=3 9016 B12R0.104 COCCC(=O)NCCC(C)(C)C 527a_100000738805_100000749529 [0,2,0,0,0,0|1,0,0]=3 9017 B12R0.104 COCCC(=O)NCCC(C)(C)F 11a_100016253952_100000749529 [0,2,0,0,0,0|1,0,0]=3 9018 B12R0.104 COCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000749529 [0,2,0,0,0,0|1,0,0]=3 9019 B12R0.104 COCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000749529 [0,2,0,0,0,0|1,0,0]=3 9020 B12R0.104 COCCC(=O)NCCC(C)(C)F 527a_100016253952_100000749529 [0,2,0,0,0,0|1,0,0]=3 9021 B12R0.104 COCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000749529 [0,2,0,0,0,0|1,0,0]=3 9022 B12R0.104 COCCC(=O)NCCC(C)(C)O 527a_100000707701_100000749529 [0,2,0,0,0,0|1,0,0]=3 9023 B12R0.104 COCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000749529 [0,2,0,0,0,0|2,0,0]=4 9024 B12R0.104 COCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000749529 [0,2,0,0,0,0|2,0,0]=4 9025 B12R0.104 COCCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000749529 [0,2,0,0,0,0|2,0,0]=4 9026 B12R0.104 CSCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000751147 [0,2,0,0,0,0|2,0,0]=4 9027 B12R0.104 CSCCC(=O)CCC[N+](C)(C)C 1458a_100000174002_100016990835 [0,2,0,0,0,0|2,0,0]=4 9028 B12R0.104 CSCCC(=O)CCC[Si](C)(C)C 1458a_100000174002_100011219597 [0,2,0,0,0,0|1,1,0]=4 9029 B12R0.104 CSCCC(=O)NCCC(C)(C)C 11a_100000738805_100000174002 [0,2,0,0,0,0|1,0,0]=3 9030 B12R0.104 CSCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000174002 [0,2,0,0,0,0|1,0,0]=3 9031 B12R0.104 CSCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000174002 [0,2,0,0,0,0|1,0,0]=3 9032 B12R0.104 CSCCC(=O)NCCC(C)(C)C 527a_100000738805_100000174002 [0,2,0,0,0,0|1,0,0]=3 9033 B12R0.104 CSCCC(=O)NCCC(C)(C)F 11a_100016253952_100000174002 [0,2,0,0,0,0|1,0,0]=3 9034 B12R0.104 CSCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000174002 [0,2,0,0,0,0|1,0,0]=3 9035 B12R0.104 CSCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000174002 [0,2,0,0,0,0|1,0,0]=3 9036 B12R0.104 CSCCC(=O)NCCC(C)(C)F 527a_100016253952_100000174002 [0,2,0,0,0,0|1,0,0]=3 9037 B12R0.104 CSCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000174002 [0,2,0,0,0,0|1,0,0]=3 9038 B12R0.104 CSCCC(=O)NCCC(C)(C)O 527a_100000707701_100000174002 [0,2,0,0,0,0|1,0,0]=3 9039 B12R0.104 CSCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000174002 [0,2,0,0,0,0|2,0,0]=4 9040 B12R0.104 CSCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000174002 [0,2,0,0,0,0|2,0,0]=4 9041 B12R0.104 CSCCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000174002 [0,2,0,0,0,0|2,0,0]=4 9042 B12R0.104 C[N+](C)(C)CCCC(=O)CCCF 1458a_100000085584_100011934791 [0,2,0,0,0,0|2,0,0]=4 9043 B12R0.104 C[N+](C)(C)CCCC(=O)CCCO 1458a_100000085584_100011215043 [0,2,0,0,0,0|2,0,0]=4 9044 B12R0.233 C#CCCCC(=O)CCCC(C)C 1458a_100000690238_100011214892 [0,2,0,0,0,0|1,0,0]=3 9045 B12R0.233 C#CCCCC(=O)CCCC(C)C 1458a_100011216857_100000731252 [0,2,0,0,0,0|1,0,0]=3 9046 B12R0.233 C#CCCCC(=O)CCCC(C)O 1458a_100000690238_200000718107 [0,2,0,0,0,0|2,0,0]=4 9047 B12R0.233 C#CCCCC(=O)CCCN(C)C 1458a_100000690238_100000695564 [0,2,0,0,0,0|2,0,0]=4 9048 B12R0.233 C#CCCCC(=O)CCOC(C)C 1458a_100000690238_100000211751 [0,2,0,0,0,0|2,0,0]=4 9049 B12R0.233 C#CCCCC(=O)CCSC(C)C 1458a_100000690238_100000730970 [0,2,0,0,0,0|2,0,0]=4 9050 B12R0.233 C#CCCCC(=O)COCC(C)C 1458a_100011223364_100000731252 [0,2,0,0,0,0|2,0,0]=4 9051 B12R0.233 C#CCCCC(=O)NCCC(C)C 11a_100000210545_100000690238 [0,2,0,0,0,0|1,0,0]=3 9052 B12R0.233 C#CCCCC(=O)NCCC(C)C 1626a_100000210545_100000690238 [0,2,0,0,0,0|1,0,0]=3 9053 B12R0.233 C#CCCCC(=O)NCCC(C)C 240690a_100000210545_100000690238 [0,2,0,0,0,0|1,0,0]=3 9054 B12R0.233 C#CCCCC(=O)NCCC(C)C 527a_100000210545_100000690238 [0,2,0,0,0,0|1,0,0]=3 9055 B12R0.233 C#CCCCC(=O)NCCC(C)O 240690a_200000755665_100000690238 [0,2,0,0,0,0|2,0,0]=4 9056 B12R0.233 C#CCCCC(=O)NCCC(C)O 527a_200000755665_100000690238 [0,2,0,0,0,0|2,0,0]=4 9057 B12R0.233 C#CCCCC(=O)NCCN(C)C 240690a_100000210585_100000690238 [0,2,0,0,0,0|2,0,0]=4 9058 B12R0.233 C#CCCCC(=O)NCCN(C)C 527a_100000210585_100000690238 [0,2,0,0,0,0|2,0,0]=4 9059 B12R0.233 C#CCCCC(=O)NNCC(C)C 22a_100000696102_100000690238 [0,2,0,0,0,0|2,0,0]=4 9060 B12R0.233 C#CCCNC(=O)CCCC(C)C 11a_100000755551_100011216857 [0,2,0,0,0,0|1,0,1]=4 9061 B12R0.233 C#CCCNC(=O)CCCC(C)C 1626a_100000755551_100011216857 [0,2,0,0,0,0|1,0,1]=4 9062 B12R0.233 C#CCCNC(=O)CCCC(C)C 240690a_100000755551_100011216857 [0,2,0,0,0,0|1,0,1]=4 9063 B12R0.233 C#CCCNC(=O)CCCC(C)C 527a_100000755551_100011216857 [0,2,0,0,0,0|1,0,1]=4 9064 B12R0.233 C#CCCNC(=O)NCCC(C)C 2708a_100000210545_100000755551 [0,2,0,0,0,0|1,0,1]=4 9065 B12R0.233 C#CCCNC(=O)NCCC(C)C 2708a_100000755551_100000210545 [0,2,0,0,0,0|1,0,1]=4 9066 B12R0.233 C#CCCNC(=O)NCCC(C)C 273464a_100000210545_100000755551 [0,2,0,0,0,0|1,0,1]=4 9067 B12R0.233 C#CCCNC(=O)NCCC(C)C 273464a_100000755551_100000210545 [0,2,0,0,0,0|1,0,1]=4 9068 B12R0.233 C#CCCNC(=O)NCCC(C)C 512a_100000210545_100000755551 [0,2,0,0,0,0|1,0,1]=4 9069 B12R0.233 C#CCCNC(=O)NCCC(C)C 512a_100000755551_100000210545 [0,2,0,0,0,0|1,0,1]=4 9070 B12R0.233 C#CCOCC(=O)CCCC(C)C 1458a_100011251226_100011214892 [0,2,0,0,0,0|1,0,1]=4 9071 B12R0.233 C#CCOCC(=O)NCCC(C)C 11a_100000210545_100011251226 [0,2,0,0,0,0|1,0,1]=4 9072 B12R0.233 C#CCOCC(=O)NCCC(C)C 1626a_100000210545_100011251226 [0,2,0,0,0,0|1,0,1]=4 9073 B12R0.233 C#CCOCC(=O)NCCC(C)C 527a_100000210545_100011251226 [0,2,0,0,0,0|1,0,1]=4 9074 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100000766728_100011214892 [0,2,0,0,0,0|1,0,0]=3 9075 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100011216857_100000757094 [0,2,0,0,0,0|1,0,0]=3 9076 B12R0.233 C=CCCCC(=O)CCCC(C)O 1458a_100000766728_200000718107 [0,2,0,0,0,0|2,0,0]=4 9077 B12R0.233 C=CCCCC(=O)CCCN(C)C 1458a_100000766728_100000695564 [0,2,0,0,0,0|2,0,0]=4 9078 B12R0.233 C=CCCCC(=O)CCOC(C)C 1458a_100000766728_100000211751 [0,2,0,0,0,0|2,0,0]=4 9079 B12R0.233 C=CCCCC(=O)CCSC(C)C 1458a_100000766728_100000730970 [0,2,0,0,0,0|2,0,0]=4 9080 B12R0.233 C=CCCCC(=O)COCC(C)C 1458a_100011223364_100000757094 [0,2,0,0,0,0|2,0,0]=4 9081 B12R0.233 C=CCCCC(=O)NCCC(C)C 11a_100000210545_100000766728 [0,2,0,0,0,0|1,0,0]=3 9082 B12R0.233 C=CCCCC(=O)NCCC(C)C 1626a_100000210545_100000766728 [0,2,0,0,0,0|1,0,0]=3 9083 B12R0.233 C=CCCCC(=O)NCCC(C)C 240690a_100000210545_100000766728 [0,2,0,0,0,0|1,0,0]=3 9084 B12R0.233 C=CCCCC(=O)NCCC(C)C 527a_100000210545_100000766728 [0,2,0,0,0,0|1,0,0]=3 9085 B12R0.233 C=CCCCC(=O)NCCC(C)O 240690a_200000755665_100000766728 [0,2,0,0,0,0|2,0,0]=4 9086 B12R0.233 C=CCCCC(=O)NCCC(C)O 527a_200000755665_100000766728 [0,2,0,0,0,0|2,0,0]=4 9087 B12R0.233 C=CCCCC(=O)NCCN(C)C 240690a_100000210585_100000766728 [0,2,0,0,0,0|2,0,0]=4 9088 B12R0.233 C=CCCCC(=O)NCCN(C)C 527a_100000210585_100000766728 [0,2,0,0,0,0|2,0,0]=4 9089 B12R0.233 C=CCCCC(=O)NNCC(C)C 22a_100000696102_100000766728 [0,2,0,0,0,0|2,0,0]=4 9090 B12R0.233 C=CCCNC(=O)CCCC(C)C 11a_100015191253_100011216857 [0,2,0,0,0,0|1,0,1]=4 9091 B12R0.233 C=CCCNC(=O)CCCC(C)C 1626a_100015191253_100011216857 [0,2,0,0,0,0|1,0,1]=4 9092 B12R0.233 C=CCCNC(=O)CCCC(C)C 240690a_100015191253_100011216857 [0,2,0,0,0,0|1,0,1]=4 9093 B12R0.233 C=CCCNC(=O)CCCC(C)C 527a_100015191253_100011216857 [0,2,0,0,0,0|1,0,1]=4 9094 B12R0.233 C=CCCNC(=O)NCCC(C)C 2708a_100000210545_100015191253 [0,2,0,0,0,0|1,0,1]=4 9095 B12R0.233 C=CCCNC(=O)NCCC(C)C 2708a_100015191253_100000210545 [0,2,0,0,0,0|1,0,1]=4 9096 B12R0.233 C=CCCNC(=O)NCCC(C)C 273464a_100000210545_100015191253 [0,2,0,0,0,0|1,0,1]=4 9097 B12R0.233 C=CCCNC(=O)NCCC(C)C 273464a_100015191253_100000210545 [0,2,0,0,0,0|1,0,1]=4 9098 B12R0.233 C=CCCNC(=O)NCCC(C)C 512a_100000210545_100015191253 [0,2,0,0,0,0|1,0,1]=4 9099 B12R0.233 C=CCCNC(=O)NCCC(C)C 512a_100015191253_100000210545 [0,2,0,0,0,0|1,0,1]=4 9100 B12R0.233 C=CCSCC(=O)CCCC(C)C 1458a_100000230395_100011214892 [0,2,0,0,0,0|1,0,1]=4 9101 B12R0.233 C=CCSCC(=O)NCCC(C)C 11a_100000210545_100000230395 [0,2,0,0,0,0|1,0,1]=4 9102 B12R0.233 C=CCSCC(=O)NCCC(C)C 1626a_100000210545_100000230395 [0,2,0,0,0,0|1,0,1]=4 9103 B12R0.233 C=CCSCC(=O)NCCC(C)C 240690a_100000210545_100000230395 [0,2,0,0,0,0|1,0,1]=4 9104 B12R0.233 C=CCSCC(=O)NCCC(C)C 527a_100000210545_100000230395 [0,2,0,0,0,0|1,0,1]=4 9105 B12R0.233 C=COCCC(=O)CCCC(C)C 1458a_100011216857_100000039644 [0,2,0,0,0,0|1,0,1]=4 9106 B12R0.233 CC#CCNC(=O)CCCC(C)C 11a_100000685387_100011216857 [0,2,0,0,0,0|1,0,1]=4 9107 B12R0.233 CC#CCNC(=O)CCCC(C)C 1626a_100000685387_100011216857 [0,2,0,0,0,0|1,0,1]=4 9108 B12R0.233 CC#CCNC(=O)CCCC(C)C 527a_100000685387_100011216857 [0,2,0,0,0,0|1,0,1]=4 9109 B12R0.233 CC#CCNC(=O)NCCC(C)C 2708a_100000210545_100000685387 [0,2,0,0,0,0|1,0,1]=4 9110 B12R0.233 CC#CCNC(=O)NCCC(C)C 273464a_100000210545_100000685387 [0,2,0,0,0,0|1,0,1]=4 9111 B12R0.233 CC#CCNC(=O)NCCC(C)C 273464a_100000685387_100000210545 [0,2,0,0,0,0|1,0,1]=4 9112 B12R0.233 CC#CCNC(=O)NCCC(C)C 512a_100000210545_100000685387 [0,2,0,0,0,0|1,0,1]=4 9113 B12R0.233 CC#CCNC(=O)NCCC(C)C 512a_100000685387_100000210545 [0,2,0,0,0,0|1,0,1]=4 9114 B12R0.233 CC(C)CCCC(=O)CC#CCO 1458a_100011216857_200000047223 [0,2,0,0,0,0|1,0,1]=4 9115 B12R0.233 CC(C)CCCC(=O)CCCC#N 1458a_100000075515_100011214892 [0,2,0,0,0,0|1,0,0]=3 9116 B12R0.233 CC(C)CCCC(=O)CCCC#N 1458a_100011216857_100000211468 [0,2,0,0,0,0|1,0,0]=3 9117 B12R0.233 CC(C)CCCC(=O)CCCCF 1458a_100011216857_100000729493 [0,2,0,0,0,0|1,0,0]=3 9118 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100000695505_100011214892 [0,2,0,0,0,0|1,0,0]=3 9119 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100011216857_100000210776 [0,2,0,0,0,0|1,0,0]=3 9120 B12R0.233 CC(C)CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100011214892 [0,2,0,0,0,0|2,0,0]=4 9121 B12R0.233 CC(C)CCCC(=O)COCCO 1458a_100000708028_100011214892 [0,2,0,0,0,0|1,0,0]=3 9122 B12R0.233 CC(C)CCCC(=O)CSCC#N 1458a_100000150266_100011214892 [0,2,0,0,0,0|1,0,1]=4 9123 B12R0.233 CC(C)CCCC(=O)NCCC#N 11a_100000720768_100011216857 [0,2,0,0,0,0|1,0,1]=4 9124 B12R0.233 CC(C)CCCC(=O)NCCC#N 1626a_100000720768_100011216857 [0,2,0,0,0,0|1,0,1]=4 9125 B12R0.233 CC(C)CCCC(=O)NCCC#N 240690a_100000720768_100011216857 [0,2,0,0,0,0|1,0,1]=4 9126 B12R0.233 CC(C)CCCC(=O)NCCC#N 527a_100000720768_100011216857 [0,2,0,0,0,0|1,0,1]=4 9127 B12R0.233 CC(C)CCCC(=O)NCCCF 11a_100015189416_100011216857 [0,2,0,0,0,0|1,0,0]=3 9128 B12R0.233 CC(C)CCCC(=O)NCCCF 1626a_100015189416_100011216857 [0,2,0,0,0,0|1,0,0]=3 9129 B12R0.233 CC(C)CCCC(=O)NCCCF 240690a_100015189416_100011216857 [0,2,0,0,0,0|1,0,0]=3 9130 B12R0.233 CC(C)CCCC(=O)NCCCF 527a_100015189416_100011216857 [0,2,0,0,0,0|1,0,0]=3 9131 B12R0.233 CC(C)CCCC(=O)NCCCO 240690a_100000182051_100011216857 [0,2,0,0,0,0|1,0,0]=3 9132 B12R0.233 CC(C)CCCC(=O)NCCCO 527a_100000182051_100011216857 [0,2,0,0,0,0|1,0,0]=3 9133 B12R0.233 CC(C)CCCC(=O)NNCCO 22a_100000210001_100011216857 [0,2,0,0,0,0|2,0,0]=4 9134 B12R0.233 CC(C)CCNC(=O)CCCC#N 11a_100000210545_100000075515 [0,2,0,0,0,0|1,0,0]=3 9135 B12R0.233 CC(C)CCNC(=O)CCCC#N 1626a_100000210545_100000075515 [0,2,0,0,0,0|1,0,0]=3 9136 B12R0.233 CC(C)CCNC(=O)CCCC#N 240690a_100000210545_100000075515 [0,2,0,0,0,0|1,0,0]=3 9137 B12R0.233 CC(C)CCNC(=O)CCCC#N 527a_100000210545_100000075515 [0,2,0,0,0,0|1,0,0]=3 9138 B12R0.233 CC(C)CCNC(=O)CCCCO 1626a_100000210545_100000695505 [0,2,0,0,0,0|1,0,0]=3 9139 B12R0.233 CC(C)CCNC(=O)CCN=[N+]=[N-] 11a_100000210545_100000688302 [0,2,0,0,0,0|2,0,0]=4 9140 B12R0.233 CC(C)CCNC(=O)CCN=[N+]=[N-] 240690a_100000210545_100000688302 [0,2,0,0,0,0|2,0,0]=4 9141 B12R0.233 CC(C)CCNC(=O)COCCO 1626a_100000210545_100000708028 [0,2,0,0,0,0|1,0,0]=3 9142 B12R0.233 CC(C)CCNC(=O)COCCO 240690a_100000210545_100000708028 [0,2,0,0,0,0|1,0,0]=3 9143 B12R0.233 CC(C)CCNC(=O)CSCC#N 11a_100000210545_100000150266 [0,2,0,0,0,0|1,0,1]=4 9144 B12R0.233 CC(C)CCNC(=O)CSCC#N 1626a_100000210545_100000150266 [0,2,0,0,0,0|1,0,1]=4 9145 B12R0.233 CC(C)CCNC(=O)CSCC#N 240690a_100000210545_100000150266 [0,2,0,0,0,0|1,0,1]=4 9146 B12R0.233 CC(C)CCNC(=O)NCCC#N 2708a_100000210545_100000720768 [0,2,0,0,0,0|1,0,1]=4 9147 B12R0.233 CC(C)CCNC(=O)NCCC#N 2708a_100000720768_100000210545 [0,2,0,0,0,0|1,0,1]=4 9148 B12R0.233 CC(C)CCNC(=O)NCCC#N 273464a_100000210545_100000720768 [0,2,0,0,0,0|1,0,1]=4 9149 B12R0.233 CC(C)CCNC(=O)NCCC#N 273464a_100000720768_100000210545 [0,2,0,0,0,0|1,0,1]=4 9150 B12R0.233 CC(C)CCNC(=O)NCCC#N 512a_100000210545_100000720768 [0,2,0,0,0,0|1,0,1]=4 9151 B12R0.233 CC(C)CCNC(=O)NCCC#N 512a_100000720768_100000210545 [0,2,0,0,0,0|1,0,1]=4 9152 B12R0.233 CC(C)CCNC(=O)NCCCF 2708a_100000210545_100015189416 [0,2,0,0,0,0|1,0,0]=3 9153 B12R0.233 CC(C)CCNC(=O)NCCCF 2708a_100015189416_100000210545 [0,2,0,0,0,0|1,0,0]=3 9154 B12R0.233 CC(C)CCNC(=O)NCCCF 273464a_100000210545_100015189416 [0,2,0,0,0,0|1,0,0]=3 9155 B12R0.233 CC(C)CCNC(=O)NCCCF 273464a_100015189416_100000210545 [0,2,0,0,0,0|1,0,0]=3 9156 B12R0.233 CC(C)CCNC(=O)NCCCF 512a_100000210545_100015189416 [0,2,0,0,0,0|1,0,0]=3 9157 B12R0.233 CC(C)CCNC(=O)NCCCF 512a_100015189416_100000210545 [0,2,0,0,0,0|1,0,0]=3 9158 B12R0.233 CC(C)CCNC(=O)NCCCO 2708a_100000210545_100000182051 [0,2,0,0,0,0|1,0,0]=3 9159 B12R0.233 CC(C)CCNC(=O)NCCCO 273464a_100000182051_100000210545 [0,2,0,0,0,0|1,0,0]=3 9160 B12R0.233 CC(C)CCNC(=O)NCCCO 273464a_100000210545_100000182051 [0,2,0,0,0,0|1,0,0]=3 9161 B12R0.233 CC(C)CCNC(=O)NCCCO 512a_100000210545_100000182051 [0,2,0,0,0,0|1,0,0]=3 9162 B12R0.233 CC(C)CCNC(=O)NNCCO 273464a_100000210545_100000210001 [0,2,0,0,0,0|2,0,0]=4 9163 B12R0.233 CC(C)CCNC(=O)NNCCO 512a_100000210545_100000210001 [0,2,0,0,0,0|2,0,0]=4 9164 B12R0.233 CC(C)CNNC(=O)CCCC#N 22a_100000696102_100000075515 [0,2,0,0,0,0|2,0,0]=4 9165 B12R0.233 CC(C)CNNC(=O)NCCCF 273464a_100015189416_100000696102 [0,2,0,0,0,0|2,0,0]=4 9166 B12R0.233 CC(C)CNNC(=O)NCCCF 512a_100000696102_100015189416 [0,2,0,0,0,0|2,0,0]=4 9167 B12R0.233 CC(C)CNNC(=O)NCCCF 512a_100015189416_100000696102 [0,2,0,0,0,0|2,0,0]=4 9168 B12R0.233 CC(C)CNNC(=O)NCCCO 273464a_100000182051_100000696102 [0,2,0,0,0,0|2,0,0]=4 9169 B12R0.233 CC(C)CNNC(=O)NCCCO 512a_100000696102_100000182051 [0,2,0,0,0,0|2,0,0]=4 9170 B12R0.233 CC(C)COCC(=O)CCCC#N 1458a_100011223364_100000211468 [0,2,0,0,0,0|2,0,0]=4 9171 B12R0.233 CC(C)COCC(=O)CCCCF 1458a_100011223364_100000729493 [0,2,0,0,0,0|2,0,0]=4 9172 B12R0.233 CC(C)COCC(=O)CCCCO 1458a_100011223364_100000210776 [0,2,0,0,0,0|2,0,0]=4 9173 B12R0.233 CC(C)COCC(=O)NCCCF 11a_100015189416_100011223364 [0,2,0,0,0,0|2,0,0]=4 9174 B12R0.233 CC(C)COCC(=O)NCCCF 1626a_100015189416_100011223364 [0,2,0,0,0,0|2,0,0]=4 9175 B12R0.233 CC(C)COCC(=O)NCCCF 240690a_100015189416_100011223364 [0,2,0,0,0,0|2,0,0]=4 9176 B12R0.233 CC(C)COCC(=O)NCCCF 527a_100015189416_100011223364 [0,2,0,0,0,0|2,0,0]=4 9177 B12R0.233 CC(C)COCC(=O)NCCCO 240690a_100000182051_100011223364 [0,2,0,0,0,0|2,0,0]=4 9178 B12R0.233 CC(C)COCC(=O)NCCCO 527a_100000182051_100011223364 [0,2,0,0,0,0|2,0,0]=4 9179 B12R0.233 CC(C)OCCC(=O)CCCC#N 1458a_100000075515_100000211751 [0,2,0,0,0,0|2,0,0]=4 9180 B12R0.233 CC(C)OCCC(=O)CCCCO 1458a_100000695505_100000211751 [0,2,0,0,0,0|2,0,0]=4 9181 B12R0.233 CC(C)OCCC(=O)COCCO 1458a_100000708028_100000211751 [0,2,0,0,0,0|2,0,0]=4 9182 B12R0.233 CC(C)SCCC(=O)CCCC#N 1458a_100000075515_100000730970 [0,2,0,0,0,0|2,0,0]=4 9183 B12R0.233 CC(C)SCCC(=O)CCCCO 1458a_100000695505_100000730970 [0,2,0,0,0,0|2,0,0]=4 9184 B12R0.233 CC(C)SCCC(=O)COCCO 1458a_100000708028_100000730970 [0,2,0,0,0,0|2,0,0]=4 9185 B12R0.233 CC(O)CCCC(=O)CCCC#N 1458a_100000075515_200000718107 [0,2,0,0,0,0|2,0,0]=4 9186 B12R0.233 CC(O)CCCC(=O)CCCCO 1458a_100000695505_200000718107 [0,2,0,0,0,0|2,0,0]=4 9187 B12R0.233 CC(O)CCCC(=O)COCCO 1458a_100000708028_200000718107 [0,2,0,0,0,0|2,0,0]=4 9188 B12R0.233 CC(O)CCCC(=O)NCCCF 1626a_100015189416_100000761597 [0,2,0,0,0,0|2,0,0]=4 9189 B12R0.233 CC(O)CCCC(=O)NCCCF 527a_100015189416_100000761597 [0,2,0,0,0,0|2,0,0]=4 9190 B12R0.233 CC(O)CCCC(=O)NCCCO 527a_100000182051_100000761597 [0,2,0,0,0,0|2,0,0]=4 9191 B12R0.233 CC(O)CCNC(=O)CCCC#N 240690a_200000755665_100000075515 [0,2,0,0,0,0|2,0,0]=4 9192 B12R0.233 CC(O)CCNC(=O)CCCC#N 527a_200000755665_100000075515 [0,2,0,0,0,0|2,0,0]=4 9193 B12R0.233 CC(O)CCNC(=O)COCCO 240690a_200000755665_100000708028 [0,2,0,0,0,0|2,0,0]=4 9194 B12R0.233 CC(O)CCNC(=O)NCCCF 2708a_100015189416_200000755665 [0,2,0,0,0,0|2,0,0]=4 9195 B12R0.233 CC(O)CCNC(=O)NCCCF 273464a_200000755665_100015189416 [0,2,0,0,0,0|2,0,0]=4 9196 B12R0.233 CC(O)CCNC(=O)NCCCF 512a_100015189416_200000755665 [0,2,0,0,0,0|2,0,0]=4 9197 B12R0.233 CC(O)CCNC(=O)NCCCF 512a_200000755665_100015189416 [0,2,0,0,0,0|2,0,0]=4 9198 B12R0.233 CC(O)CCNC(=O)NCCCO 273464a_200000755665_100000182051 [0,2,0,0,0,0|2,0,0]=4 9199 B12R0.233 CC(O)CCNC(=O)NCCCO 512a_200000755665_100000182051 [0,2,0,0,0,0|2,0,0]=4 9200 B12R0.233 CC/C=C/CC(=O)CCCC(C)C 1458a_100016274230_100011214892 [0,2,0,0,0,0|1,0,0]=3 9201 B12R0.233 CC/C=C/CC(=O)CCCC(C)O 1458a_100016274230_200000718107 [0,2,0,0,0,0|2,0,0]=4 9202 B12R0.233 CC/C=C/CC(=O)CCCN(C)C 1458a_100016274230_100000695564 [0,2,0,0,0,0|2,0,0]=4 9203 B12R0.233 CC/C=C/CC(=O)CCOC(C)C 1458a_100016274230_100000211751 [0,2,0,0,0,0|2,0,0]=4 9204 B12R0.233 CC/C=C/CC(=O)CCSC(C)C 1458a_100016274230_100000730970 [0,2,0,0,0,0|2,0,0]=4 9205 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 11a_100000210545_100016274230 [0,2,0,0,0,0|1,0,0]=3 9206 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 1626a_100000210545_100016274230 [0,2,0,0,0,0|1,0,0]=3 9207 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 240690a_100000210545_100016274230 [0,2,0,0,0,0|1,0,0]=3 9208 B12R0.233 CC/C=C/CC(=O)NCCC(C)C 527a_100000210545_100016274230 [0,2,0,0,0,0|1,0,0]=3 9209 B12R0.233 CC/C=C/CC(=O)NCCC(C)O 240690a_200000755665_100016274230 [0,2,0,0,0,0|2,0,0]=4 9210 B12R0.233 CC/C=C/CC(=O)NCCC(C)O 527a_200000755665_100016274230 [0,2,0,0,0,0|2,0,0]=4 9211 B12R0.233 CC/C=C/CC(=O)NCCN(C)C 240690a_100000210585_100016274230 [0,2,0,0,0,0|2,0,0]=4 9212 B12R0.233 CC/C=C/CC(=O)NCCN(C)C 527a_100000210585_100016274230 [0,2,0,0,0,0|2,0,0]=4 9213 B12R0.233 CC/C=C/CC(=O)NNCC(C)C 22a_100000696102_100016274230 [0,2,0,0,0,0|2,0,0]=4 9214 B12R0.233 CC/C=C\CC(=O)CCCC(C)C 1458a_100011216857_100103147603 [0,2,0,0,0,0|1,0,0]=3 9215 B12R0.233 CC/C=C\CC(=O)COCC(C)C 1458a_100011223364_100103147603 [0,2,0,0,0,0|2,0,0]=4 9216 B12R0.233 CCC#CCC(=O)CCCC(C)C 1458a_100011216857_100009813939 [0,2,0,0,0,0|1,0,0]=3 9217 B12R0.233 CCC#CCC(=O)COCC(C)C 1458a_100011223364_100009813939 [0,2,0,0,0,0|2,0,0]=4 9218 B12R0.233 CCC#CCC(C)OCCC(C)C 34a_200000035118_100000210312 [0,2,0,0,0,0|1,0,1]=4 9219 B12R0.233 CCC#CCC(C)OCCC(C)C 7a_200000035118_100000210626 [0,2,0,0,0,0|1,0,1]=4 9220 B12R0.233 CCCC#CC(=O)CCCC(C)C 1458a_200011218047_100011214892 [0,2,0,0,0,0|1,0,0]=3 9221 B12R0.233 CCCC#CC(=O)CCCC(C)O 1458a_200011218047_200000718107 [0,2,0,0,0,0|2,0,0]=4 9222 B12R0.233 CCCC#CC(=O)CCCN(C)C 1458a_200011218047_100000695564 [0,2,0,0,0,0|2,0,0]=4 9223 B12R0.233 CCCC#CC(=O)CCOC(C)C 1458a_200011218047_100000211751 [0,2,0,0,0,0|2,0,0]=4 9224 B12R0.233 CCCC#CC(=O)CCSC(C)C 1458a_200011218047_100000730970 [0,2,0,0,0,0|2,0,0]=4 9225 B12R0.233 CCCC#CC(=O)NCCC(C)C 240690a_100000210545_200011218047 [0,2,0,0,0,0|1,0,0]=3 9226 B12R0.233 CCCC#CC(=O)NCCC(C)O 240690a_200000755665_200011218047 [0,2,0,0,0,0|2,0,0]=4 9227 B12R0.233 CCCC#CC(=O)NCCN(C)C 240690a_100000210585_200011218047 [0,2,0,0,0,0|2,0,0]=4 9228 B12R0.233 CCCC#CC(=O)NNCC(C)C 22a_100000696102_200011218047 [0,2,0,0,0,0|2,0,0]=4 9229 B12R0.233 CCCC=CC(=O)CCCC(C)C 1458a_100000212230_100011214892 [0,2,0,0,0,0|1,0,0]=3 9230 B12R0.233 CCCC=CC(=O)CCCC(C)O 1458a_100000212230_200000718107 [0,2,0,0,0,0|2,0,0]=4 9231 B12R0.233 CCCC=CC(=O)CCCN(C)C 1458a_100000212230_100000695564 [0,2,0,0,0,0|2,0,0]=4 9232 B12R0.233 CCCC=CC(=O)CCOC(C)C 1458a_100000212230_100000211751 [0,2,0,0,0,0|2,0,0]=4 9233 B12R0.233 CCCC=CC(=O)CCSC(C)C 1458a_100000212230_100000730970 [0,2,0,0,0,0|2,0,0]=4 9234 B12R0.233 CCCC=CC(=O)NCCC(C)C 11a_100000210545_100000212230 [0,2,0,0,0,0|1,0,0]=3 9235 B12R0.233 CCCC=CC(=O)NCCC(C)C 1626a_100000210545_100000212230 [0,2,0,0,0,0|1,0,0]=3 9236 B12R0.233 CCCC=CC(=O)NCCC(C)C 240690a_100000210545_100000212230 [0,2,0,0,0,0|1,0,0]=3 9237 B12R0.233 CCCC=CC(=O)NCCC(C)O 240690a_200000755665_100000212230 [0,2,0,0,0,0|2,0,0]=4 9238 B12R0.233 CCCC=CC(=O)NCCN(C)C 240690a_100000210585_100000212230 [0,2,0,0,0,0|2,0,0]=4 9239 B12R0.233 CCCC=CC(=O)NNCC(C)C 22a_100000696102_100000212230 [0,2,0,0,0,0|2,0,0]=4 9240 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100000212188_100011214892 [0,2,0,0,0,0|1,0,0]=3 9241 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210326 [0,2,0,0,0,0|1,0,0]=3 9242 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,2,0,0,0,0|2,0,0]=4 9243 B12R0.233 CCCCCC(=O)CCCN(C)C 1458a_100000212188_100000695564 [0,2,0,0,0,0|2,0,0]=4 9244 B12R0.233 CCCCCC(=O)CCOC(C)C 1458a_100000212188_100000211751 [0,2,0,0,0,0|2,0,0]=4 9245 B12R0.233 CCCCCC(=O)CCSC(C)C 1458a_100000212188_100000730970 [0,2,0,0,0,0|2,0,0]=4 9246 B12R0.233 CCCCCC(=O)CNCC(C)C 2230a_100000210953_200012276598 [0,2,0,0,0,0|2,0,0]=4 9247 B12R0.233 CCCCCC(=O)CNCC(C)C 34a_100000210953_200012276598 [0,2,0,0,0,0|2,0,0]=4 9248 B12R0.233 CCCCCC(=O)COCC(C)C 1458a_100011223364_100000210326 [0,2,0,0,0,0|2,0,0]=4 9249 B12R0.233 CCCCCC(=O)COCC(C)C 34a_100000210257_200012276598 [0,2,0,0,0,0|2,0,0]=4 9250 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_100000210624_200012276598 [0,2,0,0,0,0|2,0,0]=4 9251 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_200012276598_100000210760 [0,2,0,0,0,0|2,0,0]=4 9252 B12R0.233 CCCCCC(=O)NCCC(C)C 11a_100000210545_100000212188 [0,2,0,0,0,0|1,0,0]=3 9253 B12R0.233 CCCCCC(=O)NCCC(C)C 1626a_100000210545_100000212188 [0,2,0,0,0,0|1,0,0]=3 9254 B12R0.233 CCCCCC(=O)NCCC(C)C 240690a_100000210545_100000212188 [0,2,0,0,0,0|1,0,0]=3 9255 B12R0.233 CCCCCC(=O)NCCC(C)C 527a_100000210545_100000212188 [0,2,0,0,0,0|1,0,0]=3 9256 B12R0.233 CCCCCC(=O)NCCC(C)O 240690a_200000755665_100000212188 [0,2,0,0,0,0|2,0,0]=4 9257 B12R0.233 CCCCCC(=O)NCCC(C)O 527a_200000755665_100000212188 [0,2,0,0,0,0|2,0,0]=4 9258 B12R0.233 CCCCCC(=O)NCCN(C)C 240690a_100000210585_100000212188 [0,2,0,0,0,0|2,0,0]=4 9259 B12R0.233 CCCCCC(=O)NCCN(C)C 527a_100000210585_100000212188 [0,2,0,0,0,0|2,0,0]=4 9260 B12R0.233 CCCCCC(=O)NNCC(C)C 22a_100000696102_100000212188 [0,2,0,0,0,0|2,0,0]=4 9261 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100000210254_200011218191 [0,2,0,0,0,0|1,0,1]=4 9262 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100011215632_100000210312 [0,2,0,0,0,0|1,0,1]=4 9263 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100000210254_200011218191 [0,2,0,0,0,0|1,0,1]=4 9264 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100011215632_100000210626 [0,2,0,0,0,0|1,0,1]=4 9265 B12R0.233 CCCCNC(=O)CCCC(C)C 11a_100000102301_100011216857 [0,2,0,0,0,0|1,0,0]=3 9266 B12R0.233 CCCCNC(=O)CCCC(C)C 1626a_100000102301_100011216857 [0,2,0,0,0,0|1,0,0]=3 9267 B12R0.233 CCCCNC(=O)CCCC(C)C 240690a_100000102301_100011216857 [0,2,0,0,0,0|1,0,0]=3 9268 B12R0.233 CCCCNC(=O)CCCC(C)C 527a_100000102301_100011216857 [0,2,0,0,0,0|1,0,0]=3 9269 B12R0.233 CCCCNC(=O)CCCC(C)O 1626a_100000102301_100000761597 [0,2,0,0,0,0|2,0,0]=4 9270 B12R0.233 CCCCNC(=O)CCCC(C)O 527a_100000102301_100000761597 [0,2,0,0,0,0|2,0,0]=4 9271 B12R0.233 CCCCNC(=O)CCCN(C)C 11a_100000102301_100000740757 [0,2,0,0,0,0|2,0,0]=4 9272 B12R0.233 CCCCNC(=O)CCCN(C)C 240690a_100000102301_100000740757 [0,2,0,0,0,0|2,0,0]=4 9273 B12R0.233 CCCCNC(=O)CNCC(C)C 2230a_100000210953_100000182744 [0,2,0,0,0,0|2,0,0]=4 9274 B12R0.233 CCCCNC(=O)CNCC(C)C 34a_100000210953_100000182744 [0,2,0,0,0,0|2,0,0]=4 9275 B12R0.233 CCCCNC(=O)COCC(C)C 11a_100000102301_100011223364 [0,2,0,0,0,0|2,0,0]=4 9276 B12R0.233 CCCCNC(=O)COCC(C)C 1626a_100000102301_100011223364 [0,2,0,0,0,0|2,0,0]=4 9277 B12R0.233 CCCCNC(=O)COCC(C)C 240690a_100000102301_100011223364 [0,2,0,0,0,0|2,0,0]=4 9278 B12R0.233 CCCCNC(=O)COCC(C)C 34a_100000210257_100000182744 [0,2,0,0,0,0|2,0,0]=4 9279 B12R0.233 CCCCNC(=O)COCC(C)C 527a_100000102301_100011223364 [0,2,0,0,0,0|2,0,0]=4 9280 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000182744_100000210760 [0,2,0,0,0,0|2,0,0]=4 9281 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000210624_100000182744 [0,2,0,0,0,0|2,0,0]=4 9282 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000102301_100000210545 [0,2,0,0,0,0|1,0,0]=3 9283 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000210545_100000102301 [0,2,0,0,0,0|1,0,0]=3 9284 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000102301_100000210545 [0,2,0,0,0,0|1,0,0]=3 9285 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000210545_100000102301 [0,2,0,0,0,0|1,0,0]=3 9286 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000102301_100000210545 [0,2,0,0,0,0|1,0,0]=3 9287 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000210545_100000102301 [0,2,0,0,0,0|1,0,0]=3 9288 B12R0.233 CCCCNC(=O)NCCC(C)O 2708a_100000102301_200000755665 [0,2,0,0,0,0|2,0,0]=4 9289 B12R0.233 CCCCNC(=O)NCCC(C)O 273464a_200000755665_100000102301 [0,2,0,0,0,0|2,0,0]=4 9290 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_100000102301_200000755665 [0,2,0,0,0,0|2,0,0]=4 9291 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_200000755665_100000102301 [0,2,0,0,0,0|2,0,0]=4 9292 B12R0.233 CCCCNC(=O)NCCN(C)C 2708a_100000102301_100000210585 [0,2,0,0,0,0|2,0,0]=4 9293 B12R0.233 CCCCNC(=O)NCCN(C)C 273464a_100000102301_100000210585 [0,2,0,0,0,0|2,0,0]=4 9294 B12R0.233 CCCCNC(=O)NCCN(C)C 273464a_100000210585_100000102301 [0,2,0,0,0,0|2,0,0]=4 9295 B12R0.233 CCCCNC(=O)NCCN(C)C 512a_100000102301_100000210585 [0,2,0,0,0,0|2,0,0]=4 9296 B12R0.233 CCCCNC(=O)NNCC(C)C 273464a_100000102301_100000696102 [0,2,0,0,0,0|2,0,0]=4 9297 B12R0.233 CCCCNC(=O)NNCC(C)C 512a_100000102301_100000696102 [0,2,0,0,0,0|2,0,0]=4 9298 B12R0.233 CCCCNC(=O)NNCC(C)C 512a_100000696102_100000102301 [0,2,0,0,0,0|2,0,0]=4 9299 B12R0.233 CCCCOC(=O)CNCC(C)C 2230a_100000210953_100000211628 [0,2,0,0,0,0|2,0,0]=4 9300 B12R0.233 CCCCOC(=O)CNCC(C)C 34a_100000210953_100000211628 [0,2,0,0,0,0|2,0,0]=4 9301 B12R0.233 CCCCOC(=O)COCC(C)C 34a_100000210257_100000211628 [0,2,0,0,0,0|2,0,0]=4 9302 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000210624_100000211628 [0,2,0,0,0,0|2,0,0]=4 9303 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000211628_100000210760 [0,2,0,0,0,0|2,0,0]=4 9304 B12R0.233 CCCNN=C(C)CCCC(C)C 4a_100000740057_100000753411 [0,2,0,0,0,0|2,0,0]=4 9305 B12R0.233 CCCNNC(=O)CCCC(C)C 22a_100000740057_100011216857 [0,2,0,0,0,0|1,0,0]=3 9306 B12R0.233 CCCNNC(=O)CCCC(C)O 22a_100000740057_100000761597 [0,2,0,0,0,0|2,0,0]=4 9307 B12R0.233 CCCNNC(=O)CCCN(C)C 22a_100000740057_100000740757 [0,2,0,0,0,0|2,0,0]=4 9308 B12R0.233 CCCNNC(=O)COCC(C)C 22a_100000740057_100011223364 [0,2,0,0,0,0|2,0,0]=4 9309 B12R0.233 CCCNNC(=O)NCCC(C)C 273464a_100000210545_100000740057 [0,2,0,0,0,0|1,0,0]=3 9310 B12R0.233 CCCNNC(=O)NCCC(C)C 512a_100000210545_100000740057 [0,2,0,0,0,0|1,0,0]=3 9311 B12R0.233 CCCNNC(=O)NCCC(C)C 512a_100000740057_100000210545 [0,2,0,0,0,0|1,0,0]=3 9312 B12R0.233 CCCNNC(=O)NCCC(C)O 273464a_200000755665_100000740057 [0,2,0,0,0,0|2,0,0]=4 9313 B12R0.233 CCCNNC(=O)NCCC(C)O 512a_100000740057_200000755665 [0,2,0,0,0,0|2,0,0]=4 9314 B12R0.233 CCCNNC(=O)NCCC(C)O 512a_200000755665_100000740057 [0,2,0,0,0,0|2,0,0]=4 9315 B12R0.233 CCCNNC(=O)NCCN(C)C 273464a_100000210585_100000740057 [0,2,0,0,0,0|2,0,0]=4 9316 B12R0.233 CCCNNC(=O)NCCN(C)C 512a_100000740057_100000210585 [0,2,0,0,0,0|2,0,0]=4 9317 B12R0.233 CCCNNC(=O)NNCC(C)C 512a_100000696102_100000740057 [0,2,0,0,0,0|2,0,0]=4 9318 B12R0.233 CCCNNC(=O)NNCC(C)C 512a_100000740057_100000696102 [0,2,0,0,0,0|2,0,0]=4 9319 B12R0.233 CCCOCC(=O)CCCC(C)C 1458a_100000745993_100011214892 [0,2,0,0,0,0|1,0,0]=3 9320 B12R0.233 CCCOCC(=O)CCCC(C)O 1458a_100000745993_200000718107 [0,2,0,0,0,0|2,0,0]=4 9321 B12R0.233 CCCOCC(=O)CCCN(C)C 1458a_100000745993_100000695564 [0,2,0,0,0,0|2,0,0]=4 9322 B12R0.233 CCCOCC(=O)CCOC(C)C 1458a_100000745993_100000211751 [0,2,0,0,0,0|2,0,0]=4 9323 B12R0.233 CCCOCC(=O)CCSC(C)C 1458a_100000745993_100000730970 [0,2,0,0,0,0|2,0,0]=4 9324 B12R0.233 CCCOCC(=O)NCCC(C)C 11a_100000210545_100000745993 [0,2,0,0,0,0|1,0,0]=3 9325 B12R0.233 CCCOCC(=O)NCCC(C)C 1626a_100000210545_100000745993 [0,2,0,0,0,0|1,0,0]=3 9326 B12R0.233 CCCOCC(=O)NCCC(C)C 240690a_100000210545_100000745993 [0,2,0,0,0,0|1,0,0]=3 9327 B12R0.233 CCCOCC(=O)NCCC(C)C 527a_100000210545_100000745993 [0,2,0,0,0,0|1,0,0]=3 9328 B12R0.233 CCCOCC(=O)NCCC(C)O 240690a_200000755665_100000745993 [0,2,0,0,0,0|2,0,0]=4 9329 B12R0.233 CCCOCC(=O)NCCC(C)O 527a_200000755665_100000745993 [0,2,0,0,0,0|2,0,0]=4 9330 B12R0.233 CCCOCC(=O)NCCN(C)C 240690a_100000210585_100000745993 [0,2,0,0,0,0|2,0,0]=4 9331 B12R0.233 CCCOCC(=O)NCCN(C)C 527a_100000210585_100000745993 [0,2,0,0,0,0|2,0,0]=4 9332 B12R0.233 CCCOCC(=O)NNCC(C)C 22a_100000696102_100000745993 [0,2,0,0,0,0|2,0,0]=4 9333 B12R0.233 CCCSCC(=O)CCCC(C)C 1458a_100000217233_100011214892 [0,2,0,0,0,0|1,0,0]=3 9334 B12R0.233 CCCSCC(=O)CCCC(C)O 1458a_100000217233_200000718107 [0,2,0,0,0,0|2,0,0]=4 9335 B12R0.233 CCCSCC(=O)CCCN(C)C 1458a_100000217233_100000695564 [0,2,0,0,0,0|2,0,0]=4 9336 B12R0.233 CCCSCC(=O)CCOC(C)C 1458a_100000217233_100000211751 [0,2,0,0,0,0|2,0,0]=4 9337 B12R0.233 CCCSCC(=O)CCSC(C)C 1458a_100000217233_100000730970 [0,2,0,0,0,0|2,0,0]=4 9338 B12R0.233 CCCSCC(=O)NCCC(C)C 11a_100000210545_100000217233 [0,2,0,0,0,0|1,0,0]=3 9339 B12R0.233 CCCSCC(=O)NCCC(C)C 1626a_100000210545_100000217233 [0,2,0,0,0,0|1,0,0]=3 9340 B12R0.233 CCCSCC(=O)NCCC(C)C 240690a_100000210545_100000217233 [0,2,0,0,0,0|1,0,0]=3 9341 B12R0.233 CCCSCC(=O)NCCC(C)C 527a_100000210545_100000217233 [0,2,0,0,0,0|1,0,0]=3 9342 B12R0.233 CCCSCC(=O)NCCC(C)O 240690a_200000755665_100000217233 [0,2,0,0,0,0|2,0,0]=4 9343 B12R0.233 CCCSCC(=O)NCCC(C)O 527a_200000755665_100000217233 [0,2,0,0,0,0|2,0,0]=4 9344 B12R0.233 CCCSCC(=O)NCCN(C)C 240690a_100000210585_100000217233 [0,2,0,0,0,0|2,0,0]=4 9345 B12R0.233 CCCSCC(=O)NCCN(C)C 527a_100000210585_100000217233 [0,2,0,0,0,0|2,0,0]=4 9346 B12R0.233 CCCSCC(=O)NNCC(C)C 22a_100000696102_100000217233 [0,2,0,0,0,0|2,0,0]=4 9347 B12R0.233 CCOC=CC(=O)CCCC(C)C 1458a_100016266692_100011214892 [0,2,0,0,0,0|1,0,1]=4 9348 B12R0.233 CCOC=CC(=O)NCCC(C)C 11a_100000210545_100016266692 [0,2,0,0,0,0|1,0,1]=4 9349 B12R0.233 CCOC=CC(=O)NCCC(C)C 1626a_100000210545_100016266692 [0,2,0,0,0,0|1,0,1]=4 9350 B12R0.233 CCOC=CC(=O)NCCC(C)C 240690a_100000210545_100016266692 [0,2,0,0,0,0|1,0,1]=4 9351 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100000749530_100011214892 [0,2,0,0,0,0|1,0,0]=3 9352 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215890 [0,2,0,0,0,0|1,0,0]=3 9353 B12R0.233 CCOCCC(=O)CCCC(C)O 1458a_100000749530_200000718107 [0,2,0,0,0,0|2,0,0]=4 9354 B12R0.233 CCOCCC(=O)CCCN(C)C 1458a_100000749530_100000695564 [0,2,0,0,0,0|2,0,0]=4 9355 B12R0.233 CCOCCC(=O)CCOC(C)C 1458a_100000749530_100000211751 [0,2,0,0,0,0|2,0,0]=4 9356 B12R0.233 CCOCCC(=O)CCSC(C)C 1458a_100000749530_100000730970 [0,2,0,0,0,0|2,0,0]=4 9357 B12R0.233 CCOCCC(=O)COCC(C)C 1458a_100011223364_100011215890 [0,2,0,0,0,0|2,0,0]=4 9358 B12R0.233 CCOCCC(=O)NCCC(C)C 11a_100000210545_100000749530 [0,2,0,0,0,0|1,0,0]=3 9359 B12R0.233 CCOCCC(=O)NCCC(C)C 1626a_100000210545_100000749530 [0,2,0,0,0,0|1,0,0]=3 9360 B12R0.233 CCOCCC(=O)NCCC(C)C 240690a_100000210545_100000749530 [0,2,0,0,0,0|1,0,0]=3 9361 B12R0.233 CCOCCC(=O)NCCC(C)C 527a_100000210545_100000749530 [0,2,0,0,0,0|1,0,0]=3 9362 B12R0.233 CCOCCC(=O)NCCC(C)O 240690a_200000755665_100000749530 [0,2,0,0,0,0|2,0,0]=4 9363 B12R0.233 CCOCCC(=O)NCCC(C)O 527a_200000755665_100000749530 [0,2,0,0,0,0|2,0,0]=4 9364 B12R0.233 CCOCCC(=O)NCCN(C)C 240690a_100000210585_100000749530 [0,2,0,0,0,0|2,0,0]=4 9365 B12R0.233 CCOCCC(=O)NCCN(C)C 527a_100000210585_100000749530 [0,2,0,0,0,0|2,0,0]=4 9366 B12R0.233 CCOCCC(=O)NNCC(C)C 22a_100000696102_100000749530 [0,2,0,0,0,0|2,0,0]=4 9367 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100000230768_100011214892 [0,2,0,0,0,0|1,0,0]=3 9368 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100011216857_100000757381 [0,2,0,0,0,0|1,0,0]=3 9369 B12R0.233 CCSCCC(=O)CCCC(C)O 1458a_100000230768_200000718107 [0,2,0,0,0,0|2,0,0]=4 9370 B12R0.233 CCSCCC(=O)CCCN(C)C 1458a_100000230768_100000695564 [0,2,0,0,0,0|2,0,0]=4 9371 B12R0.233 CCSCCC(=O)CCOC(C)C 1458a_100000230768_100000211751 [0,2,0,0,0,0|2,0,0]=4 9372 B12R0.233 CCSCCC(=O)CCSC(C)C 1458a_100000230768_100000730970 [0,2,0,0,0,0|2,0,0]=4 9373 B12R0.233 CCSCCC(=O)COCC(C)C 1458a_100011223364_100000757381 [0,2,0,0,0,0|2,0,0]=4 9374 B12R0.233 CCSCCC(=O)NCCC(C)C 11a_100000210545_100000230768 [0,2,0,0,0,0|1,0,0]=3 9375 B12R0.233 CCSCCC(=O)NCCC(C)C 1626a_100000210545_100000230768 [0,2,0,0,0,0|1,0,0]=3 9376 B12R0.233 CCSCCC(=O)NCCC(C)C 240690a_100000210545_100000230768 [0,2,0,0,0,0|1,0,0]=3 9377 B12R0.233 CCSCCC(=O)NCCC(C)C 527a_100000210545_100000230768 [0,2,0,0,0,0|1,0,0]=3 9378 B12R0.233 CCSCCC(=O)NCCC(C)O 240690a_200000755665_100000230768 [0,2,0,0,0,0|2,0,0]=4 9379 B12R0.233 CCSCCC(=O)NCCC(C)O 527a_200000755665_100000230768 [0,2,0,0,0,0|2,0,0]=4 9380 B12R0.233 CCSCCC(=O)NCCN(C)C 240690a_100000210585_100000230768 [0,2,0,0,0,0|2,0,0]=4 9381 B12R0.233 CCSCCC(=O)NCCN(C)C 527a_100000210585_100000230768 [0,2,0,0,0,0|2,0,0]=4 9382 B12R0.233 CCSCCC(=O)NNCC(C)C 22a_100000696102_100000230768 [0,2,0,0,0,0|2,0,0]=4 9383 B12R0.233 CN(C)CCCC(=O)CCCC#N 1458a_100000075515_100000695564 [0,2,0,0,0,0|2,0,0]=4 9384 B12R0.233 CN(C)CCCC(=O)CCCCO 1458a_100000695505_100000695564 [0,2,0,0,0,0|2,0,0]=4 9385 B12R0.233 CN(C)CCCC(=O)COCCO 1458a_100000708028_100000695564 [0,2,0,0,0,0|2,0,0]=4 9386 B12R0.233 CN(C)CCCC(=O)NCCCF 11a_100015189416_100000740757 [0,2,0,0,0,0|2,0,0]=4 9387 B12R0.233 CN(C)CCCC(=O)NCCCF 240690a_100015189416_100000740757 [0,2,0,0,0,0|2,0,0]=4 9388 B12R0.233 CN(C)CCCC(=O)NCCCO 240690a_100000182051_100000740757 [0,2,0,0,0,0|2,0,0]=4 9389 B12R0.233 CN(C)CCNC(=O)CCCC#N 240690a_100000210585_100000075515 [0,2,0,0,0,0|2,0,0]=4 9390 B12R0.233 CN(C)CCNC(=O)CCCC#N 527a_100000210585_100000075515 [0,2,0,0,0,0|2,0,0]=4 9391 B12R0.233 CN(C)CCNC(=O)COCCO 240690a_100000210585_100000708028 [0,2,0,0,0,0|2,0,0]=4 9392 B12R0.233 CN(C)CCNC(=O)NCCCF 2708a_100015189416_100000210585 [0,2,0,0,0,0|2,0,0]=4 9393 B12R0.233 CN(C)CCNC(=O)NCCCF 273464a_100000210585_100015189416 [0,2,0,0,0,0|2,0,0]=4 9394 B12R0.233 CN(C)CCNC(=O)NCCCF 273464a_100015189416_100000210585 [0,2,0,0,0,0|2,0,0]=4 9395 B12R0.233 CN(C)CCNC(=O)NCCCF 512a_100015189416_100000210585 [0,2,0,0,0,0|2,0,0]=4 9396 B12R0.233 CN(C)CCNC(=O)NCCCO 273464a_100000182051_100000210585 [0,2,0,0,0,0|2,0,0]=4 9397 B12R0.233 CN(C)CCNC(=O)NCCCO 273464a_100000210585_100000182051 [0,2,0,0,0,0|2,0,0]=4 9398 B12R0.233 COCC=CC(=O)CCCC(C)C 1458a_100016285016_100011214892 [0,2,0,0,0,0|1,0,1]=4 9399 B12R0.233 COCC=CC(=O)NCCC(C)C 11a_100000210545_100016285016 [0,2,0,0,0,0|1,0,1]=4 9400 B12R0.233 COCC=CC(=O)NCCC(C)C 1626a_100000210545_100016285016 [0,2,0,0,0,0|1,0,1]=4 9401 B12R0.233 COCC=CC(=O)NCCC(C)C 240690a_100000210545_100016285016 [0,2,0,0,0,0|1,0,1]=4 9402 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100000741012_100011214892 [0,2,0,0,0,0|1,0,0]=3 9403 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100011216857_100000740836 [0,2,0,0,0,0|1,0,0]=3 9404 B12R0.233 COCCCC(=O)CCCC(C)O 1458a_100000741012_200000718107 [0,2,0,0,0,0|2,0,0]=4 9405 B12R0.233 COCCCC(=O)CCCN(C)C 1458a_100000741012_100000695564 [0,2,0,0,0,0|2,0,0]=4 9406 B12R0.233 COCCCC(=O)CCOC(C)C 1458a_100000741012_100000211751 [0,2,0,0,0,0|2,0,0]=4 9407 B12R0.233 COCCCC(=O)CCSC(C)C 1458a_100000741012_100000730970 [0,2,0,0,0,0|2,0,0]=4 9408 B12R0.233 COCCCC(=O)COCC(C)C 1458a_100011223364_100000740836 [0,2,0,0,0,0|2,0,0]=4 9409 B12R0.233 COCCCC(=O)NCCC(C)C 11a_100000210545_100000741012 [0,2,0,0,0,0|1,0,0]=3 9410 B12R0.233 COCCCC(=O)NCCC(C)C 1626a_100000210545_100000741012 [0,2,0,0,0,0|1,0,0]=3 9411 B12R0.233 COCCCC(=O)NCCC(C)C 240690a_100000210545_100000741012 [0,2,0,0,0,0|1,0,0]=3 9412 B12R0.233 COCCCC(=O)NCCC(C)C 527a_100000210545_100000741012 [0,2,0,0,0,0|1,0,0]=3 9413 B12R0.233 COCCCC(=O)NCCC(C)O 240690a_200000755665_100000741012 [0,2,0,0,0,0|2,0,0]=4 9414 B12R0.233 COCCCC(=O)NCCC(C)O 527a_200000755665_100000741012 [0,2,0,0,0,0|2,0,0]=4 9415 B12R0.233 COCCCC(=O)NCCN(C)C 240690a_100000210585_100000741012 [0,2,0,0,0,0|2,0,0]=4 9416 B12R0.233 COCCCC(=O)NCCN(C)C 527a_100000210585_100000741012 [0,2,0,0,0,0|2,0,0]=4 9417 B12R0.233 COCCCC(=O)NNCC(C)C 22a_100000696102_100000741012 [0,2,0,0,0,0|2,0,0]=4 9418 B12R0.233 COCCCC(C)OCCC(C)C 34a_200011539412_100000210312 [0,2,0,0,0,0|1,0,1]=4 9419 B12R0.233 COCCCC(C)OCCC(C)C 7a_200011539412_100000210626 [0,2,0,0,0,0|1,0,1]=4 9420 B12R0.233 COCCNC(=O)CCCC(C)C 1626a_100000209980_100011216857 [0,2,0,0,0,0|1,0,0]=3 9421 B12R0.233 COCCNC(=O)CCCC(C)C 240690a_100000209980_100011216857 [0,2,0,0,0,0|1,0,0]=3 9422 B12R0.233 COCCNC(=O)CCCC(C)C 527a_100000209980_100011216857 [0,2,0,0,0,0|1,0,0]=3 9423 B12R0.233 COCCNC(=O)CCCC(C)O 1626a_100000209980_100000761597 [0,2,0,0,0,0|2,0,0]=4 9424 B12R0.233 COCCNC(=O)CCCC(C)O 527a_100000209980_100000761597 [0,2,0,0,0,0|2,0,0]=4 9425 B12R0.233 COCCNC(=O)CCCN(C)C 240690a_100000209980_100000740757 [0,2,0,0,0,0|2,0,0]=4 9426 B12R0.233 COCCNC(=O)CNCC(C)C 2230a_100000210953_100000183275 [0,2,0,0,0,0|2,0,0]=4 9427 B12R0.233 COCCNC(=O)CNCC(C)C 2230a_100000754632_100000210760 [0,2,0,0,0,0|2,0,0]=4 9428 B12R0.233 COCCNC(=O)CNCC(C)C 34a_100000210953_100000183275 [0,2,0,0,0,0|2,0,0]=4 9429 B12R0.233 COCCNC(=O)COCC(C)C 1626a_100000209980_100011223364 [0,2,0,0,0,0|2,0,0]=4 9430 B12R0.233 COCCNC(=O)COCC(C)C 240690a_100000209980_100011223364 [0,2,0,0,0,0|2,0,0]=4 9431 B12R0.233 COCCNC(=O)COCC(C)C 34a_100000210257_100000183275 [0,2,0,0,0,0|2,0,0]=4 9432 B12R0.233 COCCNC(=O)COCC(C)C 527a_100000209980_100011223364 [0,2,0,0,0,0|2,0,0]=4 9433 B12R0.233 COCCNC(=O)CSCC(C)C 62a_100000183275_100000210760 [0,2,0,0,0,0|2,0,0]=4 9434 B12R0.233 COCCNC(=O)CSCC(C)C 62a_100000210624_100000183275 [0,2,0,0,0,0|2,0,0]=4 9435 B12R0.233 COCCNC(=O)NCCC(C)C 2708a_100000210545_100000209980 [0,2,0,0,0,0|1,0,0]=3 9436 B12R0.233 COCCNC(=O)NCCC(C)C 273464a_100000209980_100000210545 [0,2,0,0,0,0|1,0,0]=3 9437 B12R0.233 COCCNC(=O)NCCC(C)C 273464a_100000210545_100000209980 [0,2,0,0,0,0|1,0,0]=3 9438 B12R0.233 COCCNC(=O)NCCC(C)O 273464a_200000755665_100000209980 [0,2,0,0,0,0|2,0,0]=4 9439 B12R0.233 COCCNC(=O)NCCN(C)C 273464a_100000209980_100000210585 [0,2,0,0,0,0|2,0,0]=4 9440 B12R0.233 COCCNC(=O)NCCN(C)C 273464a_100000210585_100000209980 [0,2,0,0,0,0|2,0,0]=4 9441 B12R0.233 COCCNC(=O)NNCC(C)C 273464a_100000209980_100000696102 [0,2,0,0,0,0|2,0,0]=4 9442 B12R0.233 COCCOC(=O)CNCC(C)C 2230a_100000210953_200000040189 [0,2,0,0,0,0|2,0,0]=4 9443 B12R0.233 COCCOC(=O)CNCC(C)C 34a_100000210953_200000040189 [0,2,0,0,0,0|2,0,0]=4 9444 B12R0.233 COCCOC(=O)COCC(C)C 34a_100000210257_200000040189 [0,2,0,0,0,0|2,0,0]=4 9445 B12R0.233 COCCOC(=O)CSCC(C)C 62a_100000210624_200000040189 [0,2,0,0,0,0|2,0,0]=4 9446 B12R0.233 COCCOC(=O)CSCC(C)C 62a_200000040189_100000210760 [0,2,0,0,0,0|2,0,0]=4 9447 B12R0.233 CSCCCC(=O)CCCC(C)C 1458a_100000173376_100011214892 [0,2,0,0,0,0|1,0,0]=3 9448 B12R0.233 CSCCCC(=O)CCCC(C)O 1458a_100000173376_200000718107 [0,2,0,0,0,0|2,0,0]=4 9449 B12R0.233 CSCCCC(=O)CCCN(C)C 1458a_100000173376_100000695564 [0,2,0,0,0,0|2,0,0]=4 9450 B12R0.233 CSCCCC(=O)CCOC(C)C 1458a_100000173376_100000211751 [0,2,0,0,0,0|2,0,0]=4 9451 B12R0.233 CSCCCC(=O)CCSC(C)C 1458a_100000173376_100000730970 [0,2,0,0,0,0|2,0,0]=4 9452 B12R0.233 CSCCCC(=O)NCCC(C)C 11a_100000210545_100000173376 [0,2,0,0,0,0|1,0,0]=3 9453 B12R0.233 CSCCCC(=O)NCCC(C)C 1626a_100000210545_100000173376 [0,2,0,0,0,0|1,0,0]=3 9454 B12R0.233 CSCCCC(=O)NCCC(C)C 240690a_100000210545_100000173376 [0,2,0,0,0,0|1,0,0]=3 9455 B12R0.233 CSCCCC(=O)NCCC(C)C 527a_100000210545_100000173376 [0,2,0,0,0,0|1,0,0]=3 9456 B12R0.233 CSCCCC(=O)NCCC(C)O 240690a_200000755665_100000173376 [0,2,0,0,0,0|2,0,0]=4 9457 B12R0.233 CSCCCC(=O)NCCC(C)O 527a_200000755665_100000173376 [0,2,0,0,0,0|2,0,0]=4 9458 B12R0.233 CSCCCC(=O)NCCN(C)C 240690a_100000210585_100000173376 [0,2,0,0,0,0|2,0,0]=4 9459 B12R0.233 CSCCCC(=O)NCCN(C)C 527a_100000210585_100000173376 [0,2,0,0,0,0|2,0,0]=4 9460 B12R0.233 CSCCCC(=O)NNCC(C)C 22a_100000696102_100000173376 [0,2,0,0,0,0|2,0,0]=4 9461 B12R0.233 CSCCNC(=O)CCCC(C)C 11a_100020590264_100011216857 [0,2,0,0,0,0|1,0,0]=3 9462 B12R0.233 CSCCNC(=O)CCCC(C)C 1626a_100020590264_100011216857 [0,2,0,0,0,0|1,0,0]=3 9463 B12R0.233 CSCCNC(=O)CCCC(C)C 240690a_100020590264_100011216857 [0,2,0,0,0,0|1,0,0]=3 9464 B12R0.233 CSCCNC(=O)CCCC(C)C 527a_100020590264_100011216857 [0,2,0,0,0,0|1,0,0]=3 9465 B12R0.233 CSCCNC(=O)CCCC(C)O 1626a_100020590264_100000761597 [0,2,0,0,0,0|2,0,0]=4 9466 B12R0.233 CSCCNC(=O)CCCC(C)O 527a_100020590264_100000761597 [0,2,0,0,0,0|2,0,0]=4 9467 B12R0.233 CSCCNC(=O)CCCN(C)C 11a_100020590264_100000740757 [0,2,0,0,0,0|2,0,0]=4 9468 B12R0.233 CSCCNC(=O)CCCN(C)C 240690a_100020590264_100000740757 [0,2,0,0,0,0|2,0,0]=4 9469 B12R0.233 CSCCNC(=O)COCC(C)C 11a_100020590264_100011223364 [0,2,0,0,0,0|2,0,0]=4 9470 B12R0.233 CSCCNC(=O)COCC(C)C 1626a_100020590264_100011223364 [0,2,0,0,0,0|2,0,0]=4 9471 B12R0.233 CSCCNC(=O)COCC(C)C 240690a_100020590264_100011223364 [0,2,0,0,0,0|2,0,0]=4 9472 B12R0.233 CSCCNC(=O)COCC(C)C 527a_100020590264_100011223364 [0,2,0,0,0,0|2,0,0]=4 9473 B12R0.233 CSCCNC(=O)NCCC(C)C 2708a_100000210545_100020590264 [0,2,0,0,0,0|1,0,0]=3 9474 B12R0.233 CSCCNC(=O)NCCC(C)C 2708a_100020590264_100000210545 [0,2,0,0,0,0|1,0,0]=3 9475 B12R0.233 CSCCNC(=O)NCCC(C)C 273464a_100000210545_100020590264 [0,2,0,0,0,0|1,0,0]=3 9476 B12R0.233 CSCCNC(=O)NCCC(C)C 273464a_100020590264_100000210545 [0,2,0,0,0,0|1,0,0]=3 9477 B12R0.233 CSCCNC(=O)NCCC(C)C 512a_100000210545_100020590264 [0,2,0,0,0,0|1,0,0]=3 9478 B12R0.233 CSCCNC(=O)NCCC(C)C 512a_100020590264_100000210545 [0,2,0,0,0,0|1,0,0]=3 9479 B12R0.233 CSCCNC(=O)NCCC(C)O 2708a_100020590264_200000755665 [0,2,0,0,0,0|2,0,0]=4 9480 B12R0.233 CSCCNC(=O)NCCC(C)O 273464a_200000755665_100020590264 [0,2,0,0,0,0|2,0,0]=4 9481 B12R0.233 CSCCNC(=O)NCCC(C)O 512a_100020590264_200000755665 [0,2,0,0,0,0|2,0,0]=4 9482 B12R0.233 CSCCNC(=O)NCCC(C)O 512a_200000755665_100020590264 [0,2,0,0,0,0|2,0,0]=4 9483 B12R0.233 CSCCNC(=O)NCCN(C)C 2708a_100020590264_100000210585 [0,2,0,0,0,0|2,0,0]=4 9484 B12R0.233 CSCCNC(=O)NCCN(C)C 273464a_100000210585_100020590264 [0,2,0,0,0,0|2,0,0]=4 9485 B12R0.233 CSCCNC(=O)NCCN(C)C 273464a_100020590264_100000210585 [0,2,0,0,0,0|2,0,0]=4 9486 B12R0.233 CSCCNC(=O)NCCN(C)C 512a_100020590264_100000210585 [0,2,0,0,0,0|2,0,0]=4 9487 B12R0.233 CSCCNC(=O)NNCC(C)C 273464a_100020590264_100000696102 [0,2,0,0,0,0|2,0,0]=4 9488 B12R0.233 CSCCNC(=O)NNCC(C)C 512a_100000696102_100020590264 [0,2,0,0,0,0|2,0,0]=4 9489 B12R0.233 CSCCNC(=O)NNCC(C)C 512a_100020590264_100000696102 [0,2,0,0,0,0|2,0,0]=4 9490 B12R0.265 C#CC(CC)OCOC(=O)CCC 34a_100000758843_100000034017 [0,2,0,0,0,0|1,0,1]=4 9491 B12R0.265 C=CC(CC)OCOC(=O)CCC 34a_100000766422_100000034017 [0,2,0,0,0,0|1,0,1]=4 9492 B12R0.265 C=C[C@@H](CO)NCOC(=O)CCC 2230a_100016989147_100000034017 [0,2,0,0,0,0|1,0,1]=4 9493 B12R0.265 C=C[C@@H](CO)NCOC(=O)CCC 34a_100016989147_100000034017 [0,2,0,0,0,0|1,0,1]=4 9494 B12R0.265 CCCC(=O)CCCC(OC)OC 1458a_100000211992_100000069011 [0,2,0,0,0,0|1,0,0]=3 9495 B12R0.265 CCCC(=O)CCCN(CC)CC 1458a_100000211992_100000709985 [0,2,0,0,0,0|2,0,0]=4 9496 B12R0.265 CCCC(=O)CCCN(CC)CC 1458a_100076194134_100000210303 [0,2,0,0,0,0|2,0,0]=4 9497 B12R0.265 CCCC(=O)CNCC(CC)CC 2230a_100102946423_100000747444 [0,2,0,0,0,0|2,0,0]=4 9498 B12R0.265 CCCC(=O)COCC(CC)CC 7a_100000703878_100000747444 [0,2,0,0,0,0|2,0,0]=4 9499 B12R0.265 CCCC(=O)COCC(CC)OC 7a_100011934954_100000747444 [0,2,0,0,0,0|2,0,0]=4 9500 B12R0.265 CCCC(=O)CSCC(CC)CC 62a_100000747444_100011215472 [0,2,0,0,0,0|2,0,0]=4 9501 B12R0.265 CCCC(=O)CSCC(CC)CC 62a_100011215472_100000747444 [0,2,0,0,0,0|2,0,0]=4 9502 B12R0.265 CCCC(=O)CSCC(OC)OC 62a_100000747444_100000751394 [0,2,0,0,0,0|2,0,0]=4 9503 B12R0.265 CCCC(=O)CSCC(OC)OC 62a_100000751394_100000747444 [0,2,0,0,0,0|2,0,0]=4 9504 B12R0.265 CCCC(=O)NCCN(CC)CC 1626a_100015382049_100000211992 [0,2,0,0,0,0|2,0,0]=4 9505 B12R0.265 CCCC(=O)NCCN(CC)CC 240690a_100015382049_100000211992 [0,2,0,0,0,0|2,0,0]=4 9506 B12R0.265 CCCC(=O)NCCN(CC)CC 527a_100015382049_100000211992 [0,2,0,0,0,0|2,0,0]=4 9507 B12R0.265 CCCC(=O)OCNC(CC)CC 2230a_100000199018_100000034017 [0,2,0,0,0,0|1,0,0]=3 9508 B12R0.265 CCCC(=O)OCNC(CO)CO 2230a_100000759517_100000034017 [0,2,0,0,0,0|1,0,0]=3 9509 B12R0.265 CCCC(=O)OCN[C@@H](CC)CO 2230a_100000709445_100000034017 [0,2,0,0,0,0|1,0,0]=3 9510 B12R0.265 CCCC(=O)OCOC(CF)CF 34a_100000032261_100000034017 [0,2,0,0,0,0|1,0,0]=3 9511 B12R0.265 CCCC(=O)OCOC(CN)CN 34a_100000031598_100000034017 [0,2,0,0,0,0|1,0,0]=3 9512 B12R0.265 CCCC(=O)OCO[C@@H](CF)CCl 34a_100015614560_100000034017 [0,2,0,0,0,0|1,0,0]=3 9513 B12R0.265 CCCC(=O)OCSC(CC)CC 62a_100000210505_100000034017 [0,2,0,0,0,0|1,0,0]=3 9514 B12R0.265 CCCC(C)OCCC(OC)OC 34a_100000764384_100000139399 [0,2,0,0,0,0|1,0,1]=4 9515 B12R0.265 CCCC(C)OCCC(OC)OC 7a_100000764384_100009813347 [0,2,0,0,0,0|1,0,1]=4 9516 B12R0.265 CCOC(=O)OCSC(CC)CC 62a_100000210505_100000075025 [0,2,0,0,0,0|2,0,0]=4 9517 B12R0.265 COC(CCCC(=O)CCO)OC 1458a_100011216618_100000069011 [0,2,0,0,0,0|2,0,0]=4 9518 B12R0.265 COC(CCCC(=O)CSC)OC 1458a_100000184570_100000069011 [0,2,0,0,0,0|2,0,0]=4 9519 B12R0.265 COCC(=O)CCCC(OC)OC 1458a_100000210968_100000069011 [0,2,0,0,0,0|2,0,0]=4 9520 B12R0.285 C#CCC(C)OCOC(=O)CCC 34a_100000685586_100000034017 [0,2,0,0,0,0|1,0,0]=3 9521 B12R0.285 C/C=C/C(C)OCOC(=O)CCC 34a_200102604097_100000034017 [0,2,0,0,0,0|1,0,0]=3 9522 B12R0.285 C=CCC(C)COCC(=O)CCC 7a_100009832082_100000747444 [0,2,0,0,0,0|2,0,0]=4 9523 B12R0.285 C=CC[C@@H](C)OCOC(=O)CCC 34a_100000731007_100000034017 [0,2,0,0,0,0|1,0,0]=3 9524 B12R0.285 CC#CC(C)OCOC(=O)CCC 34a_100011216543_100000034017 [0,2,0,0,0,0|1,0,0]=3 9525 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [0,2,0,0,0,0|2,0,0]=4 9526 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [0,2,0,0,0,0|2,0,0]=4 9527 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [0,2,0,0,0,0|2,0,0]=4 9528 B12R0.285 CCCC(=O)OCNC(C)CCC 2230a_100000741246_100000034017 [0,2,0,0,0,0|1,0,0]=3 9529 B12R0.285 CCCC(=O)OCN[C@@H](C)CC#N 2230a_100016994482_100000034017 [0,2,0,0,0,0|1,0,0]=3 9530 B12R0.285 CCCC(=O)OCN[C@H](C)CCO 2230a_100000706166_100000034017 [0,2,0,0,0,0|1,0,0]=3 9531 B12R0.285 CCCC(=O)OCN[C@H](C)CCO 34a_100000706166_100000034017 [0,2,0,0,0,0|1,0,0]=3 9532 B12R0.285 CCCC(=O)OCN[C@H](C)COC 2230a_100000764878_100000034017 [0,2,0,0,0,0|1,0,0]=3 9533 B12R0.285 CCCC(=O)OCOC(C)CCBr 34a_100012276601_100000034017 [0,2,0,0,0,0|1,0,0]=3 9534 B12R0.285 CCCC(=O)OCOC(C)CCC 34a_100000764384_100000034017 [0,2,0,0,0,0|1,0,0]=3 9535 B12R0.285 CCCC(=O)OCO[C@H](C)COC 34a_100011934205_100000034017 [0,2,0,0,0,0|1,0,0]=3 9536 B12R0.285 CCCC(=O)OCSC(C)CC#N 62a_100009813641_100000034017 [0,2,0,0,0,0|1,0,0]=3 9537 B12R0.285 CCCC(=O)OCSC(C)CCC 62a_100000766640_100000034017 [0,2,0,0,0,0|1,0,0]=3 9538 B12R0.285 CCCC(=O)OCSC(C)CCO 62a_100009893172_100000034017 [0,2,0,0,0,0|1,0,0]=3 9539 B12R0.285 CCCC(=O)OCSC(C)COC 62a_100000765312_100000034017 [0,2,0,0,0,0|1,0,0]=3 9540 B12R0.285 CCCC(C)CCOC(C)CCC 34a_100011217855_100000766640 [0,2,0,0,0,0|1,0,1]=4 9541 B12R0.285 CCCC(C)CCOC(C)CCC 7a_100011217855_100000766640 [0,2,0,0,0,0|1,0,1]=4 9542 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [0,2,0,0,0,0|2,0,0]=4 9543 B12R0.285 CCOC(=O)OCSC(C)CC#N 62a_100009813641_100000075025 [0,2,0,0,0,0|2,0,0]=4 9544 B12R0.285 CCOC(=O)OCSC(C)CCO 62a_100009893172_100000075025 [0,2,0,0,0,0|2,0,0]=4 9545 B12R0.285 CCOC(=O)OCSC(C)COC 62a_100000765312_100000075025 [0,2,0,0,0,0|2,0,0]=4 9546 B12R0.573 C#CC(C)(C)NCOC(=O)CCC 34a_100000054563_100000034017 [0,2,0,0,0,0|1,0,0]=3 9547 B12R0.573 C#CC(C)(C)OCOC(=O)CCC 34a_100000189450_100000034017 [0,2,0,0,0,0|1,0,0]=3 9548 B12R0.573 C#CC(C)(C)SCOC(=O)CCC 62a_100000038118_100000034017 [0,2,0,0,0,0|1,0,0]=3 9549 B12R0.573 C#CC(C)(C)SCOC(=O)OCC 62a_100000038118_100000075025 [0,2,0,0,0,0|2,0,0]=4 9550 B12R0.573 C=CC(C)(C)OCOC(=O)CCC 34a_100011215311_100000034017 [0,2,0,0,0,0|1,0,0]=3 9551 B12R0.573 CC(C)(C#N)CCCC(=O)CCO 1458a_100011216618_100000759902 [0,2,0,0,0,0|2,0,0]=4 9552 B12R0.573 CCCC(=O)CCCC(C)(C)C#N 1458a_100000211992_100000759902 [0,2,0,0,0,0|1,0,0]=3 9553 B12R0.573 CCCC(=O)CNCC(C)(C)CO 2230a_100020635058_100000747444 [0,2,0,0,0,0|2,0,0]=4 9554 B12R0.573 CCCC(=O)CNCC(C)(C)OC 2230a_100000763424_100000747444 [0,2,0,0,0,0|2,0,0]=4 9555 B12R0.573 CCCC(=O)COCC(C)(C)CC 7a_100000765029_100000747444 [0,2,0,0,0,0|2,0,0]=4 9556 B12R0.573 CCCC(=O)COCC(C)(C)CCl 7a_100011217199_100000747444 [0,2,0,0,0,0|2,0,0]=4 9557 B12R0.573 CCCC(=O)CSCC(C)(C)CO 62a_100000747444_100009813988 [0,2,0,0,0,0|2,0,0]=4 9558 B12R0.573 CCCC(=O)CSCC(C)(C)CO 62a_100009813988_100000747444 [0,2,0,0,0,0|2,0,0]=4 9559 B12R0.573 CCCC(=O)CSCC(C)(C)OC 62a_100000701081_100000747444 [0,2,0,0,0,0|2,0,0]=4 9560 B12R0.573 CCCC(=O)CSCC(C)(C)OC 62a_100000747444_100000701081 [0,2,0,0,0,0|2,0,0]=4 9561 B12R0.573 CCCC(=O)OCNC(C)(C)CC 2230a_100000211385_100000034017 [0,2,0,0,0,0|1,0,0]=3 9562 B12R0.573 CCCC(=O)OCNC(C)(C)CO 2230a_100000210608_100000034017 [0,2,0,0,0,0|1,0,0]=3 9563 B12R0.573 CCCC(=O)OCOC(C)(C)C#N 34a_200015195151_100000034017 [0,2,0,0,0,0|1,0,0]=3 9564 B12R0.573 CCCC(=O)OCSC(C)(C)C#N 62a_100011162410_100000034017 [0,2,0,0,0,0|1,0,0]=3 9565 B12R0.573 CCCC(=O)OCSC(C)(C)CC 62a_100000032637_100000034017 [0,2,0,0,0,0|1,0,0]=3 9566 B12R0.573 CCCC(=O)OCSC(F)(F)CO 62a_100011217949_100000034017 [0,2,0,0,0,0|2,0,0]=4 9567 B12R0.573 CCCC(C)OCCC(C)(C)OC 7a_100000699976_100000766640 [0,2,0,0,0,0|1,0,1]=4 9568 B12R0.573 CCOC(=O)OCSC(C)(C)C#N 62a_100011162410_100000075025 [0,2,0,0,0,0|2,0,0]=4 9569 B12R0.573 CCOC(=O)OCSC(C)(C)CC 62a_100000032637_100000075025 [0,2,0,0,0,0|2,0,0]=4 9570 B12R0.573 COCC(=O)CCCC(C)(C)C#N 1458a_100000210968_100000759902 [0,2,0,0,0,0|2,0,0]=4 9571 B12R0.573 CSCC(=O)CCCC(C)(C)C#N 1458a_100000184570_100000759902 [0,2,0,0,0,0|2,0,0]=4 9572 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [1,0,0,1,0,0|2,0,0]=4 9573 B10R1.14 CCC(=O)C1CCN(C1)C 1458a_100000739633_100000210202 [1,0,0,1,0,0|2,0,0]=4 9574 B10R1.14 CCC(=O)N1CCC(C1)O 240690a_100011215560_100000210414 [1,0,0,1,0,0|2,0,0]=4 9575 B10R1.14 CCC(=O)N1CCC(C1)O 527a_100011215560_100000210414 [1,0,0,1,0,0|2,0,0]=4 9576 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210414 [1,0,0,1,0,0|2,0,0]=4 9577 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210414 [1,0,0,1,0,0|2,0,0]=4 9578 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210414 [1,0,0,1,0,0|2,0,0]=4 9579 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210414 [1,0,0,1,0,0|2,0,0]=4 9580 B10R1.14 CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210414 [1,0,0,1,0,0|1,0,0]=3 9581 B10R1.14 CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210414 [1,0,0,1,0,0|1,0,0]=3 9582 B10R1.14 CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210414 [1,0,0,1,0,0|1,0,0]=3 9583 B10R1.14 CNC(=O)N1CC[C@H](C1)C 2708a_100102657272_100016987628 [1,0,0,1,0,0|2,0,0]=4 9584 B10R1.14 CNC(=O)N1CC[C@H](C1)C 273464a_100102657272_100016987628 [1,0,0,1,0,0|2,0,0]=4 9585 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [1,0,0,1,0,0|2,0,0]=4 9586 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [1,0,0,1,0,0|2,0,0]=4 9587 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [1,0,0,1,0,0|2,0,0]=4 9588 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [1,0,0,1,0,0|2,0,0]=4 9589 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [1,0,0,1,0,0|2,0,0]=4 9590 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [1,0,0,1,0,0|2,0,0]=4 9591 B10R1.54 CN(C)CC1CNC(=O)O1 2230a_100102631434_100000181169 [1,0,0,1,0,0|2,0,0]=4 9592 B10R1.54 CN(C)CC1CNC(=O)O1 269982a_100102631434_100000181169 [1,0,0,1,0,0|2,0,0]=4 9593 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [1,0,0,1,0,0|2,0,0]=4 9594 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [1,0,0,1,0,0|2,0,0]=4 9595 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [1,0,0,1,0,0|2,0,0]=4 9596 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [1,0,0,1,0,0|2,0,0]=4 9597 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [1,0,0,1,0,0|2,0,0]=4 9598 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [1,0,0,1,0,0|2,0,0]=4 9599 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [1,0,0,1,0,0|2,0,0]=4 9600 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [1,0,0,1,0,0|2,0,0]=4 9601 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [1,0,0,1,0,0|2,0,0]=4 9602 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [1,0,0,1,0,0|1,0,1]=4 9603 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [1,0,0,1,0,0|1,0,1]=4 9604 B10R1.150 CCC(=O)CN1CC(C1)C 269982a_100000702820_100000747405 [1,0,0,1,0,0|2,0,0]=4 9605 B10R1.150 CCC(=O)NC1CC(C1)F 11a_100016993743_100000210414 [1,0,0,1,0,0|2,0,0]=4 9606 B10R1.150 CCC(=O)NC1CC(C1)F 1626a_100016993743_100000210414 [1,0,0,1,0,0|2,0,0]=4 9607 B10R1.150 CCC(=O)NC1CC(C1)F 240690a_100016993743_100000210414 [1,0,0,1,0,0|2,0,0]=4 9608 B10R1.150 CCC(=O)NC1CC(C1)F 527a_100016993743_100000210414 [1,0,0,1,0,0|2,0,0]=4 9609 B10R1.150 CCC(=O)NC1CN(C1)C 240690a_100015196640_100000210414 [1,0,0,1,0,0|2,0,0]=4 9610 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210414 [1,0,0,1,0,0|2,0,0]=4 9611 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210414 [1,0,0,1,0,0|2,0,0]=4 9612 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210414 [1,0,0,1,0,0|2,0,0]=4 9613 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210414 [1,0,0,1,0,0|2,0,0]=4 9614 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [1,0,0,1,0,0|2,0,0]=4 9615 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [1,0,0,1,0,0|2,0,0]=4 9616 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [1,0,0,1,0,0|2,0,0]=4 9617 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [1,0,0,1,0,0|2,0,0]=4 9618 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [1,0,0,1,0,0|2,0,0]=4 9619 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 9620 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 9621 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 9622 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [1,0,0,1,0,0|2,0,0]=4 9623 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [1,0,0,1,0,0|1,0,1]=4 9624 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [1,0,0,1,0,0|1,0,1]=4 9625 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [1,0,0,1,0,0|1,0,1]=4 9626 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [1,0,0,1,0,0|2,0,0]=4 9627 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 9628 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 9629 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 9630 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 9631 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [1,0,0,1,0,0|2,0,0]=4 9632 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [1,0,0,1,0,0|2,0,0]=4 9633 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [1,0,0,1,0,0|2,0,0]=4 9634 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [1,0,0,1,0,0|1,0,1]=4 9635 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [1,0,0,1,0,0|1,0,1]=4 9636 B10R1.350 CC(C)CCOC1(CC1)C 7a_100011725673_100000210626 [1,0,0,1,0,0|1,0,1]=4 9637 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 9638 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 9639 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 9640 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [1,0,0,1,0,0|1,0,1]=4 9641 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [1,0,0,1,0,0|1,0,1]=4 9642 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [1,0,0,1,0,0|1,0,1]=4 9643 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [1,0,0,1,0,0|2,0,0]=4 9644 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [1,0,0,1,0,0|2,0,0]=4 9645 B10R1.18 CC(C)NC1C=CCCC1 2230a_100138425928_100000751183 [1,0,0,1,0,0|2,0,0]=4 9646 B10R1.18 CC(C)OC1C=CCCC1 34a_100011215024_100000210206 [1,0,0,1,0,0|2,0,0]=4 9647 B10R1.18 CC(C)OC1CCCCO1 34a_100000033831_100000210206 [1,0,0,1,0,0|1,0,1]=4 9648 B10R1.18 CC(C)SC1C=CCCC1 62a_100000210206_100000751183 [1,0,0,1,0,0|2,0,0]=4 9649 B10R1.18 CC(C)SC1C=CCCC1 62a_100000751183_100000210206 [1,0,0,1,0,0|2,0,0]=4 9650 B10R1.18 CN(C)CC1CCCCO1 2230a_100000225654_200000210301 [1,0,0,1,0,0|1,0,1]=4 9651 B10R1.18 CN(C)CC1CCCCO1 2230a_100102631434_100000211543 [1,0,0,1,0,0|1,0,1]=4 9652 B10R1.18 CN(C)CC1CCCCO1 269982a_100000225654_200000210301 [1,0,0,1,0,0|1,0,1]=4 9653 B10R1.18 CN(C)CC1CCCCO1 269982a_100102631434_100000211543 [1,0,0,1,0,0|1,0,1]=4 9654 B10R1.18 CN(C)CC1CCCCO1 34a_100000225654_200000210301 [1,0,0,1,0,0|1,0,1]=4 9655 B10R1.18 CN([13CH3])CC1CCCCO1 2230a_100000225654_200025704644 [1,0,0,1,0,0|1,0,1]=4 9656 B10R1.18 CN([13CH3])CC1CCCCO1 269982a_100000225654_200025704644 [1,0,0,1,0,0|1,0,1]=4 9657 B10R1.18 CN([13CH3])CC1CCCCO1 34a_100000225654_200025704644 [1,0,0,1,0,0|1,0,1]=4 9658 B10R1.39 CCC1C=CCN1C(C)C 2230a_100000730860_100000210206 [1,0,0,1,0,0|2,0,0]=4 9659 B10R1.39 CCC1C=CCN1C(C)C 269982a_100000730860_100000210206 [1,0,0,1,0,0|2,0,0]=4 9660 B10R1.39 CCC1C=CCN1C(C)C 34a_100000730860_100000210206 [1,0,0,1,0,0|2,0,0]=4 9661 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [1,0,0,1,0,0|1,0,1]=4 9662 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [1,0,0,1,0,0|1,0,1]=4 9663 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [1,0,0,1,0,0|1,0,1]=4 9664 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [1,0,0,1,0,0|1,0,1]=4 9665 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [1,0,0,1,0,0|0,0,1]=3 9666 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [1,0,0,1,0,0|0,0,1]=3 9667 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [1,0,0,1,0,0|1,0,1]=4 9668 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [1,0,0,1,0,0|1,0,1]=4 9669 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [1,0,0,1,0,0|1,0,1]=4 9670 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [1,0,0,1,0,0|1,0,1]=4 9671 B10R1.61 CC(C)[C@H]1COCCN1C 2230a_100025712635_200000210301 [1,0,0,1,0,0|1,0,1]=4 9672 B10R1.61 CC(C)[C@H]1COCCN1C 269982a_100025712635_200000210301 [1,0,0,1,0,0|1,0,1]=4 9673 B10R1.61 CC(C)[C@H]1COCCN1C 34a_100025712635_200000210301 [1,0,0,1,0,0|1,0,1]=4 9674 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 2230a_100025712635_200025704644 [1,0,0,1,0,0|1,0,1]=4 9675 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 269982a_100025712635_200025704644 [1,0,0,1,0,0|1,0,1]=4 9676 B10R1.61 CC(C)[C@H]1COCCN1[13CH3] 34a_100025712635_200025704644 [1,0,0,1,0,0|1,0,1]=4 9677 B10R1.66 CC(C)CCN1CCCC1 2230a_100000188435_100000210312 [1,0,0,1,0,0|1,0,1]=4 9678 B10R1.66 CC(C)CCN1CCCC1 269982a_100000188435_100000210312 [1,0,0,1,0,0|1,0,1]=4 9679 B10R1.126 CC(Br)CCOCC1CC1 34a_100009893172_100000742324 [1,0,0,1,0,0|1,0,1]=4 9680 B10R1.126 CC(C)CCCNC1CC1 34a_100000212008_100011214892 [1,0,0,1,0,0|2,0,0]=4 9681 B10R1.126 CC(C)CCCNC1CC1 34a_200000737386_100000211595 [1,0,0,1,0,0|2,0,0]=4 9682 B10R1.126 CC(C)CCCOC1CC1 34a_100000210774_100000211595 [1,0,0,1,0,0|2,0,0]=4 9683 B10R1.126 CC(C)CCCSC1CC1 62a_100011214892_100000211595 [1,0,0,1,0,0|2,0,0]=4 9684 B10R1.126 CC(C)CCNCC1CC1 2230a_100000735609_100000210312 [1,0,0,1,0,0|1,0,1]=4 9685 B10R1.126 CC(C)CCNCC1CC1 269862a_100000210545_100000741477 [1,0,0,1,0,0|1,0,1]=4 9686 B10R1.126 CC(C)CCNCC1CC1 34a_100000735609_100000210312 [1,0,0,1,0,0|1,0,1]=4 9687 B10R1.126 CC(C)CCOCC1CC1 34a_100000210254_100000742324 [1,0,0,1,0,0|0,0,1]=3 9688 B10R1.126 CC(C)CCOCC1CC1 34a_100000211283_100000210312 [1,0,0,1,0,0|0,0,1]=3 9689 B10R1.126 CC(C)CCOCC1CC1 7a_100000210254_100000742324 [1,0,0,1,0,0|0,0,1]=3 9690 B10R1.126 CC(C)CCOCC1CO1 34a_100000210254_102125554688 [1,0,0,1,0,0|1,0,1]=4 9691 B10R1.126 CC(C)CCOCC1CO1 7a_100000210254_102125554688 [1,0,0,1,0,0|1,0,1]=4 9692 B10R1.126 CC(C)CCOCC1CS1 7a_100000210254_100000031435 [1,0,0,1,0,0|1,0,1]=4 9693 B10R1.126 CC(C)CCOC[C@@H]1CO1 34a_100000757423_100000210312 [1,0,0,1,0,0|1,0,1]=4 9694 B10R1.126 CC(C)CCOC[C@@H]1CO1 7a_100000210254_100000745022 [1,0,0,1,0,0|1,0,1]=4 9695 B10R1.126 CC(C)CCSCC1CC1 62a_100000210312_100000742324 [1,0,0,1,0,0|0,1,1]=4 9696 B10R1.126 CC(C)CCSCC1CC1 62a_100000756562_100000210312 [1,0,0,1,0,0|0,1,1]=4 9697 B10R1.126 CC(C)OCOCC1CC1 34a_100000211283_100000709892 [1,0,0,1,0,0|1,0,1]=4 9698 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [1,0,0,1,0,0|1,0,1]=4 9699 B10R1.126 C[C@@H](N)CCOCC1CC1 34a_100000706166_100000742324 [1,0,0,1,0,0|1,0,1]=4 9700 B10R1.133 CCCN1CCCC1(C)C 2230a_100000761399_100000210303 [1,0,0,1,0,0|2,0,0]=4 9701 B10R1.133 CCCN1CCCC1(C)C 269982a_100000761399_100000210303 [1,0,0,1,0,0|2,0,0]=4 9702 B10R1.133 CCCN1CCCC1(C)C 34a_100000761399_100000210303 [1,0,0,1,0,0|2,0,0]=4 9703 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [1,0,0,1,0,0|1,0,1]=4 9704 B10R1.177 CCC/C=C/COC1CC1 34a_100016278788_100000211595 [1,0,0,1,0,0|2,0,0]=4 9705 B10R1.177 CCCC=NNCC1CC1 4a_100000736359_100000185831 [1,0,0,1,0,0|2,0,0]=4 9706 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [1,0,0,1,0,0|1,0,1]=4 9707 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [1,0,0,1,0,0|1,0,1]=4 9708 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [1,0,0,1,0,0|1,0,1]=4 9709 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [1,0,0,1,0,0|0,0,1]=3 9710 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [1,0,0,1,0,0|0,0,1]=3 9711 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [1,0,0,1,0,0|0,0,1]=3 9712 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [1,0,0,1,0,0|0,0,1]=3 9713 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [1,0,0,1,0,0|1,0,1]=4 9714 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [1,0,0,1,0,0|1,0,1]=4 9715 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [1,0,0,1,0,0|1,0,1]=4 9716 B10R1.177 CCCCOCNC1CC1 34a_100000212008_100011995733 [1,0,0,1,0,0|1,0,1]=4 9717 B10R1.177 CCCCOCSC1CC1 62a_100011995733_100000211595 [1,0,0,1,0,0|1,0,1]=4 9718 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [1,0,0,1,0,0|0,1,1]=4 9719 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [1,0,0,1,0,0|0,1,1]=4 9720 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [1,0,0,1,0,0|1,0,1]=4 9721 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [1,0,0,1,0,0|1,0,1]=4 9722 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [1,0,0,1,0,0|1,0,1]=4 9723 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [1,0,0,1,0,0|1,0,1]=4 9724 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [1,0,0,1,0,0|1,0,1]=4 9725 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [1,0,0,1,0,0|1,0,1]=4 9726 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [1,0,0,1,0,0|1,0,1]=4 9727 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [1,0,0,1,0,0|1,0,1]=4 9728 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [1,0,0,1,0,0|1,0,1]=4 9729 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [1,0,0,1,0,0|1,0,1]=4 9730 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [1,0,0,1,0,0|1,0,1]=4 9731 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [1,0,0,1,0,0|1,0,1]=4 9732 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [1,0,0,1,0,0|1,0,1]=4 9733 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [1,0,0,1,0,0|1,0,1]=4 9734 B10R1.375 CCCOCC1CC1(C)C 34a_100000728257_100000210303 [1,0,0,1,0,0|2,0,0]=4 9735 B10R1.375 CCCOCC1CC1(C)C 7a_100000728257_100000210303 [1,0,0,1,0,0|2,0,0]=4 9736 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [1,0,0,1,0,0|1,0,1]=4 9737 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [1,0,0,1,0,0|1,0,0]=3 9738 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [1,0,0,1,0,0|1,0,0]=3 9739 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [1,0,0,1,0,0|2,0,0]=4 9740 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [1,0,0,1,0,0|2,0,0]=4 9741 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [1,0,0,1,0,0|2,0,0]=4 9742 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [1,0,0,1,0,0|1,0,0]=3 9743 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [1,0,0,1,0,0|1,0,0]=3 9744 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 9745 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 9746 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 9747 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [1,0,0,1,0,0|2,0,0]=4 9748 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [1,0,0,1,0,0|2,0,0]=4 9749 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [1,0,0,1,0,0|2,0,0]=4 9750 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [1,0,0,1,0,0|2,0,0]=4 9751 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 9752 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 9753 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [1,0,0,1,0,0|2,0,0]=4 9754 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [1,0,0,1,0,0|2,0,0]=4 9755 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [1,0,0,1,0,0|2,0,0]=4 9756 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [1,0,0,1,0,0|2,0,0]=4 9757 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [1,0,0,1,0,0|2,0,0]=4 9758 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [1,0,0,1,0,0|2,0,0]=4 9759 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [1,0,0,1,0,0|2,0,0]=4 9760 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [1,0,0,1,0,0|2,0,0]=4 9761 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [1,0,0,1,0,0|2,0,0]=4 9762 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [1,0,0,1,0,0|2,0,0]=4 9763 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [1,0,0,1,0,0|2,0,0]=4 9764 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [1,0,0,1,0,0|2,0,0]=4 9765 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [1,0,0,1,0,0|2,0,0]=4 9766 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [1,0,0,1,0,0|2,0,0]=4 9767 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [1,0,0,1,0,0|2,0,0]=4 9768 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [1,0,0,1,0,0|2,0,0]=4 9769 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [1,0,0,1,0,0|2,0,0]=4 9770 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [1,0,0,1,0,0|2,0,0]=4 9771 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [1,0,0,1,0,0|2,0,0]=4 9772 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [1,0,0,1,0,0|2,0,0]=4 9773 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [1,0,0,1,0,0|2,0,0]=4 9774 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [1,0,0,1,0,0|2,0,0]=4 9775 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|2,0,0]=4 9776 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 9777 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 9778 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 9779 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 9780 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|2,0,0]=4 9781 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|2,0,0]=4 9782 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [1,0,0,1,0,0|2,0,0]=4 9783 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [1,0,0,1,0,0|2,0,0]=4 9784 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 9785 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 9786 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|2,0,0]=4 9787 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|2,0,0]=4 