0 B11R1.1058 CCC1(C(=O)NCCN1C)C 2230a_100011653952_200000210301 [1,0,0,0,0,0|2,0,0]=3 1 B11R1.1058 CCC1(C(=O)NCCN1C)C 269982a_100011653952_200000210301 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.1058 CCC1(C(=O)NCCN1C)C 34a_100011653952_200000210301 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.1058 CCC1(C(=O)NCCN1[13CH3])C 2230a_100011653952_200025704644 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.1058 CCC1(C(=O)NCCN1[13CH3])C 269982a_100011653952_200025704644 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.1058 CCC1(C(=O)NCCN1[13CH3])C 34a_100011653952_200025704644 [1,0,0,0,0,0|2,0,0]=3 6 B11R0.157 C#CCCCC(=O)C(CC)CC 1458a_100000211163_100000731252 [0,0,1,0,0,0|2,0,1]=4 7 B11R0.157 C#CCCCC(=O)C(CC)CC 1458a_100000690238_100000210505 [0,0,1,0,0,0|2,0,1]=4 8 B11R0.157 C#CCCNC(=O)C(CC)CC 11a_100000755551_100000211163 [0,0,1,0,0,0|1,0,1]=3 9 B11R0.157 C#CCCNC(=O)C(CC)CC 1626a_100000755551_100000211163 [0,0,1,0,0,0|1,0,1]=3 10 B11R0.157 C#CCCNC(=O)C(CC)CC 240690a_100000755551_100000211163 [0,0,1,0,0,0|1,0,1]=3 11 B11R0.157 C#CCCNC(=O)C(CC)CC 527a_100000755551_100000211163 [0,0,1,0,0,0|1,0,1]=3 12 B11R0.157 C#CCCNC(=O)C(CC)OC 11a_100000755551_100000747056 [0,0,1,0,0,0|2,0,1]=4 13 B11R0.157 C#CCCNC(=O)C(CC)OC 1626a_100000755551_100000747056 [0,0,1,0,0,0|2,0,1]=4 14 B11R0.157 C#CCCNC(=O)C(CC)OC 240690a_100000755551_100000747056 [0,0,1,0,0,0|2,0,1]=4 15 B11R0.157 C#CCCNC(=O)C(CC)OC 527a_100000755551_100000747056 [0,0,1,0,0,0|2,0,1]=4 16 B11R0.157 C#CCCNC(=O)N(CC)CC 2708a_100000755551_100000724800 [0,0,1,0,0,0|2,0,1]=4 17 B11R0.157 C#CCCNC(=O)N(CC)CC 273464a_100000755551_100000724800 [0,0,1,0,0,0|2,0,1]=4 18 B11R0.157 C=CCCCC(=O)C(CC)CC 1458a_100000211163_100000757094 [0,0,1,0,0,0|2,0,0]=3 19 B11R0.157 C=CCCCC(=O)C(CC)CC 1458a_100000766728_100000210505 [0,0,1,0,0,0|2,0,0]=3 20 B11R0.157 C=CCCCC(=O)C(CC)OC 1458a_100000747056_100000757094 [0,0,1,0,0,0|3,0,0]=4 21 B11R0.157 C=CCCCC(=O)N(CC)CC 11a_100000724800_100000766728 [0,0,1,0,0,0|3,0,0]=4 22 B11R0.157 C=CCCCC(=O)N(CC)CC 1626a_100000724800_100000766728 [0,0,1,0,0,0|3,0,0]=4 23 B11R0.157 C=CCCCC(=O)N(CC)CC 240690a_100000724800_100000766728 [0,0,1,0,0,0|3,0,0]=4 24 B11R0.157 C=CCCCC(=O)N(CC)CC 527a_100000724800_100000766728 [0,0,1,0,0,0|3,0,0]=4 25 B11R0.157 C=CCCNC(=O)C(CC)CC 11a_100015191253_100000211163 [0,0,1,0,0,0|1,0,0]=2 26 B11R0.157 C=CCCNC(=O)C(CC)CC 1626a_100015191253_100000211163 [0,0,1,0,0,0|1,0,0]=2 27 B11R0.157 C=CCCNC(=O)C(CC)CC 240690a_100015191253_100000211163 [0,0,1,0,0,0|1,0,0]=2 28 B11R0.157 C=CCCNC(=O)C(CC)CC 527a_100015191253_100000211163 [0,0,1,0,0,0|1,0,0]=2 29 B11R0.157 C=CCCNC(=O)C(CC)OC 11a_100015191253_100000747056 [0,0,1,0,0,0|2,0,0]=3 30 B11R0.157 C=CCCNC(=O)C(CC)OC 1626a_100015191253_100000747056 [0,0,1,0,0,0|2,0,0]=3 31 B11R0.157 C=CCCNC(=O)C(CC)OC 240690a_100015191253_100000747056 [0,0,1,0,0,0|2,0,0]=3 32 B11R0.157 C=CCCNC(=O)C(CC)OC 527a_100015191253_100000747056 [0,0,1,0,0,0|2,0,0]=3 33 B11R0.157 C=CCCNC(=O)C(OC)OC 11a_100015191253_100000046285 [0,0,1,0,0,0|3,0,0]=4 34 B11R0.157 C=CCCNC(=O)C(OC)OC 240690a_100015191253_100000046285 [0,0,1,0,0,0|3,0,0]=4 35 B11R0.157 C=CCCNC(=O)C(OC)OC 527a_100015191253_100000046285 [0,0,1,0,0,0|3,0,0]=4 36 B11R0.157 C=CCCNC(=O)N(CC)CC 2708a_100015191253_100000724800 [0,0,1,0,0,0|2,0,0]=3 37 B11R0.157 C=CCCNC(=O)N(CC)CC 273464a_100015191253_100000724800 [0,0,1,0,0,0|2,0,0]=3 38 B11R0.157 C=CCCNC(C)C(CC)CC 269862a_100015191253_100011393642 [0,0,1,0,0,0|2,0,1]=4 39 B11R0.157 C=CCCNC(C)C(CC)CC 270004a_100015191253_100011393642 [0,0,1,0,0,0|2,0,1]=4 40 B11R0.157 C=CCNNC(=O)C(CC)CC 22a_100020588587_100000211163 [0,0,1,0,0,0|2,0,0]=3 41 B11R0.157 C=CCNNC(=O)C(CC)OC 22a_100020588587_100000747056 [0,0,1,0,0,0|3,0,0]=4 42 B11R0.157 C=CCSCC(=O)C(CC)CC 1458a_100000230395_100000210505 [0,0,1,0,0,0|3,0,0]=4 43 B11R0.157 C=COCCC(=O)C(CC)CC 1458a_100000211163_100000039644 [0,0,1,0,0,0|2,0,0]=3 44 B11R0.157 C=COCCC(=O)C(CC)OC 1458a_100000747056_100000039644 [0,0,1,0,0,0|3,0,0]=4 45 B11R0.157 CC#CCNC(=O)C(CC)CC 11a_100000685387_100000211163 [0,0,1,0,0,0|1,0,2]=4 46 B11R0.157 CC#CCNC(=O)C(CC)CC 1626a_100000685387_100000211163 [0,0,1,0,0,0|1,0,2]=4 47 B11R0.157 CC#CCNC(=O)C(CC)CC 527a_100000685387_100000211163 [0,0,1,0,0,0|1,0,2]=4 48 B11R0.157 CCC(CC)C(=O)CCCC#N 1458a_100000075515_100000210505 [0,0,1,0,0,0|2,0,1]=4 49 B11R0.157 CCC(CC)C(=O)CCCC#N 1458a_100000211163_100000211468 [0,0,1,0,0,0|2,0,1]=4 50 B11R0.157 CCC(CC)C(=O)CCCCF 1458a_100000211163_100000729493 [0,0,1,0,0,0|2,0,1]=4 51 B11R0.157 CCC(CC)C(=O)CCCCO 1458a_100000211163_100000210776 [0,0,1,0,0,0|1,0,2]=4 52 B11R0.157 CCC(CC)C(=O)CCCCO 1458a_100000695505_100000210505 [0,0,1,0,0,0|1,0,2]=4 53 B11R0.157 CCC(CC)C(=O)CCCOC 1458a_100000211163_100000740836 [0,0,1,0,0,0|3,0,0]=4 54 B11R0.157 CCC(CC)C(=O)CCCOC 1458a_100000741012_100000210505 [0,0,1,0,0,0|3,0,0]=4 55 B11R0.157 CCC(CC)C(=O)CCCSC 1458a_100000173376_100000210505 [0,0,1,0,0,0|3,0,0]=4 56 B11R0.157 CCC(CC)C(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210505 [0,0,1,0,0,0|2,0,1]=4 57 B11R0.157 CCC(CC)C(=O)NCCC#N 11a_100000720768_100000211163 [0,0,1,0,0,0|1,0,1]=3 58 B11R0.157 CCC(CC)C(=O)NCCC#N 1626a_100000720768_100000211163 [0,0,1,0,0,0|1,0,1]=3 59 B11R0.157 CCC(CC)C(=O)NCCC#N 240690a_100000720768_100000211163 [0,0,1,0,0,0|1,0,1]=3 60 B11R0.157 CCC(CC)C(=O)NCCC#N 527a_100000720768_100000211163 [0,0,1,0,0,0|1,0,1]=3 61 B11R0.157 CCC(CC)C(=O)NCCCF 11a_100015189416_100000211163 [0,0,1,0,0,0|1,0,1]=3 62 B11R0.157 CCC(CC)C(=O)NCCCF 1626a_100015189416_100000211163 [0,0,1,0,0,0|1,0,1]=3 63 B11R0.157 CCC(CC)C(=O)NCCCF 240690a_100015189416_100000211163 [0,0,1,0,0,0|1,0,1]=3 64 B11R0.157 CCC(CC)C(=O)NCCCF 527a_100015189416_100000211163 [0,0,1,0,0,0|1,0,1]=3 65 B11R0.157 CCC(CC)C(=O)NCCCO 240690a_100000182051_100000211163 [0,0,1,0,0,0|0,0,2]=3 66 B11R0.157 CCC(CC)C(=O)NCCCO 527a_100000182051_100000211163 [0,0,1,0,0,0|0,0,2]=3 67 B11R0.157 CCC(CC)C(=O)NCCOC 1626a_100000209980_100000211163 [0,0,1,0,0,0|2,0,0]=3 68 B11R0.157 CCC(CC)C(=O)NCCOC 240690a_100000209980_100000211163 [0,0,1,0,0,0|2,0,0]=3 69 B11R0.157 CCC(CC)C(=O)NCCOC 527a_100000209980_100000211163 [0,0,1,0,0,0|2,0,0]=3 70 B11R0.157 CCC(CC)C(=O)NCCSC 11a_100020590264_100000211163 [0,0,1,0,0,0|2,0,0]=3 71 B11R0.157 CCC(CC)C(=O)NCCSC 1626a_100020590264_100000211163 [0,0,1,0,0,0|2,0,0]=3 72 B11R0.157 CCC(CC)C(=O)NCCSC 240690a_100020590264_100000211163 [0,0,1,0,0,0|2,0,0]=3 73 B11R0.157 CCC(CC)C(=O)NCCSC 527a_100020590264_100000211163 [0,0,1,0,0,0|2,0,0]=3 74 B11R0.157 CCC(CC)C(=O)NNCCO 22a_100000210001_100000211163 [0,0,1,0,0,0|1,0,2]=4 75 B11R0.157 CCC(CC)N(C)CCCC=O 2230a_100000737045_200011292268 [0,0,1,0,0,0|3,0,0]=4 76 B11R0.157 CCC(CC)N(C)CCCC=O 269982a_100000737045_200011292268 [0,0,1,0,0,0|3,0,0]=4 77 B11R0.157 CCC(NC)C(=O)NCCOC 2230a_106832991635_200011763345 [0,0,1,0,0,0|3,0,0]=4 78 B11R0.157 CCC(NC)C(=O)NCCOC 7a_106832991635_200011763345 [0,0,1,0,0,0|3,0,0]=4 79 B11R0.157 CCC(OC)C(=O)NCCC#N 11a_100000720768_100000747056 [0,0,1,0,0,0|2,0,1]=4 80 B11R0.157 CCC(OC)C(=O)NCCC#N 1626a_100000720768_100000747056 [0,0,1,0,0,0|2,0,1]=4 81 B11R0.157 CCC(OC)C(=O)NCCC#N 240690a_100000720768_100000747056 [0,0,1,0,0,0|2,0,1]=4 82 B11R0.157 CCC(OC)C(=O)NCCC#N 527a_100000720768_100000747056 [0,0,1,0,0,0|2,0,1]=4 83 B11R0.157 CCC(OC)C(=O)NCCCF 11a_100015189416_100000747056 [0,0,1,0,0,0|2,0,1]=4 84 B11R0.157 CCC(OC)C(=O)NCCCF 1626a_100015189416_100000747056 [0,0,1,0,0,0|2,0,1]=4 85 B11R0.157 CCC(OC)C(=O)NCCCF 240690a_100015189416_100000747056 [0,0,1,0,0,0|2,0,1]=4 86 B11R0.157 CCC(OC)C(=O)NCCCF 527a_100015189416_100000747056 [0,0,1,0,0,0|2,0,1]=4 87 B11R0.157 CCC(OC)C(=O)NCCCO 240690a_100000182051_100000747056 [0,0,1,0,0,0|1,0,2]=4 88 B11R0.157 CCC(OC)C(=O)NCCCO 527a_100000182051_100000747056 [0,0,1,0,0,0|1,0,2]=4 89 B11R0.157 CCC(OC)C(=O)NCCOC 1626a_100000209980_100000747056 [0,0,1,0,0,0|3,0,0]=4 90 B11R0.157 CCC(OC)C(=O)NCCOC 240690a_100000209980_100000747056 [0,0,1,0,0,0|3,0,0]=4 91 B11R0.157 CCC(OC)C(=O)NCCOC 527a_100000209980_100000747056 [0,0,1,0,0,0|3,0,0]=4 92 B11R0.157 CCC(OC)C(=O)NCCSC 11a_100020590264_100000747056 [0,0,1,0,0,0|3,0,0]=4 93 B11R0.157 CCC(OC)C(=O)NCCSC 1626a_100020590264_100000747056 [0,0,1,0,0,0|3,0,0]=4 94 B11R0.157 CCC(OC)C(=O)NCCSC 240690a_100020590264_100000747056 [0,0,1,0,0,0|3,0,0]=4 95 B11R0.157 CCC(OC)C(=O)NCCSC 527a_100020590264_100000747056 [0,0,1,0,0,0|3,0,0]=4 96 B11R0.157 CCC(SC)C(=O)NCCOC 62a_200000210301_200011763345 [0,0,1,0,0,0|3,0,0]=4 97 B11R0.157 CCC(SC)C(=O)NCCOC 62a_200011763345_200000210301 [0,0,1,0,0,0|3,0,0]=4 98 B11R0.157 CCC(S[13CH3])C(=O)NCCOC 62a_200011763345_200025704644 [0,0,1,0,0,0|3,0,0]=4 99 B11R0.157 CCC(S[13CH3])C(=O)NCCOC 62a_200025704644_200011763345 [0,0,1,0,0,0|3,0,0]=4 100 B11R0.157 CCCCCC(=O)C(CC)CC 1458a_100000211163_100000210326 [0,0,1,0,0,0|2,0,1]=4 101 B11R0.157 CCCCCC(=O)C(CC)CC 1458a_100000212188_100000210505 [0,0,1,0,0,0|2,0,1]=4 102 B11R0.157 CCCCNC(=O)C(CC)CC 11a_100000102301_100000211163 [0,0,1,0,0,0|1,0,1]=3 103 B11R0.157 CCCCNC(=O)C(CC)CC 1626a_100000102301_100000211163 [0,0,1,0,0,0|1,0,1]=3 104 B11R0.157 CCCCNC(=O)C(CC)CC 240690a_100000102301_100000211163 [0,0,1,0,0,0|1,0,1]=3 105 B11R0.157 CCCCNC(=O)C(CC)CC 527a_100000102301_100000211163 [0,0,1,0,0,0|1,0,1]=3 106 B11R0.157 CCCCNC(=O)C(CC)NC 2230a_106832991635_200011763471 [0,0,1,0,0,0|2,0,1]=4 107 B11R0.157 