9788 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [1,0,0,1,0,0|2,0,0]=4 9789 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [1,0,0,1,0,0|2,0,0]=4 9790 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [1,0,0,1,0,0|1,0,1]=4 9791 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [1,0,0,1,0,0|1,0,1]=4 9792 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [1,0,0,1,0,0|1,0,1]=4 9793 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [1,0,0,1,0,0|1,0,1]=4 9794 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [1,0,0,1,0,0|0,0,2]=4 9795 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,1,0,0|2,0,0]=4 9796 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,1,0,0|2,0,0]=4 9797 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,1,0,0|2,0,0]=4 9798 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,1,0,0|2,0,0]=4 9799 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [1,0,0,1,0,0|2,0,0]=4 9800 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [1,0,0,1,0,0|2,0,0]=4 9801 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [1,0,0,1,0,0|2,0,0]=4 9802 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 9803 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [1,0,0,1,0,0|2,0,0]=4 9804 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 9805 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 9806 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [1,0,0,1,0,0|2,0,0]=4 9807 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 9808 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [1,0,0,1,0,0|2,0,0]=4 9809 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [1,0,0,1,0,0|2,0,0]=4 9810 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [1,0,0,1,0,0|2,0,0]=4 9811 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 9812 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 9813 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [1,0,0,1,0,0|2,0,0]=4 9814 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [1,0,0,1,0,0|2,0,0]=4 9815 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [1,0,0,1,0,0|2,0,0]=4 9816 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [1,0,0,1,0,0|2,0,0]=4 9817 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [1,0,0,1,0,0|1,0,0]=3 9818 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [1,0,0,1,0,0|2,0,0]=4 9819 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [1,0,0,1,0,0|2,0,0]=4 9820 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [1,0,0,1,0,0|2,0,0]=4 9821 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [1,0,0,1,0,0|2,0,0]=4 9822 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [1,0,0,1,0,0|2,0,0]=4 9823 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 9824 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 9825 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 9826 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 9827 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [1,0,0,1,0,0|1,0,1]=4 9828 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [1,0,0,1,0,0|1,0,0]=3 9829 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [1,0,0,1,0,0|1,0,0]=3 9830 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [1,0,0,1,0,0|2,0,0]=4 9831 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [1,0,0,1,0,0|2,0,0]=4 9832 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [1,0,0,1,0,0|2,0,0]=4 9833 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [1,0,0,1,0,0|2,0,0]=4 9834 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 9835 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 9836 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 9837 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 9838 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 9839 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 9840 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 9841 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 9842 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 9843 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 9844 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 9845 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 9846 B10R1.137 CCCC(C)OC1CCC1 34a_100000748187_100000766640 [1,0,0,1,0,0|1,0,1]=4 9847 B10R1.137 CCCC(C)OC1CCC1 34a_100000764384_100000749161 [1,0,0,1,0,0|1,0,1]=4 9848 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [1,0,0,1,0,0|2,0,0]=4 9849 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [1,0,0,1,0,0|2,0,0]=4 9850 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [1,0,0,1,0,0|2,0,0]=4 9851 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 9852 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 9853 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 9854 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 9855 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 9856 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [1,0,0,1,0,0|2,0,0]=4 9857 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 9858 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 9859 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 9860 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 9861 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [1,0,0,1,0,0|2,0,0]=4 9862 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 9863 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 9864 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 9865 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 9866 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [1,0,0,1,0,0|2,0,0]=4 9867 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [1,0,0,1,0,0|2,0,0]=4 9868 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [1,0,0,1,0,0|2,0,0]=4 9869 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [1,0,0,1,0,0|2,0,0]=4 9870 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [1,0,0,1,0,0|1,0,1]=4 9871 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [1,0,0,1,0,0|1,0,0]=3 9872 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [1,0,0,1,0,0|1,0,0]=3 9873 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [1,0,0,1,0,0|2,0,0]=4 9874 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [1,0,0,1,0,0|2,0,0]=4 9875 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 9876 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 9877 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 9878 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 9879 B10R1.138 CCCC(=O)NNC1CC1 22a_100000701032_100000211992 [1,0,0,1,0,0|2,0,0]=4 9880 B10R1.138 CCCC(C)OCC1CC1 34a_100000211283_100000766640 [1,0,0,1,0,0|1,0,1]=4 9881 B10R1.138 CCCC(C)OCC1CC1 34a_100000764384_100000742324 [1,0,0,1,0,0|1,0,1]=4 9882 B10R1.138 CCCC(C)OCC1CC1 7a_100000764384_100000742324 [1,0,0,1,0,0|1,0,1]=4 9883 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [1,0,0,1,0,0|2,0,0]=4 9884 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [1,0,0,1,0,0|2,0,0]=4 9885 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [1,0,0,1,0,0|2,0,0]=4 9886 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 9887 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 9888 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 9889 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 9890 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 9891 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 9892 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [1,0,0,1,0,0|2,0,0]=4 9893 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 9894 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 9895 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 9896 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 9897 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [1,0,0,1,0,0|2,0,0]=4 9898 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 9899 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 9900 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 9901 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 9902 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [1,0,0,1,0,0|2,0,0]=4 9903 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [1,0,0,1,0,0|2,0,0]=4 9904 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [1,0,0,1,0,0|2,0,0]=4 9905 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [1,0,0,1,0,0|2,0,0]=4 9906 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [1,0,0,1,0,0|2,0,0]=4 9907 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 9908 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 9909 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 9910 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 9911 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 9912 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 9913 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 9914 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 9915 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 9916 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 9917 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 9918 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [1,0,0,1,0,0|1,0,0]=3 9919 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [1,0,0,1,0,0|2,0,0]=4 9920 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 9921 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 9922 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 9923 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 9924 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 9925 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 9926 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 9927 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 9928 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [1,0,0,1,0,0|1,0,1]=4 9929 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [1,0,0,1,0,0|1,0,1]=4 9930 B10R1.186 CCCNNC(=O)C1CC1 22a_100000740057_100000210395 [1,0,0,1,0,0|2,0,0]=4 9931 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [1,0,0,1,0,0|2,0,0]=4 9932 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [1,0,0,1,0,0|2,0,0]=4 9933 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [1,0,0,1,0,0|2,0,0]=4 9934 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [1,0,0,1,0,0|2,0,0]=4 9935 B10R1.186 CCNCOC(=O)C1CC1 2230a_100015525214_100000140896 [1,0,0,1,0,0|1,0,0]=3 9936 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [1,0,0,1,0,0|2,0,0]=4 9937 B10R1.186 CCOCOC(=O)C1CC1 34a_100121572206_100000140896 [1,0,0,1,0,0|1,0,0]=3 9938 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [1,0,0,1,0,0|2,0,0]=4 9939 B10R1.186 CCSCOC(=O)C1CC1 62a_100000140896_100000210202 [1,0,0,1,0,0|1,0,0]=3 9940 B10R1.186 CCSCOC(=O)C1CC1 62a_100000210202_100000140896 [1,0,0,1,0,0|1,0,0]=3 9941 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [1,0,0,1,0,0|2,0,0]=4 9942 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 9943 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 9944 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 9945 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 9946 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 9947 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 9948 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 9949 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [1,0,0,1,0,0|2,0,0]=4 9950 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [1,0,0,1,0,0|2,0,0]=4 9951 B10R1.186 O=C(NCCCF)C1CC1 11a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 9952 B10R1.186 O=C(NCCCF)C1CC1 1626a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 9953 B10R1.186 O=C(NCCCF)C1CC1 240690a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 9954 B10R1.186 O=C(NCCCF)C1CC1 527a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 9955 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [1,0,0,1,0,0|2,0,0]=4 9956 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [1,0,0,1,0,0|2,0,0]=4 9957 B10R1.186 O=C(OCSCF)C1CC1 62a_100000140896_100015361967 [1,0,0,1,0,0|2,0,0]=4 9958 B10R1.186 O=C(OCSCF)C1CC1 62a_100015361967_100000140896 [1,0,0,1,0,0|2,0,0]=4 9959 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 9960 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 9961 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 9962 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 9963 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 9964 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 9965 B10R1.376 CCCCOC1(CCC1)C 34a_100000759064_100000210210 [1,0,0,1,0,0|1,0,1]=4 9966 B10R1.376 CCCCOC1(CCC1)C 7a_100000759064_100000210211 [1,0,0,1,0,0|1,0,1]=4 9967 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [0,0,0,1,1,0|2,0,0]=4 9968 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [0,0,0,1,1,0|2,0,0]=4 9969 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [0,0,0,1,1,0|2,0,0]=4 9970 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 34a_100009815050_200025704644 [0,0,0,1,1,0|1,0,0]=3 9971 B10R1.43 CC1(COC(=O)[C@@H]1O[13CH3])C 7a_100009815050_200025704644 [0,0,0,1,1,0|1,0,0]=3 9972 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 34a_100009815050_200000210301 [0,0,0,1,1,0|1,0,0]=3 9973 B10R1.43 CO[C@H]1C(=O)OCC1(C)C 7a_100009815050_200000210301 [0,0,0,1,1,0|1,0,0]=3 9974 B10R1.82 CC(C)CCN1CC(C1)C 2230a_100000702820_100000210312 [0,0,0,1,1,0|2,0,0]=4 9975 B10R1.82 CC(C)CCN1CC(C1)C 269982a_100000702820_100000210312 [0,0,0,1,1,0|2,0,0]=4 9976 B10R1.82 CC(C)CCN1CC(C1)C 34a_100000702820_100000210312 [0,0,0,1,1,0|2,0,0]=4 9977 B10R1.95 CCCN1CCC(C1)(C)C 2230a_100000764714_100000210303 [0,0,0,1,1,0|2,0,0]=4 9978 B10R1.95 CCCN1CCC(C1)(C)C 269982a_100000764714_100000210303 [0,0,0,1,1,0|2,0,0]=4 9979 B10R1.113 CC(C)N1CCNC(=O)C1 2230a_100000184651_100000210206 [0,0,0,1,1,0|2,0,0]=4 9980 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,0,0,1,1,0|2,0,0]=4 9981 B10R1.140 C#CCC(=O)C1CC(C1)C 1458a_100000686124_100000184674 [0,0,0,1,1,0|0,0,2]=4 9982 B10R1.140 C=C1CC(C1)C(=O)CCC 1458a_100000065620_100000210303 [0,0,0,1,1,0|0,0,2]=4 9983 B10R1.140 C=CCC(=O)C1CC(C1)C 1458a_100000686124_100000210623 [0,0,0,1,1,0|0,0,2]=4 9984 B10R1.140 CC1CC(C1)C(=O)CC#N 1458a_100000686124_100011214920 [0,0,0,1,1,0|1,0,1]=4 9985 B10R1.140 CC1CC(C1)C(=O)CCF 1458a_100000686124_100011217306 [0,0,0,1,1,0|1,0,0]=3 9986 B10R1.140 CC1CC(C1)C(=O)CCO 1458a_100000686124_100000211926 [0,0,0,1,1,0|1,0,0]=3 9987 B10R1.140 CC1CN(C1)C(=O)CCO 240690a_100000702820_100011216618 [0,0,0,1,1,0|2,0,0]=4 9988 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,0,0,1,1,0|0,0,0]=2 9989 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,0,0,1,1,0|1,0,0]=3 9990 B10R1.140 CCCC(=O)C1CN(C1)C 1458a_100012002723_100000210303 [0,0,0,1,1,0|1,0,0]=3 9991 B10R1.140 CCCC(=O)N1CC(C1)C 11a_100000702820_100000211992 [0,0,0,1,1,0|1,0,0]=3 9992 B10R1.140 CCCC(=O)N1CC(C1)C 240690a_100000702820_100000211992 [0,0,0,1,1,0|1,0,0]=3 9993 B10R1.140 CCCC(=O)N1CC(C1)C 527a_100000702820_100000211992 [0,0,0,1,1,0|1,0,0]=3 9994 B10R1.140 CCCC(=O)N1CC(C1)F 11a_100000690557_100000211992 [0,0,0,1,1,0|2,0,0]=4 9995 B10R1.140 CCCC(=O)N1CC(C1)F 240690a_100000690557_100000211992 [0,0,0,1,1,0|2,0,0]=4 9996 B10R1.140 CCCC(=O)N1CC(C1)F 527a_100000690557_100000211992 [0,0,0,1,1,0|2,0,0]=4 9997 B10R1.140 CCCC(=O)N1CC(C1)O 11a_100000749847_100000211992 [0,0,0,1,1,0|2,0,0]=4 9998 B10R1.140 CCCC(=O)N1CC(C1)O 240690a_100000749847_100000211992 [0,0,0,1,1,0|2,0,0]=4 9999 B10R1.140 CCCC(=O)N1CC(C1)O 527a_100000749847_100000211992 [0,0,0,1,1,0|2,0,0]=4 10000 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,0,0,1,1,0|1,0,0]=3 10001 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,0,0,1,1,0|1,0,0]=3 10002 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,0,0,1,1,0|1,0,0]=3 10003 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,0,0,1,1,0|1,0,0]=3 10004 B10R1.140 CCNC(=O)C1CC(C1)F 11a_100015525214_100000062598 [0,0,0,1,1,0|2,0,0]=4 10005 B10R1.140 CCNC(=O)C1CC(C1)F 240690a_100015525214_100000062598 [0,0,0,1,1,0|2,0,0]=4 10006 B10R1.140 CCNC(=O)C1CC(C1)F 527a_100015525214_100000062598 [0,0,0,1,1,0|2,0,0]=4 10007 B10R1.140 CCNC(=O)C1CN(C1)C 240690a_100015525214_100012002723 [0,0,0,1,1,0|2,0,0]=4 10008 B10R1.140 CCNC(=O)N1CC(C1)C 2708a_100015525214_100000702820 [0,0,0,1,1,0|2,0,0]=4 10009 B10R1.140 CCNC(=O)N1CC(C1)C 273464a_100015525214_100000702820 [0,0,0,1,1,0|2,0,0]=4 10010 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 240690a_100015525214_100015266633 [0,0,0,1,1,0|2,0,0]=4 10011 B10R1.140 CCNC(=O)[C@H]1C[C@H](C1)O 527a_100015525214_100015266633 [0,0,0,1,1,0|2,0,0]=4 10012 B10R1.140 CCOC(=O)C1CN(C1)C 269982a_100015188541_200000210301 [0,0,0,1,1,0|2,0,0]=4 10013 B10R1.140 CCOC(=O)C1CN(C1)[13CH3] 269982a_100015188541_200025704644 [0,0,0,1,1,0|2,0,0]=4 10014 B10R1.140 CN1CC(C1)C(=O)CCF 1458a_100012002723_100011217306 [0,0,0,1,1,0|2,0,0]=4 10015 B10R1.140 CN1CC(C1)C(=O)CCO 1458a_100012002723_100000211926 [0,0,0,1,1,0|2,0,0]=4 10016 B10R1.140 CNNC(=O)C1CC(C1)C 22a_100016993582_100000686124 [0,0,0,1,1,0|2,0,0]=4 10017 B10R1.140 COCC(=O)N1CC(C1)C 11a_100000702820_100000210968 [0,0,0,1,1,0|2,0,0]=4 10018 B10R1.140 COCC(=O)N1CC(C1)C 240690a_100000702820_100000210968 [0,0,0,1,1,0|2,0,0]=4 10019 B10R1.140 COCC(=O)N1CC(C1)C 527a_100000702820_100000210968 [0,0,0,1,1,0|2,0,0]=4 10020 B10R1.140 CSCC(=O)N1CC(C1)C 11a_100000702820_100000184570 [0,0,0,1,1,0|2,0,0]=4 10021 B10R1.140 CSCC(=O)N1CC(C1)C 240690a_100000702820_100000184570 [0,0,0,1,1,0|2,0,0]=4 10022 B10R1.140 CSCC(=O)N1CC(C1)C 527a_100000702820_100000184570 [0,0,0,1,1,0|2,0,0]=4 10023 B10R1.140 O=C(CCF)C1CC(C1)F 1458a_100000062598_100011217306 [0,0,0,1,1,0|2,0,0]=4 10024 B10R1.140 O=C(CCF)[C@H]1C[C@H](C1)O 1458a_100015266633_100011217306 [0,0,0,1,1,0|2,0,0]=4 10025 B10R1.140 O=C(CCO)C1CC(C1)F 1458a_100000062598_100000211926 [0,0,0,1,1,0|2,0,0]=4 10026 B10R1.140 O=C(CCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100000211926 [0,0,0,1,1,0|2,0,0]=4 10027 B10R1.211 C=C(C)CCC(=O)C1CC1 1458a_100000210395_100000730704 [0,0,0,1,1,0|0,0,2]=4 10028 B10R1.211 CC(=CCC(=O)C1CC1)C 1458a_100000210395_100000761012 [0,0,0,1,1,0|0,0,2]=4 10029 B10R1.211 CC(=O)COC(=O)C1CC1 1458a_100000070787_100000140896 [0,0,0,1,1,0|1,0,1]=4 10030 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,0,0,1,1,0|0,0,0]=2 10031 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [0,0,0,1,1,0|1,0,0]=3 10032 B10R1.211 CC(C)CCN(C)C1CC1 2230a_100000226674_100000210312 [0,0,0,1,1,0|2,0,0]=4 10033 B10R1.211 CC(C)CCN(C)C1CC1 2230a_100000737065_200000210301 [0,0,0,1,1,0|2,0,0]=4 10034 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000226674_100000210312 [0,0,0,1,1,0|2,0,0]=4 10035 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000737065_200000210301 [0,0,0,1,1,0|2,0,0]=4 10036 B10R1.211 CC(C)CCN(C)C1CC1 269982a_100000742789_100000211595 [0,0,0,1,1,0|2,0,0]=4 10037 B10R1.211 CC(C)CCN([13CH3])C1CC1 2230a_100000737065_200025704644 [0,0,0,1,1,0|2,0,0]=4 10038 B10R1.211 CC(C)CCN([13CH3])C1CC1 269982a_100000737065_200025704644 [0,0,0,1,1,0|2,0,0]=4 10039 B10R1.211 CC(C)CNC(=O)C1CC1 11a_100000210953_100000210395 [0,0,0,1,1,0|1,0,0]=3 10040 B10R1.211 CC(C)CNC(=O)C1CC1 1626a_100000210953_100000210395 [0,0,0,1,1,0|1,0,0]=3 10041 B10R1.211 CC(C)CNC(=O)C1CC1 240690a_100000210953_100000210395 [0,0,0,1,1,0|1,0,0]=3 10042 B10R1.211 CC(C)CNC(=O)C1CC1 527a_100000210953_100000210395 [0,0,0,1,1,0|1,0,0]=3 10043 B10R1.211 CC(C)CNC(=O)C1CO1 11a_100000210953_100000701028 [0,0,0,1,1,0|2,0,0]=4 10044 B10R1.211 CC(C)CNC(=O)C1CO1 1626a_100000210953_100000701028 [0,0,0,1,1,0|2,0,0]=4 10045 B10R1.211 CC(C)CNC(=O)C1CO1 240690a_100000210953_100000701028 [0,0,0,1,1,0|2,0,0]=4 10046 B10R1.211 CC(C)CNC(=O)C1CO1 527a_100000210953_100000701028 [0,0,0,1,1,0|2,0,0]=4 10047 B10R1.211 CC(C)COC(C)C1CC1 34a_100000744524_100000210624 [0,0,0,1,1,0|1,0,1]=4 10048 B10R1.211 CC(C)COC(C)C1CC1 7a_100000744524_100000210760 [0,0,0,1,1,0|1,0,1]=4 10049 B10R1.211 CC(C)NCC(=O)C1CC1 2230a_100138425928_100000746382 [0,0,0,1,1,0|1,0,0]=3 10050 B10R1.211 CC(C)NCC(=O)C1CC1 34a_100138425928_100000746382 [0,0,0,1,1,0|1,0,0]=3 10051 B10R1.211 CC(C)NNC(=O)C1CC1 22a_100000741168_100000210395 [0,0,0,1,1,0|2,0,0]=4 10052 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000212225_100000746382 [0,0,0,1,1,0|1,0,0]=3 10053 B10R1.211 CC(C)OCC(=O)C1CC1 34a_100000686663_100000210206 [0,0,0,1,1,0|1,0,0]=3 10054 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000210206_100000746382 [0,0,0,1,1,0|1,0,0]=3 10055 B10R1.211 CC(C)SCC(=O)C1CC1 62a_100000746382_100000210206 [0,0,0,1,1,0|1,0,0]=3 10056 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,0,0,1,1,0|1,0,0]=3 10057 B10R1.211 CC(O)CCC(=O)C1CO1 1458a_100000701028_100012276601 [0,0,0,1,1,0|2,0,0]=4 10058 B10R1.211 CC(O)CNC(=O)C1CC1 11a_100000210904_100000210395 [0,0,0,1,1,0|2,0,0]=4 10059 B10R1.211 CC(O)CNC(=O)C1CC1 240690a_100000210904_100000210395 [0,0,0,1,1,0|2,0,0]=4 10060 B10R1.211 CC(O)CNC(=O)C1CC1 527a_100000210904_100000210395 [0,0,0,1,1,0|2,0,0]=4 10061 B10R1.211 CN(C)COC(=O)C1CC1 2230a_100102631434_100000140896 [0,0,0,1,1,0|1,0,0]=3 10062 B10R1.211 CN(C)COC(=O)C1CC1 269982a_100102631434_100000140896 [0,0,0,1,1,0|1,0,0]=3 10063 B10R1.353 CC(C)COC1(CCC1)C 34a_100000759064_100000210624 [0,0,0,1,1,0|1,0,1]=4 10064 B10R1.353 CC(C)COC1(CCC1)C 7a_100000759064_100000210760 [0,0,0,1,1,0|1,0,1]=4 10065 B10R1.400 C#CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000184674 [0,0,0,1,1,0|0,0,2]=4 10066 B10R1.400 C=CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210623 [0,0,0,1,1,0|0,0,2]=4 10067 B10R1.400 CC1(C[C@@H]1C(=O)CC#N)C 1458a_100000692687_100011214920 [0,0,0,1,1,0|1,0,1]=4 10068 B10R1.400 CC1(C[C@@H]1C(=O)CCF)C 1458a_100000692687_100011217306 [0,0,0,1,1,0|1,0,0]=3 10069 B10R1.400 CC1(C[C@@H]1C(=O)CCO)C 1458a_100000692687_100000211926 [0,0,0,1,1,0|1,0,0]=3 10070 B10R1.400 CCCC(=O)C1CC1(F)F 1458a_100000042250_100000210303 [0,0,0,1,1,0|2,0,0]=4 10071 B10R1.400 CCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210303 [0,0,0,1,1,0|0,0,0]=2 10072 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 11a_100015525214_100000692687 [0,0,0,1,1,0|1,0,0]=3 10073 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 240690a_100015525214_100000692687 [0,0,0,1,1,0|1,0,0]=3 10074 B10R1.400 CCNC(=O)[C@H]1CC1(C)C 527a_100015525214_100000692687 [0,0,0,1,1,0|1,0,0]=3 10075 B10R1.400 CNNC(=O)[C@H]1CC1(C)C 22a_100016993582_100000692687 [0,0,0,1,1,0|2,0,0]=4 10076 B12R1.17 CC1CCCC(C1)C(=O)CCF 1458a_100011215569_100011217306 [0,0,0,1,0,1|2,0,0]=4 10077 B12R1.17 CC1CCCC(C1)C(=O)CCO 1458a_100011215569_100000211926 [0,0,0,1,0,1|2,0,0]=4 10078 B12R1.17 CC1CCCN(C1)C(=O)CS[13CH3] 62a_100000182890_200025704644 [0,0,0,1,0,1|2,0,0]=4 10079 B12R1.17 CC1CN(CCO1)C(=O)CCO 240690a_100000729577_100011216618 [0,0,0,1,0,1|2,0,0]=4 10080 B12R1.17 CCCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210303 [0,0,0,1,0,1|1,0,0]=3 10081 B12R1.17 CCCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210303 [0,0,0,1,0,1|2,0,0]=4 10082 B12R1.17 CCCC(=O)C1CCCN(C1)C 1458a_100015257587_100000210303 [0,0,0,1,0,1|2,0,0]=4 10083 B12R1.17 CCCC(=O)C1CN(CCO1)C 1458a_100011543126_100000210303 [0,0,0,1,0,1|1,0,0]=3 10084 B12R1.17 CCCC(=O)N1CCC=C(C1)C 11a_100000725631_100000211992 [0,0,0,1,0,1|1,0,1]=4 10085 B12R1.17 CCCC(=O)N1CCC=C(C1)C 1626a_100000725631_100000211992 [0,0,0,1,0,1|1,0,1]=4 10086 B12R1.17 CCCC(=O)N1CCC=C(C1)C 240690a_100000725631_100000211992 [0,0,0,1,0,1|1,0,1]=4 10087 B12R1.17 CCCC(=O)N1CCC=C(C1)C 527a_100000725631_100000211992 [0,0,0,1,0,1|1,0,1]=4 10088 B12R1.17 CCCC(=O)N1CCCC(C1)F 11a_100000697950_100000211992 [0,0,0,1,0,1|2,0,0]=4 10089 B12R1.17 CCCC(=O)N1CCCC(C1)F 1626a_100000697950_100000211992 [0,0,0,1,0,1|2,0,0]=4 10090 B12R1.17 CCCC(=O)N1CCCC(C1)F 240690a_100000697950_100000211992 [0,0,0,1,0,1|2,0,0]=4 10091 B12R1.17 CCCC(=O)N1CCCC(C1)F 527a_100000697950_100000211992 [0,0,0,1,0,1|2,0,0]=4 10092 B12R1.17 CCCC(=O)N1CCCC(C1)O 240690a_100000211013_100000211992 [0,0,0,1,0,1|2,0,0]=4 10093 B12R1.17 CCCC(=O)N1CCCC(C1)O 527a_100000211013_100000211992 [0,0,0,1,0,1|2,0,0]=4 10094 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000211992 [0,0,0,1,0,1|1,0,0]=3 10095 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000211992 [0,0,0,1,0,1|1,0,0]=3 10096 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000211992 [0,0,0,1,0,1|1,0,0]=3 10097 B12R1.17 CCCC(=O)N1CCOC(C1)C 11a_100000729577_100000211992 [0,0,0,1,0,1|1,0,0]=3 10098 B12R1.17 CCCC(=O)N1CCOC(C1)C 1626a_100000729577_100000211992 [0,0,0,1,0,1|1,0,0]=3 10099 B12R1.17 CCCC(=O)N1CCOC(C1)C 240690a_100000729577_100000211992 [0,0,0,1,0,1|1,0,0]=3 10100 B12R1.17 CCCC(=O)N1CCOC(C1)C 527a_100000729577_100000211992 [0,0,0,1,0,1|1,0,0]=3 10101 B12R1.17 CCCC(=O)N1CCOC(C1)O 11a_100000688207_100000211992 [0,0,0,1,0,1|2,0,0]=4 10102 B12R1.17 CCCC(=O)N1CCOC(C1)O 240690a_100000688207_100000211992 [0,0,0,1,0,1|2,0,0]=4 10103 B12R1.17 CCCC(=O)N1CCOC(C1)O 527a_100000688207_100000211992 [0,0,0,1,0,1|2,0,0]=4 10104 B12R1.17 CCNC(=O)C1CCCC(C1)C 11a_100015525214_100011215569 [0,0,0,1,0,1|2,0,0]=4 10105 B12R1.17 CCNC(=O)C1CCCC(C1)C 240690a_100015525214_100011215569 [0,0,0,1,0,1|2,0,0]=4 10106 B12R1.17 CCNC(=O)C1CCCC(C1)C 527a_100015525214_100011215569 [0,0,0,1,0,1|2,0,0]=4 10107 B12R1.17 CCNC(=O)C1CN(CCO1)C 11a_100015525214_100011543126 [0,0,0,1,0,1|2,0,0]=4 10108 B12R1.17 CCNC(=O)C1CN(CCO1)C 240690a_100015525214_100011543126 [0,0,0,1,0,1|2,0,0]=4 10109 B12R1.17 CCNC(=O)C1CN(CCO1)C 527a_100015525214_100011543126 [0,0,0,1,0,1|2,0,0]=4 10110 B12R1.17 CCNC(=O)N1CCC[C@@H](C1)C 2708a_100015525214_100000717927 [0,0,0,1,0,1|2,0,0]=4 10111 B12R1.17 CCNC(=O)N1CCC[C@@H](C1)C 273464a_100015525214_100000717927 [0,0,0,1,0,1|2,0,0]=4 10112 B12R1.17 CCNC(=O)N1CCOC(C1)C 2708a_100015525214_100000729577 [0,0,0,1,0,1|2,0,0]=4 10113 B12R1.17 CCNC(=O)N1CCOC(C1)C 273464a_100015525214_100000729577 [0,0,0,1,0,1|2,0,0]=4 10114 B12R1.17 CCOC(=O)C1CN(CCO1)C 2230a_100016995033_200000210301 [0,0,0,1,0,1|2,0,0]=4 10115 B12R1.17 CCOC(=O)C1CN(CCO1)C 269982a_100016995033_200000210301 [0,0,0,1,0,1|2,0,0]=4 10116 B12R1.17 CCOC(=O)C1CN(CCO1)[13CH3] 2230a_100016995033_200025704644 [0,0,0,1,0,1|2,0,0]=4 10117 B12R1.17 CCOC(=O)C1CN(CCO1)[13CH3] 269982a_100016995033_200025704644 [0,0,0,1,0,1|2,0,0]=4 10118 B12R1.17 CN1CCOC(C1)C(=O)CCF 1458a_100011543126_100011217306 [0,0,0,1,0,1|2,0,0]=4 10119 B12R1.17 CN1CCOC(C1)C(=O)CCO 1458a_100011543126_100000211926 [0,0,0,1,0,1|2,0,0]=4 10120 B12R1.17 CNCC(=O)N1CCCC(C1)C 2230a_106832991635_100000182890 [0,0,0,1,0,1|2,0,0]=4 10121 B12R1.17 CNCC(=O)N1CCCC(C1)C 34a_100102657272_100000182890 [0,0,0,1,0,1|2,0,0]=4 10122 B12R1.17 CNCC(=O)N1CCCC(C1)C 7a_106832991635_100000182890 [0,0,0,1,0,1|2,0,0]=4 10123 B12R1.17 COCC(=O)N1CCCC(C1)C 34a_100138415774_100000182890 [0,0,0,1,0,1|2,0,0]=4 10124 B12R1.17 COCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000210968 [0,0,0,1,0,1|2,0,0]=4 10125 B12R1.17 COCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000210968 [0,0,0,1,0,1|2,0,0]=4 10126 B12R1.17 COCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000210968 [0,0,0,1,0,1|2,0,0]=4 10127 B12R1.17 COCC(=O)N1CCOC(C1)C 11a_100000729577_100000210968 [0,0,0,1,0,1|2,0,0]=4 10128 B12R1.17 COCC(=O)N1CCOC(C1)C 1626a_100000729577_100000210968 [0,0,0,1,0,1|2,0,0]=4 10129 B12R1.17 COCC(=O)N1CCOC(C1)C 240690a_100000729577_100000210968 [0,0,0,1,0,1|2,0,0]=4 10130 B12R1.17 COCC(=O)N1CCOC(C1)C 527a_100000729577_100000210968 [0,0,0,1,0,1|2,0,0]=4 10131 B12R1.17 CSCC(=O)N1CCCC(C1)C 62a_100000182890_200000210301 [0,0,0,1,0,1|2,0,0]=4 10132 B12R1.17 CSCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000184570 [0,0,0,1,0,1|2,0,0]=4 10133 B12R1.17 CSCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000184570 [0,0,0,1,0,1|2,0,0]=4 10134 B12R1.17 CSCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000184570 [0,0,0,1,0,1|2,0,0]=4 10135 B12R1.17 CSCC(=O)N1CCOC(C1)C 11a_100000729577_100000184570 [0,0,0,1,0,1|2,0,0]=4 10136 B12R1.17 CSCC(=O)N1CCOC(C1)C 1626a_100000729577_100000184570 [0,0,0,1,0,1|2,0,0]=4 10137 B12R1.17 CSCC(=O)N1CCOC(C1)C 240690a_100000729577_100000184570 [0,0,0,1,0,1|2,0,0]=4 10138 B12R1.17 CSCC(=O)N1CCOC(C1)C 527a_100000729577_100000184570 [0,0,0,1,0,1|2,0,0]=4 10139 B12R1.17 C[C@H]1CCCN(C1)C(=O)CCO 240690a_100000717927_100011216618 [0,0,0,1,0,1|2,0,0]=4 10140 B12R1.31 CCCC(=O)CC1CCN(C1)C 1458a_100000211992_200000690779 [0,0,0,1,0,1|2,0,0]=4 10141 B12R1.31 CCCC(=O)CN1CCC(C1)O 2230a_100011215560_100000747444 [0,0,0,1,0,1|2,0,0]=4 10142 B12R1.31 CCCC(=O)CN1CCC(C1)O 269982a_100011215560_100000747444 [0,0,0,1,0,1|2,0,0]=4 10143 B12R1.31 CCCC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000747444 [0,0,0,1,0,1|2,0,0]=4 10144 B12R1.31 CCCC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000747444 [0,0,0,1,0,1|2,0,0]=4 10145 B12R1.31 CCCC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000747444 [0,0,0,1,0,1|1,0,0]=3 10146 B12R1.31 CCCC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000747444 [0,0,0,1,0,1|1,0,0]=3 10147 B12R1.31 CCCC(=O)NC1CCN(C1)C 1626a_100000744687_100000211992 [0,0,0,1,0,1|2,0,0]=4 10148 B12R1.31 CCCC(=O)NC1CCN(C1)C 240690a_100000744687_100000211992 [0,0,0,1,0,1|2,0,0]=4 10149 B12R1.31 CCCC(=O)NC1CCN(C1)C 527a_100000744687_100000211992 [0,0,0,1,0,1|2,0,0]=4 10150 B12R1.31 CCCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000211992 [0,0,0,1,0,1|2,0,0]=4 10151 B12R1.31 CCCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000211992 [0,0,0,1,0,1|2,0,0]=4 10152 B12R1.31 CCCC(C)OC1CCC(C1)C 34a_100000698185_100000766640 [0,0,0,1,0,1|1,0,1]=4 10153 B12R1.31 CCNC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000183381 [0,0,0,1,0,1|2,0,0]=4 10154 B12R1.31 CCNC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000183381 [0,0,0,1,0,1|2,0,0]=4 10155 B12R1.31 CCNC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000183381 [0,0,0,1,0,1|2,0,0]=4 10156 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000188475 [0,0,0,1,0,1|2,0,0]=4 10157 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000188475 [0,0,0,1,0,1|2,0,0]=4 10158 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000188475 [0,0,0,1,0,1|2,0,0]=4 10159 B12R1.87 CCC1C(=O)NCCN1C(C)C 2230a_100000187962_100000210206 [0,0,0,1,0,1|1,0,0]=3 10160 B12R1.87 CCC1C(=O)NCCN1C(C)C 269982a_100000187962_100000210206 [0,0,0,1,0,1|1,0,0]=3 10161 B12R1.87 CCC1C(=O)NCCN1C(C)C 34a_100000187962_100000210206 [0,0,0,1,0,1|1,0,0]=3 10162 B12R1.130 C=C(C)CCOC1CCCC1=O 34a_100000764851_100000709159 [0,0,0,1,0,1|0,0,2]=4 10163 B12R1.130 C=C(C)CCOC1CCCC1=O 34a_200000719330_100000730704 [0,0,0,1,0,1|0,0,2]=4 10164 B12R1.130 CC(=CCOC1CCCC1=O)C 34a_100000753907_100000709159 [0,0,0,1,0,1|0,0,2]=4 10165 B12R1.130 CC(=CCOC1CCCC1=O)C 34a_200000719330_100000761012 [0,0,0,1,0,1|0,0,2]=4 10166 B12R1.130 CC(=O)CCOC1CCCC1=O 34a_100000759926_100000709159 [0,0,0,1,0,1|1,0,1]=4 10167 B12R1.130 CC(=O)CCOC1CCCC1=O 7a_100000759926_100000211823 [0,0,0,1,0,1|1,0,1]=4 10168 B12R1.130 CC(Br)CCOC1CCCC1=O 34a_100009893172_100000709159 [0,0,0,1,0,1|1,0,0]=3 10169 B12R1.130 CC(Br)CCOC1CCOC1=O 34a_100009893172_100000211211 [0,0,0,1,0,1|2,0,0]=4 10170 B12R1.130 CC(C)CCNC1CCNC1=O 2230a_100016995588_100000210312 [0,0,0,1,0,1|2,0,0]=4 10171 B12R1.130 CC(C)CCNC1CCNC1=O 34a_100016995588_100000210312 [0,0,0,1,0,1|2,0,0]=4 10172 B12R1.130 CC(C)CCOC1CCCC1=O 34a_100000210254_100000709159 [0,0,0,1,0,1|0,0,0]=2 10173 B12R1.130 CC(C)CCOC1CCCC1=O 34a_200000719330_100000210312 [0,0,0,1,0,1|0,0,0]=2 10174 B12R1.130 CC(C)CCOC1CCCC1=O 7a_100000210254_100000211823 [0,0,0,1,0,1|0,0,0]=2 10175 B12R1.130 CC(C)CCOC1CCCC1C 34a_100011216460_100000210312 [0,0,0,1,0,1|1,0,1]=4 10176 B12R1.130 CC(C)CCOC1CCCC1C 7a_100011216460_100000210626 [0,0,0,1,0,1|1,0,1]=4 10177 B12R1.130 CC(C)CCOC1CCOC1=O 34a_100000210254_100000211211 [0,0,0,1,0,1|1,0,0]=3 10178 B12R1.130 CC(C)CCOC1CCOC1=O 7a_100000210254_100000211211 [0,0,0,1,0,1|1,0,0]=3 10179 B12R1.130 CC(C)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210312 [0,0,0,1,0,1|1,0,1]=4 10180 B12R1.130 CC(C)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210312 [0,0,0,1,0,1|1,0,1]=4 10181 B12R1.130 CC(C)CCO[C@H]1CCNC1=O 34a_100000688343_100000210312 [0,0,0,1,0,1|1,0,0]=3 10182 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000210312_100000211823 [0,0,0,1,0,1|0,1,0]=3 10183 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000211823_100000210312 [0,0,0,1,0,1|0,1,0]=3 10184 B12R1.130 CC(C)CCSC1CCOC1=O 62a_100000210312_100000211211 [0,0,0,1,0,1|1,1,0]=4 10185 B12R1.130 CC(C)CCSC1CCOC1=O 62a_100000211211_100000210312 [0,0,0,1,0,1|1,1,0]=4 10186 B12R1.130 CC(C)COCC1=CCCC1=O 34a_100000087531_100000210624 [0,0,0,1,0,1|1,0,1]=4 10187 B12R1.130 CC(C)COCC1CCNC1=O 34a_100000133458_100000210624 [0,0,0,1,0,1|2,0,0]=4 10188 B12R1.130 CC(C)CSCN1CCCC1=O 62a_100000026320_100000210760 [0,0,0,1,0,1|1,0,0]=3 10189 B12R1.130 CC(C)CSCN1CCCC1=O 62a_100000210624_100000026320 [0,0,0,1,0,1|1,0,0]=3 10190 B12R1.130 CC(C)NCCN1CCCC1=O 2230a_100011200922_100000210206 [0,0,0,1,0,1|1,0,0]=3 10191 B12R1.130 CC(C)NCCN1CCCC1=O 2230a_100138425928_100000739059 [0,0,0,1,0,1|1,0,0]=3 10192 B12R1.130 CC(C)NCCN1CCCC1=O 34a_100138425928_100000739059 [0,0,0,1,0,1|1,0,0]=3 10193 B12R1.130 CC(C)NCCN1CCNC1=O 2230a_100011207550_100000210206 [0,0,0,1,0,1|2,0,0]=4 10194 B12R1.130 CC(C)NCCN1CCNC1=O 2230a_100138425928_100000090651 [0,0,0,1,0,1|2,0,0]=4 10195 B12R1.130 CC(C)OCCN1CCCC1=O 34a_100000211209_100000210206 [0,0,0,1,0,1|1,0,0]=3 10196 B12R1.130 CC(C)OCCN1CCCC1=O 34a_100000212225_100000739059 [0,0,0,1,0,1|1,0,0]=3 10197 B12R1.130 CC(C)OCCN1CCCC1=O 7a_100000211209_100000210206 [0,0,0,1,0,1|1,0,0]=3 10198 B12R1.130 CC(C)OCCN1CCNC1=O 34a_100000216532_100000210206 [0,0,0,1,0,1|2,0,0]=4 10199 B12R1.130 CC(C)OCOC1CCCC1=O 34a_200000719330_100000709892 [0,0,0,1,0,1|1,0,0]=3 10200 B12R1.130 CC(C)OCO[C@H]1CCNC1=O 34a_100000688343_100000709892 [0,0,0,1,0,1|2,0,0]=4 10201 B12R1.130 CC(C)OCSC1CCCC1=O 62a_100000211823_100000709892 [0,0,0,1,0,1|1,1,0]=4 10202 B12R1.130 CC(C)OCSC1CCCC1=O 62a_100000709892_100000211823 [0,0,0,1,0,1|1,1,0]=4 10203 B12R1.130 CC(C)SCCN1CCCC1=O 62a_100000210206_100000739059 [0,0,0,1,0,1|1,0,0]=3 10204 B12R1.130 CC(C)SCCN1CCCC1=O 62a_100000739059_100000210206 [0,0,0,1,0,1|1,0,0]=3 10205 B12R1.130 CC(C)SCCN1CCNC1=O 62a_100000090651_100000210206 [0,0,0,1,0,1|2,0,0]=4 10206 B12R1.130 CC(C)SCCN1CCNC1=O 62a_100000210206_100000090651 [0,0,0,1,0,1|2,0,0]=4 10207 B12R1.130 CC(O)CCNC1CCCC1=O 2230a_200000755665_100000211823 [0,0,0,1,0,1|2,0,0]=4 10208 B12R1.130 CC(O)CCOC1CCCC1=O 34a_200000719330_100012276601 [0,0,0,1,0,1|1,0,0]=3 10209 B12R1.130 CC(O)CCO[C@H]1CCNC1=O 34a_100000688343_100012276601 [0,0,0,1,0,1|2,0,0]=4 10210 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100000211823_100012276601 [0,0,0,1,0,1|1,1,0]=4 10211 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100012276601_100000211823 [0,0,0,1,0,1|1,1,0]=4 10212 B12R1.130 CC(O)CSCN1CCCC1=O 62a_100000026320_100011218427 [0,0,0,1,0,1|2,0,0]=4 10213 B12R1.130 CC(O)CSCN1CCCC1=O 62a_100011218427_100000026320 [0,0,0,1,0,1|2,0,0]=4 10214 B12R1.130 CN(C)CCSC1CCCC1=O 62a_100000211823_100000755713 [0,0,0,1,0,1|1,1,0]=4 10215 B12R1.130 C[C@@H](N)CCOC1CCCC1=O 34a_100000706166_100000709159 [0,0,0,1,0,1|1,0,0]=3 10216 B12R1.130 C[C@@H](N)CCOC1CCOC1=O 34a_100000706166_100000211211 [0,0,0,1,0,1|2,0,0]=4 10217 B12R1.130 C[C@@H](O)CSCN1CCCC1=O 62a_100000026320_100009817552 [0,0,0,1,0,1|2,0,0]=4 10218 B12R1.130 C[C@@H](O)CSCN1CCCC1=O 62a_100009817552_100000026320 [0,0,0,1,0,1|2,0,0]=4 10219 B12R1.130 O=C1CCCC1OCCC(F)F 34a_100103093639_100000709159 [0,0,0,1,0,1|2,0,0]=4 10220 B12R1.182 CCCc1nc(no1)CC(C)C 270196a_100000210173_100000211992 [0,0,0,1,0,1|1,0,1]=4 10221 B12R1.182 CCCc1noc(n1)CC(C)C 270196a_100011193412_100000210554 [0,0,0,1,0,1|1,0,1]=4 10222 B12R1.226 CC(C)CCN1CCNC(=O)C1 2230a_100000184651_100000210312 [0,0,0,1,0,1|2,0,0]=4 10223 B12R1.226 CC(C)CCN1CCOC(=O)C1 2230a_100000131268_100000210312 [0,0,0,1,0,1|2,0,0]=4 10224 B12R1.226 CC(C)CNC1CCNC(=O)C1 2230a_100016994916_100000210760 [0,0,0,1,0,1|2,0,0]=4 10225 B12R1.226 CC(C)CNC1CCNC(=O)C1 34a_100016994916_100000210624 [0,0,0,1,0,1|2,0,0]=4 10226 B12R1.226 CC(C)COC1CCCC(=O)C1 34a_100012613340_100000210624 [0,0,0,1,0,1|1,0,0]=3 10227 B12R1.226 CC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210624 [0,0,0,1,0,1|2,0,0]=4 10228 B12R1.226 CC(C)OCC1CCCC(=O)N1 34a_200000102386_100000210206 [0,0,0,1,0,1|1,0,0]=3 10229 B12R1.226 CC(C)OCC1CCNC(=O)C1 34a_100009886756_100000210206 [0,0,0,1,0,1|2,0,0]=4 10230 B12R1.226 CC(C)OCC1COCC(=O)N1 34a_200000101122_100000210206 [0,0,0,1,0,1|2,0,0]=4 10231 B12R1.226 CC(O)COC1CCCC(=O)C1 34a_100012613340_100011218427 [0,0,0,1,0,1|2,0,0]=4 10232 B12R1.226 CC1=CC(CCC1)OCC(C)C 34a_100011218613_100000210624 [0,0,0,1,0,1|2,0,0]=4 10233 B12R1.226 C[C@@H](O)COC1CCCC(=O)C1 34a_100012613340_100009817552 [0,0,0,1,0,1|2,0,0]=4 10234 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210269_100011214892 [0,0,0,1,0,1|1,0,1]=4 10235 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210774_100000179811 [0,0,0,1,0,1|1,0,1]=4 10236 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210269_100011214892 [0,0,0,1,0,1|1,0,1]=4 10237 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210774_100000179811 [0,0,0,1,0,1|1,0,1]=4 10238 B12R1.255 CC(C)CCCOC1CCCO1 34a_100000085407_100011214892 [0,0,0,1,0,1|0,0,2]=4 10239 B12R1.255 CC(C)CCOCC1=NCCN1 34a_100000210254_100000737910 [0,0,0,1,0,1|2,0,0]=4 10240 B12R1.255 CC(C)CCOCC1=NCCN1 7a_100000210254_100000737910 [0,0,0,1,0,1|2,0,0]=4 10241 B12R1.255 CC(C)CCOCC1CCCC1 34a_100000210254_100000740388 [0,0,0,1,0,1|1,0,1]=4 10242 B12R1.255 CC(C)CCOCC1CCCC1 34a_100000742336_100000210312 [0,0,0,1,0,1|1,0,1]=4 10243 B12R1.255 CC(C)CCOCC1CCCC1 7a_100000210254_100000740388 [0,0,0,1,0,1|1,0,1]=4 10244 B12R1.255 CC(C)CCOCC1CCCC1 7a_100000742336_100000210626 [0,0,0,1,0,1|1,0,1]=4 10245 B12R1.255 CC(C)CCOCC1CCCO1 34a_100000210270_100000210312 [0,0,0,1,0,1|0,0,2]=4 10246 B12R1.255 CC(C)CCOCC1CCCO1 7a_100000210254_100000203698 [0,0,0,1,0,1|0,0,2]=4 10247 B12R1.255 CC(C)CCOCC1CCCO1 7a_100000210270_100000210626 [0,0,0,1,0,1|0,0,2]=4 10248 B12R1.255 CC(C)CCOC[C@H]1CCCN1 34a_100000745186_100000210312 [0,0,0,1,0,1|1,0,1]=4 10249 B12R1.255 CC(C)NCCOC1CCCC1 34a_100000224655_100000179811 [0,0,0,1,0,1|1,0,1]=4 10250 B12R1.255 CC(C)NCCOC1CCCC1 34a_100000741755_100000210206 [0,0,0,1,0,1|1,0,1]=4 10251 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000210269_100000211751 [0,0,0,1,0,1|1,0,1]=4 10252 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000211219_100000179811 [0,0,0,1,0,1|1,0,1]=4 10253 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000738311_100000210206 [0,0,0,1,0,1|1,0,1]=4 10254 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000210269_100000211751 [0,0,0,1,0,1|1,0,1]=4 10255 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000211219_100000179811 [0,0,0,1,0,1|1,0,1]=4 10256 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000738311_100000210206 [0,0,0,1,0,1|1,0,1]=4 10257 B12R1.255 CC(C)OCCOC1CCCO1 34a_100000085407_100000211751 [0,0,0,1,0,1|0,0,2]=4 10258 B12R1.255 CC(C)SCCOC1CCCC1 34a_100000210269_100000730970 [0,0,0,1,0,1|1,0,1]=4 10259 B12R1.255 CC(C)SCCOC1CCCC1 34a_200011212901_100000179811 [0,0,0,1,0,1|1,0,1]=4 10260 B12R1.255 CC(C)SCCOC1CCCC1 7a_100000210269_100000730970 [0,0,0,1,0,1|1,0,1]=4 10261 B12R1.255 CC(C)SCCOC1CCCC1 7a_200011212901_100000179811 [0,0,0,1,0,1|1,0,1]=4 10262 B12R1.255 CC(C)SCCOC1CCCO1 34a_100000085407_100000730970 [0,0,0,1,0,1|0,0,2]=4 10263 B12R1.310 CCCC(=O)COCCC1CC1 7a_100000754188_100000747444 [0,0,0,1,0,1|0,0,0]=2 10264 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000747444_100000764125 [0,0,0,1,0,1|0,1,0]=3 10265 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000764125_100000747444 [0,0,0,1,0,1|0,1,0]=3 10266 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000732470_100000747444 [0,0,0,1,0,1|1,1,0]=4 10267 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000747444_100000732470 [0,0,0,1,0,1|1,1,0]=4 10268 B12R1.310 CCCC(=O)OCNCC1CC1 2230a_100000735609_100000034017 [0,0,0,1,0,1|0,0,0]=2 10269 B12R1.310 CCCC(=O)OCNCC1CC1 34a_100000735609_100000034017 [0,0,0,1,0,1|0,0,0]=2 10270 B12R1.310 CCCC(=O)OCOCC1CC1 34a_100000211283_100000034017 [0,0,0,1,0,1|0,0,0]=2 10271 B12R1.310 CCCC(=O)OCOC[C@@H]1CO1 34a_100000757423_100000034017 [0,0,0,1,0,1|1,0,0]=3 10272 B12R1.310 CCCC(=O)OCSCC1CC1 62a_100000756562_100000034017 [0,0,0,1,0,1|0,0,0]=2 10273 B12R1.310 CCCC(=O)OCSCC1CO1 62a_102125554688_100000034017 [0,0,0,1,0,1|1,0,0]=3 10274 B12R1.310 CCCC(=O)OCSCC1CS1 62a_100000031435_100000034017 [0,0,0,1,0,1|1,0,0]=3 10275 B12R1.310 CCCC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000034017 [0,0,0,1,0,1|1,0,0]=3 10276 B12R1.310 CCCC(C)COCCC1CC1 34a_100000688023_100000694398 [0,0,0,1,0,1|1,0,1]=4 10277 B12R1.310 CCCC(C)COCCC1CC1 34a_100000754188_100011216630 [0,0,0,1,0,1|1,0,1]=4 10278 B12R1.310 CCCC(C)COCCC1CC1 7a_100000688023_100000764125 [0,0,0,1,0,1|1,0,1]=4 10279 B12R1.310 CCCC(C)COCCC1CC1 7a_100000754188_100011216630 [0,0,0,1,0,1|1,0,1]=4 10280 B12R1.310 CCCC(C)OCCNC1CC1 34a_100000738766_100000766640 [0,0,0,1,0,1|1,0,1]=4 10281 B12R1.310 CCC[C@H](N)COCCC1CC1 34a_100000732646_100000694398 [0,0,0,1,0,1|1,0,1]=4 10282 B12R1.310 CCNC(=O)CCNCC1CC1 2230a_100000735609_100000737597 [0,0,0,1,0,1|2,0,0]=4 10283 B12R1.310 CCNC(=O)CCNCC1CC1 269862a_100025743525_100000741477 [0,0,0,1,0,1|2,0,0]=4 10284 B12R1.310 CCNC(=O)CCNCC1CC1 34a_100025743525_100000742324 [0,0,0,1,0,1|2,0,0]=4 10285 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000737597_100000742324 [0,0,0,1,0,1|2,0,0]=4 10286 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000756562_100000737597 [0,0,0,1,0,1|2,0,0]=4 10287 B12R1.310 CCNC(=O)CNCCC1CC1 2230a_100016988866_100000694398 [0,0,0,1,0,1|2,0,0]=4 10288 B12R1.310 CCNC(=O)CNCCC1CC1 34a_100000764129_100000183381 [0,0,0,1,0,1|2,0,0]=4 10289 B12R1.310 CCNC(=O)COCCC1CC1 34a_100000754188_100000183381 [0,0,0,1,0,1|1,0,0]=3 10290 B12R1.310 CCNC(=O)COCCC1CC1 7a_100000754188_100000183381 [0,0,0,1,0,1|1,0,0]=3 10291 B12R1.310 CCNC(=O)COCC[C@@H]1CO1 34a_100009820653_100000183381 [0,0,0,1,0,1|2,0,0]=4 10292 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000183381_100000764125 [0,0,0,1,0,1|1,1,0]=4 10293 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000764125_100000183381 [0,0,0,1,0,1|1,1,0]=4 10294 B12R1.310 CCOC(=O)CCCNC1CC1 34a_100000212008_100009991533 [0,0,0,1,0,1|2,0,0]=4 10295 B12R1.310 CCOC(=O)CCCSC1CC1 62a_100009991533_100000211595 [0,0,0,1,0,1|2,0,0]=4 10296 B12R1.310 CCOC(=O)CCNCC1CC1 2230a_100000735609_100011206558 [0,0,0,1,0,1|2,0,0]=4 10297 B12R1.310 CCOC(=O)CCNCC1CC1 34a_100000735609_100000765890 [0,0,0,1,0,1|2,0,0]=4 10298 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [0,0,0,1,0,1|2,0,0]=4 10299 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000756562_100000765890 [0,0,0,1,0,1|2,0,0]=4 10300 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000765890_100000742324 [0,0,0,1,0,1|2,0,0]=4 10301 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [0,0,0,1,0,1|2,0,0]=4 10302 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [0,0,0,1,0,1|1,0,0]=3 10303 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [0,0,0,1,0,1|1,0,0]=3 10304 B12R1.310 CCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000188475 [0,0,0,1,0,1|2,0,0]=4 10305 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [0,0,0,1,0,1|1,1,0]=4 10306 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [0,0,0,1,0,1|1,1,0]=4 10307 B12R1.310 CCOC(=O)NCCOC1CC1 34a_100000158857_100000211595 [0,0,0,1,0,1|2,0,0]=4 10308 B12R1.310 CCOC(=O)OCSCC1CC1 62a_100000756562_100000075025 [0,0,0,1,0,1|1,0,0]=3 10309 B12R1.310 CCOC(=O)OCSCC1CO1 62a_102125554688_100000075025 [0,0,0,1,0,1|2,0,0]=4 10310 B12R1.310 CCOC(=O)OCSCC1CS1 62a_100000031435_100000075025 [0,0,0,1,0,1|2,0,0]=4 10311 B12R1.310 CCOC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000075025 [0,0,0,1,0,1|2,0,0]=4 10312 B12R1.310 O=C(COCCC1CC1)NCO 34a_100000754188_100000185155 [0,0,0,1,0,1|2,0,0]=4 10313 B12R1.310 O=C(COCCC1CC1)NCO 7a_100000754188_100000185155 [0,0,0,1,0,1|2,0,0]=4 10314 B12R1.317 CC1(CCCN1C(=O)CCO)C 240690a_100000761399_100011216618 [0,0,0,1,0,1|2,0,0]=4 10315 B12R1.317 CC1(COCN1C(=O)CCO)C 240690a_100000043020_100011216618 [0,0,0,1,0,1|2,0,0]=4 10316 B12R1.317 CC1(SCCN1C(=O)CCO)C 240690a_100011217261_100011216618 [0,0,0,1,0,1|2,0,0]=4 10317 B12R1.317 CCCC(=O)N1CCCC1(C)C 11a_100000761399_100000211992 [0,0,0,1,0,1|1,0,0]=3 10318 B12R1.317 CCCC(=O)N1CCCC1(C)C 1626a_100000761399_100000211992 [0,0,0,1,0,1|1,0,0]=3 10319 B12R1.317 CCCC(=O)N1CCCC1(C)C 240690a_100000761399_100000211992 [0,0,0,1,0,1|1,0,0]=3 10320 B12R1.317 CCCC(=O)N1CCCC1(C)C 527a_100000761399_100000211992 [0,0,0,1,0,1|1,0,0]=3 10321 B12R1.317 CCCC(=O)N1CCSC1(C)C 11a_100011217261_100000211992 [0,0,0,1,0,1|1,0,0]=3 10322 B12R1.317 CCCC(=O)N1CCSC1(C)C 1626a_100011217261_100000211992 [0,0,0,1,0,1|1,0,0]=3 10323 B12R1.317 CCCC(=O)N1CCSC1(C)C 240690a_100011217261_100000211992 [0,0,0,1,0,1|1,0,0]=3 10324 B12R1.317 CCCC(=O)N1CCSC1(C)C 527a_100011217261_100000211992 [0,0,0,1,0,1|1,0,0]=3 10325 B12R1.317 CCCC(=O)N1COCC1(C)C 1626a_100000043020_100000211992 [0,0,0,1,0,1|1,0,0]=3 10326 B12R1.317 CCCC(=O)N1COCC1(C)C 240690a_100000043020_100000211992 [0,0,0,1,0,1|1,0,0]=3 10327 B12R1.317 CCCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210303 [0,0,0,1,0,1|2,0,0]=4 10328 B12R1.317 CCNC(=O)N1CCCC1(C)C 2708a_100015525214_100000761399 [0,0,0,1,0,1|2,0,0]=4 10329 B12R1.317 CCNC(=O)N1CCCC1(C)C 273464a_100015525214_100000761399 [0,0,0,1,0,1|2,0,0]=4 10330 B12R1.317 CCNC(=O)N1CCSC1(C)C 2708a_100015525214_100011217261 [0,0,0,1,0,1|2,0,0]=4 10331 B12R1.317 CCNC(=O)N1CCSC1(C)C 273464a_100015525214_100011217261 [0,0,0,1,0,1|2,0,0]=4 10332 B12R1.317 CCNC(=O)N1COCC1(C)C 273464a_100015525214_100000043020 [0,0,0,1,0,1|2,0,0]=4 10333 B12R1.317 COCC(=O)N1CCCC1(C)C 11a_100000761399_100000210968 [0,0,0,1,0,1|2,0,0]=4 10334 B12R1.317 COCC(=O)N1CCCC1(C)C 1626a_100000761399_100000210968 [0,0,0,1,0,1|2,0,0]=4 10335 B12R1.317 COCC(=O)N1CCCC1(C)C 240690a_100000761399_100000210968 [0,0,0,1,0,1|2,0,0]=4 10336 B12R1.317 COCC(=O)N1CCCC1(C)C 527a_100000761399_100000210968 [0,0,0,1,0,1|2,0,0]=4 10337 B12R1.317 COCC(=O)N1CCSC1(C)C 11a_100011217261_100000210968 [0,0,0,1,0,1|2,0,0]=4 10338 B12R1.317 COCC(=O)N1CCSC1(C)C 1626a_100011217261_100000210968 [0,0,0,1,0,1|2,0,0]=4 10339 B12R1.317 COCC(=O)N1CCSC1(C)C 240690a_100011217261_100000210968 [0,0,0,1,0,1|2,0,0]=4 10340 B12R1.317 COCC(=O)N1CCSC1(C)C 527a_100011217261_100000210968 [0,0,0,1,0,1|2,0,0]=4 10341 B12R1.317 COCC(=O)N1COCC1(C)C 1626a_100000043020_100000210968 [0,0,0,1,0,1|2,0,0]=4 10342 B12R1.317 COCC(=O)N1COCC1(C)C 240690a_100000043020_100000210968 [0,0,0,1,0,1|2,0,0]=4 10343 B12R1.317 CSCC(=O)N1CCCC1(C)C 11a_100000761399_100000184570 [0,0,0,1,0,1|2,0,0]=4 10344 B12R1.317 CSCC(=O)N1CCCC1(C)C 1626a_100000761399_100000184570 [0,0,0,1,0,1|2,0,0]=4 10345 B12R1.317 CSCC(=O)N1CCCC1(C)C 240690a_100000761399_100000184570 [0,0,0,1,0,1|2,0,0]=4 10346 B12R1.317 CSCC(=O)N1CCCC1(C)C 527a_100000761399_100000184570 [0,0,0,1,0,1|2,0,0]=4 10347 B12R1.317 CSCC(=O)N1CCSC1(C)C 11a_100011217261_100000184570 [0,0,0,1,0,1|2,0,0]=4 10348 B12R1.317 CSCC(=O)N1CCSC1(C)C 1626a_100011217261_100000184570 [0,0,0,1,0,1|2,0,0]=4 10349 B12R1.317 CSCC(=O)N1CCSC1(C)C 240690a_100011217261_100000184570 [0,0,0,1,0,1|2,0,0]=4 10350 B12R1.317 CSCC(=O)N1CCSC1(C)C 527a_100011217261_100000184570 [0,0,0,1,0,1|2,0,0]=4 10351 B12R1.317 CSCC(=O)N1COCC1(C)C 1626a_100000043020_100000184570 [0,0,0,1,0,1|2,0,0]=4 10352 B12R1.317 CSCC(=O)N1COCC1(C)C 240690a_100000043020_100000184570 [0,0,0,1,0,1|2,0,0]=4 10353 B12R1.467 CCCC(=O)CNC1CC(C1)F 2230a_100016993743_100000747444 [0,0,0,1,0,1|2,0,0]=4 10354 B12R1.467 CCCC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000747444 [0,0,0,1,0,1|2,0,0]=4 10355 B12R1.467 CCCC(=O)NCC1CC(C1)O 11a_100016992100_100000211992 [0,0,0,1,0,1|2,0,0]=4 10356 B12R1.467 CCCC(=O)NCC1CC(C1)O 240690a_100016992100_100000211992 [0,0,0,1,0,1|2,0,0]=4 10357 B12R1.467 CCCC(=O)NCC1CN(C1)C 240690a_100000723568_100000211992 [0,0,0,1,0,1|2,0,0]=4 10358 B12R1.467 CCCC(=O)OCN1CC(C1)C 2230a_100000702820_100000034017 [0,0,0,1,0,1|0,0,0]=2 10359 B12R1.467 CCCC(=O)OCN1CC(C1)C 269982a_100000702820_100000034017 [0,0,0,1,0,1|0,0,0]=2 10360 B12R1.467 CCCC(=O)OCN1CC(C1)C 34a_100000702820_100000034017 [0,0,0,1,0,1|0,0,0]=2 10361 B12R1.467 CCCC(=O)OCN1CC(C1)F 2230a_100000690557_100000034017 [0,0,0,1,0,1|1,0,0]=3 10362 B12R1.467 CCCC(=O)OCN1CC(C1)F 269982a_100000690557_100000034017 [0,0,0,1,0,1|1,0,0]=3 10363 B12R1.467 CCCC(=O)OCN1CC(C1)F 34a_100000690557_100000034017 [0,0,0,1,0,1|1,0,0]=3 10364 B12R1.467 CCCC(=O)OCN1CC(C1)O 269982a_100000749847_100000034017 [0,0,0,1,0,1|1,0,0]=3 10365 B12R1.467 CCNC(=O)CCN1CC(C1)C 2230a_100000702820_100000737597 [0,0,0,1,0,1|2,0,0]=4 10366 B12R1.467 CCNC(=O)CCN1CC(C1)C 269982a_100000702820_100000737597 [0,0,0,1,0,1|2,0,0]=4 10367 B12R1.467 CCOC(=O)CCN1CC(C1)C 2230a_100000702820_100011206558 [0,0,0,1,0,1|2,0,0]=4 10368 B12R1.467 CCOC(=O)CCN1CC(C1)C 269982a_100000702820_100011206558 [0,0,0,1,0,1|2,0,0]=4 10369 B12R1.467 CCOC(=O)CCN1CC(C1)C 34a_100000702820_100000765890 [0,0,0,1,0,1|2,0,0]=4 10370 B12R1.1020 CC(C)CN1CCNC(=O)CC1 2230a_100000698595_100000210760 [0,0,0,1,0,1|2,0,0]=4 10371 B12R1.1020 CC(C)CN1CCNC(=O)CC1 269982a_100000698595_100000210624 [0,0,0,1,0,1|2,0,0]=4 10372 B12R1.1020 CC(C)CN1CCNC(=O)CC1 270004a_100000698595_100000210432 [0,0,0,1,0,1|2,0,0]=4 10373 B12R1.1356 C=C(C)CCOCC(=O)C1CC1 34a_100000686663_100000730704 [0,0,0,1,0,1|0,0,2]=4 10374 B12R1.1356 C=C(C)CCOCC(=O)C1CC1 34a_100000764851_100000746382 [0,0,0,1,0,1|0,0,2]=4 10375 B12R1.1356 C=C(C)COCOC(=O)C1CC1 34a_100000210245_100000140896 [0,0,0,1,0,1|0,0,2]=4 10376 B12R1.1356 C=C(C)CSCOC(=O)C1CC1 62a_100000140896_100000211660 [0,0,0,1,0,1|0,0,2]=4 10377 B12R1.1356 C=C(C)CSCOC(=O)C1CC1 62a_100000748629_100000140896 [0,0,0,1,0,1|0,0,2]=4 10378 B12R1.1356 CC(=CCOCC(=O)C1CC1)C 34a_100000686663_100000761012 [0,0,0,1,0,1|0,0,2]=4 10379 B12R1.1356 CC(=CCOCC(=O)C1CC1)C 34a_100000753907_100000746382 [0,0,0,1,0,1|0,0,2]=4 10380 B12R1.1356 CC(=O)CCOCC(=O)C1CC1 34a_100000759926_100000746382 [0,0,0,1,0,1|1,0,1]=4 10381 B12R1.1356 CC(=O)CCOCC(=O)C1CC1 7a_100000759926_100000746382 [0,0,0,1,0,1|1,0,1]=4 10382 B12R1.1356 CC(=O)COCOC(=O)C1CC1 34a_100000211253_100000140896 [0,0,0,1,0,1|1,0,1]=4 10383 B12R1.1356 CC(Br)CCOCC(=O)C1CC1 34a_100009893172_100000746382 [0,0,0,1,0,1|1,0,0]=3 10384 B12R1.1356 CC(Br)COCOC(=O)C1CC1 34a_100012180447_100000140896 [0,0,0,1,0,1|1,0,0]=3 10385 B12R1.1356 CC(C)CC=NNC(=O)C1CC1 4a_100000183419_100000185833 [0,0,0,1,0,1|1,0,1]=4 10386 B12R1.1356 CC(C)CCCCC(=O)C1CC1 1458a_100000210395_100011216152 [0,0,0,1,0,1|1,0,0]=3 10387 B12R1.1356 CC(C)CCCCC(=O)C1CO1 1458a_100000701028_100011216152 [0,0,0,1,0,1|2,0,0]=4 10388 B12R1.1356 CC(C)CCCNC(=O)C1CC1 11a_200000737386_100000210395 [0,0,0,1,0,1|1,0,0]=3 10389 B12R1.1356 CC(C)CCCNC(=O)C1CC1 1626a_200000737386_100000210395 [0,0,0,1,0,1|1,0,0]=3 10390 B12R1.1356 CC(C)CCCNC(=O)C1CC1 240690a_200000737386_100000210395 [0,0,0,1,0,1|1,0,0]=3 10391 B12R1.1356 CC(C)CCCNC(=O)C1CC1 527a_200000737386_100000210395 [0,0,0,1,0,1|1,0,0]=3 10392 B12R1.1356 CC(C)CCCNC(=O)C1CO1 11a_200000737386_100000701028 [0,0,0,1,0,1|2,0,0]=4 10393 B12R1.1356 CC(C)CCCNC(=O)C1CO1 1626a_200000737386_100000701028 [0,0,0,1,0,1|2,0,0]=4 10394 B12R1.1356 CC(C)CCCNC(=O)C1CO1 240690a_200000737386_100000701028 [0,0,0,1,0,1|2,0,0]=4 10395 B12R1.1356 CC(C)CCCNC(=O)C1CO1 527a_200000737386_100000701028 [0,0,0,1,0,1|2,0,0]=4 10396 B12R1.1356 CC(C)CCCOC(C)C1CC1 34a_100000744524_100011214892 [0,0,0,1,0,1|1,0,1]=4 10397 B12R1.1356 CC(C)CCCOC(C)C1CC1 7a_100000744524_100011214892 [0,0,0,1,0,1|1,0,1]=4 10398 B12R1.1356 CC(C)CCOCC(=O)C1CC1 34a_100000210254_100000746382 [0,0,0,1,0,1|0,0,0]=2 10399 B12R1.1356 CC(C)CCOCC(=O)C1CC1 34a_100000686663_100000210312 [0,0,0,1,0,1|0,0,0]=2 10400 B12R1.1356 CC(C)CCOCC(=O)C1CC1 7a_100000210254_100000746382 [0,0,0,1,0,1|0,0,0]=2 10401 B12R1.1356 CC(C)CCOC[C@H](N)C1CC1 34a_100020623730_100000210312 [0,0,0,1,0,1|1,0,1]=4 10402 B12R1.1356 CC(C)CCSCC(=O)C1CC1 62a_100000210312_100000746382 [0,0,0,1,0,1|0,1,0]=3 10403 B12R1.1356 CC(C)CCSCC(=O)C1CC1 62a_100000746382_100000210312 [0,0,0,1,0,1|0,1,0]=3 10404 B12R1.1356 CC(C)CNCOC(=O)C1CC1 2230a_100000210953_100000140896 [0,0,0,1,0,1|0,0,0]=2 10405 B12R1.1356 CC(C)CNCOC(=O)C1CC1 34a_100000210953_100000140896 [0,0,0,1,0,1|0,0,0]=2 10406 B12R1.1356 CC(C)COCOC(=O)C1CC1 34a_100000210257_100000140896 [0,0,0,1,0,1|0,0,0]=2 10407 B12R1.1356 CC(C)CSCOC(=O)C1CC1 62a_100000140896_100000210760 [0,0,0,1,0,1|0,0,0]=2 10408 B12R1.1356 CC(C)CSCOC(=O)C1CC1 62a_100000210624_100000140896 [0,0,0,1,0,1|0,0,0]=2 10409 B12R1.1356 CC(C)OCCNC(=O)C1CC1 11a_100000701111_100000210395 [0,0,0,1,0,1|1,0,0]=3 10410 B12R1.1356 CC(C)OCCNC(=O)C1CC1 1626a_100000701111_100000210395 [0,0,0,1,0,1|1,0,0]=3 10411 B12R1.1356 CC(C)OCCNC(=O)C1CC1 240690a_100000701111_100000210395 [0,0,0,1,0,1|1,0,0]=3 10412 B12R1.1356 CC(C)OCCNC(=O)C1CC1 527a_100000701111_100000210395 [0,0,0,1,0,1|1,0,0]=3 10413 B12R1.1356 CC(C)OCCNC(=O)C1CO1 11a_100000701111_100000701028 [0,0,0,1,0,1|2,0,0]=4 10414 B12R1.1356 CC(C)OCCNC(=O)C1CO1 1626a_100000701111_100000701028 [0,0,0,1,0,1|2,0,0]=4 10415 B12R1.1356 CC(C)OCCNC(=O)C1CO1 240690a_100000701111_100000701028 [0,0,0,1,0,1|2,0,0]=4 10416 B12R1.1356 CC(C)OCCNC(=O)C1CO1 527a_100000701111_100000701028 [0,0,0,1,0,1|2,0,0]=4 10417 B12R1.1356 CC(C)OCCOC(C)C1CC1 34a_100000744524_100000211751 [0,0,0,1,0,1|1,0,1]=4 10418 B12R1.1356 CC(C)OCCOC(C)C1CC1 7a_100000744524_100000211751 [0,0,0,1,0,1|1,0,1]=4 10419 B12R1.1356 CC(C)OCOCC(=O)C1CC1 34a_100000686663_100000709892 [0,0,0,1,0,1|1,0,0]=3 10420 B12R1.1356 CC(C)OCSCC(=O)C1CC1 62a_100000709892_100000746382 [0,0,0,1,0,1|1,1,0]=4 10421 B12R1.1356 CC(C)OCSCC(=O)C1CC1 62a_100000746382_100000709892 [0,0,0,1,0,1|1,1,0]=4 10422 B12R1.1356 CC(C)SCCNC(=O)C1CC1 11a_100000731138_100000210395 [0,0,0,1,0,1|1,0,0]=3 10423 B12R1.1356 CC(C)SCCNC(=O)C1CC1 1626a_100000731138_100000210395 [0,0,0,1,0,1|1,0,0]=3 10424 B12R1.1356 CC(C)SCCNC(=O)C1CC1 240690a_100000731138_100000210395 [0,0,0,1,0,1|1,0,0]=3 10425 B12R1.1356 CC(C)SCCNC(=O)C1CC1 527a_100000731138_100000210395 [0,0,0,1,0,1|1,0,0]=3 10426 B12R1.1356 CC(C)SCCNC(=O)C1CO1 11a_100000731138_100000701028 [0,0,0,1,0,1|2,0,0]=4 10427 B12R1.1356 CC(C)SCCNC(=O)C1CO1 1626a_100000731138_100000701028 [0,0,0,1,0,1|2,0,0]=4 10428 B12R1.1356 CC(C)SCCNC(=O)C1CO1 240690a_100000731138_100000701028 [0,0,0,1,0,1|2,0,0]=4 10429 B12R1.1356 CC(C)SCCNC(=O)C1CO1 527a_100000731138_100000701028 [0,0,0,1,0,1|2,0,0]=4 10430 B12R1.1356 CC(C)SCCOC(C)C1CC1 34a_100000744524_100000730970 [0,0,0,1,0,1|1,0,1]=4 10431 B12R1.1356 CC(C)SCCOC(C)C1CC1 7a_100000744524_100000730970 [0,0,0,1,0,1|1,0,1]=4 10432 B12R1.1356 CC(F)COCOC(=O)C1CC1 34a_100015925927_100000140896 [0,0,0,1,0,1|1,0,0]=3 10433 B12R1.1356 CC(O)CCNCC(=O)C1CC1 2230a_200000755665_100000746382 [0,0,0,1,0,1|2,0,0]=4 10434 B12R1.1356 CC(O)CCOCC(=O)C1CC1 34a_100000686663_100012276601 [0,0,0,1,0,1|1,0,0]=3 10435 B12R1.1356 CC(O)CCSCC(=O)C1CC1 62a_100000746382_100012276601 [0,0,0,1,0,1|1,1,0]=4 10436 B12R1.1356 CC(O)CCSCC(=O)C1CC1 62a_100012276601_100000746382 [0,0,0,1,0,1|1,1,0]=4 10437 B12R1.1356 CC(O)CNCOC(=O)C1CC1 2230a_100000210904_100000140896 [0,0,0,1,0,1|1,0,0]=3 10438 B12R1.1356 CC(O)CNCOC(=O)C1CC1 34a_100000210904_100000140896 [0,0,0,1,0,1|1,0,0]=3 10439 B12R1.1356 CC(O)CSCOC(=O)C1CC1 62a_100000140896_100011218427 [0,0,0,1,0,1|1,0,0]=3 10440 B12R1.1356 CC(O)CSCOC(=O)C1CC1 62a_100011218427_100000140896 [0,0,0,1,0,1|1,0,0]=3 10441 B12R1.1356 CN(C)CCCNC(=O)C1CC1 240690a_102531767803_100000210395 [0,0,0,1,0,1|2,0,0]=4 10442 B12R1.1356 CN(C)CCCNC(=O)C1CC1 527a_102531767803_100000210395 [0,0,0,1,0,1|2,0,0]=4 10443 B12R1.1356 CN(C)CCNNC(=O)C1CC1 22a_100000738145_100000210395 [0,0,0,1,0,1|2,0,0]=4 10444 B12R1.1356 CN(C)CCSCC(=O)C1CC1 62a_100000746382_100000755713 [0,0,0,1,0,1|1,1,0]=4 10445 B12R1.1356 C[C@@H](Cl)COCOC(=O)C1CC1 34a_100016084084_100000140896 [0,0,0,1,0,1|1,0,0]=3 10446 B12R1.1356 C[C@@H](N)CCOCC(=O)C1CC1 34a_100000706166_100000746382 [0,0,0,1,0,1|1,0,0]=3 10447 B12R1.1356 C[C@@H](N)COCOC(=O)C1CC1 34a_100000737577_100000140896 [0,0,0,1,0,1|1,0,0]=3 10448 B12R1.1356 C[C@@H](O)CSCOC(=O)C1CC1 62a_100000140896_100009817552 [0,0,0,1,0,1|1,0,0]=3 10449 B12R1.1356 C[C@@H](O)CSCOC(=O)C1CC1 62a_100009817552_100000140896 [0,0,0,1,0,1|1,0,0]=3 10450 B12R1.1356 O=C(COCCC(F)F)C1CC1 34a_100103093639_100000746382 [0,0,0,1,0,1|2,0,0]=4 10451 B12R1.1356 O=C(OCNCC(F)F)C1CC1 34a_100000765723_100000140896 [0,0,0,1,0,1|2,0,0]=4 10452 B12R1.1356 O=C(OCOCC(F)F)C1CC1 34a_100000743014_100000140896 [0,0,0,1,0,1|2,0,0]=4 10453 B12R1.1356 O=C(OCSCC(F)F)C1CC1 62a_100000140896_100011934356 [0,0,0,1,0,1|2,0,0]=4 10454 B12R1.1356 O=C(OCSCC(F)F)C1CC1 62a_100011934356_100000140896 [0,0,0,1,0,1|2,0,0]=4 10455 B12R1.1505 CC1CC1COCC(=O)NCO 34a_100000744939_100000185155 [0,0,0,1,0,1|2,0,0]=4 10456 B12R1.1505 CC1CC1COCC(=O)NCO 7a_100000744939_100000185155 [0,0,0,1,0,1|2,0,0]=4 10457 B12R1.1505 CCCC(=O)COCC1CC1C 7a_100000744939_100000747444 [0,0,0,1,0,1|0,0,0]=2 10458 B12R1.1505 CCCC(=O)OCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000034017 [0,0,0,1,0,1|1,0,0]=3 10459 B12R1.1505 CCCC(=O)OCN[C@@H]1C[C@H]1F 2230a_100025746932_100000034017 [0,0,0,1,0,1|1,0,0]=3 10460 B12R1.1505 CCCC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100000034017 [0,0,0,1,0,1|1,0,0]=3 10461 B12R1.1505 CCCC(C)COCC1CC1C 34a_100000744939_100011216630 [0,0,0,1,0,1|1,0,1]=4 10462 B12R1.1505 CCCC(C)COCC1CC1C 7a_100000744939_100011216630 [0,0,0,1,0,1|1,0,1]=4 10463 B12R1.1505 CCNC(=O)COCC1CC1C 34a_100000744939_100000183381 [0,0,0,1,0,1|1,0,0]=3 10464 B12R1.1505 CCNC(=O)COCC1CC1C 7a_100000744939_100000183381 [0,0,0,1,0,1|1,0,0]=3 10465 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [0,0,0,1,0,1|1,0,0]=3 10466 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [0,0,0,1,0,1|1,0,0]=3 10467 B12R1.1572 CCCC(C)OCC1CC1(C)C 34a_100000728257_100000766640 [0,0,0,1,0,1|1,0,1]=4 10468 B12R1.1572 CCCC(C)OCC1CC1(C)C 7a_100000728257_100000766640 [0,0,0,1,0,1|1,0,1]=4 10469 B12R1.1572 CCCC(C)OCC1OC1(C)C 34a_200010283642_100000766640 [0,0,0,1,0,1|1,0,1]=4 10470 B12R1.1572 CCCC(C)OCC1OC1(C)C 7a_200010283642_100000766640 [0,0,0,1,0,1|1,0,1]=4 10471 B12R1.2795 CC(C)CCCOC1(CCC1)C 34a_100000759064_100011214892 [0,0,0,1,0,1|1,0,1]=4 10472 B12R1.2795 CC(C)CCCOC1(CCC1)C 7a_100000759064_100011214892 [0,0,0,1,0,1|1,0,1]=4 10473 B12R1.2795 CC(C)CCOCC1(CCC1)C 34a_100000210254_100000726658 [0,0,0,1,0,1|1,0,1]=4 10474 B12R1.2795 CC(C)CCOCC1(CCC1)C 7a_100000210254_100000726658 [0,0,0,1,0,1|1,0,1]=4 10475 B12R1.2795 CC(C)OCCOC1(CCC1)C 34a_100000759064_100000211751 [0,0,0,1,0,1|1,0,1]=4 10476 B12R1.2795 CC(C)OCCOC1(CCC1)C 7a_100000759064_100000211751 [0,0,0,1,0,1|1,0,1]=4 10477 B12R1.2795 CC(C)SCCOC1(CCC1)C 34a_100000759064_100000730970 [0,0,0,1,0,1|1,0,1]=4 10478 B12R1.2795 CC(C)SCCOC1(CCC1)C 7a_100000759064_100000730970 [0,0,0,1,0,1|1,0,1]=4 10479 B12R1.144 CC(C)CC(=O)C1CCCC1=O 1458a_100000210554_100000211823 [0,1,0,1,0,0|1,0,1]=4 10480 B12R1.144 CC(C)CN(C)C1CCCC1=O 2230a_100000747067_100000211823 [0,1,0,1,0,0|2,0,0]=4 10481 B12R1.144 CC(C)CN(C)C1CCCC1=O 269982a_100000747067_100000211823 [0,1,0,1,0,0|2,0,0]=4 10482 B12R1.260 CC(C)CC(C)OC1CCCC1 34a_100000210269_100000731052 [0,1,0,1,0,0|1,0,1]=4 10483 B12R1.260 CC(C)CC(C)OC1CCCC1 34a_100000211805_100000179811 [0,1,0,1,0,0|1,0,1]=4 10484 B12R1.260 CC(C)CC(C)OC1CCCC1 7a_100000210269_100000731052 [0,1,0,1,0,0|1,0,1]=4 10485 B12R1.260 CC(C)CC(C)OC1CCCC1 7a_100000211805_100000179811 [0,1,0,1,0,0|1,0,1]=4 10486 B12R1.260 CC(C)CC(C)OC1CCCO1 34a_100000085407_100000731052 [0,1,0,1,0,0|0,0,2]=4 10487 B12R1.521 CCCC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747444 [0,1,0,1,0,0|1,0,1]=4 10488 B12R1.521 CCCC(=O)CN(C)CC1CC1 2230a_100000741881_100000747444 [0,1,0,1,0,0|2,0,0]=4 10489 B12R1.521 CCCC(=O)CN(C)CC1CC1 269982a_100000741881_100000747444 [0,1,0,1,0,0|2,0,0]=4 10490 B12R1.521 CCCC(=O)CS(=O)CC1CC1 1458a_100011387478_100000210303 [0,1,0,1,0,0|2,0,0]=4 10491 B12R1.521 CCOC(=O)OC(C)SC1CC1 62a_100000036008_100000211595 [0,1,0,1,0,0|2,0,0]=4 10492 B12R1.874 CC(C)CN1CCCNC(=O)C1 2230a_100015190381_100000210760 [0,1,0,1,0,0|2,0,0]=4 10493 B12R1.874 CC(C)CN1CCCNC(=O)C1 270004a_100015190381_100000210432 [0,1,0,1,0,0|2,0,0]=4 10494 B12R1.1061 CC(C)CC(=O)NC1CC(C1)F 11a_100016993743_100000210554 [0,1,0,1,0,0|2,0,0]=4 10495 B12R1.1061 CC(C)CC(=O)NC1CC(C1)F 1626a_100016993743_100000210554 [0,1,0,1,0,0|2,0,0]=4 10496 B12R1.1061 CC(C)CC(=O)NC1CC(C1)F 240690a_100016993743_100000210554 [0,1,0,1,0,0|2,0,0]=4 10497 B12R1.1061 CC(C)CC(=O)NC1CC(C1)F 527a_100016993743_100000210554 [0,1,0,1,0,0|2,0,0]=4 10498 B12R1.1061 CC(C)CC(=O)NC1CN(C1)C 240690a_100015196640_100000210554 [0,1,0,1,0,0|2,0,0]=4 10499 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210554 [0,1,0,1,0,0|2,0,0]=4 10500 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210554 [0,1,0,1,0,0|2,0,0]=4 10501 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210554 [0,1,0,1,0,0|2,0,0]=4 10502 B12R1.1061 CC(C)CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210554 [0,1,0,1,0,0|2,0,0]=4 10503 B12R1.1061 C[C@@H](O)CC(=O)NC1CC(C1)F 240690a_100016993743_100011933948 [0,1,0,1,0,0|2,0,0]=4 10504 B12R1.1061 C[C@@H](O)CC(=O)NC1CN(C1)C 240690a_100015196640_100011933948 [0,1,0,1,0,0|2,0,0]=4 10505 B12R1.1061 C[C@@H](O)CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100011933948 [0,1,0,1,0,0|2,0,0]=4 10506 B12R1.1620 CCCC(=O)CC1CC(C1)(F)F 1458a_100000211992_100009886855 [0,1,0,1,0,0|2,0,0]=4 10507 B12R1.1620 CCCC(=O)CC1CC(C1)(F)F 1458a_100010381176_100000210303 [0,1,0,1,0,0|2,0,0]=4 10508 B12R1.1620 CCCC(=O)CN1CC(C1)(C)C 2230a_100000753659_100000747444 [0,1,0,1,0,0|2,0,0]=4 10509 B12R1.1620 CCCC(=O)CN1CC(C1)(C)C 269982a_100000753659_100000747444 [0,1,0,1,0,0|2,0,0]=4 10510 B12R1.1620 CCCC(=O)CN1CC(C1)(C)F 2230a_100000696199_100000747444 [0,1,0,1,0,0|2,0,0]=4 10511 B12R1.1620 CCCC(=O)CN1CC(C1)(C)F 269982a_100000696199_100000747444 [0,1,0,1,0,0|2,0,0]=4 10512 B12R1.1620 CCCC(=O)CN1CC(C1)(C)O 2230a_100000718560_100000747444 [0,1,0,1,0,0|2,0,0]=4 10513 B12R1.1620 CCCC(=O)CN1CC(C1)(C)O 269982a_100000718560_100000747444 [0,1,0,1,0,0|2,0,0]=4 10514 B12R1.1620 CCCC(=O)NC1CC(C1)(F)F 11a_100000756238_100000211992 [0,1,0,1,0,0|2,0,0]=4 10515 B12R1.1620 CCCC(=O)NC1CC(C1)(F)F 1626a_100000756238_100000211992 [0,1,0,1,0,0|2,0,0]=4 10516 B12R1.1620 CCCC(=O)NC1CC(C1)(F)F 240690a_100000756238_100000211992 [0,1,0,1,0,0|2,0,0]=4 10517 B12R1.1620 CCCC(=O)NC1CC(C1)(F)F 527a_100000756238_100000211992 [0,1,0,1,0,0|2,0,0]=4 10518 B12R1.1620 CCCC(=O)N[C@H]1C[C@@](C1)(C)O 11a_100121572536_100000211992 [0,1,0,1,0,0|1,0,0]=3 10519 B12R1.1620 CCCC(=O)N[C@H]1C[C@@](C1)(C)O 1626a_100121572536_100000211992 [0,1,0,1,0,0|1,0,0]=3 10520 B12R1.1620 CCCC(=O)N[C@H]1C[C@@](C1)(C)O 240690a_100121572536_100000211992 [0,1,0,1,0,0|1,0,0]=3 10521 B12R1.1620 CCCC(=O)N[C@H]1C[C@@](C1)(C)O 527a_100121572536_100000211992 [0,1,0,1,0,0|1,0,0]=3 10522 B12R1.1620 CCNC(=O)N[C@H]1C[C@@](C1)(C)O 2708a_100015525214_100121572536 [0,1,0,1,0,0|2,0,0]=4 10523 B12R1.1620 CCNC(=O)N[C@H]1C[C@@](C1)(C)O 2708a_100121572536_100015525214 [0,1,0,1,0,0|2,0,0]=4 10524 B12R1.1620 CCNC(=O)N[C@H]1C[C@@](C1)(C)O 273464a_100015525214_100121572536 [0,1,0,1,0,0|2,0,0]=4 10525 B12R1.1620 CCNC(=O)N[C@H]1C[C@@](C1)(C)O 273464a_100121572536_100015525214 [0,1,0,1,0,0|2,0,0]=4 10526 B12R1.1620 CCNC(=O)N[C@H]1C[C@@](C1)(C)O 512a_100015525214_100121572536 [0,1,0,1,0,0|2,0,0]=4 10527 B12R1.1620 CCNC(=O)N[C@H]1C[C@@](C1)(C)O 512a_100121572536_100015525214 [0,1,0,1,0,0|2,0,0]=4 10528 B12R1.1620 COCC(=O)N[C@H]1C[C@@](C1)(C)O 11a_100121572536_100000210968 [0,1,0,1,0,0|2,0,0]=4 10529 B12R1.1620 COCC(=O)N[C@H]1C[C@@](C1)(C)O 1626a_100121572536_100000210968 [0,1,0,1,0,0|2,0,0]=4 10530 B12R1.1620 COCC(=O)N[C@H]1C[C@@](C1)(C)O 240690a_100121572536_100000210968 [0,1,0,1,0,0|2,0,0]=4 10531 B12R1.1620 COCC(=O)N[C@H]1C[C@@](C1)(C)O 527a_100121572536_100000210968 [0,1,0,1,0,0|2,0,0]=4 10532 B12R1.1620 CSCC(=O)N[C@H]1C[C@@](C1)(C)O 11a_100121572536_100000184570 [0,1,0,1,0,0|2,0,0]=4 10533 B12R1.1620 CSCC(=O)N[C@H]1C[C@@](C1)(C)O 1626a_100121572536_100000184570 [0,1,0,1,0,0|2,0,0]=4 10534 B12R1.1620 CSCC(=O)N[C@H]1C[C@@](C1)(C)O 240690a_100121572536_100000184570 [0,1,0,1,0,0|2,0,0]=4 10535 B12R1.1620 CSCC(=O)N[C@H]1C[C@@](C1)(C)O 527a_100121572536_100000184570 [0,1,0,1,0,0|2,0,0]=4 10536 B12R1.1620 C[C@@]1(C[C@H](C1)NC(=O)CCO)O 240690a_100121572536_100011216618 [0,1,0,1,0,0|2,0,0]=4 10537 B12R1.1811 CC(C)CC(=O)CC(=O)C1CC1 1458a_100000210554_100000746382 [0,1,0,1,0,0|1,0,1]=4 10538 B12R1.1811 CC(C)CC(C)NC(=O)C1CC1 11a_100000692259_100000210395 [0,1,0,1,0,0|1,0,0]=3 10539 B12R1.1811 CC(C)CC(C)NC(=O)C1CC1 1626a_100000692259_100000210395 [0,1,0,1,0,0|1,0,0]=3 10540 B12R1.1811 CC(C)CC(C)NC(=O)C1CC1 240690a_100000692259_100000210395 [0,1,0,1,0,0|1,0,0]=3 10541 B12R1.1811 CC(C)CC(C)NC(=O)C1CC1 527a_100000692259_100000210395 [0,1,0,1,0,0|1,0,0]=3 10542 B12R1.1811 CC(C)CC(C)NC(=O)C1CO1 11a_100000692259_100000701028 [0,1,0,1,0,0|2,0,0]=4 10543 B12R1.1811 CC(C)CC(C)NC(=O)C1CO1 1626a_100000692259_100000701028 [0,1,0,1,0,0|2,0,0]=4 10544 B12R1.1811 CC(C)CC(C)NC(=O)C1CO1 240690a_100000692259_100000701028 [0,1,0,1,0,0|2,0,0]=4 10545 B12R1.1811 CC(C)CC(C)NC(=O)C1CO1 527a_100000692259_100000701028 [0,1,0,1,0,0|2,0,0]=4 10546 B12R1.1811 CC(C)CC(C)OC(C)C1CC1 34a_100000744524_100000731052 [0,1,0,1,0,0|1,0,1]=4 10547 B12R1.1811 CC(C)CC(C)OC(C)C1CC1 7a_100000744524_100000731052 [0,1,0,1,0,0|1,0,1]=4 10548 B12R1.1811 CC(C)CN(C)CC(=O)C1CC1 2230a_100000747067_100000746382 [0,1,0,1,0,0|2,0,0]=4 10549 B12R1.1811 CC(C)CN(C)CC(=O)C1CC1 269982a_100000747067_100000746382 [0,1,0,1,0,0|2,0,0]=4 10550 B12R1.1811 CC(CN(C)C)NC(=O)C1CC1 11a_100016992788_100000210395 [0,1,0,1,0,0|2,0,0]=4 10551 B12R1.1811 CC(CN(C)C)NC(=O)C1CC1 240690a_100016992788_100000210395 [0,1,0,1,0,0|2,0,0]=4 10552 B12R1.1811 CC(CN(C)C)NC(=O)C1CC1 527a_100016992788_100000210395 [0,1,0,1,0,0|2,0,0]=4 10553 B12R1.2686 CC(C)CC(C)OC1(CCC1)C 34a_100000759064_100000731052 [0,1,0,1,0,0|1,0,1]=4 10554 B12R1.2686 CC(C)CC(C)OC1(CCC1)C 7a_100000759064_100000731052 [0,1,0,1,0,0|1,0,1]=4 10555 B12R1.3418 CCCC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747444 [0,1,0,1,0,0|1,0,1]=4 10556 B12R1.103 CC(C)CC(=O)C1CCC(C1)O 1458a_100000688591_100000210624 [0,1,0,1,0,0|2,0,0]=4 10557 B12R1.103 CC(C)CC(=O)C1CCN(C1)C 1458a_100000739633_100000210624 [0,1,0,1,0,0|2,0,0]=4 10558 B12R1.103 CC(C)CC(=O)N1CCC(C1)O 240690a_100011215560_100000210554 [0,1,0,1,0,0|2,0,0]=4 10559 B12R1.103 CC(C)CC(=O)N1CCC(C1)O 527a_100011215560_100000210554 [0,1,0,1,0,0|2,0,0]=4 10560 B12R1.103 CC(C)CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210554 [0,1,0,1,0,0|2,0,0]=4 10561 B12R1.103 CC(C)CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210554 [0,1,0,1,0,0|2,0,0]=4 10562 B12R1.103 CC(C)CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210554 [0,1,0,1,0,0|2,0,0]=4 10563 B12R1.103 CC(C)CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210554 [0,1,0,1,0,0|2,0,0]=4 10564 B12R1.103 CC(C)CC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210554 [0,1,0,1,0,0|1,0,0]=3 10565 B12R1.103 CC(C)CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210554 [0,1,0,1,0,0|1,0,0]=3 10566 B12R1.103 CC(C)CC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210554 [0,1,0,1,0,0|1,0,0]=3 10567 B12R1.103 CC(C)NC(=O)N1CC[C@H](C1)C 2708a_100138425928_100016987628 [0,1,0,1,0,0|2,0,0]=4 10568 B12R1.103 CC(C)NC(=O)N1CC[C@H](C1)C 273464a_100138425928_100016987628 [0,1,0,1,0,0|2,0,0]=4 10569 B12R1.103 CC(O)CC(=O)C1CCC(C1)O 1458a_100000688591_100011218427 [0,1,0,1,0,0|2,0,0]=4 10570 B12R1.103 CC(O)CC(=O)C1CCN(C1)C 1458a_100000739633_100011218427 [0,1,0,1,0,0|2,0,0]=4 10571 B12R1.103 C[C@@H](O)CC(=O)N1CCC(C1)O 240690a_100011215560_100011933948 [0,1,0,1,0,0|2,0,0]=4 10572 B12R1.103 C[C@@H](O)CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100011933948 [0,1,0,1,0,0|2,0,0]=4 10573 B12R1.103 C[C@@H]1CCN(C1)C(=O)CN(C)C 11a_100016987628_100000750896 [0,1,0,1,0,0|2,0,0]=4 10574 B12R1.103 C[C@@H]1CCN(C1)C(=O)CN(C)C 240690a_100016987628_100000750896 [0,1,0,1,0,0|2,0,0]=4 10575 B12R1.103 C[C@@H]1CCN(C1)C(=O)CN(C)C 527a_100016987628_100000750896 [0,1,0,1,0,0|2,0,0]=4 10576 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[C@@H](C)O 240690a_100016987628_100011933948 [0,1,0,1,0,0|1,0,0]=3 10577 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[S+](C)C 11a_100016987628_200159257847 [0,1,0,1,0,0|2,0,0]=4 10578 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[S+](C)C 240690a_100016987628_200159257847 [0,1,0,1,0,0|2,0,0]=4 10579 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[S+](C)C 527a_100016987628_200159257847 [0,1,0,1,0,0|2,0,0]=4 10580 B12R1.105 CC(C)CCOC1CCC(C1)C 34a_100000698185_100000210312 [0,1,0,1,0,0|1,0,1]=4 10581 B12R1.105 CC(C)CCOC1CCN(C1)C 7a_100000210254_200012183744 [0,1,0,1,0,0|1,0,1]=4 10582 B12R1.142 CC(C)CC(C)OCC1CC1C 34a_100000744939_100000731052 [0,1,0,1,0,0|1,0,1]=4 10583 B12R1.142 CC(C)CC(C)OCC1CC1C 7a_100000744939_100000731052 [0,1,0,1,0,0|1,0,1]=4 10584 B12R1.1238 CC(C)CCCC(=O)C1CC1C 1458a_100000211227_100011214892 [0,1,0,1,0,0|1,0,0]=3 10585 B12R1.1238 CC(C)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011214892 [0,1,0,1,0,0|1,0,0]=3 10586 B12R1.1238 CC(C)CCNC(=O)C1CC1C 11a_100000210545_100000211227 [0,1,0,1,0,0|1,0,0]=3 10587 B12R1.1238 CC(C)CCNC(=O)C1CC1C 1626a_100000210545_100000211227 [0,1,0,1,0,0|1,0,0]=3 10588 B12R1.1238 CC(C)CCNC(=O)C1CC1C 527a_100000210545_100000211227 [0,1,0,1,0,0|1,0,0]=3 10589 B12R1.1238 CC(C)CCNC(=O)[C@@H]1C[C@@H]1F 11a_100000210545_100015396687 [0,1,0,1,0,0|1,0,0]=3 10590 B12R1.1238 CC(C)CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000210545_100015396687 [0,1,0,1,0,0|1,0,0]=3 10591 B12R1.1238 CC(C)CCNC(=O)[C@@H]1C[C@@H]1F 527a_100000210545_100015396687 [0,1,0,1,0,0|1,0,0]=3 10592 B12R1.1238 CC(C)CNNC(=O)C1CC1C 22a_100000696102_100000211227 [0,1,0,1,0,0|2,0,0]=4 10593 B12R1.1238 CC(C)CNNC(=O)[C@@H]1C[C@@H]1F 22a_100000696102_100015396687 [0,1,0,1,0,0|2,0,0]=4 10594 B12R1.1238 CC(C)OCCC(=O)C1CC1C 1458a_100000211227_100000211751 [0,1,0,1,0,0|2,0,0]=4 10595 B12R1.1238 CC(C)OCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000211751 [0,1,0,1,0,0|2,0,0]=4 10596 B12R1.1238 CC(C)SCCC(=O)C1CC1C 1458a_100000211227_100000730970 [0,1,0,1,0,0|2,0,0]=4 10597 B12R1.1238 CC(C)SCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000730970 [0,1,0,1,0,0|2,0,0]=4 10598 B12R1.1238 CC(O)CCCC(=O)C1CC1C 1458a_100000211227_200000718107 [0,1,0,1,0,0|2,0,0]=4 10599 B12R1.1238 CC(O)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000718107 [0,1,0,1,0,0|2,0,0]=4 10600 B12R1.1238 CC(O)CCNC(=O)C1CC1C 527a_200000755665_100000211227 [0,1,0,1,0,0|2,0,0]=4 10601 B12R1.1238 CC(O)CCNC(=O)[C@@H]1C[C@@H]1F 240690a_200000755665_100015396687 [0,1,0,1,0,0|2,0,0]=4 10602 B12R1.1238 CC(O)CCNC(=O)[C@@H]1C[C@@H]1F 527a_200000755665_100015396687 [0,1,0,1,0,0|2,0,0]=4 10603 B12R1.1238 CC1CC1C(=O)CCCN(C)C 1458a_100000211227_100000695564 [0,1,0,1,0,0|2,0,0]=4 10604 B12R1.1238 CC1CC1C(=O)NCCN(C)C 527a_100000210585_100000211227 [0,1,0,1,0,0|2,0,0]=4 10605 B12R1.1238 CN(C)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000695564 [0,1,0,1,0,0|2,0,0]=4 10606 B12R1.1238 CN(C)CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000210585_100015396687 [0,1,0,1,0,0|2,0,0]=4 10607 B12R1.1238 CN(C)CCNC(=O)[C@@H]1C[C@@H]1F 527a_100000210585_100015396687 [0,1,0,1,0,0|2,0,0]=4 10608 B12R1.1359 CC(C)CCCC(=O)CC1CC1 1458a_100000738066_100011214892 [0,1,0,1,0,0|1,0,0]=3 10609 B12R1.1359 CC(C)CCCC(=O)CC1CC1 1458a_100011216857_100000742324 [0,1,0,1,0,0|1,0,0]=3 10610 B12R1.1359 CC(C)CCCC(=O)CC1CO1 1458a_100011216857_100011216344 [0,1,0,1,0,0|1,0,0]=3 10611 B12R1.1359 CC(C)CCCC(=O)CC1CS1 1458a_100011216857_100000031435 [0,1,0,1,0,0|1,0,0]=3 10612 B12R1.1359 CC(C)CCCC(=O)C[C@@H]1CO1 1458a_100011216857_100000745022 [0,1,0,1,0,0|1,0,0]=3 10613 B12R1.1359 CC(C)CCCC(=O)NC1CC1 1626a_100000212008_100011216857 [0,1,0,1,0,0|1,0,0]=3 10614 B12R1.1359 CC(C)CCCC(=O)NC1CC1 240690a_100000212008_100011216857 [0,1,0,1,0,0|1,0,0]=3 10615 B12R1.1359 CC(C)CCCC(=O)NC1CC1 527a_100000212008_100011216857 [0,1,0,1,0,0|1,0,0]=3 10616 B12R1.1359 CC(C)CCNC(=O)CC1CC1 11a_100000210545_100000738066 [0,1,0,1,0,0|1,0,0]=3 10617 B12R1.1359 CC(C)CCNC(=O)CC1CC1 1626a_100000210545_100000738066 [0,1,0,1,0,0|1,0,0]=3 10618 B12R1.1359 CC(C)CCNC(=O)CC1CC1 240690a_100000210545_100000738066 [0,1,0,1,0,0|1,0,0]=3 10619 B12R1.1359 CC(C)CCNC(=O)CC1CC1 527a_100000210545_100000738066 [0,1,0,1,0,0|1,0,0]=3 10620 B12R1.1359 CC(C)CCNC(=O)NC1CC1 2708a_100000210545_100000212008 [0,1,0,1,0,0|1,0,0]=3 10621 B12R1.1359 CC(C)CCNC(=O)NC1CC1 2708a_100000212008_100000210545 [0,1,0,1,0,0|1,0,0]=3 10622 B12R1.1359 CC(C)CCNC(=O)NC1CC1 273464a_100000210545_100000212008 [0,1,0,1,0,0|1,0,0]=3 10623 B12R1.1359 CC(C)CCNC(=O)NC1CC1 273464a_100000212008_100000210545 [0,1,0,1,0,0|1,0,0]=3 10624 B12R1.1359 CC(C)CCNC(=O)NC1CC1 512a_100000212008_100000210545 [0,1,0,1,0,0|1,0,0]=3 10625 B12R1.1359 CC(C)CNCC(=O)NC1CC1 2230a_100000210953_100000182950 [0,1,0,1,0,0|2,0,0]=4 10626 B12R1.1359 CC(C)CNCC(=O)NC1CC1 2230a_100000702991_100000210760 [0,1,0,1,0,0|2,0,0]=4 10627 B12R1.1359 CC(C)CNCC(=O)NC1CC1 270004a_100000702991_100000210432 [0,1,0,1,0,0|2,0,0]=4 10628 B12R1.1359 CC(C)CNCC(=O)NC1CC1 34a_100000210953_100000182950 [0,1,0,1,0,0|2,0,0]=4 10629 B12R1.1359 CC(C)CNNC(=O)CC1CC1 22a_100000696102_100000738066 [0,1,0,1,0,0|2,0,0]=4 10630 B12R1.1359 CC(C)CNNC(=O)NC1CC1 273464a_100000212008_100000696102 [0,1,0,1,0,0|2,0,0]=4 10631 B12R1.1359 CC(C)CNNC(=O)NC1CC1 512a_100000212008_100000696102 [0,1,0,1,0,0|2,0,0]=4 10632 B12R1.1359 CC(C)COCC(=O)CC1CC1 1458a_100011223364_100000742324 [0,1,0,1,0,0|2,0,0]=4 10633 B12R1.1359 CC(C)COCC(=O)CC1CO1 1458a_100011223364_100011216344 [0,1,0,1,0,0|2,0,0]=4 10634 B12R1.1359 CC(C)COCC(=O)CC1CS1 1458a_100011223364_100000031435 [0,1,0,1,0,0|2,0,0]=4 10635 B12R1.1359 CC(C)COCC(=O)C[C@@H]1CO1 1458a_100011223364_100000745022 [0,1,0,1,0,0|2,0,0]=4 10636 B12R1.1359 CC(C)COCC(=O)NC1CC1 1626a_100000212008_100011223364 [0,1,0,1,0,0|2,0,0]=4 10637 B12R1.1359 CC(C)COCC(=O)NC1CC1 240690a_100000212008_100011223364 [0,1,0,1,0,0|2,0,0]=4 10638 B12R1.1359 CC(C)COCC(=O)NC1CC1 34a_100000210257_100000182950 [0,1,0,1,0,0|2,0,0]=4 10639 B12R1.1359 CC(C)COCC(=O)NC1CC1 527a_100000212008_100011223364 [0,1,0,1,0,0|2,0,0]=4 10640 B12R1.1359 CC(C)CSCC(=O)NC1CC1 62a_100000182950_100000210760 [0,1,0,1,0,0|2,0,0]=4 10641 B12R1.1359 CC(C)CSCC(=O)NC1CC1 62a_100000210624_100000182950 [0,1,0,1,0,0|2,0,0]=4 10642 B12R1.1359 CC(C)NCCC(=O)NC1CC1 2230a_100138425928_100000737409 [0,1,0,1,0,0|2,0,0]=4 10643 B12R1.1359 CC(C)NCCC(=O)NC1CC1 34a_100138425928_100000737409 [0,1,0,1,0,0|2,0,0]=4 10644 B12R1.1359 CC(C)OCCC(=O)CC1CC1 1458a_100000738066_100000211751 [0,1,0,1,0,0|2,0,0]=4 10645 B12R1.1359 CC(C)OCCC(=O)NC1CC1 34a_100000212225_100000737409 [0,1,0,1,0,0|2,0,0]=4 10646 B12R1.1359 CC(C)SCCC(=O)CC1CC1 1458a_100000738066_100000730970 [0,1,0,1,0,0|2,0,0]=4 10647 B12R1.1359 CC(C)SCCC(=O)NC1CC1 62a_100000210206_100000737409 [0,1,0,1,0,0|2,0,0]=4 10648 B12R1.1359 CC(C)SCCC(=O)NC1CC1 62a_100000737409_100000210206 [0,1,0,1,0,0|2,0,0]=4 10649 B12R1.1359 CC(O)CCCC(=O)CC1CC1 1458a_100000738066_200000718107 [0,1,0,1,0,0|2,0,0]=4 10650 B12R1.1359 CC(O)CCCC(=O)NC1CC1 1626a_100000212008_100000761597 [0,1,0,1,0,0|2,0,0]=4 10651 B12R1.1359 CC(O)CCCC(=O)NC1CC1 527a_100000212008_100000761597 [0,1,0,1,0,0|2,0,0]=4 10652 B12R1.1359 CC(O)CCNC(=O)CC1CC1 240690a_200000755665_100000738066 [0,1,0,1,0,0|2,0,0]=4 10653 B12R1.1359 CC(O)CCNC(=O)CC1CC1 527a_200000755665_100000738066 [0,1,0,1,0,0|2,0,0]=4 10654 B12R1.1359 CC(O)CCNC(=O)NC1CC1 2708a_100000212008_200000755665 [0,1,0,1,0,0|2,0,0]=4 10655 B12R1.1359 CC(O)CCNC(=O)NC1CC1 273464a_200000755665_100000212008 [0,1,0,1,0,0|2,0,0]=4 10656 B12R1.1359 CC(O)CCNC(=O)NC1CC1 512a_100000212008_200000755665 [0,1,0,1,0,0|2,0,0]=4 10657 B12R1.1359 CN(C)CCCC(=O)CC1CC1 1458a_100000738066_100000695564 [0,1,0,1,0,0|2,0,0]=4 10658 B12R1.1359 CN(C)CCCC(=O)NC1CC1 240690a_100000212008_100000740757 [0,1,0,1,0,0|2,0,0]=4 10659 B12R1.1359 CN(C)CCNC(=O)CC1CC1 240690a_100000210585_100000738066 [0,1,0,1,0,0|2,0,0]=4 10660 B12R1.1359 CN(C)CCNC(=O)CC1CC1 527a_100000210585_100000738066 [0,1,0,1,0,0|2,0,0]=4 10661 B12R1.1359 CN(C)CCNC(=O)NC1CC1 2708a_100000212008_100000210585 [0,1,0,1,0,0|2,0,0]=4 10662 B12R1.1359 CN(C)CCNC(=O)NC1CC1 273464a_100000210585_100000212008 [0,1,0,1,0,0|2,0,0]=4 10663 B12R1.1359 CN(C)CCNC(=O)NC1CC1 273464a_100000212008_100000210585 [0,1,0,1,0,0|2,0,0]=4 10664 B12R1.1359 CN(C)CCNC(=O)NC1CC1 512a_100000212008_100000210585 [0,1,0,1,0,0|2,0,0]=4 10665 B12R1.1377 CC(C)CC(=O)CCCC1CO1 1458a_100000210554_100000733510 [0,1,0,1,0,0|2,0,0]=4 10666 B12R1.1377 CC(C)CC(=O)CSCC1CC1 1458a_200011316215_100000210624 [0,1,0,1,0,0|2,0,0]=4 10667 B12R1.1377 CC(C)CC(=O)NCCC1CC1 1626a_100000764129_100000210554 [0,1,0,1,0,0|1,0,0]=3 10668 B12R1.1377 CC(C)CC(=O)NCCC1CC1 240690a_100000764129_100000210554 [0,1,0,1,0,0|1,0,0]=3 10669 B12R1.1377 CC(C)CC(=O)NCCC1CC1 527a_100000764129_100000210554 [0,1,0,1,0,0|1,0,0]=3 10670 B12R1.1377 CC(C)CC(=O)NNCC1CC1 22a_100000736359_100000210554 [0,1,0,1,0,0|2,0,0]=4 10671 B12R1.1377 CC(C)CC(C)OCCC1CC1 34a_100000211805_100000694398 [0,1,0,1,0,0|1,0,1]=4 10672 B12R1.1377 CC(C)CC(C)OCCC1CC1 34a_100000754188_100000731052 [0,1,0,1,0,0|1,0,1]=4 10673 B12R1.1377 CC(C)CC(C)OCCC1CC1 7a_100000211805_100000764125 [0,1,0,1,0,0|1,0,1]=4 10674 B12R1.1377 CC(C)CC(C)OCCC1CC1 7a_100000754188_100000731052 [0,1,0,1,0,0|1,0,1]=4 10675 B12R1.1377 CC(C)NC(=O)NCCC1CC1 2708a_100000764129_100138425928 [0,1,0,1,0,0|2,0,0]=4 10676 B12R1.1377 CC(C)NC(=O)NCCC1CC1 2708a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 10677 B12R1.1377 CC(C)NC(=O)NCCC1CC1 273464a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 10678 B12R1.1377 CC(C)NC(=O)NCCC1CC1 512a_100000764129_100138425928 [0,1,0,1,0,0|2,0,0]=4 10679 B12R1.1377 CC(C)NC(=O)NCCC1CC1 512a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 10680 B12R1.1377 CC(C)OC(=O)OCSC1CC1 62a_100000003507_100000211595 [0,1,0,1,0,0|2,0,0]=4 10681 B12R1.1377 CC(O)CC(=O)CSCC1CC1 1458a_200011316215_100011218427 [0,1,0,1,0,0|2,0,0]=4 10682 B12R1.1377 CN(C)CC(=O)NCCC1CC1 240690a_100000764129_100000750896 [0,1,0,1,0,0|2,0,0]=4 10683 B12R1.1377 CN(C)CC(=O)NCCC1CC1 527a_100000764129_100000750896 [0,1,0,1,0,0|2,0,0]=4 10684 B12R1.1377 C[C@@H](O)CC(=O)CCCC1CO1 1458a_100011933948_100000733510 [0,1,0,1,0,0|2,0,0]=4 10685 B12R1.1377 C[C@@H](O)CC(=O)NCCC1CC1 240690a_100000764129_100011933948 [0,1,0,1,0,0|1,0,0]=3 10686 B12R1.1377 C[C@@H](O)CC(=O)NNCC1CC1 22a_100000736359_100011933948 [0,1,0,1,0,0|2,0,0]=4 10687 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 1626a_100000764129_200159257847 [0,1,0,1,0,0|2,0,0]=4 10688 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 240690a_100000764129_200159257847 [0,1,0,1,0,0|2,0,0]=4 10689 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 527a_100000764129_200159257847 [0,1,0,1,0,0|2,0,0]=4 10690 B12R1.138 C#CC(CCC)OCCC1CC1 34a_200011217317_100000694398 [0,1,0,1,0,0|1,0,1]=4 10691 B12R1.138 C#CC(CCC)OCCC1CC1 7a_200011217317_100000764125 [0,1,0,1,0,0|1,0,1]=4 10692 B12R1.138 C=CC(CCC)OCCC1CC1 34a_100011216692_100000694398 [0,1,0,1,0,0|1,0,1]=4 10693 B12R1.138 C=CC(CCC)OCCC1CC1 7a_100011216692_100000764125 [0,1,0,1,0,0|1,0,1]=4 10694 B12R1.138 CCCC(C#N)OCCC1CC1 34a_100000686963_100000694398 [0,1,0,1,0,0|1,0,1]=4 10695 B12R1.138 CCCC(C#N)OCCC1CC1 7a_100000686963_100000764125 [0,1,0,1,0,0|1,0,1]=4 10696 B12R1.138 CCCC(CC)OCCC1CC1 34a_100000687864_100000694398 [0,1,0,1,0,0|1,0,1]=4 10697 B12R1.138 CCCC(CC)OCCC1CC1 7a_100000687864_100000764125 [0,1,0,1,0,0|1,0,1]=4 10698 B12R1.138 CCCC(CC)OCCC1CC1 7a_100000754188_100011219200 [0,1,0,1,0,0|1,0,1]=4 10699 B12R1.252 CC(C)CCOC1C=CCCC1 34a_100011215024_100000210312 [0,1,0,1,0,0|1,0,1]=4 10700 B12R1.252 CC(C)CCOC1C=CCCC1 7a_100000210254_100000751183 [0,1,0,1,0,0|1,0,1]=4 10701 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210231_100000210312 [0,1,0,1,0,0|1,0,1]=4 10702 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210254_100000210327 [0,1,0,1,0,0|1,0,1]=4 10703 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210231_100000210626 [0,1,0,1,0,0|1,0,1]=4 10704 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210254_100000210327 [0,1,0,1,0,0|1,0,1]=4 10705 B12R1.252 CC(C)CCOC1CCCCO1 34a_100000033831_100000210312 [0,1,0,1,0,0|0,0,2]=4 10706 B12R1.252 CC(C)CCOC1CCCOC1 34a_100000210254_100000693364 [0,1,0,1,0,0|0,0,2]=4 10707 B12R1.252 CC(C)CCOC1CCCOC1 34a_100000754041_100000210312 [0,1,0,1,0,0|0,0,2]=4 10708 B12R1.252 CC(C)CCOC1CCCOC1 7a_100000210254_100000693364 [0,1,0,1,0,0|0,0,2]=4 10709 B12R1.252 CC(C)CCOC1CCCSC1 7a_100015962668_100000210626 [0,1,0,1,0,0|0,1,1]=4 10710 B12R1.252 CC(C)CCOC1CCOCC1 34a_100000744328_100000210312 [0,1,0,1,0,0|1,0,1]=4 10711 B12R1.252 CC(C)CCOC1CCOCC1 7a_100000210254_100000686592 [0,1,0,1,0,0|1,0,1]=4 10712 B12R1.252 CC(C)CCOC1CCSCC1 34a_100000210254_100000069128 [0,1,0,1,0,0|1,0,1]=4 10713 B12R1.252 CC(C)CCOC1CCSCC1 34a_100000731022_100000210312 [0,1,0,1,0,0|1,0,1]=4 10714 B12R1.252 CC(C)CCOC1CCSCC1 7a_100000210254_100011500858 [0,1,0,1,0,0|1,0,1]=4 10715 B12R1.252 CC(C)CCOC1CCSCC1 7a_100000731022_100000210626 [0,1,0,1,0,0|1,0,1]=4 10716 B12R1.610 CCCC(CC)OCC1CC1C 7a_100000744939_100011219200 [0,1,0,1,0,0|1,0,1]=4 10717 B12R1.3756 CC(C)CCOC(CN)C1CC1 34a_100000751198_100000210312 [0,1,0,1,0,0|1,0,1]=4 10718 B12R1.3756 CCC(OCCC(C)C)C1CC1 34a_100011351122_100000210312 [0,1,0,1,0,0|1,0,1]=4 10719 B12R1.3756 CCC(OCCC(C)C)C1CC1 7a_100011351122_100000210626 [0,1,0,1,0,0|1,0,1]=4 10720 B12R1.16 CC1CCC(CC1)C(=O)CCO 1458a_100011216618_200011216234 [0,1,0,1,0,0|2,0,0]=4 10721 B12R1.16 CC1CCN(CC1)C(=O)CCO 240690a_100000188429_100011216618 [0,1,0,1,0,0|2,0,0]=4 10722 B12R1.16 CC1CCN(CC1)C(=O)CS[13CH3] 62a_100000182867_200025704644 [0,1,0,1,0,0|2,0,0]=4 10723 B12R1.16 CC1CCN(CC1)C(=O)CS[13CH3] 62a_200025704644_100000182867 [0,1,0,1,0,0|2,0,0]=4 10724 B12R1.16 CCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210303 [0,1,0,1,0,0|1,0,1]=4 10725 B12R1.16 CCCC(=O)C1CCC(CC1)C 1458a_100000211992_200011216234 [0,1,0,1,0,0|1,0,0]=3 10726 B12R1.16 CCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210303 [0,1,0,1,0,0|2,0,0]=4 10727 B12R1.16 CCCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210303 [0,1,0,1,0,0|2,0,0]=4 10728 B12R1.16 CCCC(=O)N1CC=C(CC1)C 11a_100000693516_100000211992 [0,1,0,1,0,0|1,0,1]=4 10729 B12R1.16 CCCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000211992 [0,1,0,1,0,0|1,0,1]=4 10730 B12R1.16 CCCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000211992 [0,1,0,1,0,0|1,0,1]=4 10731 B12R1.16 CCCC(=O)N1CC=C(CC1)C 527a_100000693516_100000211992 [0,1,0,1,0,0|1,0,1]=4 10732 B12R1.16 CCCC(=O)N1CCC(CC1)C 240690a_100000188429_100000211992 [0,1,0,1,0,0|1,0,0]=3 10733 B12R1.16 CCCC(=O)N1CCC(CC1)C 527a_100000188429_100000211992 [0,1,0,1,0,0|1,0,0]=3 10734 B12R1.16 CCCC(=O)N1CCC(CC1)F 11a_100015193889_100000211992 [0,1,0,1,0,0|2,0,0]=4 10735 B12R1.16 CCCC(=O)N1CCC(CC1)F 1626a_100015193889_100000211992 [0,1,0,1,0,0|2,0,0]=4 10736 B12R1.16 CCCC(=O)N1CCC(CC1)F 240690a_100015193889_100000211992 [0,1,0,1,0,0|2,0,0]=4 10737 B12R1.16 CCCC(=O)N1CCC(CC1)F 527a_100015193889_100000211992 [0,1,0,1,0,0|2,0,0]=4 10738 B12R1.16 CCCC(=O)N1CCC(CC1)O 240690a_100025773856_100000211992 [0,1,0,1,0,0|2,0,0]=4 10739 B12R1.16 CCCC(=O)N1CCC(CC1)O 527a_100025773856_100000211992 [0,1,0,1,0,0|2,0,0]=4 10740 B12R1.16 CCCC(=O)N1CCN(CC1)C 11a_100000188432_100000211992 [0,1,0,1,0,0|2,0,0]=4 10741 B12R1.16 CCCC(=O)N1CCN(CC1)C 2230a_102495365011_200000210301 [0,1,0,1,0,0|2,0,0]=4 10742 B12R1.16 CCCC(=O)N1CCN(CC1)C 240690a_100000188432_100000211992 [0,1,0,1,0,0|2,0,0]=4 10743 B12R1.16 CCCC(=O)N1CCN(CC1)C 269982a_102495365011_200000210301 [0,1,0,1,0,0|2,0,0]=4 10744 B12R1.16 CCCC(=O)N1CCN(CC1)C 527a_100000188432_100000211992 [0,1,0,1,0,0|2,0,0]=4 10745 B12R1.16 CCCC(=O)N1CCN(CC1)[13CH3] 2230a_102495365011_200025704644 [0,1,0,1,0,0|2,0,0]=4 10746 B12R1.16 CCCC(=O)N1CCN(CC1)[13CH3] 269982a_102495365011_200025704644 [0,1,0,1,0,0|2,0,0]=4 10747 B12R1.16 CCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210303 [0,1,0,1,0,0|1,0,0]=3 10748 B12R1.16 CCNC(=O)N1CCC(CC1)C 2708a_100015525214_100000188429 [0,1,0,1,0,0|2,0,0]=4 10749 B12R1.16 CCNC(=O)N1CCC(CC1)C 273464a_100015525214_100000188429 [0,1,0,1,0,0|2,0,0]=4 10750 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 11a_100015525214_100009815934 [0,1,0,1,0,0|2,0,0]=4 10751 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100015525214_100009815934 [0,1,0,1,0,0|2,0,0]=4 10752 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100015525214_100009815934 [0,1,0,1,0,0|2,0,0]=4 10753 B12R1.16 CNCC(=O)N1CCC(CC1)C 2230a_106832991635_100000182867 [0,1,0,1,0,0|2,0,0]=4 10754 B12R1.16 CNCC(=O)N1CCC(CC1)C 34a_100102657272_100000182867 [0,1,0,1,0,0|2,0,0]=4 10755 B12R1.16 CNCC(=O)N1CCC(CC1)C 7a_106832991635_100000182867 [0,1,0,1,0,0|2,0,0]=4 10756 B12R1.16 COCC(=O)C1CCC(CC1)C 1458a_100000210968_200011216234 [0,1,0,1,0,0|2,0,0]=4 10757 B12R1.16 COCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210968 [0,1,0,1,0,0|2,0,0]=4 10758 B12R1.16 COCC(=O)N1CCC(CC1)C 34a_100138415774_100000182867 [0,1,0,1,0,0|2,0,0]=4 10759 B12R1.16 COCC(=O)N1CCC(CC1)C 527a_100000188429_100000210968 [0,1,0,1,0,0|2,0,0]=4 10760 B12R1.16 CSCC(=O)C1CCC(CC1)C 1458a_100000184570_200011216234 [0,1,0,1,0,0|2,0,0]=4 10761 B12R1.16 CSCC(=O)N1CCC(CC1)C 240690a_100000188429_100000184570 [0,1,0,1,0,0|2,0,0]=4 10762 B12R1.16 CSCC(=O)N1CCC(CC1)C 527a_100000188429_100000184570 [0,1,0,1,0,0|2,0,0]=4 10763 B12R1.16 CSCC(=O)N1CCC(CC1)C 62a_100000182867_200000210301 [0,1,0,1,0,0|2,0,0]=4 10764 B12R1.16 CSCC(=O)N1CCC(CC1)C 62a_200000210301_100000182867 [0,1,0,1,0,0|2,0,0]=4 10765 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CCF 1458a_100009815934_100011217306 [0,1,0,1,0,0|2,0,0]=4 10766 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CCO 1458a_100009815934_100000211926 [0,1,0,1,0,0|2,0,0]=4 10767 B12R1.54 CC(C)CCC(=O)C1=CCCC1 1458a_100000038896_100000210312 [0,1,0,1,0,0|2,0,0]=4 10768 B12R1.125 CC(C)CNC1CCCCC1=O 34a_100000210953_100000754470 [0,1,0,1,0,0|2,0,0]=4 10769 B12R1.125 CC(C)CNC1CCCNC1=O 2230a_100000210953_100000687798 [0,1,0,1,0,0|2,0,0]=4 10770 B12R1.125 CC(C)CNC1CCCNC1=O 2230a_100000747585_100000210760 [0,1,0,1,0,0|2,0,0]=4 10771 B12R1.125 CC(C)CNC1CCCNC1=O 270004a_100000747585_100000210432 [0,1,0,1,0,0|2,0,0]=4 10772 B12R1.125 CC(C)CNC1CCCNC1=O 34a_100000210953_100000687798 [0,1,0,1,0,0|2,0,0]=4 10773 B12R1.125 CC(C)CNC1CCCNC1=O 34a_100000747585_100000210624 [0,1,0,1,0,0|2,0,0]=4 10774 B12R1.125 CC(C)CNC1COCCC1=O 34a_100000210953_100012180262 [0,1,0,1,0,0|2,0,0]=4 10775 B12R1.125 CC(C)COC1CCCCC1=O 34a_100000210257_100000754470 [0,1,0,1,0,0|2,0,0]=4 10776 B12R1.125 CC(C)COC1CCCCC1=O 34a_100011214950_100000210624 [0,1,0,1,0,0|2,0,0]=4 10777 B12R1.125 CC(C)COC1CCCNC1=O 34a_100000073722_100000210624 [0,1,0,1,0,0|2,0,0]=4 10778 B12R1.125 CC(C)COC1CCCNC1=O 34a_100000210257_100000687798 [0,1,0,1,0,0|2,0,0]=4 10779 B12R1.125 CC(C)COC1COCCC1=O 34a_100000210257_100012180262 [0,1,0,1,0,0|2,0,0]=4 10780 B12R1.125 CC(C)CSC1CCCCC1=O 62a_100000204591_100000210760 [0,1,0,1,0,0|2,0,0]=4 10781 B12R1.125 CC(C)CSC1CCCCC1=O 62a_100000210624_100000204591 [0,1,0,1,0,0|2,0,0]=4 10782 B12R1.125 CC(C)CSC1CCCNC1=O 62a_100000210624_100000687798 [0,1,0,1,0,0|2,0,0]=4 10783 B12R1.125 CC(C)CSC1CCCNC1=O 62a_100000687798_100000210760 [0,1,0,1,0,0|2,0,0]=4 10784 B12R1.125 CC(C)CSC1COCCC1=O 62a_100000210624_100012180262 [0,1,0,1,0,0|2,0,0]=4 10785 B12R1.125 CC(C)CSC1COCCC1=O 62a_100012180262_100000210760 [0,1,0,1,0,0|2,0,0]=4 10786 B12R1.125 CC(C)OCC1CCCCC1=O 34a_100009861125_100000210206 [0,1,0,1,0,0|2,0,0]=4 10787 B12R1.125 CC(C)OCC1CCCCC1=O 7a_100009861125_100000210206 [0,1,0,1,0,0|2,0,0]=4 10788 B12R1.556 CCNC(=O)C(=O)CCC1CC1 1458a_200011297158_100000694398 [0,1,0,1,0,0|2,0,0]=4 10789 B12R1.1566 CCCC(=O)C1CN(C1)C(C)C 1458a_100011935012_100000210303 [0,1,0,1,0,0|2,0,0]=4 10790 B12R1.1566 CCCC(=O)N1CC(C1)N(C)C 240690a_100000694738_100000211992 [0,1,0,1,0,0|2,0,0]=4 10791 B12R1.1566 CCCC(=O)N1CC(C1)N(C)C 527a_100000694738_100000211992 [0,1,0,1,0,0|2,0,0]=4 10792 B12R1.1580 CC1(CCN(C1)C(=O)CCO)C 240690a_100000764714_100011216618 [0,1,0,1,0,0|2,0,0]=4 10793 B12R1.1580 CC1(CCN(C1)C(=O)CCO)O 240690a_100000718628_100011216618 [0,1,0,1,0,0|2,0,0]=4 10794 B12R1.1580 CCCC(=O)C1CCC(C1)(F)F 1458a_100000696201_100000210303 [0,1,0,1,0,0|2,0,0]=4 10795 B12R1.1580 CCCC(=O)C1COC(O1)(C)C 1458a_100015188449_100000210303 [0,1,0,1,0,0|2,0,0]=4 10796 B12R1.1580 CCCC(=O)N1CCC(C1)(C)C 11a_100000764714_100000211992 [0,1,0,1,0,0|1,0,0]=3 10797 B12R1.1580 CCCC(=O)N1CCC(C1)(C)C 1626a_100000764714_100000211992 [0,1,0,1,0,0|1,0,0]=3 10798 B12R1.1580 CCCC(=O)N1CCC(C1)(C)C 240690a_100000764714_100000211992 [0,1,0,1,0,0|1,0,0]=3 10799 B12R1.1580 CCCC(=O)N1CCC(C1)(C)C 527a_100000764714_100000211992 [0,1,0,1,0,0|1,0,0]=3 10800 B12R1.1580 CCCC(=O)N1CCC(C1)(C)O 11a_100000718628_100000211992 [0,1,0,1,0,0|1,0,0]=3 10801 B12R1.1580 CCCC(=O)N1CCC(C1)(C)O 240690a_100000718628_100000211992 [0,1,0,1,0,0|1,0,0]=3 10802 B12R1.1580 CCCC(=O)N1CCC(C1)(C)O 527a_100000718628_100000211992 [0,1,0,1,0,0|1,0,0]=3 10803 B12R1.1580 CCCC(=O)N1CCC(C1)(F)F 11a_100000697292_100000211992 [0,1,0,1,0,0|2,0,0]=4 10804 B12R1.1580 CCCC(=O)N1CCC(C1)(F)F 1626a_100000697292_100000211992 [0,1,0,1,0,0|2,0,0]=4 10805 B12R1.1580 CCCC(=O)N1CCC(C1)(F)F 240690a_100000697292_100000211992 [0,1,0,1,0,0|2,0,0]=4 10806 B12R1.1580 CCCC(=O)N1CCC(C1)(F)F 527a_100000697292_100000211992 [0,1,0,1,0,0|2,0,0]=4 10807 B12R1.1580 CCNC(=O)N1CCC(C1)(C)C 2708a_100015525214_100000764714 [0,1,0,1,0,0|2,0,0]=4 10808 B12R1.1580 CCNC(=O)N1CCC(C1)(C)C 273464a_100015525214_100000764714 [0,1,0,1,0,0|2,0,0]=4 10809 B12R1.1580 CCNC(=O)N1CCC(C1)(C)O 2708a_100015525214_100000718628 [0,1,0,1,0,0|2,0,0]=4 10810 B12R1.1580 CCNC(=O)N1CCC(C1)(C)O 273464a_100015525214_100000718628 [0,1,0,1,0,0|2,0,0]=4 10811 B12R1.1580 COCC(=O)N1CCC(C1)(C)C 11a_100000764714_100000210968 [0,1,0,1,0,0|2,0,0]=4 10812 B12R1.1580 COCC(=O)N1CCC(C1)(C)C 1626a_100000764714_100000210968 [0,1,0,1,0,0|2,0,0]=4 10813 B12R1.1580 COCC(=O)N1CCC(C1)(C)C 240690a_100000764714_100000210968 [0,1,0,1,0,0|2,0,0]=4 10814 B12R1.1580 COCC(=O)N1CCC(C1)(C)C 527a_100000764714_100000210968 [0,1,0,1,0,0|2,0,0]=4 10815 B12R1.1580 COCC(=O)N1CCC(C1)(C)O 11a_100000718628_100000210968 [0,1,0,1,0,0|2,0,0]=4 10816 B12R1.1580 COCC(=O)N1CCC(C1)(C)O 240690a_100000718628_100000210968 [0,1,0,1,0,0|2,0,0]=4 10817 B12R1.1580 COCC(=O)N1CCC(C1)(C)O 527a_100000718628_100000210968 [0,1,0,1,0,0|2,0,0]=4 10818 B12R1.1580 CSCC(=O)N1CCC(C1)(C)C 11a_100000764714_100000184570 [0,1,0,1,0,0|2,0,0]=4 10819 B12R1.1580 CSCC(=O)N1CCC(C1)(C)C 1626a_100000764714_100000184570 [0,1,0,1,0,0|2,0,0]=4 10820 B12R1.1580 CSCC(=O)N1CCC(C1)(C)C 240690a_100000764714_100000184570 [0,1,0,1,0,0|2,0,0]=4 10821 B12R1.1580 CSCC(=O)N1CCC(C1)(C)C 527a_100000764714_100000184570 [0,1,0,1,0,0|2,0,0]=4 10822 B12R1.1580 CSCC(=O)N1CCC(C1)(C)O 11a_100000718628_100000184570 [0,1,0,1,0,0|2,0,0]=4 10823 B12R1.1580 CSCC(=O)N1CCC(C1)(C)O 240690a_100000718628_100000184570 [0,1,0,1,0,0|2,0,0]=4 10824 B12R1.1580 CSCC(=O)N1CCC(C1)(C)O 527a_100000718628_100000184570 [0,1,0,1,0,0|2,0,0]=4 10825 B12R1.1608 CCCC(=O)C1(CCN(C1)C)C 1458a_100011814562_100000210303 [0,1,0,1,0,0|2,0,0]=4 10826 B12R1.1812 CC(C)CCC(C)C(=O)C1CC1 1458a_100000210395_100011261404 [0,1,0,1,0,0|1,0,0]=3 10827 B12R1.1812 CC(C)CCC(C)C(=O)C1CO1 1458a_100000701028_100011261404 [0,1,0,1,0,0|2,0,0]=4 10828 B12R1.1812 CC(C)CCN(C)C(=O)C1CC1 11a_100000742789_100000210395 [0,1,0,1,0,0|1,0,0]=3 10829 B12R1.1812 CC(C)CCN(C)C(=O)C1CC1 1626a_100000742789_100000210395 [0,1,0,1,0,0|1,0,0]=3 10830 B12R1.1812 CC(C)CCN(C)C(=O)C1CC1 240690a_100000742789_100000210395 [0,1,0,1,0,0|1,0,0]=3 10831 B12R1.1812 CC(C)CCN(C)C(=O)C1CC1 527a_100000742789_100000210395 [0,1,0,1,0,0|1,0,0]=3 10832 B12R1.1812 CC(C)CCN(C)C(=O)C1CO1 11a_100000742789_100000701028 [0,1,0,1,0,0|2,0,0]=4 10833 B12R1.1812 CC(C)CCN(C)C(=O)C1CO1 1626a_100000742789_100000701028 [0,1,0,1,0,0|2,0,0]=4 10834 B12R1.1812 CC(C)CCN(C)C(=O)C1CO1 240690a_100000742789_100000701028 [0,1,0,1,0,0|2,0,0]=4 10835 B12R1.1812 CC(C)CCN(C)C(=O)C1CO1 527a_100000742789_100000701028 [0,1,0,1,0,0|2,0,0]=4 10836 B12R1.1812 CN(C)CCN(C)C(=O)C1CC1 240690a_100000225618_100000210395 [0,1,0,1,0,0|2,0,0]=4 10837 B12R1.1812 CN(C)CCN(C)C(=O)C1CC1 527a_100000225618_100000210395 [0,1,0,1,0,0|2,0,0]=4 10838 B12R1.38 CCCS(=O)(=O)N1CC[C@H](C1)C 270084a_100016987628_100000211391 [0,1,0,1,0,0|2,0,0]=4 10839 B12R1.38 CCCS(=O)(=O)N1CC[C@H](C1)C 274078a_100016987628_100000211391 [0,1,0,1,0,0|2,0,0]=4 10840 B12R1.38 CCCS(=O)(=O)N1CC[C@H](C1)C 40a_100016987628_100000054278 [0,1,0,1,0,0|2,0,0]=4 10841 B12R1.516 CCCC(C)(C)OCCC1CC1 7a_100000748436_100000764125 [0,1,0,1,0,0|1,0,1]=4 10842 B12R1.516 CCCS(=O)(=O)NCCC1CC1 270084a_100000764129_100000211391 [0,1,0,1,0,0|2,0,0]=4 10843 B12R1.516 CCCS(=O)(=O)NCCC1CC1 274078a_100000764129_100000211391 [0,1,0,1,0,0|2,0,0]=4 10844 B12R1.516 CCCS(=O)(=O)NCCC1CC1 40a_100000764129_100000054278 [0,1,0,1,0,0|2,0,0]=4 10845 B12R1.1348 CC(C)CCNS(=O)(=O)C1CC1 270084a_100000210545_100000750908 [0,1,0,1,0,0|2,0,0]=4 10846 B12R1.1348 CC(C)CCNS(=O)(=O)C1CC1 274078a_100000210545_100000750908 [0,1,0,1,0,0|2,0,0]=4 10847 B12R1.1809 CC(C)CCOC1(CCCC1)C 34a_100000751722_100000210312 [0,1,0,1,0,0|1,0,1]=4 10848 B12R1.1809 CC(C)CCOC1(CCCC1)C 7a_100000751722_100000210626 [0,1,0,1,0,0|1,0,1]=4 10849 B12R1.145 CC(C)C(=O)CN1CCCC1=O 1458a_100000189602_100000210206 [0,1,0,1,0,0|1,0,1]=4 10850 B12R1.145 CC(C)C(C)NC1CCCC1=O 2230a_100000211541_100000211823 [0,1,0,1,0,0|2,0,0]=4 10851 B12R1.145 CC(C)C(C)OC1CCCC1=O 7a_100000748068_100000211823 [0,1,0,1,0,0|2,0,0]=4 10852 B12R1.145 CC(C)N(C)CN1CCCC1=O 269982a_200000211004_100000026320 [0,1,0,1,0,0|2,0,0]=4 10853 B12R1.225 CC(C)C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210206 [0,1,0,1,0,0|1,0,1]=4 10854 B12R1.264 CC(C)[C@@H](N)COC1CCCC1 34a_100011830312_100000179811 [0,1,0,1,0,0|1,0,1]=4 10855 B12R1.311 CCCC(=O)OCN1CCC1C 269982a_100000755817_100000034017 [0,1,0,1,0,0|1,0,0]=3 10856 B12R1.311 CCCC(=O)OCN1CCC1C 34a_100000755817_100000034017 [0,1,0,1,0,0|1,0,0]=3 10857 B12R1.314 CCCC(=O)N1C[C@@H]([C@H](C1)F)O 11a_100020590056_100000211992 [0,1,0,1,0,0|2,0,0]=4 10858 B12R1.314 CCCC(=O)N1C[C@@H]([C@H](C1)F)O 240690a_100020590056_100000211992 [0,1,0,1,0,0|2,0,0]=4 10859 B12R1.314 CCCC(=O)N1C[C@@H]([C@H](C1)F)O 527a_100020590056_100000211992 [0,1,0,1,0,0|2,0,0]=4 10860 B12R1.314 CCCC(=O)N1C[C@H]([C@H](C1)F)F 11a_100103146936_100000211992 [0,1,0,1,0,0|2,0,0]=4 10861 B12R1.314 CCCC(=O)N1C[C@H]([C@H](C1)F)F 1626a_100103146936_100000211992 [0,1,0,1,0,0|2,0,0]=4 10862 B12R1.314 CCCC(=O)N1C[C@H]([C@H](C1)F)F 240690a_100103146936_100000211992 [0,1,0,1,0,0|2,0,0]=4 10863 B12R1.314 CCCC(=O)N1C[C@H]([C@H](C1)F)F 527a_100103146936_100000211992 [0,1,0,1,0,0|2,0,0]=4 10864 B12R1.314 CCCC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100000211992 [0,1,0,1,0,0|1,0,0]=3 10865 B12R1.314 CCCC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100000211992 [0,1,0,1,0,0|1,0,0]=3 10866 B12R1.314 CCCC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100000211992 [0,1,0,1,0,0|1,0,0]=3 10867 B12R1.314 CCCC(=O)N1C[C@H]([C@H](C1)O)O 11a_100015207562_100000211992 [0,1,0,1,0,0|2,0,0]=4 10868 B12R1.314 CCCC(=O)N1C[C@H]([C@H](C1)O)O 240690a_100015207562_100000211992 [0,1,0,1,0,0|2,0,0]=4 10869 B12R1.314 CCCC(=O)N1C[C@H]([C@H](C1)O)O 527a_100015207562_100000211992 [0,1,0,1,0,0|2,0,0]=4 10870 B12R1.314 CCNC(=O)N1C[C@H]([C@H](C1)O)C 2708a_100015525214_200015306588 [0,1,0,1,0,0|2,0,0]=4 10871 B12R1.314 CCNC(=O)N1C[C@H]([C@H](C1)O)C 273464a_100015525214_200015306588 [0,1,0,1,0,0|2,0,0]=4 10872 B12R1.314 COCC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100000210968 [0,1,0,1,0,0|2,0,0]=4 10873 B12R1.314 COCC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100000210968 [0,1,0,1,0,0|2,0,0]=4 10874 B12R1.314 COCC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100000210968 [0,1,0,1,0,0|2,0,0]=4 10875 B12R1.314 CSCC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100000184570 [0,1,0,1,0,0|2,0,0]=4 10876 B12R1.314 CSCC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100000184570 [0,1,0,1,0,0|2,0,0]=4 10877 B12R1.314 CSCC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100000184570 [0,1,0,1,0,0|2,0,0]=4 10878 B12R1.314 C[C@@H]1CN(C[C@@H]1O)C(=O)CCO 240690a_200015306588_100011216618 [0,1,0,1,0,0|2,0,0]=4 10879 B12R1.686 CCCC(=O)CNC(C)C1CC1 2230a_100000700016_100000747444 [0,1,0,1,0,0|2,0,0]=4 10880 B12R1.686 CCCC(=O)COC(C)C1CC1 1458a_200000137917_100000210303 [0,1,0,1,0,0|2,0,0]=4 10881 B12R1.686 CCCC(=O)COC(C)C1CC1 7a_100000744524_100000747444 [0,1,0,1,0,0|2,0,0]=4 10882 B12R1.686 CCCC(=O)NCC(O)C1CC1 11a_100000751198_100000211992 [0,1,0,1,0,0|1,0,0]=3 10883 B12R1.686 CCCC(=O)NCC(O)C1CC1 240690a_100000751198_100000211992 [0,1,0,1,0,0|1,0,0]=3 10884 B12R1.686 CCCC(=O)NCC(O)C1CC1 527a_100000751198_100000211992 [0,1,0,1,0,0|1,0,0]=3 10885 B12R1.686 CCCC(=O)OCC(=O)C1CC1 1458a_100000210395_100000034017 [0,1,0,1,0,0|0,0,1]=3 10886 B12R1.686 CCCC(=O)OCC(=O)C1CO1 1458a_100000701028_100000034017 [0,1,0,1,0,0|1,0,1]=4 10887 B12R1.686 CCCC(=O)OCN(C)C1CC1 2230a_100000226674_100000034017 [0,1,0,1,0,0|1,0,0]=3 10888 B12R1.686 CCCC(=O)OCN(C)C1CC1 269982a_100000226674_100000034017 [0,1,0,1,0,0|1,0,0]=3 10889 B12R1.686 CCCC(C)OC[C@H](N)C1CC1 34a_100020623730_100000766640 [0,1,0,1,0,0|1,0,1]=4 10890 B12R1.686 CCNC(=O)NCC(O)C1CC1 2708a_100015525214_100000751198 [0,1,0,1,0,0|2,0,0]=4 10891 B12R1.686 CCNC(=O)NCC(O)C1CC1 273464a_100000751198_100015525214 [0,1,0,1,0,0|2,0,0]=4 10892 B12R1.686 CCNC(=O)NCC(O)C1CC1 273464a_100015525214_100000751198 [0,1,0,1,0,0|2,0,0]=4 10893 B12R1.686 CCNC(=O)NCC(O)C1CC1 512a_100015525214_100000751198 [0,1,0,1,0,0|2,0,0]=4 10894 B12R1.686 COCC(=O)NCC(O)C1CC1 11a_100000751198_100000210968 [0,1,0,1,0,0|2,0,0]=4 10895 B12R1.686 COCC(=O)NCC(O)C1CC1 240690a_100000751198_100000210968 [0,1,0,1,0,0|2,0,0]=4 10896 B12R1.686 COCC(=O)NCC(O)C1CC1 527a_100000751198_100000210968 [0,1,0,1,0,0|2,0,0]=4 10897 B12R1.686 CSCC(=O)NCC(O)C1CC1 11a_100000751198_100000184570 [0,1,0,1,0,0|2,0,0]=4 10898 B12R1.686 CSCC(=O)NCC(O)C1CC1 240690a_100000751198_100000184570 [0,1,0,1,0,0|2,0,0]=4 10899 B12R1.686 CSCC(=O)NCC(O)C1CC1 527a_100000751198_100000184570 [0,1,0,1,0,0|2,0,0]=4 10900 B12R1.686 O=C(CCO)NCC(O)C1CC1 240690a_100000751198_100011216618 [0,1,0,1,0,0|2,0,0]=4 10901 B12R1.1360 CC(C)C(=O)COC(=O)C1CC1 1458a_100000210198_100000140896 [0,1,0,1,0,0|0,0,1]=3 10902 B12R1.1360 CC(C)C(C)NCC(=O)C1CC1 2230a_100000211541_100000746382 [0,1,0,1,0,0|2,0,0]=4 10903 B12R1.1360 CC(C)C(C)OCC(=O)C1CC1 7a_100000748068_100000746382 [0,1,0,1,0,0|2,0,0]=4 10904 B12R1.1360 CC(C)C(O)CNC(=O)C1CC1 11a_100000759067_100000210395 [0,1,0,1,0,0|1,0,0]=3 10905 B12R1.1360 CC(C)C(O)CNC(=O)C1CC1 240690a_100000759067_100000210395 [0,1,0,1,0,0|1,0,0]=3 10906 B12R1.1360 CC(C)C(O)CNC(=O)C1CC1 527a_100000759067_100000210395 [0,1,0,1,0,0|1,0,0]=3 10907 B12R1.1360 CC(C)C(O)CNC(=O)C1CO1 11a_100000759067_100000701028 [0,1,0,1,0,0|2,0,0]=4 10908 B12R1.1360 CC(C)C(O)CNC(=O)C1CO1 240690a_100000759067_100000701028 [0,1,0,1,0,0|2,0,0]=4 10909 B12R1.1360 CC(C)C(O)CNC(=O)C1CO1 527a_100000759067_100000701028 [0,1,0,1,0,0|2,0,0]=4 10910 B12R1.1360 CC(C)N(C)COC(=O)C1CC1 269982a_200000211004_100000140896 [0,1,0,1,0,0|1,0,0]=3 10911 B12R1.1360 CC(F)C(=O)COC(=O)C1CC1 1458a_100000062450_100000140896 [0,1,0,1,0,0|1,0,1]=4 10912 B12R1.1360 C[C@@H](O)C(=O)COC(=O)C1CC1 1458a_100000717761_100000140896 [0,1,0,1,0,0|1,0,1]=4 10913 B12R1.1360 C[C@H](O)C(=O)COC(=O)C1CC1 1458a_217856618621_100000140896 [0,1,0,1,0,0|1,0,1]=4 10914 B12R1.33 CCC(C)C(=O)C1CCC(C1)O 1458a_100000688591_100000758301 [0,1,0,1,0,0|2,0,0]=4 10915 B12R1.33 CCC(C)C(=O)C1CCN(C1)C 1458a_100000739633_100000758301 [0,1,0,1,0,0|2,0,0]=4 10916 B12R1.33 CCC(C)C(=O)N1CCC(C1)O 240690a_100011215560_100011192722 [0,1,0,1,0,0|2,0,0]=4 10917 B12R1.33 CCC(C)C(=O)N1CCC(C1)O 527a_100011215560_100011192722 [0,1,0,1,0,0|2,0,0]=4 10918 B12R1.33 CCC(C)C(=O)N1CC[C@@H](C1)F 11a_100015203821_100011192722 [0,1,0,1,0,0|2,0,0]=4 10919 B12R1.33 CCC(C)C(=O)N1CC[C@@H](C1)F 1626a_100015203821_100011192722 [0,1,0,1,0,0|2,0,0]=4 10920 B12R1.33 CCC(C)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_100011192722 [0,1,0,1,0,0|2,0,0]=4 10921 B12R1.33 CCC(C)C(=O)N1CC[C@@H](C1)F 527a_100015203821_100011192722 [0,1,0,1,0,0|2,0,0]=4 10922 B12R1.33 CCC(C)C(=O)N1CC[C@H](C1)C 11a_100016987628_100011192722 [0,1,0,1,0,0|1,0,0]=3 10923 B12R1.33 CCC(C)C(=O)N1CC[C@H](C1)C 240690a_100016987628_100011192722 [0,1,0,1,0,0|1,0,0]=3 10924 B12R1.33 CCC(C)C(=O)N1CC[C@H](C1)C 527a_100016987628_100011192722 [0,1,0,1,0,0|1,0,0]=3 10925 B12R1.33 CCC(O)C(=O)N1CCC(C1)O 