CCCCNC(=O)C(CC)NC 7a_106832991635_200011763471 [0,0,1,0,0,0|2,0,1]=4 108 B11R0.157 CCCCNC(=O)C(CC)OC 11a_100000102301_100000747056 [0,0,1,0,0,0|2,0,1]=4 109 B11R0.157 CCCCNC(=O)C(CC)OC 1626a_100000102301_100000747056 [0,0,1,0,0,0|2,0,1]=4 110 B11R0.157 CCCCNC(=O)C(CC)OC 240690a_100000102301_100000747056 [0,0,1,0,0,0|2,0,1]=4 111 B11R0.157 CCCCNC(=O)C(CC)OC 527a_100000102301_100000747056 [0,0,1,0,0,0|2,0,1]=4 112 B11R0.157 CCCCNC(=O)C(CC)SC 62a_200000210301_200011763471 [0,0,1,0,0,0|2,0,1]=4 113 B11R0.157 CCCCNC(=O)C(CC)SC 62a_200011763471_200000210301 [0,0,1,0,0,0|2,0,1]=4 114 B11R0.157 CCCCNC(=O)C(CC)S[13CH3] 62a_200011763471_200025704644 [0,0,1,0,0,0|2,0,1]=4 115 B11R0.157 CCCCNC(=O)C(CC)S[13CH3] 62a_200025704644_200011763471 [0,0,1,0,0,0|2,0,1]=4 116 B11R0.157 CCCCNC(=O)N(CC)CC 2708a_100000102301_100000724800 [0,0,1,0,0,0|2,0,1]=4 117 B11R0.157 CCCCNC(=O)N(CC)CC 273464a_100000102301_100000724800 [0,0,1,0,0,0|2,0,1]=4 118 B11R0.157 CCCNNC(=O)C(CC)CC 22a_100000740057_100000211163 [0,0,1,0,0,0|2,0,1]=4 119 B11R0.157 CCN(CC)C(=O)CNCC=O 2230a_100000174916_200015260668 [0,0,1,0,0,0|3,0,0]=4 120 B11R0.157 CCN(CC)C(=O)COCC=O 7a_200000238847_200015260668 [0,0,1,0,0,0|3,0,0]=4 121 B11R0.157 CCN(CC)C(=O)CSCC=O 62a_100000211521_200015260668 [0,0,1,0,0,0|3,0,0]=4 122 B11R0.157 CCN(CC)C(=O)CSCC=O 62a_200015260668_100000211521 [0,0,1,0,0,0|3,0,0]=4 123 B11R0.157 CCN(CC)C(=O)NCCC#N 2708a_100000720768_100000724800 [0,0,1,0,0,0|2,0,1]=4 124 B11R0.157 CCN(CC)C(=O)NCCC#N 273464a_100000720768_100000724800 [0,0,1,0,0,0|2,0,1]=4 125 B11R0.157 CCN(CC)C(=O)NCCCF 2708a_100015189416_100000724800 [0,0,1,0,0,0|2,0,1]=4 126 B11R0.157 CCN(CC)C(=O)NCCCF 273464a_100015189416_100000724800 [0,0,1,0,0,0|2,0,1]=4 127 B11R0.157 CCN(CC)C(=O)NCCCO 273464a_100000182051_100000724800 [0,0,1,0,0,0|1,0,2]=4 128 B11R0.157 CCN(CC)C(=O)NCCOC 273464a_100000209980_100000724800 [0,0,1,0,0,0|3,0,0]=4 129 B11R0.157 CCN(CC)C(=O)NCCSC 2708a_100020590264_100000724800 [0,0,1,0,0,0|3,0,0]=4 130 B11R0.157 CCN(CC)C(=O)NCCSC 273464a_100020590264_100000724800 [0,0,1,0,0,0|3,0,0]=4 131 B11R0.157 CCNCCC(=O)N(CC)CC 2230a_100015525214_100011194432 [0,0,1,0,0,0|2,0,1]=4 132 B11R0.157 CCNCOC(=O)C(CC)CC 2230a_100015525214_100000140015 [0,0,1,0,0,0|2,0,1]=4 133 B11R0.157 CCOCCC(=O)C(CC)CC 1458a_100000211163_100011215890 [0,0,1,0,0,0|2,0,1]=4 134 B11R0.157 CCOCCC(=O)C(CC)CC 1458a_100000749530_100000210505 [0,0,1,0,0,0|2,0,1]=4 135 B11R0.157 CCSCCC(=O)C(CC)CC 1458a_100000211163_100000757381 [0,0,1,0,0,0|2,0,1]=4 136 B11R0.157 CCSCCC(=O)C(CC)CC 1458a_100000230768_100000210505 [0,0,1,0,0,0|2,0,1]=4 137 B11R0.252 CCC(C#N)(CC)C(=O)CCF 1458a_100011499467_100011217306 [0,0,1,0,0,0|2,0,1]=4 138 B11R0.252 CCC(C#N)(CC)C(=O)CCO 1458a_100011499467_100000211926 [0,0,1,0,0,0|2,0,1]=4 139 B11R0.252 CCC(C#N)(CC)C(=O)NNC 22a_100016993582_100011499467 [0,0,1,0,0,0|2,0,1]=4 140 B11R0.252 CCC(CC)(CC)C(=O)CCO 1458a_100011216618_200010884430 [0,0,1,0,0,0|2,0,1]=4 141 B11R0.252 CCCC(=O)C(C#N)(CC)CC 1458a_100011499467_100000210303 [0,0,1,0,0,0|2,0,1]=4 142 B11R0.252 CCCC(=O)C(CC)(CC)CC 1458a_100000211992_200010884430 [0,0,1,0,0,0|2,0,1]=4 