240690a_100011215560_100011196387 [0,1,0,1,0,0|2,0,0]=4 10926 B12R1.33 CCC(O)C(=O)N1CC[C@@H](C1)F 240690a_100015203821_100011196387 [0,1,0,1,0,0|2,0,0]=4 10927 B12R1.33 CCC(O)C(=O)N1CC[C@H](C1)C 240690a_100016987628_100011196387 [0,1,0,1,0,0|1,0,0]=3 10928 B12R1.33 COC(C)C(=O)N1CC[C@H](C1)C 11a_100016987628_100000743197 [0,1,0,1,0,0|2,0,0]=4 10929 B12R1.33 COC(C)C(=O)N1CC[C@H](C1)C 240690a_100016987628_100000743197 [0,1,0,1,0,0|2,0,0]=4 10930 B12R1.33 COC(C)C(=O)N1CC[C@H](C1)C 527a_100016987628_100000743197 [0,1,0,1,0,0|2,0,0]=4 10931 B12R1.33 CSC(C)C(=O)N1CC[C@H](C1)C 11a_100016987628_100000149566 [0,1,0,1,0,0|2,0,0]=4 10932 B12R1.33 CSC(C)C(=O)N1CC[C@H](C1)C 240690a_100016987628_100000149566 [0,1,0,1,0,0|2,0,0]=4 10933 B12R1.33 CSC(C)C(=O)N1CC[C@H](C1)C 527a_100016987628_100000149566 [0,1,0,1,0,0|2,0,0]=4 10934 B12R1.33 C[C@@H]1CCN(C1)C(=O)C(O)CO 240690a_100016987628_100011215603 [0,1,0,1,0,0|2,0,0]=4 10935 B12R1.469 CCC(C)C(=O)NC1CC(C1)F 11a_100016993743_100011192722 [0,1,0,1,0,0|2,0,0]=4 10936 B12R1.469 CCC(C)C(=O)NC1CC(C1)F 1626a_100016993743_100011192722 [0,1,0,1,0,0|2,0,0]=4 10937 B12R1.469 CCC(C)C(=O)NC1CC(C1)F 240690a_100016993743_100011192722 [0,1,0,1,0,0|2,0,0]=4 10938 B12R1.469 CCC(C)C(=O)NC1CC(C1)F 527a_100016993743_100011192722 [0,1,0,1,0,0|2,0,0]=4 10939 B12R1.469 CCC(C)C(=O)NC1CN(C1)C 240690a_100015196640_100011192722 [0,1,0,1,0,0|2,0,0]=4 10940 B12R1.469 CCC(C)C(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100011192722 [0,1,0,1,0,0|2,0,0]=4 10941 B12R1.469 CCC(C)C(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100011192722 [0,1,0,1,0,0|2,0,0]=4 10942 B12R1.469 CCC(C)C(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100011192722 [0,1,0,1,0,0|2,0,0]=4 10943 B12R1.469 CCC(C)C(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100011192722 [0,1,0,1,0,0|2,0,0]=4 10944 B12R1.469 CCC(O)C(=O)NC1CC(C1)F 240690a_100016993743_100011196387 [0,1,0,1,0,0|2,0,0]=4 10945 B12R1.469 CCC(O)C(=O)NC1CN(C1)C 240690a_100015196640_100011196387 [0,1,0,1,0,0|2,0,0]=4 10946 B12R1.469 CCC(O)C(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100011196387 [0,1,0,1,0,0|2,0,0]=4 10947 B12R1.471 CCC(C)C(=O)CCCC1CO1 1458a_100011192722_100000733510 [0,1,0,1,0,0|2,0,0]=4 10948 B12R1.471 CCC(C)C(=O)CSCC1CC1 1458a_200011316215_100000758301 [0,1,0,1,0,0|2,0,0]=4 10949 B12R1.471 CCC(C)C(=O)NCCC1CC1 1626a_100000764129_100011192722 [0,1,0,1,0,0|1,0,0]=3 10950 B12R1.471 CCC(C)C(=O)NCCC1CC1 240690a_100000764129_100011192722 [0,1,0,1,0,0|1,0,0]=3 10951 B12R1.471 CCC(C)C(=O)NCCC1CC1 527a_100000764129_100011192722 [0,1,0,1,0,0|1,0,0]=3 10952 B12R1.471 CCC(C)C(=O)NNCC1CC1 22a_100000736359_100011192722 [0,1,0,1,0,0|2,0,0]=4 10953 B12R1.471 CCC(C)C(C)OCCC1CC1 7a_100011215189_100000764125 [0,1,0,1,0,0|1,0,1]=4 10954 B12R1.471 CCC(O)C(=O)CCCC1CO1 1458a_100011196387_100000733510 [0,1,0,1,0,0|2,0,0]=4 10955 B12R1.471 CCC(O)C(=O)NCCC1CC1 240690a_100000764129_100011196387 [0,1,0,1,0,0|1,0,0]=3 10956 B12R1.471 CCC(O)C(=O)NNCC1CC1 22a_100000736359_100011196387 [0,1,0,1,0,0|2,0,0]=4 10957 B12R1.471 CCN(C)C(=O)NCCC1CC1 2708a_100000764129_100000225621 [0,1,0,1,0,0|2,0,0]=4 10958 B12R1.471 CCN(C)C(=O)NCCC1CC1 273464a_100000764129_100000225621 [0,1,0,1,0,0|2,0,0]=4 10959 B12R1.471 COC(C)C(=O)NCCC1CC1 1626a_100000764129_100000743197 [0,1,0,1,0,0|2,0,0]=4 10960 B12R1.471 COC(C)C(=O)NCCC1CC1 240690a_100000764129_100000743197 [0,1,0,1,0,0|2,0,0]=4 10961 B12R1.471 COC(C)C(=O)NCCC1CC1 527a_100000764129_100000743197 [0,1,0,1,0,0|2,0,0]=4 10962 B12R1.471 CSC(C)C(=O)NCCC1CC1 1626a_100000764129_100000149566 [0,1,0,1,0,0|2,0,0]=4 10963 B12R1.471 CSC(C)C(=O)NCCC1CC1 240690a_100000764129_100000149566 [0,1,0,1,0,0|2,0,0]=4 10964 B12R1.471 CSC(C)C(=O)NCCC1CC1 527a_100000764129_100000149566 [0,1,0,1,0,0|2,0,0]=4 10965 B12R1.471 O=C(NCCC1CC1)C(O)CO 240690a_100000764129_100011215603 [0,1,0,1,0,0|2,0,0]=4 10966 B12R1.1357 CC(C)CCCC(=O)C1CCC1 1458a_100000209988_100011214892 [0,1,0,1,0,0|1,0,0]=3 10967 B12R1.1357 CC(C)CCCC(=O)C1CCC1 1458a_100011216857_100000749161 [0,1,0,1,0,0|1,0,0]=3 10968 B12R1.1357 CC(C)CCCC(=O)C1CCO1 1458a_100000089072_100011214892 [0,1,0,1,0,0|1,0,0]=3 10969 B12R1.1357 CC(C)CCCC(=O)C1COC1 1458a_100000758290_100011214892 [0,1,0,1,0,0|1,0,0]=3 10970 B12R1.1357 CC(C)CCCC(=O)C1COC1 1458a_100011216857_100000687716 [0,1,0,1,0,0|1,0,0]=3 10971 B12R1.1357 CC(C)CCCC(=O)N1CCC1 11a_100000754969_100011216857 [0,1,0,1,0,0|1,0,0]=3 10972 B12R1.1357 CC(C)CCCC(=O)N1CCC1 240690a_100000754969_100011216857 [0,1,0,1,0,0|1,0,0]=3 10973 B12R1.1357 CC(C)CCCC(=O)N1CCC1 527a_100000754969_100011216857 [0,1,0,1,0,0|1,0,0]=3 10974 B12R1.1357 CC(C)CCNC(=O)C1CCC1 11a_100000210545_100000209988 [0,1,0,1,0,0|1,0,0]=3 10975 B12R1.1357 CC(C)CCNC(=O)C1CCC1 1626a_100000210545_100000209988 [0,1,0,1,0,0|1,0,0]=3 10976 B12R1.1357 CC(C)CCNC(=O)C1CCC1 240690a_100000210545_100000209988 [0,1,0,1,0,0|1,0,0]=3 10977 B12R1.1357 CC(C)CCNC(=O)C1CCC1 527a_100000210545_100000209988 [0,1,0,1,0,0|1,0,0]=3 10978 B12R1.1357 CC(C)CCNC(=O)C1CCO1 11a_100000210545_100000089072 [0,1,0,1,0,0|1,0,0]=3 10979 B12R1.1357 CC(C)CCNC(=O)C1CCO1 1626a_100000210545_100000089072 [0,1,0,1,0,0|1,0,0]=3 10980 B12R1.1357 CC(C)CCNC(=O)C1CCO1 240690a_100000210545_100000089072 [0,1,0,1,0,0|1,0,0]=3 10981 B12R1.1357 CC(C)CCNC(=O)C1CCO1 527a_100000210545_100000089072 [0,1,0,1,0,0|1,0,0]=3 10982 B12R1.1357 CC(C)CCNC(=O)C1COC1 11a_100000210545_100000758290 [0,1,0,1,0,0|1,0,0]=3 10983 B12R1.1357 CC(C)CCNC(=O)C1COC1 1626a_100000210545_100000758290 [0,1,0,1,0,0|1,0,0]=3 10984 B12R1.1357 CC(C)CCNC(=O)C1COC1 240690a_100000210545_100000758290 [0,1,0,1,0,0|1,0,0]=3 10985 B12R1.1357 CC(C)CCNC(=O)C1COC1 527a_100000210545_100000758290 [0,1,0,1,0,0|1,0,0]=3 10986 B12R1.1357 CC(C)CCNC(=O)N1CCC1 2708a_100000210545_100000754969 [0,1,0,1,0,0|1,0,0]=3 10987 B12R1.1357 CC(C)CCNC(=O)N1CCC1 273464a_100000210545_100000754969 [0,1,0,1,0,0|1,0,0]=3 10988 B12R1.1357 CC(C)CCOC(C)C1CCC1 34a_100000766398_100000210312 [0,1,0,1,0,0|1,0,1]=4 10989 B12R1.1357 CC(C)CCOC(C)C1CCC1 7a_100000766398_100000210626 [0,1,0,1,0,0|1,0,1]=4 10990 B12R1.1357 CC(C)CNCC(=O)C1CCC1 2230a_100000210953_100000686122 [0,1,0,1,0,0|2,0,0]=4 10991 B12R1.1357 CC(C)CNCC(=O)C1CCC1 34a_100000210953_100000686122 [0,1,0,1,0,0|2,0,0]=4 10992 B12R1.1357 CC(C)CNCC(=O)N1CCC1 2230a_100000210953_100000185095 [0,1,0,1,0,0|2,0,0]=4 10993 B12R1.1357 CC(C)CNCC(=O)N1CCC1 34a_100000210953_100000185095 [0,1,0,1,0,0|2,0,0]=4 10994 B12R1.1357 CC(C)CNNC(=O)C1CCC1 22a_100000696102_100000209988 [0,1,0,1,0,0|2,0,0]=4 10995 B12R1.1357 CC(C)CNNC(=O)C1CCO1 22a_100000696102_100000089072 [0,1,0,1,0,0|2,0,0]=4 10996 B12R1.1357 CC(C)CNNC(=O)C1COC1 22a_100000696102_100000758290 [0,1,0,1,0,0|2,0,0]=4 10997 B12R1.1357 CC(C)COCC(=O)C1CCC1 1458a_100011223364_100000749161 [0,1,0,1,0,0|2,0,0]=4 10998 B12R1.1357 CC(C)COCC(=O)C1CCC1 34a_100000210257_100000686122 [0,1,0,1,0,0|2,0,0]=4 10999 B12R1.1357 CC(C)COCC(=O)C1COC1 1458a_100011223364_100000687716 [0,1,0,1,0,0|2,0,0]=4 11000 B12R1.1357 CC(C)COCC(=O)N1CCC1 11a_100000754969_100011223364 [0,1,0,1,0,0|2,0,0]=4 11001 B12R1.1357 CC(C)COCC(=O)N1CCC1 240690a_100000754969_100011223364 [0,1,0,1,0,0|2,0,0]=4 11002 B12R1.1357 CC(C)COCC(=O)N1CCC1 34a_100000210257_100000185095 [0,1,0,1,0,0|2,0,0]=4 11003 B12R1.1357 CC(C)COCC(=O)N1CCC1 527a_100000754969_100011223364 [0,1,0,1,0,0|2,0,0]=4 11004 B12R1.1357 CC(C)CSCC(=O)C1CCC1 62a_100000210624_100000686122 [0,1,0,1,0,0|2,0,0]=4 11005 B12R1.1357 CC(C)CSCC(=O)C1CCC1 62a_100000686122_100000210760 [0,1,0,1,0,0|2,0,0]=4 11006 B12R1.1357 CC(C)CSCC(=O)N1CCC1 62a_100000185095_100000210760 [0,1,0,1,0,0|2,0,0]=4 11007 B12R1.1357 CC(C)CSCC(=O)N1CCC1 62a_100000210624_100000185095 [0,1,0,1,0,0|2,0,0]=4 11008 B12R1.1357 CC(C)OCCC(=O)C1CCC1 1458a_100000209988_100000211751 [0,1,0,1,0,0|2,0,0]=4 11009 B12R1.1357 CC(C)OCCC(=O)C1CCO1 1458a_100000089072_100000211751 [0,1,0,1,0,0|2,0,0]=4 11010 B12R1.1357 CC(C)OCCC(=O)C1COC1 1458a_100000758290_100000211751 [0,1,0,1,0,0|2,0,0]=4 11011 B12R1.1357 CC(C)SCCC(=O)C1CCC1 1458a_100000209988_100000730970 [0,1,0,1,0,0|2,0,0]=4 11012 B12R1.1357 CC(C)SCCC(=O)C1CCO1 1458a_100000089072_100000730970 [0,1,0,1,0,0|2,0,0]=4 11013 B12R1.1357 CC(C)SCCC(=O)C1COC1 1458a_100000758290_100000730970 [0,1,0,1,0,0|2,0,0]=4 11014 B12R1.1357 CC(O)CCCC(=O)C1CCC1 1458a_100000209988_200000718107 [0,1,0,1,0,0|2,0,0]=4 11015 B12R1.1357 CC(O)CCCC(=O)C1CCO1 1458a_100000089072_200000718107 [0,1,0,1,0,0|2,0,0]=4 11016 B12R1.1357 CC(O)CCCC(=O)C1COC1 1458a_100000758290_200000718107 [0,1,0,1,0,0|2,0,0]=4 11017 B12R1.1357 CC(O)CCCC(=O)N1CCC1 527a_100000754969_100000761597 [0,1,0,1,0,0|2,0,0]=4 11018 B12R1.1357 CC(O)CCNC(=O)C1CCC1 240690a_200000755665_100000209988 [0,1,0,1,0,0|2,0,0]=4 11019 B12R1.1357 CC(O)CCNC(=O)C1CCC1 527a_200000755665_100000209988 [0,1,0,1,0,0|2,0,0]=4 11020 B12R1.1357 CC(O)CCNC(=O)C1CCO1 240690a_200000755665_100000089072 [0,1,0,1,0,0|2,0,0]=4 11021 B12R1.1357 CC(O)CCNC(=O)C1CCO1 527a_200000755665_100000089072 [0,1,0,1,0,0|2,0,0]=4 11022 B12R1.1357 CC(O)CCNC(=O)C1COC1 240690a_200000755665_100000758290 [0,1,0,1,0,0|2,0,0]=4 11023 B12R1.1357 CC(O)CCNC(=O)C1COC1 527a_200000755665_100000758290 [0,1,0,1,0,0|2,0,0]=4 11024 B12R1.1357 CC(O)CCNC(=O)N1CCC1 273464a_200000755665_100000754969 [0,1,0,1,0,0|2,0,0]=4 11025 B12R1.1357 CN(C)CCCC(=O)C1CCC1 1458a_100000209988_100000695564 [0,1,0,1,0,0|2,0,0]=4 11026 B12R1.1357 CN(C)CCCC(=O)C1CCO1 1458a_100000089072_100000695564 [0,1,0,1,0,0|2,0,0]=4 11027 B12R1.1357 CN(C)CCCC(=O)C1COC1 1458a_100000758290_100000695564 [0,1,0,1,0,0|2,0,0]=4 11028 B12R1.1357 CN(C)CCCC(=O)N1CCC1 11a_100000754969_100000740757 [0,1,0,1,0,0|2,0,0]=4 11029 B12R1.1357 CN(C)CCCC(=O)N1CCC1 240690a_100000754969_100000740757 [0,1,0,1,0,0|2,0,0]=4 11030 B12R1.1357 CN(C)CCNC(=O)C1CCC1 240690a_100000210585_100000209988 [0,1,0,1,0,0|2,0,0]=4 11031 B12R1.1357 CN(C)CCNC(=O)C1CCC1 527a_100000210585_100000209988 [0,1,0,1,0,0|2,0,0]=4 11032 B12R1.1357 CN(C)CCNC(=O)C1CCO1 240690a_100000210585_100000089072 [0,1,0,1,0,0|2,0,0]=4 11033 B12R1.1357 CN(C)CCNC(=O)C1CCO1 527a_100000210585_100000089072 [0,1,0,1,0,0|2,0,0]=4 11034 B12R1.1357 CN(C)CCNC(=O)C1COC1 240690a_100000210585_100000758290 [0,1,0,1,0,0|2,0,0]=4 11035 B12R1.1357 CN(C)CCNC(=O)C1COC1 527a_100000210585_100000758290 [0,1,0,1,0,0|2,0,0]=4 11036 B12R1.1357 CN(C)CCNC(=O)N1CCC1 273464a_100000210585_100000754969 [0,1,0,1,0,0|2,0,0]=4 11037 B12R1.1358 CC(C)CCCC(=O)C1(CC1)C 1458a_100000756474_100011214892 [0,1,0,1,0,0|1,0,0]=3 11038 B12R1.1358 CC(C)CCCC(=O)C1(CC1)F 1458a_100000055089_100011214892 [0,1,0,1,0,0|1,0,0]=3 11039 B12R1.1358 CC(C)CCCC(=O)C1(CC1)O 1458a_100000241761_100011214892 [0,1,0,1,0,0|1,0,0]=3 11040 B12R1.1358 CC(C)CCNC(=O)C1(CC1)C 11a_100000210545_100000756474 [0,1,0,1,0,0|1,0,0]=3 11041 B12R1.1358 CC(C)CCNC(=O)C1(CC1)C 1626a_100000210545_100000756474 [0,1,0,1,0,0|1,0,0]=3 11042 B12R1.1358 CC(C)CCNC(=O)C1(CC1)C 240690a_100000210545_100000756474 [0,1,0,1,0,0|1,0,0]=3 11043 B12R1.1358 CC(C)CCNC(=O)C1(CC1)C 527a_100000210545_100000756474 [0,1,0,1,0,0|1,0,0]=3 11044 B12R1.1358 CC(C)CCNC(=O)C1(CC1)F 11a_100000210545_100000055089 [0,1,0,1,0,0|1,0,0]=3 11045 B12R1.1358 CC(C)CCNC(=O)C1(CC1)F 1626a_100000210545_100000055089 [0,1,0,1,0,0|1,0,0]=3 11046 B12R1.1358 CC(C)CCNC(=O)C1(CC1)F 240690a_100000210545_100000055089 [0,1,0,1,0,0|1,0,0]=3 11047 B12R1.1358 CC(C)CCNC(=O)C1(CC1)F 527a_100000210545_100000055089 [0,1,0,1,0,0|1,0,0]=3 11048 B12R1.1358 CC(C)CCNC(=O)C1(CC1)O 240690a_100000210545_100000241761 [0,1,0,1,0,0|1,0,0]=3 11049 B12R1.1358 CC(C)CNNC(=O)C1(CC1)C 22a_100000696102_100000756474 [0,1,0,1,0,0|2,0,0]=4 11050 B12R1.1358 CC(C)CNNC(=O)C1(CC1)F 22a_100000696102_100000055089 [0,1,0,1,0,0|2,0,0]=4 11051 B12R1.1358 CC(C)CNNC(=O)C1(CC1)O 22a_100000696102_100000241761 [0,1,0,1,0,0|2,0,0]=4 11052 B12R1.1358 CC(C)OCCC(=O)C1(CC1)C 1458a_100000756474_100000211751 [0,1,0,1,0,0|2,0,0]=4 11053 B12R1.1358 CC(C)OCCC(=O)C1(CC1)F 1458a_100000055089_100000211751 [0,1,0,1,0,0|2,0,0]=4 11054 B12R1.1358 CC(C)OCCC(=O)C1(CC1)O 1458a_100000241761_100000211751 [0,1,0,1,0,0|2,0,0]=4 11055 B12R1.1358 CC(C)SCCC(=O)C1(CC1)C 1458a_100000756474_100000730970 [0,1,0,1,0,0|2,0,0]=4 11056 B12R1.1358 CC(C)SCCC(=O)C1(CC1)F 1458a_100000055089_100000730970 [0,1,0,1,0,0|2,0,0]=4 11057 B12R1.1358 CC(C)SCCC(=O)C1(CC1)O 1458a_100000241761_100000730970 [0,1,0,1,0,0|2,0,0]=4 11058 B12R1.1358 CC(O)CCCC(=O)C1(CC1)C 1458a_100000756474_200000718107 [0,1,0,1,0,0|2,0,0]=4 11059 B12R1.1358 CC(O)CCCC(=O)C1(CC1)F 1458a_100000055089_200000718107 [0,1,0,1,0,0|2,0,0]=4 11060 B12R1.1358 CC(O)CCCC(=O)C1(CC1)O 1458a_100000241761_200000718107 [0,1,0,1,0,0|2,0,0]=4 11061 B12R1.1358 CC(O)CCNC(=O)C1(CC1)C 240690a_200000755665_100000756474 [0,1,0,1,0,0|2,0,0]=4 11062 B12R1.1358 CC(O)CCNC(=O)C1(CC1)C 527a_200000755665_100000756474 [0,1,0,1,0,0|2,0,0]=4 11063 B12R1.1358 CC(O)CCNC(=O)C1(CC1)F 240690a_200000755665_100000055089 [0,1,0,1,0,0|2,0,0]=4 11064 B12R1.1358 CC(O)CCNC(=O)C1(CC1)F 527a_200000755665_100000055089 [0,1,0,1,0,0|2,0,0]=4 11065 B12R1.1358 CC(O)CCNC(=O)C1(CC1)O 240690a_200000755665_100000241761 [0,1,0,1,0,0|2,0,0]=4 11066 B12R1.1358 CN(C)CCCC(=O)C1(CC1)C 1458a_100000756474_100000695564 [0,1,0,1,0,0|2,0,0]=4 11067 B12R1.1358 CN(C)CCCC(=O)C1(CC1)F 1458a_100000055089_100000695564 [0,1,0,1,0,0|2,0,0]=4 11068 B12R1.1358 CN(C)CCCC(=O)C1(CC1)O 1458a_100000241761_100000695564 [0,1,0,1,0,0|2,0,0]=4 11069 B12R1.1358 CN(C)CCNC(=O)C1(CC1)C 240690a_100000210585_100000756474 [0,1,0,1,0,0|2,0,0]=4 11070 B12R1.1358 CN(C)CCNC(=O)C1(CC1)C 527a_100000210585_100000756474 [0,1,0,1,0,0|2,0,0]=4 11071 B12R1.1358 CN(C)CCNC(=O)C1(CC1)F 240690a_100000210585_100000055089 [0,1,0,1,0,0|2,0,0]=4 11072 B12R1.1358 CN(C)CCNC(=O)C1(CC1)F 527a_100000210585_100000055089 [0,1,0,1,0,0|2,0,0]=4 11073 B12R1.1358 CN(C)CCNC(=O)C1(CC1)O 240690a_100000210585_100000241761 [0,1,0,1,0,0|2,0,0]=4 11074 B12R1.29 C#CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000692101 [0,1,0,1,0,0|1,0,1]=4 11075 B12R1.29 C#CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000692101 [0,1,0,1,0,0|1,0,1]=4 11076 B12R1.29 C#CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000692101 [0,1,0,1,0,0|1,0,1]=4 11077 B12R1.29 C=CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000749702 [0,1,0,1,0,0|1,0,1]=4 11078 B12R1.29 C=CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000749702 [0,1,0,1,0,0|1,0,1]=4 11079 B12R1.29 C=CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000749702 [0,1,0,1,0,0|1,0,1]=4 11080 B12R1.29 CC=CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100121576822 [0,1,0,1,0,0|1,0,1]=4 11081 B12R1.29 CC=CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100121576822 [0,1,0,1,0,0|1,0,1]=4 11082 B12R1.29 CC=CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100121576822 [0,1,0,1,0,0|1,0,1]=4 11083 B12R1.29 CCC=CC(=O)N1CC[C@H](C1)C 11a_100016987628_100000212282 [0,1,0,1,0,0|1,0,1]=4 11084 B12R1.29 CCC=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000212282 [0,1,0,1,0,0|1,0,1]=4 11085 B12R1.29 CCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210211 [0,1,0,1,0,0|2,0,0]=4 11086 B12R1.29 CCCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210211 [0,1,0,1,0,0|2,0,0]=4 11087 B12R1.29 CCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000210183 [0,1,0,1,0,0|2,0,0]=4 11088 B12R1.29 CCCCC(=O)N1CCC(C1)O 527a_100011215560_100000210183 [0,1,0,1,0,0|2,0,0]=4 11089 B12R1.29 CCCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210183 [0,1,0,1,0,0|2,0,0]=4 11090 B12R1.29 CCCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210183 [0,1,0,1,0,0|2,0,0]=4 11091 B12R1.29 CCCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210183 [0,1,0,1,0,0|2,0,0]=4 11092 B12R1.29 CCCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210183 [0,1,0,1,0,0|2,0,0]=4 11093 B12R1.29 CCCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210183 [0,1,0,1,0,0|1,0,0]=3 11094 B12R1.29 CCCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210183 [0,1,0,1,0,0|1,0,0]=3 11095 B12R1.29 CCCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210183 [0,1,0,1,0,0|1,0,0]=3 11096 B12R1.29 CCCNC(=O)C1CCC(C1)O 1626a_100020643023_100000688591 [0,1,0,1,0,0|2,0,0]=4 11097 B12R1.29 CCCNC(=O)C1CCC(C1)O 240690a_100020643023_100000688591 [0,1,0,1,0,0|2,0,0]=4 11098 B12R1.29 CCCNC(=O)C1CCN(C1)C 240690a_100020643023_100000739633 [0,1,0,1,0,0|2,0,0]=4 11099 B12R1.29 CCCNC(=O)C1CCN(C1)C 527a_100020643023_100000739633 [0,1,0,1,0,0|2,0,0]=4 11100 B12R1.29 CCCNC(=O)N1CCC(C1)O 2708a_100020643023_100011215560 [0,1,0,1,0,0|2,0,0]=4 11101 B12R1.29 CCCNC(=O)N1CCC(C1)O 273464a_100020643023_100011215560 [0,1,0,1,0,0|2,0,0]=4 11102 B12R1.29 CCCNC(=O)N1CC[C@@H](C1)F 2708a_100020643023_100015203821 [0,1,0,1,0,0|2,0,0]=4 11103 B12R1.29 CCCNC(=O)N1CC[C@@H](C1)F 273464a_100020643023_100015203821 [0,1,0,1,0,0|2,0,0]=4 11104 B12R1.29 CCCNC(=O)N1CC[C@H](C1)C 2708a_100020643023_100016987628 [0,1,0,1,0,0|1,0,0]=3 11105 B12R1.29 CCCNC(=O)N1CC[C@H](C1)C 273464a_100020643023_100016987628 [0,1,0,1,0,0|1,0,0]=3 11106 B12R1.29 CCOCC(=O)N1CCC(C1)O 240690a_100011215560_100000211967 [0,1,0,1,0,0|2,0,0]=4 11107 B12R1.29 CCOCC(=O)N1CCC(C1)O 527a_100011215560_100000211967 [0,1,0,1,0,0|2,0,0]=4 11108 B12R1.29 CCOCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000211967 [0,1,0,1,0,0|2,0,0]=4 11109 B12R1.29 CCOCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000211967 [0,1,0,1,0,0|2,0,0]=4 11110 B12R1.29 CCOCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211967 [0,1,0,1,0,0|2,0,0]=4 11111 B12R1.29 CCOCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000211967 [0,1,0,1,0,0|2,0,0]=4 11112 B12R1.29 CCOCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211967 [0,1,0,1,0,0|1,0,0]=3 11113 B12R1.29 CCOCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211967 [0,1,0,1,0,0|1,0,0]=3 11114 B12R1.29 CCOCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211967 [0,1,0,1,0,0|1,0,0]=3 11115 B12R1.29 CCSCC(=O)N1CCC(C1)O 240690a_100011215560_100000230394 [0,1,0,1,0,0|2,0,0]=4 11116 B12R1.29 CCSCC(=O)N1CCC(C1)O 527a_100011215560_100000230394 [0,1,0,1,0,0|2,0,0]=4 11117 B12R1.29 CCSCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000230394 [0,1,0,1,0,0|2,0,0]=4 11118 B12R1.29 CCSCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000230394 [0,1,0,1,0,0|2,0,0]=4 11119 B12R1.29 CCSCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000230394 [0,1,0,1,0,0|2,0,0]=4 11120 B12R1.29 CCSCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000230394 [0,1,0,1,0,0|2,0,0]=4 11121 B12R1.29 CCSCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000230394 [0,1,0,1,0,0|1,0,0]=3 11122 B12R1.29 CCSCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000230394 [0,1,0,1,0,0|1,0,0]=3 11123 B12R1.29 CCSCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000230394 [0,1,0,1,0,0|1,0,0]=3 11124 B12R1.29 CN1CCC(C1)C(=O)CCCF 1458a_100000739633_100011934791 [0,1,0,1,0,0|2,0,0]=4 11125 B12R1.29 CN1CCC(C1)C(=O)CCCO 1458a_100000739633_100011215043 [0,1,0,1,0,0|2,0,0]=4 11126 B12R1.29 COCCC(=O)C1CCC(C1)O 1458a_100000688591_100000233755 [0,1,0,1,0,0|2,0,0]=4 11127 B12R1.29 COCCC(=O)C1CCN(C1)C 1458a_100000739633_100000233755 [0,1,0,1,0,0|2,0,0]=4 11128 B12R1.29 COCCC(=O)N1CCC(C1)O 240690a_100011215560_100000749529 [0,1,0,1,0,0|2,0,0]=4 11129 B12R1.29 COCCC(=O)N1CCC(C1)O 527a_100011215560_100000749529 [0,1,0,1,0,0|2,0,0]=4 11130 B12R1.29 COCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000749529 [0,1,0,1,0,0|2,0,0]=4 11131 B12R1.29 COCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000749529 [0,1,0,1,0,0|2,0,0]=4 11132 B12R1.29 COCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000749529 [0,1,0,1,0,0|2,0,0]=4 11133 B12R1.29 COCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000749529 [0,1,0,1,0,0|2,0,0]=4 11134 B12R1.29 COCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000749529 [0,1,0,1,0,0|1,0,0]=3 11135 B12R1.29 COCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000749529 [0,1,0,1,0,0|1,0,0]=3 11136 B12R1.29 COCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000749529 [0,1,0,1,0,0|1,0,0]=3 11137 B12R1.29 CSCCC(=O)C1CCC(C1)O 1458a_100000688591_100000751147 [0,1,0,1,0,0|2,0,0]=4 11138 B12R1.29 CSCCC(=O)C1CCN(C1)C 1458a_100000739633_100000751147 [0,1,0,1,0,0|2,0,0]=4 11139 B12R1.29 CSCCC(=O)N1CCC(C1)O 240690a_100011215560_100000174002 [0,1,0,1,0,0|2,0,0]=4 11140 B12R1.29 CSCCC(=O)N1CCC(C1)O 527a_100011215560_100000174002 [0,1,0,1,0,0|2,0,0]=4 11141 B12R1.29 CSCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000174002 [0,1,0,1,0,0|2,0,0]=4 11142 B12R1.29 CSCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000174002 [0,1,0,1,0,0|2,0,0]=4 11143 B12R1.29 CSCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000174002 [0,1,0,1,0,0|2,0,0]=4 11144 B12R1.29 CSCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000174002 [0,1,0,1,0,0|2,0,0]=4 11145 B12R1.29 CSCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000174002 [0,1,0,1,0,0|1,0,0]=3 11146 B12R1.29 CSCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000174002 [0,1,0,1,0,0|1,0,0]=3 11147 B12R1.29 CSCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000174002 [0,1,0,1,0,0|1,0,0]=3 11148 B12R1.29 C[C@@H]1CCN(C1)C(=O)CCC#N 11a_100016987628_100011934036 [0,1,0,1,0,0|1,0,1]=4 11149 B12R1.29 C[C@@H]1CCN(C1)C(=O)CCC#N 240690a_100016987628_100011934036 [0,1,0,1,0,0|1,0,1]=4 11150 B12R1.29 C[C@@H]1CCN(C1)C(=O)CCC#N 527a_100016987628_100011934036 [0,1,0,1,0,0|1,0,1]=4 11151 B12R1.29 C[C@@H]1CCN(C1)C(=O)NCCF 273464a_100000724931_100016987628 [0,1,0,1,0,0|2,0,0]=4 11152 B12R1.29 C[C@@H]1CCN(C1)C(=O)NCCO 273464a_100000210304_100016987628 [0,1,0,1,0,0|2,0,0]=4 11153 B12R1.29 O=C(CCCF)C1CCC(C1)O 1458a_100000688591_100011934791 [0,1,0,1,0,0|2,0,0]=4 11154 B12R1.29 O=C(CCCO)C1CCC(C1)O 1458a_100000688591_100011215043 [0,1,0,1,0,0|2,0,0]=4 11155 B12R1.462 CCCCC(=O)NC1CC(C1)F 11a_100016993743_100000210183 [0,1,0,1,0,0|2,0,0]=4 11156 B12R1.462 CCCCC(=O)NC1CC(C1)F 1626a_100016993743_100000210183 [0,1,0,1,0,0|2,0,0]=4 11157 B12R1.462 CCCCC(=O)NC1CC(C1)F 240690a_100016993743_100000210183 [0,1,0,1,0,0|2,0,0]=4 11158 B12R1.462 CCCCC(=O)NC1CC(C1)F 527a_100016993743_100000210183 [0,1,0,1,0,0|2,0,0]=4 11159 B12R1.462 CCCCC(=O)NC1CN(C1)C 240690a_100015196640_100000210183 [0,1,0,1,0,0|2,0,0]=4 11160 B12R1.462 CCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210183 [0,1,0,1,0,0|2,0,0]=4 11161 B12R1.462 CCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210183 [0,1,0,1,0,0|2,0,0]=4 11162 B12R1.462 CCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210183 [0,1,0,1,0,0|2,0,0]=4 11163 B12R1.462 CCCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210183 [0,1,0,1,0,0|2,0,0]=4 11164 B12R1.462 CCCNC(=O)CN1CC(C1)C 2230a_100000702820_100000183358 [0,1,0,1,0,0|2,0,0]=4 11165 B12R1.462 CCCNC(=O)CN1CC(C1)C 269982a_100000702820_100000183358 [0,1,0,1,0,0|2,0,0]=4 11166 B12R1.462 CCCNC(=O)CN1CC(C1)C 34a_100000702820_100000183358 [0,1,0,1,0,0|2,0,0]=4 11167 B12R1.462 CCCNC(=O)NC1CC(C1)F 2708a_100016993743_100020643023 [0,1,0,1,0,0|2,0,0]=4 11168 B12R1.462 CCCNC(=O)NC1CC(C1)F 2708a_100020643023_100016993743 [0,1,0,1,0,0|2,0,0]=4 11169 B12R1.462 CCCNC(=O)NC1CC(C1)F 273464a_100016993743_100020643023 [0,1,0,1,0,0|2,0,0]=4 11170 B12R1.462 CCCNC(=O)NC1CC(C1)F 273464a_100020643023_100016993743 [0,1,0,1,0,0|2,0,0]=4 11171 B12R1.462 CCCNC(=O)NC1CC(C1)F 512a_100016993743_100020643023 [0,1,0,1,0,0|2,0,0]=4 11172 B12R1.462 CCCNC(=O)NC1CC(C1)F 512a_100020643023_100016993743 [0,1,0,1,0,0|2,0,0]=4 11173 B12R1.462 CCCNC(=O)NC1CN(C1)C 2708a_100015196640_100020643023 [0,1,0,1,0,0|2,0,0]=4 11174 B12R1.462 CCCNC(=O)NC1CN(C1)C 2708a_100020643023_100015196640 [0,1,0,1,0,0|2,0,0]=4 11175 B12R1.462 CCCNC(=O)NC1CN(C1)C 273464a_100015196640_100020643023 [0,1,0,1,0,0|2,0,0]=4 11176 B12R1.462 CCCNC(=O)NC1CN(C1)C 273464a_100020643023_100015196640 [0,1,0,1,0,0|2,0,0]=4 11177 B12R1.462 CCCNC(=O)NC1CN(C1)C 512a_100015196640_100020643023 [0,1,0,1,0,0|2,0,0]=4 11178 B12R1.462 CCCNC(=O)NC1CN(C1)C 512a_100020643023_100015196640 [0,1,0,1,0,0|2,0,0]=4 11179 B12R1.462 CCCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100020643023_100020629032 [0,1,0,1,0,0|2,0,0]=4 11180 B12R1.462 CCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100020643023 [0,1,0,1,0,0|2,0,0]=4 11181 B12R1.462 CCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020643023_100020629032 [0,1,0,1,0,0|2,0,0]=4 11182 B12R1.462 CCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100020643023 [0,1,0,1,0,0|2,0,0]=4 11183 B12R1.462 CCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020643023_100020629032 [0,1,0,1,0,0|2,0,0]=4 11184 B12R1.462 CCCOC(=O)CN1CC(C1)C 2230a_100000702820_200011215008 [0,1,0,1,0,0|2,0,0]=4 11185 B12R1.462 CCCOC(=O)CN1CC(C1)C 269982a_100000702820_200011215008 [0,1,0,1,0,0|2,0,0]=4 11186 B12R1.462 CCCOC(=O)CN1CC(C1)C 34a_100000702820_200011215008 [0,1,0,1,0,0|2,0,0]=4 11187 B12R1.462 CCOCC(=O)NC1CC(C1)F 11a_100016993743_100000211967 [0,1,0,1,0,0|2,0,0]=4 11188 B12R1.462 CCOCC(=O)NC1CC(C1)F 1626a_100016993743_100000211967 [0,1,0,1,0,0|2,0,0]=4 11189 B12R1.462 CCOCC(=O)NC1CC(C1)F 240690a_100016993743_100000211967 [0,1,0,1,0,0|2,0,0]=4 11190 B12R1.462 CCOCC(=O)NC1CC(C1)F 527a_100016993743_100000211967 [0,1,0,1,0,0|2,0,0]=4 11191 B12R1.462 CCOCC(=O)NC1CN(C1)C 240690a_100015196640_100000211967 [0,1,0,1,0,0|2,0,0]=4 11192 B12R1.462 CCOCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000211967 [0,1,0,1,0,0|2,0,0]=4 11193 B12R1.462 CCOCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000211967 [0,1,0,1,0,0|2,0,0]=4 11194 B12R1.462 CCOCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000211967 [0,1,0,1,0,0|2,0,0]=4 11195 B12R1.462 CCOCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000211967 [0,1,0,1,0,0|2,0,0]=4 11196 B12R1.462 CCSCC(=O)NC1CC(C1)F 11a_100016993743_100000230394 [0,1,0,1,0,0|2,0,0]=4 11197 B12R1.462 CCSCC(=O)NC1CC(C1)F 1626a_100016993743_100000230394 [0,1,0,1,0,0|2,0,0]=4 11198 B12R1.462 CCSCC(=O)NC1CC(C1)F 240690a_100016993743_100000230394 [0,1,0,1,0,0|2,0,0]=4 11199 B12R1.462 CCSCC(=O)NC1CC(C1)F 527a_100016993743_100000230394 [0,1,0,1,0,0|2,0,0]=4 11200 B12R1.462 CCSCC(=O)NC1CN(C1)C 240690a_100015196640_100000230394 [0,1,0,1,0,0|2,0,0]=4 11201 B12R1.462 CCSCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000230394 [0,1,0,1,0,0|2,0,0]=4 11202 B12R1.462 CCSCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000230394 [0,1,0,1,0,0|2,0,0]=4 11203 B12R1.462 CCSCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000230394 [0,1,0,1,0,0|2,0,0]=4 11204 B12R1.462 CCSCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000230394 [0,1,0,1,0,0|2,0,0]=4 11205 B12R1.462 COCCC(=O)NC1CC(C1)F 11a_100016993743_100000749529 [0,1,0,1,0,0|2,0,0]=4 11206 B12R1.462 COCCC(=O)NC1CC(C1)F 1626a_100016993743_100000749529 [0,1,0,1,0,0|2,0,0]=4 11207 B12R1.462 COCCC(=O)NC1CC(C1)F 240690a_100016993743_100000749529 [0,1,0,1,0,0|2,0,0]=4 11208 B12R1.462 COCCC(=O)NC1CC(C1)F 527a_100016993743_100000749529 [0,1,0,1,0,0|2,0,0]=4 11209 B12R1.462 COCCC(=O)NC1CN(C1)C 240690a_100015196640_100000749529 [0,1,0,1,0,0|2,0,0]=4 11210 B12R1.462 COCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000749529 [0,1,0,1,0,0|2,0,0]=4 11211 B12R1.462 COCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000749529 [0,1,0,1,0,0|2,0,0]=4 11212 B12R1.462 COCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000749529 [0,1,0,1,0,0|2,0,0]=4 11213 B12R1.462 COCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000749529 [0,1,0,1,0,0|2,0,0]=4 11214 B12R1.462 CSCCC(=O)NC1CC(C1)F 11a_100016993743_100000174002 [0,1,0,1,0,0|2,0,0]=4 11215 B12R1.462 CSCCC(=O)NC1CC(C1)F 1626a_100016993743_100000174002 [0,1,0,1,0,0|2,0,0]=4 11216 B12R1.462 CSCCC(=O)NC1CC(C1)F 240690a_100016993743_100000174002 [0,1,0,1,0,0|2,0,0]=4 11217 B12R1.462 CSCCC(=O)NC1CC(C1)F 527a_100016993743_100000174002 [0,1,0,1,0,0|2,0,0]=4 11218 B12R1.462 CSCCC(=O)NC1CN(C1)C 240690a_100015196640_100000174002 [0,1,0,1,0,0|2,0,0]=4 11219 B12R1.462 CSCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000174002 [0,1,0,1,0,0|2,0,0]=4 11220 B12R1.462 CSCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000174002 [0,1,0,1,0,0|2,0,0]=4 11221 B12R1.462 CSCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000174002 [0,1,0,1,0,0|2,0,0]=4 11222 B12R1.462 CSCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000174002 [0,1,0,1,0,0|2,0,0]=4 11223 B12R1.464 C#CCCC(=O)NCCC1CC1 1626a_100000764129_100000692101 [0,1,0,1,0,0|1,0,1]=4 11224 B12R1.464 C#CCCC(=O)NCCC1CC1 240690a_100000764129_100000692101 [0,1,0,1,0,0|1,0,1]=4 11225 B12R1.464 C#CCCC(=O)NCCC1CC1 527a_100000764129_100000692101 [0,1,0,1,0,0|1,0,1]=4 11226 B12R1.464 C=CCCC(=O)NCCC1CC1 1626a_100000764129_100000749702 [0,1,0,1,0,0|1,0,1]=4 11227 B12R1.464 C=CCCC(=O)NCCC1CC1 240690a_100000764129_100000749702 [0,1,0,1,0,0|1,0,1]=4 11228 B12R1.464 C=CCCC(=O)NCCC1CC1 527a_100000764129_100000749702 [0,1,0,1,0,0|1,0,1]=4 11229 B12R1.464 CC(CCCCl)OCCC1CC1 34a_200000718107_100000694398 [0,1,0,1,0,0|1,0,1]=4 11230 B12R1.464 CC(CCCCl)OCCC1CC1 7a_200000718107_100000764125 [0,1,0,1,0,0|1,0,1]=4 11231 B12R1.464 CC=CCC(=O)NCCC1CC1 1626a_100000764129_100121576822 [0,1,0,1,0,0|1,0,1]=4 11232 B12R1.464 CC=CCC(=O)NCCC1CC1 240690a_100000764129_100121576822 [0,1,0,1,0,0|1,0,1]=4 11233 B12R1.464 CC=CCC(=O)NCCC1CC1 527a_100000764129_100121576822 [0,1,0,1,0,0|1,0,1]=4 11234 B12R1.464 CCC=CC(=O)NCCC1CC1 1626a_100000764129_100000212282 [0,1,0,1,0,0|1,0,1]=4 11235 B12R1.464 CCC=CC(=O)NCCC1CC1 240690a_100000764129_100000212282 [0,1,0,1,0,0|1,0,1]=4 11236 B12R1.464 CCCCC(=O)CCCC1CO1 1458a_100000210183_100000733510 [0,1,0,1,0,0|2,0,0]=4 11237 B12R1.464 CCCCC(=O)CSCC1CC1 1458a_200011316215_100000210211 [0,1,0,1,0,0|2,0,0]=4 11238 B12R1.464 CCCCC(=O)NCCC1CC1 1626a_100000764129_100000210183 [0,1,0,1,0,0|1,0,0]=3 11239 B12R1.464 CCCCC(=O)NCCC1CC1 240690a_100000764129_100000210183 [0,1,0,1,0,0|1,0,0]=3 11240 B12R1.464 CCCCC(=O)NCCC1CC1 527a_100000764129_100000210183 [0,1,0,1,0,0|1,0,0]=3 11241 B12R1.464 CCCCC(=O)NNCC1CC1 22a_100000736359_100000210183 [0,1,0,1,0,0|2,0,0]=4 11242 B12R1.464 CCCCC(C)OCCC1CC1 34a_100000687866_100000694398 [0,1,0,1,0,0|1,0,1]=4 11243 B12R1.464 CCCCC(C)OCCC1CC1 34a_100000754188_200011215066 [0,1,0,1,0,0|1,0,1]=4 11244 B12R1.464 CCCCC(C)OCCC1CC1 7a_100000687866_100000764125 [0,1,0,1,0,0|1,0,1]=4 11245 B12R1.464 CCCCC(C)OCCC1CC1 7a_100000754188_200011215066 [0,1,0,1,0,0|1,0,1]=4 11246 B12R1.464 CCCNC(=O)CNCC1CC1 2230a_100000174927_100000742324 [0,1,0,1,0,0|2,0,0]=4 11247 B12R1.464 CCCNC(=O)CNCC1CC1 2230a_100000735609_100000183358 [0,1,0,1,0,0|2,0,0]=4 11248 B12R1.464 CCCNC(=O)CNCC1CC1 269862a_100000174927_100000741477 [0,1,0,1,0,0|2,0,0]=4 11249 B12R1.464 CCCNC(=O)CNCC1CC1 34a_100000735609_100000183358 [0,1,0,1,0,0|2,0,0]=4 11250 B12R1.464 CCCNC(=O)COCC1CC1 34a_100000211283_100000183358 [0,1,0,1,0,0|2,0,0]=4 11251 B12R1.464 CCCNC(=O)CSCC1CC1 11a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 11252 B12R1.464 CCCNC(=O)CSCC1CC1 1626a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 11253 B12R1.464 CCCNC(=O)CSCC1CC1 240690a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 11254 B12R1.464 CCCNC(=O)CSCC1CC1 527a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 11255 B12R1.464 CCCNC(=O)CSCC1CC1 62a_100000183358_100000742324 [0,1,0,1,0,0|2,0,0]=4 11256 B12R1.464 CCCNC(=O)CSCC1CC1 62a_100000756562_100000183358 [0,1,0,1,0,0|2,0,0]=4 11257 B12R1.464 CCCNC(=O)NCCC1CC1 2708a_100000764129_100020643023 [0,1,0,1,0,0|1,0,0]=3 11258 B12R1.464 CCCNC(=O)NCCC1CC1 2708a_100020643023_100000764129 [0,1,0,1,0,0|1,0,0]=3 11259 B12R1.464 CCCNC(=O)NCCC1CC1 273464a_100000764129_100020643023 [0,1,0,1,0,0|1,0,0]=3 11260 B12R1.464 CCCNC(=O)NCCC1CC1 273464a_100020643023_100000764129 [0,1,0,1,0,0|1,0,0]=3 11261 B12R1.464 CCCNC(=O)NCCC1CC1 512a_100000764129_100020643023 [0,1,0,1,0,0|1,0,0]=3 11262 B12R1.464 CCCNC(=O)NCCC1CC1 512a_100020643023_100000764129 [0,1,0,1,0,0|1,0,0]=3 11263 B12R1.464 CCCNC(=O)NNCC1CC1 273464a_100020643023_100000736359 [0,1,0,1,0,0|2,0,0]=4 11264 B12R1.464 CCCNC(=O)NNCC1CC1 512a_100000736359_100020643023 [0,1,0,1,0,0|2,0,0]=4 11265 B12R1.464 CCCNC(=O)NNCC1CC1 512a_100020643023_100000736359 [0,1,0,1,0,0|2,0,0]=4 11266 B12R1.464 CCCOC(=O)CNCC1CC1 2230a_100000735609_200011215008 [0,1,0,1,0,0|2,0,0]=4 11267 B12R1.464 CCCOC(=O)CNCC1CC1 34a_100000735609_200011215008 [0,1,0,1,0,0|2,0,0]=4 11268 B12R1.464 CCCOC(=O)COCC1CC1 34a_100000211283_200011215008 [0,1,0,1,0,0|2,0,0]=4 11269 B12R1.464 CCCOC(=O)CSCC1CC1 62a_100000756562_200011215008 [0,1,0,1,0,0|2,0,0]=4 11270 B12R1.464 CCCOC(=O)CSCC1CC1 62a_200011215008_100000742324 [0,1,0,1,0,0|2,0,0]=4 11271 B12R1.464 CCCOC(=O)OCNC1CC1 34a_100000212008_200000139673 [0,1,0,1,0,0|1,0,0]=3 11272 B12R1.464 CCNNC(=O)NCCC1CC1 273464a_100000764129_100000756455 [0,1,0,1,0,0|2,0,0]=4 11273 B12R1.464 CCNNC(=O)NCCC1CC1 512a_100000756455_100000764129 [0,1,0,1,0,0|2,0,0]=4 11274 B12R1.464 CCNNC(=O)NCCC1CC1 512a_100000764129_100000756455 [0,1,0,1,0,0|2,0,0]=4 11275 B12R1.464 CCOCC(=O)CCCC1CO1 1458a_100000211967_100000733510 [0,1,0,1,0,0|2,0,0]=4 11276 B12R1.464 CCOCC(=O)NCCC1CC1 1626a_100000764129_100000211967 [0,1,0,1,0,0|1,0,0]=3 11277 B12R1.464 CCOCC(=O)NCCC1CC1 240690a_100000764129_100000211967 [0,1,0,1,0,0|1,0,0]=3 11278 B12R1.464 CCOCC(=O)NCCC1CC1 527a_100000764129_100000211967 [0,1,0,1,0,0|1,0,0]=3 11279 B12R1.464 CCOCC(=O)NNCC1CC1 22a_100000736359_100000211967 [0,1,0,1,0,0|2,0,0]=4 11280 B12R1.464 CCOCC(C)OCCC1CC1 34a_100000718985_100000694398 [0,1,0,1,0,0|1,0,1]=4 11281 B12R1.464 CCOCC(C)OCCC1CC1 7a_100000718985_100000764125 [0,1,0,1,0,0|1,0,1]=4 11282 B12R1.464 CCSCC(=O)CCCC1CO1 1458a_100000230394_100000733510 [0,1,0,1,0,0|2,0,0]=4 11283 B12R1.464 CCSCC(=O)NCCC1CC1 1626a_100000764129_100000230394 [0,1,0,1,0,0|1,0,0]=3 11284 B12R1.464 CCSCC(=O)NCCC1CC1 240690a_100000764129_100000230394 [0,1,0,1,0,0|1,0,0]=3 11285 B12R1.464 CCSCC(=O)NCCC1CC1 527a_100000764129_100000230394 [0,1,0,1,0,0|1,0,0]=3 11286 B12R1.464 CCSCC(=O)NNCC1CC1 22a_100000736359_100000230394 [0,1,0,1,0,0|2,0,0]=4 11287 B12R1.464 COCCC(=O)CCCC1CO1 1458a_100000749529_100000733510 [0,1,0,1,0,0|2,0,0]=4 11288 B12R1.464 COCCC(=O)CSCC1CC1 1458a_200011316215_100000233755 [0,1,0,1,0,0|2,0,0]=4 11289 B12R1.464 COCCC(=O)NCCC1CC1 1626a_100000764129_100000749529 [0,1,0,1,0,0|1,0,0]=3 11290 B12R1.464 COCCC(=O)NCCC1CC1 240690a_100000764129_100000749529 [0,1,0,1,0,0|1,0,0]=3 11291 B12R1.464 COCCC(=O)NCCC1CC1 527a_100000764129_100000749529 [0,1,0,1,0,0|1,0,0]=3 11292 B12R1.464 COCCC(=O)NNCC1CC1 22a_100000736359_100000749529 [0,1,0,1,0,0|2,0,0]=4 11293 B12R1.464 CSCCC(=O)CCCC1CO1 1458a_100000174002_100000733510 [0,1,0,1,0,0|2,0,0]=4 11294 B12R1.464 CSCCC(=O)CSCC1CC1 1458a_200011316215_100000751147 [0,1,0,1,0,0|2,0,0]=4 11295 B12R1.464 CSCCC(=O)NCCC1CC1 1626a_100000764129_100000174002 [0,1,0,1,0,0|1,0,0]=3 11296 B12R1.464 CSCCC(=O)NCCC1CC1 240690a_100000764129_100000174002 [0,1,0,1,0,0|1,0,0]=3 11297 B12R1.464 CSCCC(=O)NCCC1CC1 527a_100000764129_100000174002 [0,1,0,1,0,0|1,0,0]=3 11298 B12R1.464 CSCCC(=O)NNCC1CC1 22a_100000736359_100000174002 [0,1,0,1,0,0|2,0,0]=4 11299 B12R1.464 N#CCCC(=O)NCCC1CC1 1626a_100000764129_100011934036 [0,1,0,1,0,0|1,0,1]=4 11300 B12R1.464 N#CCCC(=O)NCCC1CC1 240690a_100000764129_100011934036 [0,1,0,1,0,0|1,0,1]=4 11301 B12R1.464 N#CCCC(=O)NCCC1CC1 527a_100000764129_100011934036 [0,1,0,1,0,0|1,0,1]=4 11302 B12R1.464 O=C(CCCF)CSCC1CC1 1458a_200011316215_100011934791 [0,1,0,1,0,0|2,0,0]=4 11303 B12R1.464 O=C(CCCO)CSCC1CC1 1458a_200011316215_100011215043 [0,1,0,1,0,0|2,0,0]=4 11304 B12R1.464 O=C(NCCF)NCCC1CC1 2708a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 11305 B12R1.464 O=C(NCCF)NCCC1CC1 273464a_100000724931_100000764129 [0,1,0,1,0,0|2,0,0]=4 11306 B12R1.464 O=C(NCCF)NCCC1CC1 273464a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 11307 B12R1.464 O=C(NCCF)NCCC1CC1 512a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 11308 B12R1.464 O=C(NCCO)NCCC1CC1 2708a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 11309 B12R1.464 O=C(NCCO)NCCC1CC1 273464a_100000210304_100000764129 [0,1,0,1,0,0|2,0,0]=4 11310 B12R1.464 O=C(NCCO)NCCC1CC1 273464a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 11311 B12R1.464 O=C(NCCO)NCCC1CC1 512a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 11312 B12R1.549 CCCCC(C)OCC1CC1C 34a_100000744939_200011215066 [0,1,0,1,0,0|1,0,1]=4 11313 B12R1.549 CCCCC(C)OCC1CC1C 7a_100000744939_200011215066 [0,1,0,1,0,0|1,0,1]=4 11314 B12R1.1236 CC(C)N1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210206 [0,1,0,1,0,0|2,0,0]=4 11315 B12R1.1236 CC(C)N1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210206 [0,1,0,1,0,0|2,0,0]=4 11316 B12R1.1236 CC(C)N1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210206 [0,1,0,1,0,0|2,0,0]=4 11317 B12R1.50 CC(CO)OC1CCCC(=O)C1 34a_100012613340_100012180447 [0,1,0,1,0,0|2,0,0]=4 11318 B12R1.50 CCC(C)OC1CCCC(=O)C1 34a_100012613340_100011215416 [0,1,0,1,0,0|2,0,0]=4 11319 B12R1.312 CCCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210303 [0,1,0,1,0,0|2,0,0]=4 11320 B12R1.312 CCCC(=O)N1CCC(C1)C#N 11a_100016989334_100000211992 [0,1,0,1,0,0|1,0,1]=4 11321 B12R1.312 CCCC(=O)N1CCC(C1)C#N 1626a_100016989334_100000211992 [0,1,0,1,0,0|1,0,1]=4 11322 B12R1.312 CCCC(=O)N1CCC(C1)C#N 240690a_100016989334_100000211992 [0,1,0,1,0,0|1,0,1]=4 11323 B12R1.312 CCCC(=O)N1CCC(C1)C#N 527a_100016989334_100000211992 [0,1,0,1,0,0|1,0,1]=4 11324 B12R1.312 CCCC(=O)N1CCC(C1)CO 240690a_100000748654_100000211992 [0,1,0,1,0,0|1,0,0]=3 11325 B12R1.312 CCCC(=O)N1CCC(C1)CO 527a_100000748654_100000211992 [0,1,0,1,0,0|1,0,0]=3 11326 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000211992 [0,1,0,1,0,0|1,0,0]=3 11327 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000211992 [0,1,0,1,0,0|1,0,0]=3 11328 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000211992 [0,1,0,1,0,0|1,0,0]=3 11329 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 527a_100000766984_100000211992 [0,1,0,1,0,0|1,0,0]=3 11330 B12R1.312 CCNC(=O)N1CCC(C1)CO 2708a_100015525214_100000748654 [0,1,0,1,0,0|2,0,0]=4 11331 B12R1.312 CCNC(=O)N1CCC(C1)CO 273464a_100015525214_100000748654 [0,1,0,1,0,0|2,0,0]=4 11332 B12R1.312 CCNC(=O)N1CC[C@H](C1)OC 2708a_100015525214_100000766984 [0,1,0,1,0,0|2,0,0]=4 11333 B12R1.312 CCNC(=O)N1CC[C@H](C1)OC 273464a_100015525214_100000766984 [0,1,0,1,0,0|2,0,0]=4 11334 B12R1.312 CCOC(=O)C1CCC(C1)NC 270004a_106832991635_100000077466 [0,1,0,1,0,0|2,0,0]=4 11335 B12R1.312 COCC(=O)N1CCC(C1)CO 240690a_100000748654_100000210968 [0,1,0,1,0,0|2,0,0]=4 11336 B12R1.312 COCC(=O)N1CCC(C1)CO 527a_100000748654_100000210968 [0,1,0,1,0,0|2,0,0]=4 11337 B12R1.312 COCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000210968 [0,1,0,1,0,0|2,0,0]=4 11338 B12R1.312 COCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000210968 [0,1,0,1,0,0|2,0,0]=4 11339 B12R1.312 COCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000210968 [0,1,0,1,0,0|2,0,0]=4 11340 B12R1.312 COCC(=O)N1CC[C@H](C1)OC 527a_100000766984_100000210968 [0,1,0,1,0,0|2,0,0]=4 11341 B12R1.312 CO[C@@H]1CCN(C1)C(=O)CCO 240690a_100000766984_100011216618 [0,1,0,1,0,0|2,0,0]=4 11342 B12R1.312 CO[C@@H]1CCN(C1)C(=O)CSC 11a_100000766984_100000184570 [0,1,0,1,0,0|2,0,0]=4 11343 B12R1.312 CO[C@@H]1CCN(C1)C(=O)CSC 1626a_100000766984_100000184570 [0,1,0,1,0,0|2,0,0]=4 11344 B12R1.312 CO[C@@H]1CCN(C1)C(=O)CSC 240690a_100000766984_100000184570 [0,1,0,1,0,0|2,0,0]=4 11345 B12R1.312 CO[C@@H]1CCN(C1)C(=O)CSC 527a_100000766984_100000184570 [0,1,0,1,0,0|2,0,0]=4 11346 B12R1.312 CSCC(=O)N1CCC(C1)CO 240690a_100000748654_100000184570 [0,1,0,1,0,0|2,0,0]=4 11347 B12R1.312 CSCC(=O)N1CCC(C1)CO 527a_100000748654_100000184570 [0,1,0,1,0,0|2,0,0]=4 11348 B12R1.312 O=C(CCO)N1CCC(C1)CO 240690a_100000748654_100011216618 [0,1,0,1,0,0|2,0,0]=4 11349 B12R1.315 CCCC(=O)CNCC1CCC1 2230a_100000738700_100000747444 [0,1,0,1,0,0|2,0,0]=4 11350 B12R1.315 CCCC(=O)CNCC1COC1 2230a_100015281925_100000747444 [0,1,0,1,0,0|2,0,0]=4 11351 B12R1.315 CCCC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747444 [0,1,0,1,0,0|2,0,0]=4 11352 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000747444_100000763275 [0,1,0,1,0,0|2,0,0]=4 11353 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000763275_100000747444 [0,1,0,1,0,0|2,0,0]=4 11354 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000103362_100000747444 [0,1,0,1,0,0|2,0,0]=4 11355 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000747444_100000103362 [0,1,0,1,0,0|2,0,0]=4 11356 B12R1.315 CCCC(=O)CSCC1COC1 62a_100000747444_100010264016 [0,1,0,1,0,0|2,0,0]=4 11357 B12R1.315 CCCC(=O)CSCC1COC1 62a_100010264016_100000747444 [0,1,0,1,0,0|2,0,0]=4 11358 B12R1.315 CCCC(=O)NCCN1CCC1 240690a_100000691440_100000211992 [0,1,0,1,0,0|2,0,0]=4 11359 B12R1.315 CCCC(=O)NNCC1CCC1 22a_200020586977_100000211992 [0,1,0,1,0,0|2,0,0]=4 11360 B12R1.315 CCCC(=O)OCNC1CCC1 2230a_100000749019_100000034017 [0,1,0,1,0,0|1,0,0]=3 11361 B12R1.315 CCCC(=O)OCNC1CCC1 34a_100000749019_100000034017 [0,1,0,1,0,0|1,0,0]=3 11362 B12R1.315 CCCC(=O)OCNC1COC1 2230a_100016991112_100000034017 [0,1,0,1,0,0|1,0,0]=3 11363 B12R1.315 CCCC(=O)OCOC1CCC1 34a_100000748187_100000034017 [0,1,0,1,0,0|1,0,0]=3 11364 B12R1.315 CCCC(C)OCCC1COC1 34a_100009855314_100000766640 [0,1,0,1,0,0|1,0,1]=4 11365 B12R1.353 CC(CN)COC1CCCC1=O 34a_100000744482_100000709159 [0,1,0,1,0,0|2,0,0]=4 11366 B12R1.353 CC(CO)CNC1CCCC1=O 34a_100000744482_100000709159 [0,1,0,1,0,0|2,0,0]=4 11367 B12R1.353 CC(CO)SCN1CCCC1=O 62a_100012180447_100000026320 [0,1,0,1,0,0|2,0,0]=4 11368 B12R1.353 CCC(C)CNC1CCCC1=O 2230a_100020588543_100000211823 [0,1,0,1,0,0|2,0,0]=4 11369 B12R1.353 CCC(C)COC1CCCC1=O 34a_200000719330_100000748023 [0,1,0,1,0,0|2,0,0]=4 11370 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000211823_100000748023 [0,1,0,1,0,0|2,0,0]=4 11371 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000748023_100000211823 [0,1,0,1,0,0|2,0,0]=4 11372 B12R1.353 CCC(C)SCN1CCCC1=O 62a_100000026320_100000758301 [0,1,0,1,0,0|2,0,0]=4 11373 B12R1.353 CCC(C)SCN1CCCC1=O 62a_100000758301_100000026320 [0,1,0,1,0,0|2,0,0]=4 11374 B12R1.353 CCN(C)CCN1CCCC1=O 2230a_100000225621_100000739059 [0,1,0,1,0,0|2,0,0]=4 11375 B12R1.353 CCN(C)CCN1CCCC1=O 269982a_100000225621_100000739059 [0,1,0,1,0,0|2,0,0]=4 11376 B12R1.353 CC[C@H](C)COC1CCCC1=O 34a_200000719330_100009816398 [0,1,0,1,0,0|2,0,0]=4 11377 B12R1.353 CC[C@H](C)COC1CCCC1=O 7a_100009816381_100000211823 [0,1,0,1,0,0|2,0,0]=4 11378 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100000211823_100009816398 [0,1,0,1,0,0|2,0,0]=4 11379 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100009816398_100000211823 [0,1,0,1,0,0|2,0,0]=4 11380 B12R1.353 COC(C)COC1CCCC1=O 34a_100000690652_100000709159 [0,1,0,1,0,0|2,0,0]=4 11381 B12R1.353 COC(C)SCN1CCCC1=O 62a_100000026320_100009879195 [0,1,0,1,0,0|2,0,0]=4 11382 B12R1.353 COC(C)SCN1CCCC1=O 62a_100009879195_100000026320 [0,1,0,1,0,0|2,0,0]=4 11383 B12R1.353 CO[C@H](C)CNC1CCCC1=O 2230a_100020591295_100000211823 [0,1,0,1,0,0|2,0,0]=4 11384 B12R1.353 C[C@@H](CO)COC1CCCC1=O 34a_200000719330_100000059175 [0,1,0,1,0,0|2,0,0]=4 11385 B12R1.353 C[C@@H](CO)CSC1CCCC1=O 62a_100000059175_100000211823 [0,1,0,1,0,0|2,0,0]=4 11386 B12R1.353 C[C@@H](CO)CSC1CCCC1=O 62a_100000211823_100000059175 [0,1,0,1,0,0|2,0,0]=4 11387 B12R1.353 C[C@H](CO)SCN1CCCC1=O 62a_100000026320_100016084084 [0,1,0,1,0,0|2,0,0]=4 11388 B12R1.353 C[C@H](CO)SCN1CCCC1=O 62a_100016084084_100000026320 [0,1,0,1,0,0|2,0,0]=4 11389 B12R1.477 CCC(C)CCOC1CCCC1 7a_100011215188_100000179811 [0,1,0,1,0,0|1,0,1]=4 11390 B12R1.477 COC(C)CCOC1CCCC1 7a_100000764861_100000179811 [0,1,0,1,0,0|1,0,1]=4 11391 B12R1.1527 CCCC(=O)CNCC1(CC1)C 2230a_100000766693_100000747444 [0,1,0,1,0,0|2,0,0]=4 11392 B12R1.1527 CCCC(=O)CNCC1(CC1)O 2230a_100011936951_100000747444 [0,1,0,1,0,0|2,0,0]=4 11393 B12R1.1527 CCCC(=O)COCC1(CC1)C 7a_100000698024_100000747444 [0,1,0,1,0,0|2,0,0]=4 11394 B12R1.1527 CCCC(=O)COCC1(CC1)F 7a_200000703853_100000747444 [0,1,0,1,0,0|2,0,0]=4 11395 B12R1.1527 CCCC(=O)CSCC1(CO1)C 62a_100000747444_100000760498 [0,1,0,1,0,0|2,0,0]=4 11396 B12R1.1527 CCCC(=O)CSCC1(CO1)C 62a_100000760498_100000747444 [0,1,0,1,0,0|2,0,0]=4 11397 B12R1.1527 CCCC(=O)OCNC1(CC1)C 2230a_100000757604_100000034017 [0,1,0,1,0,0|1,0,0]=3 11398 B12R1.1621 CCCC(=O)CN1CC(C1)CC 2230a_100015205115_100000747444 [0,1,0,1,0,0|2,0,0]=4 11399 B12R1.1621 CCCC(=O)CN1CC(C1)CC 269982a_100015205115_100000747444 [0,1,0,1,0,0|2,0,0]=4 11400 B12R1.1621 CCCC(=O)CN1CC(C1)CF 269982a_100010363649_100000747444 [0,1,0,1,0,0|2,0,0]=4 11401 B12R1.1621 CCCC(=O)CN1CC(C1)CO 269982a_100016987283_100000747444 [0,1,0,1,0,0|2,0,0]=4 11402 B12R1.1621 CCCC(=O)CN1CC(C1)OC 269982a_100000755009_100000747444 [0,1,0,1,0,0|2,0,0]=4 11403 B12R1.1621 CCCC(=O)CN1CC(C1)SC 269982a_100016990038_100000747444 [0,1,0,1,0,0|2,0,0]=4 11404 B12R1.1621 CCCC(=O)NC1CC(C1)CO 240690a_100000095622_100000211992 [0,1,0,1,0,0|1,0,0]=3 11405 B12R1.1621 CCCC(=O)NC1CC(C1)CO 527a_100000095622_100000211992 [0,1,0,1,0,0|1,0,0]=3 11406 B12R1.1621 CCCC(=O)NC1CN(C1)CC 11a_200015199589_100000211992 [0,1,0,1,0,0|2,0,0]=4 11407 B12R1.1621 CCCC(=O)NC1CN(C1)CC 1626a_200015199589_100000211992 [0,1,0,1,0,0|2,0,0]=4 11408 B12R1.1621 CCCC(=O)NC1CN(C1)CC 240690a_200015199589_100000211992 [0,1,0,1,0,0|2,0,0]=4 11409 B12R1.1621 CCCC(=O)N[C@H]1C[C@@H](C1)OC 11a_100121570643_100000211992 [0,1,0,1,0,0|1,0,0]=3 11410 B12R1.1621 CCCC(=O)N[C@H]1C[C@@H](C1)OC 1626a_100121570643_100000211992 [0,1,0,1,0,0|1,0,0]=3 11411 B12R1.1621 CCCC(=O)N[C@H]1C[C@@H](C1)OC 240690a_100121570643_100000211992 [0,1,0,1,0,0|1,0,0]=3 11412 B12R1.1621 CCCC(=O)N[C@H]1C[C@@H](C1)OC 527a_100121570643_100000211992 [0,1,0,1,0,0|1,0,0]=3 11413 B12R1.1621 CCNC(=O)NC1CC(C1)CO 2708a_100015525214_100000095622 [0,1,0,1,0,0|2,0,0]=4 11414 B12R1.1621 CCNC(=O)NC1CC(C1)CO 273464a_100000095622_100015525214 [0,1,0,1,0,0|2,0,0]=4 11415 B12R1.1621 CCNC(=O)NC1CC(C1)CO 273464a_100015525214_100000095622 [0,1,0,1,0,0|2,0,0]=4 11416 B12R1.1621 CCNC(=O)NC1CC(C1)CO 512a_100015525214_100000095622 [0,1,0,1,0,0|2,0,0]=4 11417 B12R1.1621 CCNC(=O)N[C@H]1C[C@@H](C1)OC 2708a_100015525214_100121570643 [0,1,0,1,0,0|2,0,0]=4 11418 B12R1.1621 CCNC(=O)N[C@H]1C[C@@H](C1)OC 2708a_100121570643_100015525214 [0,1,0,1,0,0|2,0,0]=4 11419 B12R1.1621 CCNC(=O)N[C@H]1C[C@@H](C1)OC 273464a_100015525214_100121570643 [0,1,0,1,0,0|2,0,0]=4 11420 B12R1.1621 CCNC(=O)N[C@H]1C[C@@H](C1)OC 273464a_100121570643_100015525214 [0,1,0,1,0,0|2,0,0]=4 11421 B12R1.1621 CCNC(=O)N[C@H]1C[C@@H](C1)OC 512a_100015525214_100121570643 [0,1,0,1,0,0|2,0,0]=4 11422 B12R1.1621 CCNC(=O)N[C@H]1C[C@@H](C1)OC 512a_100121570643_100015525214 [0,1,0,1,0,0|2,0,0]=4 11423 B12R1.1621 CCOC(=O)CC1CC(C1)OC 7a_100010742785_200000210301 [0,1,0,1,0,0|2,0,0]=4 11424 B12R1.1621 CCOC(=O)CC1CC(C1)O[13CH3] 7a_100010742785_200025704644 [0,1,0,1,0,0|2,0,0]=4 11425 B12R1.1621 COCC(=O)NC1CC(C1)CO 240690a_100000095622_100000210968 [0,1,0,1,0,0|2,0,0]=4 11426 B12R1.1621 COCC(=O)NC1CC(C1)CO 527a_100000095622_100000210968 [0,1,0,1,0,0|2,0,0]=4 11427 B12R1.1621 COCC(=O)N[C@H]1C[C@@H](C1)OC 11a_100121570643_100000210968 [0,1,0,1,0,0|2,0,0]=4 11428 B12R1.1621 COCC(=O)N[C@H]1C[C@@H](C1)OC 1626a_100121570643_100000210968 [0,1,0,1,0,0|2,0,0]=4 11429 B12R1.1621 COCC(=O)N[C@H]1C[C@@H](C1)OC 240690a_100121570643_100000210968 [0,1,0,1,0,0|2,0,0]=4 11430 B12R1.1621 COCC(=O)N[C@H]1C[C@@H](C1)OC 527a_100121570643_100000210968 [0,1,0,1,0,0|2,0,0]=4 11431 B12R1.1621 CO[C@H]1C[C@@H](C1)NC(=O)CCO 240690a_100121570643_100011216618 [0,1,0,1,0,0|2,0,0]=4 11432 B12R1.1621 CO[C@H]1C[C@@H](C1)NC(=O)CSC 11a_100121570643_100000184570 [0,1,0,1,0,0|2,0,0]=4 11433 B12R1.1621 CO[C@H]1C[C@@H](C1)NC(=O)CSC 1626a_100121570643_100000184570 [0,1,0,1,0,0|2,0,0]=4 11434 B12R1.1621 CO[C@H]1C[C@@H](C1)NC(=O)CSC 240690a_100121570643_100000184570 [0,1,0,1,0,0|2,0,0]=4 11435 B12R1.1621 CO[C@H]1C[C@@H](C1)NC(=O)CSC 527a_100121570643_100000184570 [0,1,0,1,0,0|2,0,0]=4 11436 B12R1.1621 CSCC(=O)NC1CC(C1)CO 240690a_100000095622_100000184570 [0,1,0,1,0,0|2,0,0]=4 11437 B12R1.1621 CSCC(=O)NC1CC(C1)CO 527a_100000095622_100000184570 [0,1,0,1,0,0|2,0,0]=4 11438 B12R1.1621 O=C(CCO)NC1CC(C1)CO 240690a_100000095622_100011216618 [0,1,0,1,0,0|2,0,0]=4 11439 B12R1.1689 C#CC(C)NCOC(=O)C1CC1 2230a_100000707721_100000140896 [0,1,0,1,0,0|1,0,1]=4 11440 B12R1.1689 C#CC(C)NCOC(=O)C1CC1 34a_100000707721_100000140896 [0,1,0,1,0,0|1,0,1]=4 11441 B12R1.1689 C#CC(C)SCOC(=O)C1CC1 62a_200000035995_100000140896 [0,1,0,1,0,0|1,0,1]=4 11442 B12R1.1689 C#C[C@@H](C)OCOC(=O)C1CC1 34a_100009815206_100000140896 [0,1,0,1,0,0|1,0,1]=4 11443 B12R1.1689 C=CC(C)OCOC(=O)C1CC1 34a_100000695699_100000140896 [0,1,0,1,0,0|1,0,1]=4 11444 B12R1.1689 C=CC(C)SCOC(=O)C1CC1 62a_100011215867_100000140896 [0,1,0,1,0,0|1,0,1]=4 11445 B12R1.1689 CC(C#N)NCOC(=O)C1CC1 2230a_100000737613_100000140896 [0,1,0,1,0,0|1,0,1]=4 11446 B12R1.1689 CC(C#N)OCOC(=O)C1CC1 34a_100011218135_100000140896 [0,1,0,1,0,0|1,0,1]=4 11447 B12R1.1689 CC(C#N)SCOC(=O)C1CC1 62a_100000140896_100000703298 [0,1,0,1,0,0|1,0,1]=4 11448 B12R1.1689 CC(C#N)SCOC(=O)C1CC1 62a_100000703298_100000140896 [0,1,0,1,0,0|1,0,1]=4 11449 B12R1.1689 CC(CF)OCOC(=O)C1CC1 34a_100016041109_100000140896 [0,1,0,1,0,0|1,0,0]=3 11450 B12R1.1689 CC(CN)COCC(=O)C1CC1 34a_100000744482_100000746382 [0,1,0,1,0,0|2,0,0]=4 11451 B12R1.1689 CC(CN)OCOC(=O)C1CC1 34a_100000210904_100000140896 [0,1,0,1,0,0|1,0,0]=3 11452 B12R1.1689 CC(CO)CCNC(=O)C1CC1 240690a_106354213184_100000210395 [0,1,0,1,0,0|1,0,0]=3 11453 B12R1.1689 CC(CO)CCNC(=O)C1CC1 527a_106354213184_100000210395 [0,1,0,1,0,0|1,0,0]=3 11454 B12R1.1689 CC(CO)CCNC(=O)C1CO1 240690a_106354213184_100000701028 [0,1,0,1,0,0|2,0,0]=4 11455 B12R1.1689 CC(CO)CCNC(=O)C1CO1 527a_106354213184_100000701028 [0,1,0,1,0,0|2,0,0]=4 11456 B12R1.1689 CC(CO)CNCC(=O)C1CC1 34a_100000744482_100000746382 [0,1,0,1,0,0|2,0,0]=4 11457 B12R1.1689 CC(CO)SCOC(=O)C1CC1 62a_100012180447_100000140896 [0,1,0,1,0,0|1,0,0]=3 11458 B12R1.1689 CCC(C)CCNC(=O)C1CC1 11a_100020591266_100000210395 [0,1,0,1,0,0|1,0,0]=3 11459 B12R1.1689 CCC(C)CCNC(=O)C1CC1 1626a_100020591266_100000210395 [0,1,0,1,0,0|1,0,0]=3 11460 B12R1.1689 CCC(C)CCNC(=O)C1CC1 240690a_100020591266_100000210395 [0,1,0,1,0,0|1,0,0]=3 11461 B12R1.1689 CCC(C)CCNC(=O)C1CC1 527a_100020591266_100000210395 [0,1,0,1,0,0|1,0,0]=3 11462 B12R1.1689 CCC(C)CCNC(=O)C1CO1 11a_100020591266_100000701028 [0,1,0,1,0,0|2,0,0]=4 11463 B12R1.1689 CCC(C)CCNC(=O)C1CO1 1626a_100020591266_100000701028 [0,1,0,1,0,0|2,0,0]=4 11464 B12R1.1689 CCC(C)CCNC(=O)C1CO1 240690a_100020591266_100000701028 [0,1,0,1,0,0|2,0,0]=4 11465 B12R1.1689 CCC(C)CCNC(=O)C1CO1 527a_100020591266_100000701028 [0,1,0,1,0,0|2,0,0]=4 11466 B12R1.1689 CCC(C)CNCC(=O)C1CC1 2230a_100020588543_100000746382 [0,1,0,1,0,0|2,0,0]=4 11467 B12R1.1689 CCC(C)COCC(=O)C1CC1 34a_100000686663_100000748023 [0,1,0,1,0,0|2,0,0]=4 11468 B12R1.1689 CCC(C)CSCC(=O)C1CC1 62a_100000746382_100000748023 [0,1,0,1,0,0|2,0,0]=4 11469 B12R1.1689 CCC(C)CSCC(=O)C1CC1 62a_100000748023_100000746382 [0,1,0,1,0,0|2,0,0]=4 11470 B12R1.1689 CCC(C)NCOC(=O)C1CC1 2230a_100000209981_100000140896 [0,1,0,1,0,0|1,0,0]=3 11471 B12R1.1689 CCC(C)SCOC(=O)C1CC1 62a_100000140896_100000758301 [0,1,0,1,0,0|1,0,0]=3 11472 B12R1.1689 CCC(C)SCOC(=O)C1CC1 62a_100000758301_100000140896 [0,1,0,1,0,0|1,0,0]=3 11473 B12R1.1689 CCN(C)CCCC(=O)C1CC1 1458a_100000210395_100015186262 [0,1,0,1,0,0|2,0,0]=4 11474 B12R1.1689 CC[C@H](C)COCC(=O)C1CC1 34a_100000686663_100009816398 [0,1,0,1,0,0|2,0,0]=4 11475 B12R1.1689 CC[C@H](C)COCC(=O)C1CC1 7a_100009816381_100000746382 [0,1,0,1,0,0|2,0,0]=4 11476 B12R1.1689 CC[C@H](C)CSCC(=O)C1CC1 62a_100000746382_100009816398 [0,1,0,1,0,0|2,0,0]=4 11477 B12R1.1689 CC[C@H](C)CSCC(=O)C1CC1 62a_100009816398_100000746382 [0,1,0,1,0,0|2,0,0]=4 11478 B12R1.1689 COC(C)COCC(=O)C1CC1 34a_100000690652_100000746382 [0,1,0,1,0,0|2,0,0]=4 11479 B12R1.1689 COC(C)SCOC(=O)C1CC1 62a_100000140896_100009879195 [0,1,0,1,0,0|1,0,0]=3 11480 B12R1.1689 COC(C)SCOC(=O)C1CC1 62a_100009879195_100000140896 [0,1,0,1,0,0|1,0,0]=3 11481 B12R1.1689 CO[C@H](C)CNCC(=O)C1CC1 2230a_100020591295_100000746382 [0,1,0,1,0,0|2,0,0]=4 11482 B12R1.1689 C[C@@H](CO)COCC(=O)C1CC1 34a_100000686663_100000059175 [0,1,0,1,0,0|2,0,0]=4 11483 B12R1.1689 C[C@@H](CO)CSCC(=O)C1CC1 62a_100000059175_100000746382 [0,1,0,1,0,0|2,0,0]=4 11484 B12R1.1689 C[C@@H](CO)CSCC(=O)C1CC1 62a_100000746382_100000059175 [0,1,0,1,0,0|2,0,0]=4 11485 B12R1.1689 C[C@H](CO)NCOC(=O)C1CC1 2230a_100000737577_100000140896 [0,1,0,1,0,0|1,0,0]=3 11486 B12R1.1689 C[C@H](CO)SCOC(=O)C1CC1 62a_100000140896_100016084084 [0,1,0,1,0,0|1,0,0]=3 11487 B12R1.1689 C[C@H](CO)SCOC(=O)C1CC1 62a_100016084084_100000140896 [0,1,0,1,0,0|1,0,0]=3 11488 B12R1.119 CC(C)(C)OC1CCCC(=O)C1 34a_100012613340_100000210625 [0,1,0,1,0,0|2,0,0]=4 11489 B12R1.129 CC(C)(C)CNC1CCCC1=O 2230a_100000743828_100000211823 [0,1,0,1,0,0|2,0,0]=4 11490 B12R1.129 CC(C)(C)COC1CCCC1=O 34a_200000719330_100011219605 [0,1,0,1,0,0|2,0,0]=4 11491 B12R1.129 CC(C)(C)CSC1CCCC1=O 62a_100000211823_100011219605 [0,1,0,1,0,0|2,0,0]=4 11492 B12R1.129 CC(C)(C)CSC1CCCC1=O 62a_100011219605_100000211823 [0,1,0,1,0,0|2,0,0]=4 11493 B12R1.129 CC(C)(C)SCN1CCCC1=O 62a_100000026320_100000211941 [0,1,0,1,0,0|2,0,0]=4 11494 B12R1.129 CC(C)(C)SCN1CCCC1=O 62a_100000211941_100000026320 [0,1,0,1,0,0|2,0,0]=4 11495 B12R1.129 CC(C)(F)CNC1CCCC1=O 2230a_100020643315_100000211823 [0,1,0,1,0,0|2,0,0]=4 11496 B12R1.129 CC(C)(F)COC1CCCC1=O 34a_100000716592_100000709159 [0,1,0,1,0,0|2,0,0]=4 11497 B12R1.129 CC(C)(F)COC1CCCC1=O 34a_200000719330_100011997219 [0,1,0,1,0,0|2,0,0]=4 11498 B12R1.129 CC(C)(F)CSC1CCCC1=O 62a_100000211823_100011997219 [0,1,0,1,0,0|2,0,0]=4 11499 B12R1.129 CC(C)(F)CSC1CCCC1=O 62a_100011997219_100000211823 [0,1,0,1,0,0|2,0,0]=4 11500 B12R1.129 CC(C)(O)CNC1CCCC1=O 2230a_100000751335_100000211823 [0,1,0,1,0,0|2,0,0]=4 11501 B12R1.129 CC(C)(O)COC1CCCC1=O 34a_200000719330_100000764493 [0,1,0,1,0,0|2,0,0]=4 11502 B12R1.129 CC(C)(O)CSC1CCCC1=O 62a_100000211823_100000764493 [0,1,0,1,0,0|2,0,0]=4 11503 B12R1.129 CC(C)(O)CSC1CCCC1=O 62a_100000764493_100000211823 [0,1,0,1,0,0|2,0,0]=4 11504 B12R1.890 CC(C)(C)CCOC1CCCC1 34a_100000210269_100000755188 [0,1,0,1,0,0|1,0,1]=4 11505 B12R1.890 CC(C)(C)CCOC1CCCC1 7a_100000210269_100000755188 [0,1,0,1,0,0|1,0,1]=4 11506 B12R1.890 CC(C)(C)CCOC1CCCC1 7a_100000765024_100000179811 [0,1,0,1,0,0|1,0,1]=4 11507 B12R1.890 CC(C)(C)CCOC1CCCO1 34a_100000085407_100000755188 [0,1,0,1,0,0|0,0,2]=4 11508 B12R1.890 CC(C)(O)CCOC1CCCC1 34a_100000210269_100000702414 [0,1,0,1,0,0|1,0,1]=4 11509 B12R1.890 CC(C)(O)CCOC1CCCC1 7a_100000210269_100000702414 [0,1,0,1,0,0|1,0,1]=4 11510 B12R1.890 CC(C)(O)CCOC1CCCO1 34a_100000085407_100000702414 [0,1,0,1,0,0|0,0,2]=4 11511 B12R1.1029 CC(C)(C)CCOC1(CCC1)C 34a_100000759064_100000755188 [0,1,0,1,0,0|1,0,1]=4 11512 B12R1.1029 CC(C)(C)CCOC1(CCC1)C 7a_100000759064_100000755188 [0,1,0,1,0,0|1,0,1]=4 11513 B12R1.1029 CC(C)(O)CCOC1(CCC1)C 34a_100000759064_100000702414 [0,1,0,1,0,0|1,0,1]=4 11514 B12R1.1029 CC(C)(O)CCOC1(CCC1)C 7a_100000759064_100000702414 [0,1,0,1,0,0|1,0,1]=4 11515 B12R1.3183 CC(C)(C)CCNC(=O)C1CC1 11a_100000738805_100000210395 [0,1,0,1,0,0|1,0,0]=3 11516 B12R1.3183 CC(C)(C)CCNC(=O)C1CC1 1626a_100000738805_100000210395 [0,1,0,1,0,0|1,0,0]=3 11517 B12R1.3183 CC(C)(C)CCNC(=O)C1CC1 240690a_100000738805_100000210395 [0,1,0,1,0,0|1,0,0]=3 11518 B12R1.3183 CC(C)(C)CCNC(=O)C1CC1 527a_100000738805_100000210395 [0,1,0,1,0,0|1,0,0]=3 11519 B12R1.3183 CC(C)(C)CCNC(=O)C1CO1 11a_100000738805_100000701028 [0,1,0,1,0,0|2,0,0]=4 11520 B12R1.3183 CC(C)(C)CCNC(=O)C1CO1 1626a_100000738805_100000701028 [0,1,0,1,0,0|2,0,0]=4 11521 B12R1.3183 CC(C)(C)CCNC(=O)C1CO1 240690a_100000738805_100000701028 [0,1,0,1,0,0|2,0,0]=4 11522 B12R1.3183 CC(C)(C)CCNC(=O)C1CO1 527a_100000738805_100000701028 [0,1,0,1,0,0|2,0,0]=4 11523 B12R1.3183 CC(C)(C)CNCC(=O)C1CC1 2230a_100000743828_100000746382 [0,1,0,1,0,0|2,0,0]=4 11524 B12R1.3183 CC(C)(C)COCC(=O)C1CC1 34a_100000686663_100011219605 [0,1,0,1,0,0|2,0,0]=4 11525 B12R1.3183 CC(C)(C)CSCC(=O)C1CC1 62a_100000746382_100011219605 [0,1,0,1,0,0|2,0,0]=4 11526 B12R1.3183 CC(C)(C)CSCC(=O)C1CC1 62a_100011219605_100000746382 [0,1,0,1,0,0|2,0,0]=4 11527 B12R1.3183 CC(C)(C)NCOC(=O)C1CC1 2230a_100000715429_100000140896 [0,1,0,1,0,0|1,0,0]=3 11528 B12R1.3183 CC(C)(C)OCOC(=O)C1CC1 34a_100015890283_100000140896 [0,1,0,1,0,0|1,0,0]=3 11529 B12R1.3183 CC(C)(C)SCOC(=O)C1CC1 62a_100000140896_100000211941 [0,1,0,1,0,0|1,0,0]=3 11530 B12R1.3183 CC(C)(C)SCOC(=O)C1CC1 62a_100000211941_100000140896 [0,1,0,1,0,0|1,0,0]=3 11531 B12R1.3183 CC(C)(F)CCNC(=O)C1CC1 11a_100016253952_100000210395 [0,1,0,1,0,0|1,0,0]=3 11532 B12R1.3183 CC(C)(F)CCNC(=O)C1CC1 1626a_100016253952_100000210395 [0,1,0,1,0,0|1,0,0]=3 11533 B12R1.3183 CC(C)(F)CCNC(=O)C1CC1 240690a_100016253952_100000210395 [0,1,0,1,0,0|1,0,0]=3 11534 B12R1.3183 CC(C)(F)CCNC(=O)C1CC1 527a_100016253952_100000210395 [0,1,0,1,0,0|1,0,0]=3 11535 B12R1.3183 CC(C)(F)CCNC(=O)C1CO1 11a_100016253952_100000701028 [0,1,0,1,0,0|2,0,0]=4 11536 B12R1.3183 CC(C)(F)CCNC(=O)C1CO1 1626a_100016253952_100000701028 [0,1,0,1,0,0|2,0,0]=4 11537 B12R1.3183 CC(C)(F)CCNC(=O)C1CO1 240690a_100016253952_100000701028 [0,1,0,1,0,0|2,0,0]=4 11538 B12R1.3183 CC(C)(F)CCNC(=O)C1CO1 527a_100016253952_100000701028 [0,1,0,1,0,0|2,0,0]=4 11539 B12R1.3183 CC(C)(F)CNCC(=O)C1CC1 2230a_100020643315_100000746382 [0,1,0,1,0,0|2,0,0]=4 11540 B12R1.3183 CC(C)(F)COCC(=O)C1CC1 34a_100000686663_100011997219 [0,1,0,1,0,0|2,0,0]=4 11541 B12R1.3183 CC(C)(F)COCC(=O)C1CC1 34a_100000716592_100000746382 [0,1,0,1,0,0|2,0,0]=4 11542 B12R1.3183 CC(C)(F)CSCC(=O)C1CC1 62a_100000746382_100011997219 [0,1,0,1,0,0|2,0,0]=4 11543 B12R1.3183 CC(C)(F)CSCC(=O)C1CC1 62a_100011997219_100000746382 [0,1,0,1,0,0|2,0,0]=4 11544 B12R1.3183 CC(C)(O)CCNC(=O)C1CC1 1626a_100000707701_100000210395 [0,1,0,1,0,0|1,0,0]=3 11545 B12R1.3183 CC(C)(O)CCNC(=O)C1CC1 527a_100000707701_100000210395 [0,1,0,1,0,0|1,0,0]=3 11546 B12R1.3183 CC(C)(O)CCNC(=O)C1CO1 1626a_100000707701_100000701028 [0,1,0,1,0,0|2,0,0]=4 11547 B12R1.3183 CC(C)(O)CCNC(=O)C1CO1 527a_100000707701_100000701028 [0,1,0,1,0,0|2,0,0]=4 11548 B12R1.3183 CC(C)(O)CNCC(=O)C1CC1 2230a_100000751335_100000746382 [0,1,0,1,0,0|2,0,0]=4 11549 B12R1.3183 CC(C)(O)COCC(=O)C1CC1 34a_100000686663_100000764493 [0,1,0,1,0,0|2,0,0]=4 11550 B12R1.3183 CC(C)(O)CSCC(=O)C1CC1 62a_100000746382_100000764493 [0,1,0,1,0,0|2,0,0]=4 11551 B12R1.3183 CC(C)(O)CSCC(=O)C1CC1 62a_100000764493_100000746382 [0,1,0,1,0,0|2,0,0]=4 11552 B12R1.3183 CC(OCCC(C)(C)C)C1CC1 34a_100000744524_100000755188 [0,1,0,1,0,0|1,0,1]=4 11553 B12R1.3183 CC(OCCC(C)(C)C)C1CC1 7a_100000744524_100000755188 [0,1,0,1,0,0|1,0,1]=4 11554 B12R1.3183 CC(OCCC(C)(C)O)C1CC1 34a_100000744524_100000702414 [0,1,0,1,0,0|1,0,1]=4 11555 B12R1.3183 CC(OCCC(C)(C)O)C1CC1 7a_100000744524_100000702414 [0,1,0,1,0,0|1,0,1]=4 11556 B12R1.3183 C[N+](C)(C)CCCC(=O)C1CC1 1458a_100000210395_100016990835 [0,1,0,1,0,0|2,0,0]=4 11557 B12R1.3183 C[N+](C)(C)CCNC(=O)C1CC1 1626a_100000106457_100000210395 [0,1,0,1,0,0|2,0,0]=4 11558 B12R1.3183 C[N+](C)(C)CCNC(=O)C1CC1 240690a_100000106457_100000210395 [0,1,0,1,0,0|2,0,0]=4 11559 B12R1.3183 C[N+](C)(C)CCNC(=O)C1CC1 527a_100000106457_100000210395 [0,1,0,1,0,0|2,0,0]=4 11560 B12R1.3183 C[Si](C)(C)CCCC(=O)C1CC1 1458a_100000210395_100011219597 [0,1,0,1,0,0|1,1,0]=4 11561 B12R2.1488 CCCC(=O)N1CC2CC2C1 11a_100000741873_100000211992 [0,0,0,2,0,0|1,0,0]=3 11562 B12R2.1488 CCCC(=O)N1CC2CC2C1 1626a_100000741873_100000211992 [0,0,0,2,0,0|1,0,0]=3 11563 B12R2.1488 CCCC(=O)N1CC2CC2C1 240690a_100000741873_100000211992 [0,0,0,2,0,0|1,0,0]=3 11564 B12R2.1488 CCCC(=O)N1CC2CC2C1 527a_100000741873_100000211992 [0,0,0,2,0,0|1,0,0]=3 11565 B12R2.1488 CCNC(=O)N1CC2CC2C1 2708a_100015525214_100000741873 [0,0,0,2,0,0|2,0,0]=4 11566 B12R2.1488 CCNC(=O)N1CC2CC2C1 273464a_100015525214_100000741873 [0,0,0,2,0,0|2,0,0]=4 11567 B12R2.1488 COCC(=O)N1CC2CC2C1 11a_100000741873_100000210968 [0,0,0,2,0,0|2,0,0]=4 11568 B12R2.1488 COCC(=O)N1CC2CC2C1 1626a_100000741873_100000210968 [0,0,0,2,0,0|2,0,0]=4 11569 B12R2.1488 COCC(=O)N1CC2CC2C1 240690a_100000741873_100000210968 [0,0,0,2,0,0|2,0,0]=4 11570 B12R2.1488 COCC(=O)N1CC2CC2C1 527a_100000741873_100000210968 [0,0,0,2,0,0|2,0,0]=4 11571 B12R2.1488 CSCC(=O)N1CC2CC2C1 11a_100000741873_100000184570 [0,0,0,2,0,0|2,0,0]=4 11572 B12R2.1488 CSCC(=O)N1CC2CC2C1 1626a_100000741873_100000184570 [0,0,0,2,0,0|2,0,0]=4 11573 B12R2.1488 CSCC(=O)N1CC2CC2C1 240690a_100000741873_100000184570 [0,0,0,2,0,0|2,0,0]=4 11574 B12R2.1488 CSCC(=O)N1CC2CC2C1 527a_100000741873_100000184570 [0,0,0,2,0,0|2,0,0]=4 11575 B12R2.1488 O=C(CCO)N1CC2CC2C1 240690a_100000741873_100011216618 [0,0,0,2,0,0|2,0,0]=4 11576 B12R2.2299 C[C@@H]1CCN(C1)C(=O)C2CC2 11a_100016987628_100000210395 [0,0,0,2,0,0|1,0,0]=3 11577 B12R2.2299 C[C@@H]1CCN(C1)C(=O)C2CC2 240690a_100016987628_100000210395 [0,0,0,2,0,0|1,0,0]=3 11578 B12R2.2299 C[C@@H]1CCN(C1)C(=O)C2CC2 527a_100016987628_100000210395 [0,0,0,2,0,0|1,0,0]=3 11579 B12R2.2299 C[C@@H]1CCN(C1)C(=O)C2CO2 11a_100016987628_100000701028 [0,0,0,2,0,0|2,0,0]=4 11580 B12R2.2299 C[C@@H]1CCN(C1)C(=O)C2CO2 240690a_100016987628_100000701028 [0,0,0,2,0,0|2,0,0]=4 11581 B12R2.2299 C[C@@H]1CCN(C1)C(=O)C2CO2 527a_100016987628_100000701028 [0,0,0,2,0,0|2,0,0]=4 11582 B12R2.2299 O=C(C1CC1)N2CCC(C2)O 240690a_100011215560_100000210395 [0,0,0,2,0,0|2,0,0]=4 11583 B12R2.2299 O=C(C1CC1)N2CCC(C2)O 527a_100011215560_100000210395 [0,0,0,2,0,0|2,0,0]=4 11584 B12R2.2299 O=C(C1CC1)N2CC[C@@H](C2)F 11a_100015203821_100000210395 [0,0,0,2,0,0|2,0,0]=4 11585 B12R2.2299 O=C(C1CC1)N2CC[C@@H](C2)F 1626a_100015203821_100000210395 [0,0,0,2,0,0|2,0,0]=4 11586 B12R2.2299 O=C(C1CC1)N2CC[C@@H](C2)F 240690a_100015203821_100000210395 [0,0,0,2,0,0|2,0,0]=4 11587 B12R2.2299 O=C(C1CC1)N2CC[C@@H](C2)F 527a_100015203821_100000210395 [0,0,0,2,0,0|2,0,0]=4 11588 B12R2.111 CC1CN(C1)C2CCCC2=O 2230a_100000702820_100000211823 [0,0,0,2,0,0|2,0,0]=4 11589 B12R2.111 CC1CN(C1)C2CCCC2=O 269982a_100000702820_100000211823 [0,0,0,2,0,0|2,0,0]=4 11590 B12R2.111 CC1CN(C1)C2CCCC2=O 34a_100000702820_100000709159 [0,0,0,2,0,0|2,0,0]=4 11591 B12R2.466 O=C1CCCC1NCC2CC2 2230a_100000735609_100000211823 [0,0,0,2,0,0|2,0,0]=4 11592 B12R2.466 O=C1CCCC1NCC2CC2 34a_100000735609_100000709159 [0,0,0,2,0,0|2,0,0]=4 11593 B12R2.466 O=C1CCCC1OCC2CC2 34a_100000211283_100000709159 [0,0,0,2,0,0|2,0,0]=4 11594 B12R2.466 O=C1CCCC1OCC2CC2 34a_200000719330_100000742324 [0,0,0,2,0,0|2,0,0]=4 11595 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000211823_100000742324 [0,0,0,2,0,0|2,0,0]=4 11596 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000756562_100000211823 [0,0,0,2,0,0|2,0,0]=4 11597 B12R2.466 O=C1CCCN1CSC2CC2 62a_100000026320_100000211595 [0,0,0,2,0,0|2,0,0]=4 11598 B12R2.612 CN1CCN2C(=O)CCC2C1 2230a_100020639069_200000210301 [0,0,0,2,0,0|2,0,0]=4 11599 B12R2.612 CN1CCN2C(=O)CCC2C1 269982a_100020639069_200000210301 [0,0,0,2,0,0|2,0,0]=4 11600 B12R2.612 CN1CCN2C(=O)CCC2C1 34a_100020639069_200000210301 [0,0,0,2,0,0|2,0,0]=4 11601 B12R2.612 [13CH3]N1CCN2C(=O)CCC2C1 2230a_100020639069_200025704644 [0,0,0,2,0,0|2,0,0]=4 11602 B12R2.612 [13CH3]N1CCN2C(=O)CCC2C1 269982a_100020639069_200025704644 [0,0,0,2,0,0|2,0,0]=4 11603 B12R2.612 [13CH3]N1CCN2C(=O)CCC2C1 34a_100020639069_200025704644 [0,0,0,2,0,0|2,0,0]=4 11604 B12R2.1286 O=C1CCCC(C1)OC2CC2 34a_100012613340_100000211595 [0,0,0,2,0,0|2,0,0]=4 11605 B12R2.20 CC1CC1COC2CCCC2 34a_100000744939_100000179811 [0,0,0,2,0,0|1,0,1]=4 11606 B12R2.20 CC1CC1COC2CCCC2 7a_100000744939_100000179811 [0,0,0,2,0,0|1,0,1]=4 11607 B12R2.2383 C1CCC(C1)OCCC2CC2 34a_100000210269_100000694398 [0,0,0,2,0,0|1,0,1]=4 11608 B12R2.2383 C1CCC(C1)OCCC2CC2 34a_100000754188_100000179811 [0,0,0,2,0,0|1,0,1]=4 11609 B12R2.2383 C1CCC(C1)OCCC2CC2 7a_100000210269_100000764125 [0,0,0,2,0,0|1,0,1]=4 11610 B12R2.2383 C1CCC(C1)OCCC2CC2 7a_100000754188_100000179811 [0,0,0,2,0,0|1,0,1]=4 11611 B12R2.2383 C1COC(C1)OCCC2CC2 34a_100000085407_100000694398 [0,0,0,2,0,0|0,0,2]=4 11612 B12R2.665 CC1CN(C1)CC(=O)C2CC2 2230a_100000702820_100000746382 [0,0,0,2,0,0|2,0,0]=4 11613 B12R2.665 CC1CN(C1)CC(=O)C2CC2 269982a_100000702820_100000746382 [0,0,0,2,0,0|2,0,0]=4 11614 B12R2.665 CC1CN(C1)CC(=O)C2CC2 34a_100000702820_100000746382 [0,0,0,2,0,0|2,0,0]=4 11615 B12R2.665 CN1CC(C1)NC(=O)C2CC2 240690a_100015196640_100000210395 [0,0,0,2,0,0|2,0,0]=4 11616 B12R2.665 O=C(NC1CC(C1)F)C2CC2 11a_100016993743_100000210395 [0,0,0,2,0,0|2,0,0]=4 11617 B12R2.665 O=C(NC1CC(C1)F)C2CC2 1626a_100016993743_100000210395 [0,0,0,2,0,0|2,0,0]=4 11618 B12R2.665 O=C(NC1CC(C1)F)C2CC2 240690a_100016993743_100000210395 [0,0,0,2,0,0|2,0,0]=4 11619 B12R2.665 O=C(NC1CC(C1)F)C2CC2 527a_100016993743_100000210395 [0,0,0,2,0,0|2,0,0]=4 11620 B12R2.665 O=C(N[C@H]1C[C@@H](C1)O)C2CC2 11a_100020629032_100000210395 [0,0,0,2,0,0|2,0,0]=4 11621 B12R2.665 O=C(N[C@H]1C[C@@H](C1)O)C2CC2 1626a_100020629032_100000210395 [0,0,0,2,0,0|2,0,0]=4 11622 B12R2.665 O=C(N[C@H]1C[C@@H](C1)O)C2CC2 240690a_100020629032_100000210395 [0,0,0,2,0,0|2,0,0]=4 11623 B12R2.665 O=C(N[C@H]1C[C@@H](C1)O)C2CC2 527a_100020629032_100000210395 [0,0,0,2,0,0|2,0,0]=4 11624 B12R2.1498 CCCC(=O)NC12CC(C1)C2 11a_100016993715_100000211992 [0,0,0,2,0,0|1,0,0]=3 11625 B12R2.1498 CCCC(=O)NC12CC(C1)C2 1626a_100016993715_100000211992 [0,0,0,2,0,0|1,0,0]=3 11626 B12R2.1498 CCCC(=O)NC12CC(C1)C2 240690a_100016993715_100000211992 [0,0,0,2,0,0|1,0,0]=3 11627 B12R2.1498 CCCC(=O)NC12CC(C1)C2 527a_100016993715_100000211992 [0,0,0,2,0,0|1,0,0]=3 11628 B12R2.1498 CCNC(=O)NC12CC(C1)C2 2708a_100015525214_100016993715 [0,0,0,2,0,0|2,0,0]=4 11629 B12R2.1498 CCNC(=O)NC12CC(C1)C2 273464a_100015525214_100016993715 [0,0,0,2,0,0|2,0,0]=4 11630 B12R2.1498 CCNC(=O)NC12CC(C1)C2 273464a_100016993715_100015525214 [0,0,0,2,0,0|2,0,0]=4 11631 B12R2.1498 CCNC(=O)NC12CC(C1)C2 512a_100015525214_100016993715 [0,0,0,2,0,0|2,0,0]=4 11632 B12R2.1498 CCNC(=O)NC12CC(C1)C2 512a_100016993715_100015525214 [0,0,0,2,0,0|2,0,0]=4 11633 B12R2.1498 COCC(=O)NC12CC(C1)C2 11a_100016993715_100000210968 [0,0,0,2,0,0|2,0,0]=4 11634 B12R2.1498 COCC(=O)NC12CC(C1)C2 1626a_100016993715_100000210968 [0,0,0,2,0,0|2,0,0]=4 11635 B12R2.1498 COCC(=O)NC12CC(C1)C2 240690a_100016993715_100000210968 [0,0,0,2,0,0|2,0,0]=4 11636 B12R2.1498 COCC(=O)NC12CC(C1)C2 527a_100016993715_100000210968 [0,0,0,2,0,0|2,0,0]=4 11637 B12R2.1498 CSCC(=O)NC12CC(C1)C2 11a_100016993715_100000184570 [0,0,0,2,0,0|2,0,0]=4 11638 B12R2.1498 CSCC(=O)NC12CC(C1)C2 1626a_100016993715_100000184570 [0,0,0,2,0,0|2,0,0]=4 11639 B12R2.1498 CSCC(=O)NC12CC(C1)C2 240690a_100016993715_100000184570 [0,0,0,2,0,0|2,0,0]=4 11640 B12R2.1498 CSCC(=O)NC12CC(C1)C2 527a_100016993715_100000184570 [0,0,0,2,0,0|2,0,0]=4 11641 B12R2.1498 O=C(CCO)NC12CC(C1)C2 240690a_100016993715_100011216618 [0,0,0,2,0,0|2,0,0]=4 11642 B12R2.4794 CC(OCCC1CC1)C2CC2 34a_100000744524_100000694398 [0,0,0,2,0,0|1,0,1]=4 11643 B12R2.4794 CC(OCCC1CC1)C2CC2 7a_100000744524_100000764125 [0,0,0,2,0,0|1,0,1]=4 11644 B12R2.4794 O=C(CCCC1CO1)C2CC2 1458a_100000210395_100000733510 [0,0,0,2,0,0|2,0,0]=4 11645 B12R2.4794 O=C(CNCC1CC1)C2CC2 2230a_100000735609_100000746382 [0,0,0,2,0,0|2,0,0]=4 11646 B12R2.4794 O=C(CNCC1CC1)C2CC2 34a_100000735609_100000746382 [0,0,0,2,0,0|2,0,0]=4 11647 B12R2.4794 O=C(COCC1CC1)C2CC2 34a_100000211283_100000746382 [0,0,0,2,0,0|2,0,0]=4 11648 B12R2.4794 O=C(COCC1CC1)C2CC2 34a_100000686663_100000742324 [0,0,0,2,0,0|2,0,0]=4 11649 B12R2.4794 O=C(CSCC1CC1)C2CC2 62a_100000746382_100000742324 [0,0,0,2,0,0|2,0,0]=4 11650 B12R2.4794 O=C(CSCC1CC1)C2CC2 62a_100000756562_100000746382 [0,0,0,2,0,0|2,0,0]=4 11651 B12R2.4794 O=C(NCCC1CC1)C2CC2 1626a_100000764129_100000210395 [0,0,0,2,0,0|1,0,0]=3 11652 B12R2.4794 O=C(NCCC1CC1)C2CC2 240690a_100000764129_100000210395 [0,0,0,2,0,0|1,0,0]=3 11653 B12R2.4794 O=C(NCCC1CC1)C2CC2 527a_100000764129_100000210395 [0,0,0,2,0,0|1,0,0]=3 11654 B12R2.4794 O=C(NCCC1CC1)C2CO2 1626a_100000764129_100000701028 [0,0,0,2,0,0|2,0,0]=4 11655 B12R2.4794 O=C(NCCC1CC1)C2CO2 240690a_100000764129_100000701028 [0,0,0,2,0,0|2,0,0]=4 11656 B12R2.4794 O=C(NCCC1CC1)C2CO2 527a_100000764129_100000701028 [0,0,0,2,0,0|2,0,0]=4 11657 B12R2.4794 O=C(NNCC1CC1)C2CC2 22a_100000736359_100000210395 [0,0,0,2,0,0|2,0,0]=4 11658 B12R2.4794 O=C(OCNC1CC1)C2CC2 34a_100000212008_100000140896 [0,0,0,2,0,0|1,0,0]=3 11659 B12R2.4794 O=C(OCSC1CC1)C2CC2 62a_100000140896_100000211595 [0,0,0,2,0,0|1,0,0]=3 11660 B12R2.5216 CC1(CCC1)OCCC2CC2 34a_100000759064_100000694398 [0,0,0,2,0,0|1,0,1]=4 11661 B12R2.5216 CC1(CCC1)OCCC2CC2 7a_100000759064_100000764125 [0,0,0,2,0,0|1,0,1]=4 11662 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [1,0,0,0,1,0|0,0,2]=4 11663 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,0,0,0,1,0|0,0,2]=4 11664 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,0,0,0,1,0|0,0,2]=4 11665 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,0,0,0,1,0|0,0,2]=4 11666 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,0,0,0,1,0|1,0,0]=3 11667 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,0,0,0,1,0|1,0,0]=3 11668 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [1,0,0,0,1,0|2,0,0]=4 11669 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [1,0,0,0,1,0|2,0,0]=4 11670 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [1,0,0,0,1,0|2,0,0]=4 11671 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [1,0,0,0,1,0|2,0,0]=4 11672 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,0,0,0,1,0|2,0,0]=4 11673 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,0,0,0,1,0|0,0,2]=4 11674 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,0,0,0,1,0|0,0,2]=4 11675 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,0,0,0,1,0|0,0,2]=4 11676 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,0,0,0,1,0|0,0,0]=2 11677 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,0,0,0,1,0|0,0,0]=2 11678 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,0,0,0,1,0|1,0,0]=3 11679 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,0,0,0,1,0|1,0,0]=3 11680 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,0,0,0,1,0|1,0,0]=3 11681 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,0,0,0,1,0|1,0,0]=3 11682 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,0,0,0,1,0|1,0,0]=3 11683 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,0,0,0,1,0|1,0,0]=3 11684 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,0,0,0,1,0|1,0,0]=3 11685 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,0,0,0,1,0|1,0,0]=3 11686 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,0,0,0,1,0|1,0,0]=3 11687 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,0,0,0,1,0|1,0,0]=3 11688 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,0,0,0,1,0|1,0,0]=3 11689 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,0,0,0,1,0|2,0,0]=4 11690 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,0,0,0,1,0|2,0,0]=4 11691 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,0,0,0,1,0|2,0,0]=4 11692 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [1,0,0,0,1,0|2,0,0]=4 11693 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [1,0,0,0,1,0|1,0,1]=4 11694 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [1,0,0,0,1,0|1,0,1]=4 11695 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [1,0,0,0,1,0|2,0,0]=4 11696 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [1,0,0,0,1,0|2,0,0]=4 11697 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [1,0,0,0,1,0|2,0,0]=4 11698 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [1,0,0,0,1,0|2,0,0]=4 11699 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [1,0,0,0,1,0|2,0,0]=4 11700 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [1,0,0,0,1,0|2,0,0]=4 11701 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [1,0,0,0,1,0|2,0,0]=4 11702 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [1,0,0,0,1,0|2,0,0]=4 11703 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,0,0,0,1,0|1,0,0]=3 11704 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,0,0,0,1,0|1,0,0]=3 11705 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,0,0,0,1,0|1,0,0]=3 11706 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,0,0,0,1,0|1,0,0]=3 11707 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,0,0,0,1,0|2,0,0]=4 11708 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [1,0,0,0,1,0|2,0,0]=4 11709 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [1,0,0,0,1,0|2,0,0]=4 11710 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [1,0,0,0,1,0|2,0,0]=4 11711 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [1,0,0,0,1,0|2,0,0]=4 11712 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [1,0,0,0,1,0|2,0,0]=4 11713 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [1,0,0,0,1,0|2,0,0]=4 11714 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [1,0,0,0,1,0|2,0,0]=4 11715 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [1,0,0,0,1,0|2,0,0]=4 11716 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [1,0,0,0,1,0|2,0,0]=4 11717 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [1,0,0,0,1,0|2,0,0]=4 11718 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [1,0,0,0,1,0|2,0,0]=4 11719 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [1,0,0,0,1,0|2,0,0]=4 11720 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [1,0,0,0,1,0|2,0,0]=4 11721 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [1,0,0,0,1,0|2,0,0]=4 11722 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [1,0,0,0,1,0|2,0,0]=4 11723 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [1,0,0,0,1,0|2,0,0]=4 11724 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [1,0,0,0,1,0|2,0,0]=4 11725 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [1,0,0,0,1,0|2,0,0]=4 11726 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [1,0,0,0,1,0|2,0,0]=4 11727 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [1,0,0,0,1,0|2,0,0]=4 11728 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [1,0,0,0,1,0|2,0,0]=4 11729 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [1,0,0,0,1,0|2,0,0]=4 11730 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [1,0,0,0,1,0|2,0,0]=4 11731 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [1,0,0,0,1,0|2,0,0]=4 11732 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [1,0,0,0,1,0|2,0,0]=4 11733 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [1,0,0,0,1,0|2,0,0]=4 11734 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [1,0,0,0,1,0|2,0,0]=4 11735 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,0,0,0,1,0|2,0,0]=4 11736 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,0,0,0,1,0|2,0,0]=4 11737 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,0,0,0,1,0|2,0,0]=4 11738 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,0,0,0,1,0|2,0,0]=4 11739 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,0,0,0,1,0|2,0,0]=4 11740 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,0,0,0,1,0|2,0,0]=4 11741 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,0,0,0,1,0|2,0,0]=4 11742 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,0,0,0,1,0|2,0,0]=4 11743 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,0,0,0,1,0|2,0,0]=4 11744 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,0,0,0,1,0|2,0,0]=4 11745 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,0,0,0,1,0|2,0,0]=4 11746 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,0,0,0,1,0|2,0,0]=4 11747 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,0,0,0,1,0|2,0,0]=4 11748 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,0,0,0,1,0|2,0,0]=4 11749 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,0,0,0,1,0|2,0,0]=4 11750 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [1,0,0,0,1,0|2,0,0]=4 11751 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,0,0,0,2,0|0,0,2]=4 11752 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,0,0,0,2,0|0,0,2]=4 11753 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,0,0,0,2,0|0,0,2]=4 11754 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,0,0,0,2,0|0,0,2]=4 11755 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,0,0,0,2,0|0,0,2]=4 11756 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,0,0,0,2,0|0,0,2]=4 11757 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,0,0,0,2,0|1,0,1]=4 11758 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,0,0,0,2,0|1,0,1]=4 11759 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,0,0,0,2,0|1,0,0]=3 11760 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,0,0,0,2,0|1,0,0]=3 11761 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,0,0,0,2,0|1,0,0]=3 11762 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,0,0,0,2,0|2,0,0]=4 11763 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,0,0,0,2,0|2,0,0]=4 11764 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,0,0,0,2,0|2,0,0]=4 11765 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,0,0,0,2,0|2,0,0]=4 11766 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,0,0,0,2,0|1,0,0]=3 11767 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,0,0,0,2,0|1,0,0]=3 11768 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,0,0,0,2,0|2,0,0]=4 11769 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,0,0,0,2,0|0,0,2]=4 11770 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,0,0,0,2,0|0,0,2]=4 11771 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,2,0|1,0,1]=4 11772 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,0,0,0,2,0|0,0,0]=2 11773 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,0,0,0,2,0|0,0,0]=2 11774 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,0,0,0,2,0|1,0,0]=3 11775 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,0,0,0,2,0|2,0,0]=4 11776 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,0,0,0,2,0|1,0,0]=3 11777 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,0,0,0,2,0|1,0,0]=3 11778 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,0,0,0,2,0|1,0,0]=3 11779 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,0,0,0,2,0|1,0,0]=3 11780 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,0,0,0,2,0|1,0,0]=3 11781 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,0,0,0,2,0|1,0,0]=3 11782 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,0,0,0,2,0|1,0,0]=3 11783 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,0,0,0,2,0|1,0,0]=3 11784 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,0,0,0,2,0|1,0,0]=3 11785 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,0,0,0,2,0|1,0,1]=4 11786 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,0,0,0,2,0|1,0,1]=4 11787 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,0,0,0,2,0|1,0,1]=4 11788 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,0,0,0,2,0|2,0,0]=4 11789 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,0,0,0,2,0|2,0,0]=4 11790 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,0,0,0,2,0|2,0,0]=4 11791 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,0,0,0,2,0|2,0,0]=4 11792 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,0,0,0,2,0|2,0,0]=4 11793 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,0,0,0,2,0|1,0,0]=3 11794 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,0,0,0,2,0|1,0,0]=3 11795 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,0,0,0,2,0|1,0,0]=3 11796 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,0,0,0,2,0|2,0,0]=4 11797 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,0,0,0,2,0|2,0,0]=4 11798 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,0,0,0,2,0|2,0,0]=4 11799 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,0,0,0,2,0|2,0,0]=4 11800 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,0,0,0,2,0|2,0,0]=4 11801 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,0,0,0,2,0|2,0,0]=4 11802 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,0,0,0,2,0|2,0,0]=4 11803 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,0,0,0,2,0|2,0,0]=4 11804 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,0,0,0,2,0|2,0,0]=4 11805 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,0,0,0,2,0|2,0,0]=4 11806 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,0,0,0,2,0|2,0,0]=4 11807 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,0,0,0,2,0|2,0,0]=4 11808 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,0,0,0,2,0|2,0,0]=4 11809 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,0,0,0,2,0|2,0,0]=4 11810 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,0,0,0,2,0|2,0,0]=4 11811 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,0,0,0,2,0|2,0,0]=4 11812 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,0,0,0,2,0|2,0,0]=4 11813 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,0,0,0,2,0|2,0,0]=4 11814 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,0,0,0,2,0|2,0,0]=4 11815 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,0,0,0,2,0|2,0,0]=4 11816 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,0,0,0,2,0|2,0,0]=4 11817 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,0,0,0,2,0|2,0,0]=4 11818 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,0,0,0,2,0|2,0,0]=4 11819 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,0,0,0,2,0|2,0,0]=4 11820 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,0,0,0,2,0|2,0,0]=4 11821 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,0,0,0,2,0|2,0,0]=4 11822 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,0,0,0,2,0|2,0,0]=4 11823 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,0,0,0,2,0|2,0,0]=4 11824 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,0,0,0,2,0|1,0,0]=3 11825 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,0,0,0,2,0|1,0,0]=3 11826 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,0,0,0,2,0|1,0,0]=3 11827 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,0,0,0,2,0|2,0,0]=4 11828 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,0,0,0,2,0|1,0,0]=3 11829 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,0,0,0,2,0|2,0,0]=4 11830 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,0,0,0,2,0|2,0,0]=4 11831 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,0,0,0,2,0|2,0,0]=4 11832 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,0,0,0,2,0|2,0,0]=4 11833 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,0,0,0,2,0|2,0,0]=4 11834 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,0,0,0,2,0|2,0,0]=4 11835 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,0,0,0,2,0|1,0,0]=3 11836 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,0,0,0,2,0|1,0,0]=3 11837 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,0,0,0,2,0|2,0,0]=4 11838 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,0,0,0,2,0|2,0,0]=4 11839 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,0,0,0,2,0|2,0,0]=4 11840 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,0,0,0,2,0|2,0,0]=4 11841 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,0,0,0,2,0|2,0,0]=4 11842 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,0,0,0,2,0|2,0,0]=4 11843 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,0,0,0,2,0|2,0,0]=4 11844 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,0,0,0,2,0|1,0,0]=3 11845 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,0,0,0,2,0|1,0,0]=3 11846 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,0,0,0,2,0|2,0,0]=4 11847 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,0,0,0,2,0|2,0,0]=4 11848 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,0,0,0,2,0|2,0,0]=4 11849 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,0,0,0,2,0|2,0,0]=4 11850 B12R0.277 C=C(C)CCOCOC(=O)CCC 34a_100000764851_100000034017 [0,0,0,0,0,2|0,0,2]=4 11851 B12R0.277 C=C(C)CCSCOC(=O)CCC 62a_100000730704_100000034017 [0,0,0,0,0,2|0,0,2]=4 11852 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [0,0,0,0,0,2|2,0,0]=4 11853 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [0,0,0,0,0,2|2,0,0]=4 11854 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [0,0,0,0,0,2|2,0,0]=4 11855 B12R0.277 CC(C)CCCOCC(=O)NCO 34a_100000210774_100000185155 [0,0,0,0,0,2|2,0,0]=4 11856 B12R0.277 CC(C)CCCOCC(=O)NCO 7a_100000210774_100000185155 [0,0,0,0,0,2|2,0,0]=4 11857 B12R0.277 CC(C)NCCOCC(=O)NCO 34a_100000224655_100000185155 [0,0,0,0,0,2|2,0,0]=4 11858 B12R0.277 CC(C)OCCCNC(=O)CCO 240690a_100000737246_100011216618 [0,0,0,0,0,2|2,0,0]=4 11859 B12R0.277 CC(C)OCCCNC(=O)CS[13CH3] 62a_100000230355_200025704644 [0,0,0,0,0,2|2,0,0]=4 11860 B12R0.277 CC(C)OCCCNC(=O)CS[13CH3] 62a_200025704644_100000230355 [0,0,0,0,0,2|2,0,0]=4 11861 B12R0.277 CC(C)OCCOCC(=O)NCO 34a_100000211219_100000185155 [0,0,0,0,0,2|2,0,0]=4 11862 B12R0.277 CC(C)OCCOCC(=O)NCO 7a_100000211219_100000185155 [0,0,0,0,0,2|2,0,0]=4 11863 B12R0.277 CC(C)SCCOCC(=O)NCO 34a_200011212901_100000185155 [0,0,0,0,0,2|2,0,0]=4 11864 B12R0.277 CC(C)SCCOCC(=O)NCO 7a_200011212901_100000185155 [0,0,0,0,0,2|2,0,0]=4 11865 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,0,0,0,0,2|1,0,0]=3 11866 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,0,0,0,0,2|1,0,0]=3 11867 B12R0.277 CCCC(=O)CNCCCC(C)C 2230a_200000737386_100000747444 [0,0,0,0,0,2|1,0,0]=3 11868 B12R0.277 CCCC(=O)CNCCOC(C)C 2230a_100000701111_100000747444 [0,0,0,0,0,2|1,0,0]=3 11869 B12R0.277 CCCC(=O)CNCCSC(C)C 2230a_100000731138_100000747444 [0,0,0,0,0,2|1,0,0]=3 11870 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,0,0,0,0,2|1,0,1]=4 11871 B12R0.277 CCCC(=O)COCCCC(C)C 7a_100000210774_100000747444 [0,0,0,0,0,2|0,0,0]=2 11872 B12R0.277 CCCC(=O)COCCOC(C)C 7a_100000211219_100000747444 [0,0,0,0,0,2|0,0,0]=2 11873 B12R0.277 CCCC(=O)COCCSC(C)C 7a_200011212901_100000747444 [0,0,0,0,0,2|0,0,0]=2 11874 B12R0.277 CCCC(=O)CSCCC=C(C)C 62a_100000747444_100011217483 [0,0,0,0,0,2|0,1,1]=4 11875 B12R0.277 CCCC(=O)CSCCC=C(C)C 62a_100011217483_100000747444 [0,0,0,0,0,2|0,1,1]=4 11876 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100000747444_100011214892 [0,0,0,0,0,2|0,1,0]=3 11877 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100011214892_100000747444 [0,0,0,0,0,2|0,1,0]=3 11878 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [0,0,0,0,0,2|1,1,0]=4 11879 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [0,0,0,0,0,2|1,1,0]=4 11880 B12R0.277 CCCC(=O)CSCCCN(C)C 62a_100000747444_100000757444 [0,0,0,0,0,2|1,1,0]=4 11881 B12R0.277 CCCC(=O)CSCCOC(C)C 62a_100000211751_100000747444 [0,0,0,0,0,2|0,1,0]=3 11882 B12R0.277 CCCC(=O)CSCCOC(C)C 62a_100000747444_100000211751 [0,0,0,0,0,2|0,1,0]=3 11883 B12R0.277 CCCC(=O)CSCCSC(C)C 62a_100000730970_100000747444 [0,0,0,0,0,2|0,1,0]=3 11884 B12R0.277 CCCC(=O)CSCCSC(C)C 62a_100000747444_100000730970 [0,0,0,0,0,2|0,1,0]=3 11885 B12R0.277 CCCC(=O)NCCCCN(C)C 240690a_100025707445_100000211992 [0,0,0,0,0,2|2,0,0]=4 11886 B12R0.277 CCCC(=O)NCCCOC(C)C 11a_100000737246_100000211992 [0,0,0,0,0,2|1,0,0]=3 11887 B12R0.277 CCCC(=O)NCCCOC(C)C 1626a_100000737246_100000211992 [0,0,0,0,0,2|1,0,0]=3 11888 B12R0.277 CCCC(=O)NCCCOC(C)C 240690a_100000737246_100000211992 [0,0,0,0,0,2|1,0,0]=3 11889 B12R0.277 CCCC(=O)NCCCOC(C)C 527a_100000737246_100000211992 [0,0,0,0,0,2|1,0,0]=3 11890 B12R0.277 CCCC(=O)OCNCC=C(C)C 34a_100000718196_100000034017 [0,0,0,0,0,2|0,0,1]=3 11891 B12R0.277 CCCC(=O)OCNCCC(C)O 2230a_200000755665_100000034017 [0,0,0,0,0,2|1,0,0]=3 11892 B12R0.277 CCCC(=O)OCOCC=C(C)C 34a_100000753907_100000034017 [0,0,0,0,0,2|0,0,1]=3 11893 B12R0.277 CCCC(=O)OCOCCC(=O)C 34a_100000759926_100000034017 [0,0,0,0,0,2|1,0,1]=4 11894 B12R0.277 CCCC(=O)OCOCCC(C)Br 34a_100009893172_100000034017 [0,0,0,0,0,2|1,0,0]=3 11895 B12R0.277 CCCC(=O)OCOCCC(C)C 34a_100000210254_100000034017 [0,0,0,0,0,2|0,0,0]=2 11896 B12R0.277 CCCC(=O)OCOCCC(F)F 34a_100103093639_100000034017 [0,0,0,0,0,2|2,0,0]=4 11897 B12R0.277 CCCC(=O)OCOCC[C@@H](C)N 34a_100000706166_100000034017 [0,0,0,0,0,2|1,0,0]=3 11898 B12R0.277 CCCC(=O)OCSCC=C(C)C 62a_100000761012_100000034017 [0,0,0,0,0,2|0,0,1]=3 11899 B12R0.277 CCCC(=O)OCSCCC(=O)C 62a_100000053229_100000034017 [0,0,0,0,0,2|1,0,1]=4 11900 B12R0.277 CCCC(=O)OCSCCC(C)C 62a_100000210312_100000034017 [0,0,0,0,0,2|0,0,0]=2 11901 B12R0.277 CCCC(=O)OCSCCC(C)O 62a_100012276601_100000034017 [0,0,0,0,0,2|1,0,0]=3 11902 B12R0.277 CCCC(=O)OCSCOC(=O)C 62a_100000076356_100000034017 [0,0,0,0,0,2|1,0,1]=4 11903 B12R0.277 CCCC(=O)OCSCOC(C)C 62a_100000709892_100000034017 [0,0,0,0,0,2|0,0,0]=2 11904 B12R0.277 CCCC(C)CCOCCC(C)C 34a_100011217855_100000210312 [0,0,0,0,0,2|1,0,1]=4 11905 B12R0.277 CCCC(C)CCOCCC(C)C 7a_100011217855_100000210626 [0,0,0,0,0,2|1,0,1]=4 11906 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000210774_100011216630 [0,0,0,0,0,2|1,0,1]=4 11907 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000688023_100011214892 [0,0,0,0,0,2|1,0,1]=4 11908 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000210774_100011216630 [0,0,0,0,0,2|1,0,1]=4 11909 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000688023_100011214892 [0,0,0,0,0,2|1,0,1]=4 11910 B12R0.277 CCCC(C)COCCNC(C)C 34a_100000224655_100011216630 [0,0,0,0,0,2|1,0,1]=4 11911 B12R0.277 CCCC(C)COCCOC(C)C 34a_100000211219_100011216630 [0,0,0,0,0,2|1,0,1]=4 11912 B12R0.277 CCCC(C)COCCOC(C)C 34a_100000688023_100000211751 [0,0,0,0,0,2|1,0,1]=4 11913 B12R0.277 CCCC(C)COCCOC(C)C 7a_100000211219_100011216630 [0,0,0,0,0,2|1,0,1]=4 11914 B12R0.277 CCCC(C)COCCOC(C)C 7a_100000688023_100000211751 [0,0,0,0,0,2|1,0,1]=4 11915 B12R0.277 CCCC(C)COCCSC(C)C 34a_100000688023_100000730970 [0,0,0,0,0,2|1,0,1]=4 11916 B12R0.277 CCCC(C)COCCSC(C)C 34a_200011212901_100011216630 [0,0,0,0,0,2|1,0,1]=4 11917 B12R0.277 CCCC(C)COCCSC(C)C 7a_100000688023_100000730970 [0,0,0,0,0,2|1,0,1]=4 11918 B12R0.277 CCCC(C)COCCSC(C)C 7a_200011212901_100011216630 [0,0,0,0,0,2|1,0,1]=4 11919 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100000764384_100011216152 [0,0,0,0,0,2|1,0,1]=4 11920 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100011214890_100000766640 [0,0,0,0,0,2|1,0,1]=4 11921 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100000764384_100011216152 [0,0,0,0,0,2|1,0,1]=4 11922 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100011214890_100000766640 [0,0,0,0,0,2|1,0,1]=4 11923 B12R0.277 CCCC(C)OCCCNC(C)C 34a_100000182298_100000766640 [0,0,0,0,0,2|1,0,1]=4 11924 B12R0.277 CCCC(C)OCCNCC(C)C 34a_100015185251_100000766640 [0,0,0,0,0,2|1,0,1]=4 11925 B12R0.277 CCCC(C)OCCOCC(C)C 34a_100000703358_100000766640 [0,0,0,0,0,2|1,0,1]=4 11926 B12R0.277 CCCC(C)OCCOCC(C)C 7a_100000703358_100000766640 [0,0,0,0,0,2|1,0,1]=4 11927 B12R0.277 CCCC(C)OCCSCC(C)C 34a_200000230437_100000766640 [0,0,0,0,0,2|1,0,1]=4 11928 B12R0.277 CCCC(C)OCCSCC(C)C 7a_200000230437_100000766640 [0,0,0,0,0,2|1,0,1]=4 11929 B12R0.277 CCC[C@H](N)CCOCCC(C)C 34a_100015193777_100000210312 [0,0,0,0,0,2|1,0,1]=4 11930 B12R0.277 CCC[C@H](N)COCCCC(C)C 34a_100000732646_100011214892 [0,0,0,0,0,2|1,0,1]=4 11931 B12R0.277 CCC[C@H](N)COCCOC(C)C 34a_100000732646_100000211751 [0,0,0,0,0,2|1,0,1]=4 11932 B12R0.277 CCC[C@H](N)COCCSC(C)C 34a_100000732646_100000730970 [0,0,0,0,0,2|1,0,1]=4 11933 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [0,0,0,0,0,2|2,0,0]=4 11934 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [0,0,0,0,0,2|2,0,0]=4 11935 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [0,0,0,0,0,2|2,0,0]=4 11936 B12R0.277 CCNC(=O)CCNCCC(C)C 269862a_100025743525_100000185833 [0,0,0,0,0,2|2,0,0]=4 11937 B12R0.277 CCNC(=O)CCNCCC(C)C 34a_100025743525_100000210312 [0,0,0,0,0,2|2,0,0]=4 11938 B12R0.277 CCNC(=O)CCNCOC(C)C 34a_100025743525_100000709892 [0,0,0,0,0,2|2,0,0]=4 11939 B12R0.277 CCNC(=O)CCOCCC(C)C 7a_100000210254_100000737597 [0,0,0,0,0,2|1,0,0]=3 11940 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000210312_100000737597 [0,0,0,0,0,2|1,1,0]=4 11941 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000737597_100000210312 [0,0,0,0,0,2|1,1,0]=4 11942 B12R0.277 CCNC(=O)CCSCOC(C)C 62a_100000709892_100000737597 [0,0,0,0,0,2|2,0,0]=4 11943 B12R0.277 CCNC(=O)CCSCOC(C)C 62a_100000737597_100000709892 [0,0,0,0,0,2|2,0,0]=4 11944 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_100016988866_100011214892 [0,0,0,0,0,2|2,0,0]=4 11945 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183381 [0,0,0,0,0,2|2,0,0]=4 11946 B12R0.277 CCNC(=O)CNCCCC(C)C 34a_200000737386_100000183381 [0,0,0,0,0,2|2,0,0]=4 11947 B12R0.277 CCNC(=O)CNCCOC(C)C 2230a_100000701111_100000183381 [0,0,0,0,0,2|2,0,0]=4 11948 B12R0.277 CCNC(=O)CNCCOC(C)C 2230a_100016988866_100000211751 [0,0,0,0,0,2|2,0,0]=4 11949 B12R0.277 CCNC(=O)CNCCOC(C)C 34a_100000701111_100000183381 [0,0,0,0,0,2|2,0,0]=4 11950 B12R0.277 CCNC(=O)CNCCSC(C)C 2230a_100000731138_100000183381 [0,0,0,0,0,2|2,0,0]=4 11951 B12R0.277 CCNC(=O)CNCCSC(C)C 2230a_100016988866_100000730970 [0,0,0,0,0,2|2,0,0]=4 11952 B12R0.277 CCNC(=O)CNCCSC(C)C 34a_100000731138_100000183381 [0,0,0,0,0,2|2,0,0]=4 11953 B12R0.277 CCNC(=O)COCCCC(C)C 34a_100000210774_100000183381 [0,0,0,0,0,2|1,0,0]=3 11954 B12R0.277 CCNC(=O)COCCCC(C)C 7a_100000210774_100000183381 [0,0,0,0,0,2|1,0,0]=3 11955 B12R0.277 CCNC(=O)COCCNC(C)C 34a_100000224655_100000183381 [0,0,0,0,0,2|1,0,0]=3 11956 B12R0.277 CCNC(=O)COCCOC(C)C 34a_100000211219_100000183381 [0,0,0,0,0,2|1,0,0]=3 11957 B12R0.277 CCNC(=O)COCCOC(C)C 7a_100000211219_100000183381 [0,0,0,0,0,2|1,0,0]=3 11958 B12R0.277 CCNC(=O)COCCSC(C)C 34a_200011212901_100000183381 [0,0,0,0,0,2|1,0,0]=3 11959 B12R0.277 CCNC(=O)COCCSC(C)C 7a_200011212901_100000183381 [0,0,0,0,0,2|1,0,0]=3 11960 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100000183381_100011214892 [0,0,0,0,0,2|1,1,0]=4 11961 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100011214892_100000183381 [0,0,0,0,0,2|1,1,0]=4 11962 B12R0.277 CCNC(=O)CSCCOC(C)C 62a_100000183381_100000211751 [0,0,0,0,0,2|1,1,0]=4 11963 B12R0.277 CCNC(=O)CSCCOC(C)C 62a_100000211751_100000183381 [0,0,0,0,0,2|1,1,0]=4 11964 B12R0.277 CCNC(=O)CSCCSC(C)C 62a_100000183381_100000730970 [0,0,0,0,0,2|1,1,0]=4 11965 B12R0.277 CCNC(=O)CSCCSC(C)C 62a_100000730970_100000183381 [0,0,0,0,0,2|1,1,0]=4 11966 B12R0.277 CCNC(=O)NCCCOC(C)C 2708a_100000737246_100015525214 [0,0,0,0,0,2|2,0,0]=4 11967 B12R0.277 CCNC(=O)NCCCOC(C)C 2708a_100015525214_100000737246 [0,0,0,0,0,2|2,0,0]=4 11968 B12R0.277 CCNC(=O)NCCCOC(C)C 273464a_100000737246_100015525214 [0,0,0,0,0,2|2,0,0]=4 11969 B12R0.277 CCNC(=O)NCCCOC(C)C 273464a_100015525214_100000737246 [0,0,0,0,0,2|2,0,0]=4 11970 B12R0.277 CCNC(=O)NCCCOC(C)C 512a_100000737246_100015525214 [0,0,0,0,0,2|2,0,0]=4 11971 B12R0.277 CCNC(=O)NCCCOC(C)C 512a_100015525214_100000737246 [0,0,0,0,0,2|2,0,0]=4 11972 B12R0.277 CCOC(=O)/C=C/CNCC(C)C 2230a_100000210953_100016267167 [0,0,0,0,0,2|2,0,0]=4 11973 B12R0.277 CCOC(=O)/C=C/CNCC(C)C 34a_100000210953_100016267167 [0,0,0,0,0,2|2,0,0]=4 11974 B12R0.277 CCOC(=O)/C=C/COCC(C)C 34a_100000210257_100016267167 [0,0,0,0,0,2|2,0,0]=4 11975 B12R0.277 CCOC(=O)/C=C/CSCC(C)C 62a_100000210624_100016267167 [0,0,0,0,0,2|2,0,0]=4 11976 B12R0.277 CCOC(=O)/C=C/CSCC(C)C 62a_100016267167_100000210760 [0,0,0,0,0,2|2,0,0]=4 11977 B12R0.277 CCOC(=O)CCCCNC(C)C 2230a_100138425928_100000750268 [0,0,0,0,0,2|2,0,0]=4 11978 B12R0.277 CCOC(=O)CCCCNC(C)C 34a_100138425928_100000750268 [0,0,0,0,0,2|2,0,0]=4 11979 B12R0.277 CCOC(=O)CCCCOC(C)C 34a_100000212225_100000750268 [0,0,0,0,0,2|2,0,0]=4 11980 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000210206_100000750268 [0,0,0,0,0,2|2,0,0]=4 11981 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000750268_100000210206 [0,0,0,0,0,2|2,0,0]=4 11982 B12R0.277 CCOC(=O)CCCNCC(C)C 2230a_100000210953_100009991533 [0,0,0,0,0,2|2,0,0]=4 11983 B12R0.277 CCOC(=O)CCCNCC(C)C 34a_100000210953_100009991533 [0,0,0,0,0,2|2,0,0]=4 11984 B12R0.277 CCOC(=O)CCCOCC(C)C 34a_100000210257_100009991533 [0,0,0,0,0,2|2,0,0]=4 11985 B12R0.277 CCOC(=O)CCCOCC(C)C 7a_100012001163_100000210760 [0,0,0,0,0,2|2,0,0]=4 11986 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100000210624_100009991533 [0,0,0,0,0,2|2,0,0]=4 11987 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100009991533_100000210760 [0,0,0,0,0,2|2,0,0]=4 11988 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [0,0,0,0,0,2|2,0,0]=4 11989 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [0,0,0,0,0,2|1,0,0]=3 11990 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [0,0,0,0,0,2|1,0,0]=3 11991 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [0,0,0,0,0,2|2,0,0]=4 11992 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000210312_100000765890 [0,0,0,0,0,2|1,1,0]=4 11993 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000765890_100000210312 [0,0,0,0,0,2|1,1,0]=4 11994 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000709892_100000765890 [0,0,0,0,0,2|2,0,0]=4 11995 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000765890_100000709892 [0,0,0,0,0,2|2,0,0]=4 11996 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [0,0,0,0,0,2|2,0,0]=4 11997 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [0,0,0,0,0,2|2,0,0]=4 11998 B12R0.277 CCOC(=O)CNCCOC(C)C 2230a_100000701111_100000188475 [0,0,0,0,0,2|2,0,0]=4 11999 B12R0.277 CCOC(=O)CNCCOC(C)C 34a_100000701111_100000188475 [0,0,0,0,0,2|2,0,0]=4 12000 B12R0.277 CCOC(=O)CNCCSC(C)C 2230a_100000731138_100000188475 [0,0,0,0,0,2|2,0,0]=4 12001 B12R0.277 CCOC(=O)CNCCSC(C)C 34a_100000731138_100000188475 [0,0,0,0,0,2|2,0,0]=4 12002 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [0,0,0,0,0,2|1,0,0]=3 12003 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [0,0,0,0,0,2|1,0,0]=3 12004 B12R0.277 CCOC(=O)COCCCN(C)C 2230a_100102631434_100009893628 [0,0,0,0,0,2|2,0,0]=4 12005 B12R0.277 CCOC(=O)COCCCN(C)C 269982a_100102631434_100009893628 [0,0,0,0,0,2|2,0,0]=4 12006 B12R0.277 CCOC(=O)COCCNC(C)C 2230a_100138425928_100000088970 [0,0,0,0,0,2|1,0,0]=3 12007 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100000224655_100000188475 [0,0,0,0,0,2|1,0,0]=3 12008 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100138425928_100000088970 [0,0,0,0,0,2|1,0,0]=3 12009 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000211219_100000188475 [0,0,0,0,0,2|1,0,0]=3 12010 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000212225_100000088970 [0,0,0,0,0,2|1,0,0]=3 12011 B12R0.277 CCOC(=O)COCCOC(C)C 7a_100000211219_100000188475 [0,0,0,0,0,2|1,0,0]=3 12012 B12R0.277 CCOC(=O)COCCSC(C)C 34a_200011212901_100000188475 [0,0,0,0,0,2|1,0,0]=3 12013 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000088970_100000210206 [0,0,0,0,0,2|1,0,0]=3 12014 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000210206_100000088970 [0,0,0,0,0,2|1,0,0]=3 12015 B12R0.277 CCOC(=O)COCCSC(C)C 7a_200011212901_100000188475 [0,0,0,0,0,2|1,0,0]=3 12016 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [0,0,0,0,0,2|1,1,0]=4 12017 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [0,0,0,0,0,2|1,1,0]=4 12018 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000188475_100000211751 [0,0,0,0,0,2|1,1,0]=4 12019 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000211751_100000188475 [0,0,0,0,0,2|1,1,0]=4 12020 B12R0.277 CCOC(=O)CSCCOC(C)C 7a_200000230590_100000210206 [0,0,0,0,0,2|1,1,0]=4 12021 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000188475_100000730970 [0,0,0,0,0,2|1,1,0]=4 12022 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000730970_100000188475 [0,0,0,0,0,2|1,1,0]=4 12023 B12R0.277 CCOC(=O)NCCOCC(C)C 34a_100000158857_100000210624 [0,0,0,0,0,2|2,0,0]=4 12024 B12R0.277 CCOC(=O)NCCSCC(C)C 62a_100000210624_200011445536 [0,0,0,0,0,2|2,0,0]=4 12025 B12R0.277 CCOC(=O)OCSCC=C(C)C 62a_100000761012_100000075025 [0,0,0,0,0,2|1,0,1]=4 12026 B12R0.277 CCOC(=O)OCSCCC(C)C 62a_100000210312_100000075025 [0,0,0,0,0,2|1,0,0]=3 12027 B12R0.277 CCOC(=O)OCSCCC(C)O 62a_100012276601_100000075025 [0,0,0,0,0,2|2,0,0]=4 12028 B12R0.277 CCOC(=O)OCSCOC(C)C 62a_100000709892_100000075025 [0,0,0,0,0,2|1,0,0]=3 12029 B12R0.277 CNCC(=O)NCCCOC(C)C 2230a_106832991635_100000230355 [0,0,0,0,0,2|2,0,0]=4 12030 B12R0.277 CNCC(=O)NCCCOC(C)C 34a_100102657272_100000230355 [0,0,0,0,0,2|2,0,0]=4 12031 B12R0.277 CNCC(=O)NCCCOC(C)C 7a_106832991635_100000230355 [0,0,0,0,0,2|2,0,0]=4 12032 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [0,0,0,0,0,2|2,0,0]=4 12033 B12R0.277 COCC(=O)NCCCOC(C)C 11a_100000737246_100000210968 [0,0,0,0,0,2|2,0,0]=4 12034 B12R0.277 COCC(=O)NCCCOC(C)C 1626a_100000737246_100000210968 [0,0,0,0,0,2|2,0,0]=4 12035 B12R0.277 COCC(=O)NCCCOC(C)C 240690a_100000737246_100000210968 [0,0,0,0,0,2|2,0,0]=4 12036 B12R0.277 COCC(=O)NCCCOC(C)C 34a_100138415774_100000230355 [0,0,0,0,0,2|2,0,0]=4 12037 B12R0.277 COCC(=O)NCCCOC(C)C 527a_100000737246_100000210968 [0,0,0,0,0,2|2,0,0]=4 12038 B12R0.277 CSCC(=O)CCCCCC(C)C 1458a_100000184570_100000210682 [0,0,0,0,0,2|2,0,0]=4 12039 B12R0.277 CSCC(=O)NCCCOC(C)C 11a_100000737246_100000184570 [0,0,0,0,0,2|2,0,0]=4 12040 B12R0.277 CSCC(=O)NCCCOC(C)C 1626a_100000737246_100000184570 [0,0,0,0,0,2|2,0,0]=4 12041 B12R0.277 CSCC(=O)NCCCOC(C)C 240690a_100000737246_100000184570 [0,0,0,0,0,2|2,0,0]=4 12042 B12R0.277 CSCC(=O)NCCCOC(C)C 527a_100000737246_100000184570 [0,0,0,0,0,2|2,0,0]=4 12043 B12R0.277 CSCC(=O)NCCCOC(C)C 62a_100000230355_200000210301 [0,0,0,0,0,2|2,0,0]=4 12044 B12R0.277 CSCC(=O)NCCCOC(C)C 62a_200000210301_100000230355 [0,0,0,0,0,2|2,0,0]=4