143 B11R0.252 CCNC(=O)C(C#N)(CC)CC 11a_100015525214_100011499467 [0,0,1,0,0,0|1,0,1]=3 144 B11R0.252 CCNC(=O)C(C#N)(CC)CC 240690a_100015525214_100011499467 [0,0,1,0,0,0|1,0,1]=3 145 B11R0.252 CCNC(=O)C(C#N)(CC)CC 527a_100015525214_100011499467 [0,0,1,0,0,0|1,0,1]=3 146 B11R0.252 CCNC(=O)C(CC)(CO)CO 240690a_100015525214_100000039496 [0,0,1,0,0,0|1,0,2]=4 147 B11R0.252 CCOC(=O)C(CC)(CC)NC 2230a_106832991635_200009990444 [0,0,1,0,0,0|3,0,0]=4 148 B11R0.252 CCOC(=O)C(CC)(CC)NC 34a_100102657272_200009990444 [0,0,1,0,0,0|3,0,0]=4 149 B11R0.252 CCOC(=O)C(CC)(CC)NC 7a_106832991635_200009990444 [0,0,1,0,0,0|3,0,0]=4 150 B11R0.252 CCOC(=O)C(CC)(CC)OC 34a_100138415774_200009990444 [0,0,1,0,0,0|3,0,0]=4 151 B11R0.252 CCOC(=O)C(CC)(CC)SC 62a_200000210301_200009990444 [0,0,1,0,0,0|3,0,0]=4 152 B11R0.252 CCOC(=O)C(CC)(CC)SC 62a_200009990444_200000210301 [0,0,1,0,0,0|3,0,0]=4 153 B11R0.252 CCOC(=O)C(CC)(CC)S[13CH3] 62a_200009990444_200025704644 [0,0,1,0,0,0|3,0,0]=4 154 B11R0.252 CCOC(=O)C(CC)(CC)S[13CH3] 62a_200025704644_200009990444 [0,0,1,0,0,0|3,0,0]=4 155 B10R0.21 C#CCCC(=O)C(CC)CC 1458a_100000211163_100000753159 [1,0,1,0,0,0|1,0,1]=4 156 B10R0.21 C#CCCC(=O)C(CC)CC 1458a_100000692101_100000210505 [1,0,1,0,0,0|1,0,1]=4 157 B10R0.21 C#CCNC(=O)C(CC)CC 11a_100000212058_100000211163 [1,0,1,0,0,0|0,0,2]=4 158 B10R0.21 C#CCNC(=O)C(CC)CC 1626a_100000212058_100000211163 [1,0,1,0,0,0|0,0,2]=4 159 B10R0.21 C#CCNC(=O)C(CC)CC 240690a_100000212058_100000211163 [1,0,1,0,0,0|0,0,2]=4 160 B10R0.21 C#CCNC(=O)C(CC)CC 527a_100000212058_100000211163 [1,0,1,0,0,0|0,0,2]=4 161 B10R0.21 C/C=C/CC(=O)C(CC)CC 1458a_100000211163_100102629194 [1,0,1,0,0,0|1,0,1]=4 162 B10R0.21 C=CCCC(=O)C(CC)CC 1458a_100000211163_100000754431 [1,0,1,0,0,0|1,0,0]=3 163 B10R0.21 C=CCCC(=O)C(CC)CC 1458a_100000749702_100000210505 [1,0,1,0,0,0|1,0,0]=3 164 B10R0.21 C=CCCC(=O)C(CC)OC 1458a_100000747056_100000754431 [1,0,1,0,0,0|2,0,0]=4 165 B10R0.21 C=CCCC(=O)N(CC)CC 11a_100000724800_100000749702 [1,0,1,0,0,0|2,0,0]=4 166 B10R0.21 C=CCCC(=O)N(CC)CC 1626a_100000724800_100000749702 [1,0,1,0,0,0|2,0,0]=4 167 B10R0.21 C=CCCC(=O)N(CC)CC 240690a_100000724800_100000749702 [1,0,1,0,0,0|2,0,0]=4 168 B10R0.21 C=CCCC(=O)N(CC)CC 527a_100000724800_100000749702 [1,0,1,0,0,0|2,0,0]=4 169 B10R0.21 C=CCNC(=O)C(CC)CC 1626a_100020586998_100000211163 [1,0,1,0,0,0|0,0,1]=3 170 B10R0.21 C=CCNC(=O)C(CC)CC 240690a_100020586998_100000211163 [1,0,1,0,0,0|0,0,1]=3 171 B10R0.21 C=CCNC(=O)C(CC)CC 527a_100020586998_100000211163 [1,0,1,0,0,0|0,0,1]=3 172 B10R0.21 C=CCNC(=O)C(CC)OC 1626a_100020586998_100000747056 [1,0,1,0,0,0|1,0,1]=4 173 B10R0.21 C=CCNC(=O)C(CC)OC 240690a_100020586998_100000747056 [1,0,1,0,0,0|1,0,1]=4 174 B10R0.21 C=CCNC(=O)C(CC)OC 527a_100020586998_100000747056 [1,0,1,0,0,0|1,0,1]=4 175 B10R0.21 C=CCNC(=O)N(CC)CC 273464a_100020586998_100000724800 [1,0,1,0,0,0|1,0,1]=4 176 B10R0.21 CC=CCC(=O)C(CC)CC 1458a_100000211163_100000070051 [1,0,1,0,0,0|1,0,1]=4 177 B10R0.21 CC=CCC(=O)C(CC)CC 1458a_100121576822_100000210505 [1,0,1,0,0,0|1,0,1]=4 178 B10R0.21 CC=NNC(=O)C(CC)CC 4a_100000189835_200000210099 [1,0,1,0,0,0|2,0,0]=4 179 B10R0.21 CCC(CC)C(=O)CCC#N 1458a_100000211163_100011215226 [1,0,1,0,0,0|1,0,1]=4 180 B10R0.21 CCC(CC)C(=O)CCC#N 1458a_100011934036_100000210505 [1,0,1,0,0,0|1,0,1]=4 181 B10R0.21 CCC(CC)C(=O)CCCF 1458a_100000211163_100011934791 [1,0,1,0,0,0|1,0,1]=4 182 B10R0.21 CCC(CC)C(=O)CCCO 1458a_100000211163_100011215043 [1,0,1,0,0,0|0,0,2]=4 183 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000211163_100000233755 [1,0,1,0,0,0|1,0,1]=4 184 B10R0.21 CCC(CC)C(=O)CCOC 1458a_100000749529_100000210505 [1,0,1,0,0,0|1,0,1]=4 185 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000174002_100000210505 [1,0,1,0,0,0|1,0,1]=4 186 B10R0.21 CCC(CC)C(=O)CCSC 1458a_100000211163_100000751147 [1,0,1,0,0,0|1,0,1]=4 187 B10R0.21 CCC(CC)C(=O)NCC#N 1626a_100000734998_100000211163 [1,0,1,0,0,0|1,0,1]=4 188 B10R0.21 CCC(CC)C(=O)NCC#N 527a_100000734998_100000211163 [1,0,1,0,0,0|1,0,1]=4 189 B10R0.21 CCC(CC)C(=O)NCCF 11a_100000724931_100000211163 [1,0,1,0,0,0|1,0,0]=3 190 B10R0.21 CCC(CC)C(=O)NCCF 1626a_100000724931_100000211163 [1,0,1,0,0,0|1,0,0]=3 191 B10R0.21 CCC(CC)C(=O)NCCF 240690a_100000724931_100000211163 [1,0,1,0,0,0|1,0,0]=3 192 B10R0.21 CCC(CC)C(=O)NCCF 527a_100000724931_100000211163 [1,0,1,0,0,0|1,0,0]=3 193 B10R0.21 CCC(CC)C(=O)NCCO 240690a_100000210304_100000211163 [1,0,1,0,0,0|0,0,1]=3 194 B10R0.21 CCC(CC)C(=O)NCCO 527a_100000210304_100000211163 [1,0,1,0,0,0|0,0,1]=3 195 B10R0.21 CCC(CC)C(=O)OCNC 2230a_106832991635_100000140015 [1,0,1,0,0,0|1,0,1]=4 196 B10R0.21 CCC(CC)C(=O)OCNC 34a_100102657272_100000140015 [1,0,1,0,0,0|1,0,1]=4 197 B10R0.21 CCC(CC)C(=O)OCNC 7a_106832991635_100000140015 [1,0,1,0,0,0|1,0,1]=4 198 B10R0.21 CCC(OC)C(=O)NCCF 11a_100000724931_100000747056 [1,0,1,0,0,0|2,0,0]=4 199 B10R0.21 CCC(OC)C(=O)NCCF 1626a_100000724931_100000747056 [1,0,1,0,0,0|2,0,0]=4 200 B10R0.21 CCC(OC)C(=O)NCCF 240690a_100000724931_100000747056 [1,0,1,0,0,0|2,0,0]=4 201 B10R0.21 CCC(OC)C(=O)NCCF 527a_100000724931_100000747056 [1,0,1,0,0,0|2,0,0]=4 202 B10R0.21 CCC(OC)C(=O)NCCO 240690a_100000210304_100000747056 [1,0,1,0,0,0|1,0,1]=4 203 B10R0.21 CCC(OC)C(=O)NCCO 527a_100000210304_100000747056 [1,0,1,0,0,0|1,0,1]=4 204 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000210183_100000210505 [1,0,1,0,0,0|1,0,1]=4 205 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000211163_100000210211 [1,0,1,0,0,0|1,0,1]=4 206 B10R0.21 CCCNC(=O)C(CC)CC 11a_100020643023_100000211163 [1,0,1,0,0,0|0,0,1]=3 207 B10R0.21 CCCNC(=O)C(CC)CC 1626a_100020643023_100000211163 [1,0,1,0,0,0|0,0,1]=3 208 B10R0.21 CCCNC(=O)C(CC)CC 240690a_100020643023_100000211163 [1,0,1,0,0,0|0,0,1]=3 209 B10R0.21 CCCNC(=O)C(CC)CC 527a_100020643023_100000211163 [1,0,1,0,0,0|0,0,1]=3 210 B10R0.21 CCCNC(=O)C(CC)NC 2230a_106832991635_200011763335 [1,0,1,0,0,0|1,0,1]=4 211 B10R0.21 CCCNC(=O)C(CC)NC 7a_106832991635_200011763335 [1,0,1,0,0,0|1,0,1]=4 212 B10R0.21 CCCNC(=O)C(CC)OC 11a_100020643023_100000747056 [1,0,1,0,0,0|1,0,1]=4 213 B10R0.21 CCCNC(=O)C(CC)OC 1626a_100020643023_100000747056 [1,0,1,0,0,0|1,0,1]=4 214 B10R0.21 CCCNC(=O)C(CC)OC 240690a_100020643023_100000747056 [1,0,1,0,0,0|1,0,1]=4 215 B10R0.21 CCCNC(=O)C(CC)OC 527a_100020643023_100000747056 [1,0,1,0,0,0|1,0,1]=4 216 B10R0.21 CCCNC(=O)C(CC)SC 62a_200000210301_200011763335 [1,0,1,0,0,0|1,0,1]=4 217 B10R0.21 CCCNC(=O)C(CC)SC 62a_200011763335_200000210301 [1,0,1,0,0,0|1,0,1]=4 218 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200011763335_200025704644 [1,0,1,0,0,0|1,0,1]=4 219 B10R0.21 CCCNC(=O)C(CC)S[13CH3] 62a_200025704644_200011763335 [1,0,1,0,0,0|1,0,1]=4 220 B10R0.21 CCCNC(=O)N(CC)CC 2708a_100020643023_100000724800 [1,0,1,0,0,0|1,0,1]=4 221 B10R0.21 CCCNC(=O)N(CC)CC 273464a_100020643023_100000724800 [1,0,1,0,0,0|1,0,1]=4 222 B10R0.21 CCN(CC)C(=O)CCNC 2230a_106832991635_100011194432 [1,0,1,0,0,0|1,0,1]=4 223 B10R0.21 CCN(CC)C(=O)CCNC 7a_106832991635_100011194432 [1,0,1,0,0,0|1,0,1]=4 224 B10R0.21 CCN(CC)C(=O)NCCF 273464a_100000724931_100000724800 [1,0,1,0,0,0|2,0,0]=4 225 B10R0.21 CCN(CC)C(=O)NCCO 273464a_100000210304_100000724800 [1,0,1,0,0,0|1,0,1]=4 226 B10R0.21 CCNNC(=O)C(CC)CC 22a_100000756455_100000211163 [1,0,1,0,0,0|1,0,1]=4 227 B10R0.41 C=CCCNCC(CC)CC 2230a_100015191253_100011215472 [1,0,1,0,0,0|1,0,1]=4 228 B10R0.41 C=CCCNCC(CC)CC 2230a_100102946423_100000754431 [1,0,1,0,0,0|1,0,1]=4 229 B10R0.41 C=CCCNCC(CC)CC 269862a_100015191253_100000211137 [1,0,1,0,0,0|1,0,1]=4 230 B10R0.41 C=CCCNCC(CC)CC 270004a_100015191253_100000211137 [1,0,1,0,0,0|1,0,1]=4 231 B10R0.41 CCC(CC)NCCCC=O 2230a_100000199018_200011292268 [1,0,1,0,0,0|2,0,0]=4 232 B10R0.41 CCC(CC)OCCCC=O 7a_100000688536_200011292268 [1,0,1,0,0,0|2,0,0]=4 233 B10R0.41 CCC(CC)SCCCC=O 62a_100000210505_200011292268 [1,0,1,0,0,0|2,0,0]=4 234 B10R0.41 CCC(CC)SCCCC=O 62a_200011292268_100000210505 [1,0,1,0,0,0|2,0,0]=4 235 B10R0.83 C#CCCNC(=O)C(C)CC 11a_100000755551_100011192722 [1,0,1,0,0,0|1,0,1]=4 236 B10R0.83 C#CCCNC(=O)C(C)CC 1626a_100000755551_100011192722 [1,0,1,0,0,0|1,0,1]=4 237 B10R0.83 C#CCCNC(=O)C(C)CC 240690a_100000755551_100011192722 [1,0,1,0,0,0|1,0,1]=4 238 B10R0.83 C#CCCNC(=O)C(C)CC 527a_100000755551_100011192722 [1,0,1,0,0,0|1,0,1]=4 239 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [1,0,1,0,0,0|2,0,0]=4 240 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [1,0,1,0,0,0|2,0,0]=4 241 B10R0.83 C=CCCNC(=O)C(C)CC 11a_100015191253_100011192722 [1,0,1,0,0,0|1,0,0]=3 242 B10R0.83 C=CCCNC(=O)C(C)CC 1626a_100015191253_100011192722 [1,0,1,0,0,0|1,0,0]=3 243 B10R0.83 C=CCCNC(=O)C(C)CC 240690a_100015191253_100011192722 [1,0,1,0,0,0|1,0,0]=3 244 B10R0.83 C=CCCNC(=O)C(C)CC 527a_100015191253_100011192722 [1,0,1,0,0,0|1,0,0]=3 245 B10R0.83 C=CCCNC(=O)C(C)OC 11a_100015191253_100000743197 [1,0,1,0,0,0|2,0,0]=4 246 B10R0.83 C=CCCNC(=O)C(C)OC 1626a_100015191253_100000743197 [1,0,1,0,0,0|2,0,0]=4 247 B10R0.83 C=CCCNC(=O)C(C)OC 240690a_100015191253_100000743197 [1,0,1,0,0,0|2,0,0]=4 248 B10R0.83 C=CCCNC(=O)C(C)OC 527a_100015191253_100000743197 [1,0,1,0,0,0|2,0,0]=4 249 B10R0.83 C=CCCNC(=O)C(C)SC 11a_100015191253_100000149566 [1,0,1,0,0,0|2,0,0]=4 250 B10R0.83 C=CCCNC(=O)C(C)SC 1626a_100015191253_100000149566 [1,0,1,0,0,0|2,0,0]=4 251 B10R0.83 C=CCCNC(=O)C(C)SC 240690a_100015191253_100000149566 [1,0,1,0,0,0|2,0,0]=4 252 B10R0.83 C=CCCNC(=O)C(C)SC 527a_100015191253_100000149566 [1,0,1,0,0,0|2,0,0]=4 253 B10R0.83 C=CCCNC(=O)C(O)CC 240690a_100015191253_100011196387 [1,0,1,0,0,0|2,0,0]=4 254 B10R0.83 C=CCCNC(=O)N(C)CC 2708a_100015191253_100000225621 [1,0,1,0,0,0|2,0,0]=4 255 B10R0.83 C=CCCNC(=O)N(C)CC 273464a_100015191253_100000225621 [1,0,1,0,0,0|2,0,0]=4 256 B10R0.83 C=CCNNC(=O)C(C)CC 22a_100020588587_100011192722 [1,0,1,0,0,0|2,0,0]=4 257 B10R0.83 C=COCCC(=O)C(C)CC 1458a_100011192722_100000039644 [1,0,1,0,0,0|2,0,0]=4 258 B10R0.83 CCC(C)C(=O)NCCC#N 11a_100000720768_100011192722 [1,0,1,0,0,0|1,0,1]=4 259 B10R0.83 CCC(C)C(=O)NCCC#N 1626a_100000720768_100011192722 [1,0,1,0,0,0|1,0,1]=4 260 B10R0.83 CCC(C)C(=O)NCCC#N 240690a_100000720768_100011192722 [1,0,1,0,0,0|1,0,1]=4 261 B10R0.83 CCC(C)C(=O)NCCC#N 527a_100000720768_100011192722 [1,0,1,0,0,0|1,0,1]=4 262 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [1,0,1,0,0,0|1,0,1]=4 263 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [1,0,1,0,0,0|1,0,1]=4 264 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [1,0,1,0,0,0|1,0,1]=4 265 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [1,0,1,0,0,0|1,0,1]=4 266 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [1,0,1,0,0,0|0,0,2]=4 267 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [1,0,1,0,0,0|0,0,2]=4 268 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [1,0,1,0,0,0|2,0,0]=4 269 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [1,0,1,0,0,0|2,0,0]=4 270 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [1,0,1,0,0,0|2,0,0]=4 271 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [1,0,1,0,0,0|2,0,0]=4 272 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [1,0,1,0,0,0|2,0,0]=4 273 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [1,0,1,0,0,0|2,0,0]=4 274 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [1,0,1,0,0,0|2,0,0]=4 275 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [1,0,1,0,0,0|1,0,1]=4 276 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [1,0,1,0,0,0|1,0,1]=4 277 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [1,0,1,0,0,0|1,0,1]=4 278 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [1,0,1,0,0,0|1,0,1]=4 279 B10R0.130 CCC(C)(CC)C(=O)CCF 1458a_100000760562_100011217306 [1,0,1,0,0,0|1,0,1]=4 280 B10R0.130 CCC(C)(CC)C(=O)CCO 1458a_100000760562_100000211926 [1,0,1,0,0,0|1,0,1]=4 281 B10R0.130 CCC(C)(CC)C(=O)CCO 1458a_100011216618_100009817345 [1,0,1,0,0,0|1,0,1]=4 282 B10R0.130 CCC(C)(CC)C(=O)NNC 22a_100016993582_100000760562 [1,0,1,0,0,0|1,0,1]=4 283 B10R0.130 CCCC(=O)C(C)(CC)CC 1458a_100000211992_100009817345 [1,0,1,0,0,0|1,0,1]=4 284 B10R0.130 CCCC(=O)C(C)(CC)CC 1458a_100000760562_100000210303 [1,0,1,0,0,0|1,0,1]=4 285 B10R0.130 CCNC(=O)C(C)(CC)CC 11a_100015525214_100000760562 [1,0,1,0,0,0|0,0,1]=3 286 B10R0.130 CCNC(=O)C(C)(CC)CC 240690a_100015525214_100000760562 [1,0,1,0,0,0|0,0,1]=3 287 B10R0.130 CCNC(=O)C(C)(CC)CC 527a_100015525214_100000760562 [1,0,1,0,0,0|0,0,1]=3 288 B10R0.136 CCC(=O)C(C#N)(CC)CC 1458a_100011499467_100000210202 [1,0,1,0,0,0|0,0,2]=4 289 B10R0.136 CCC(=O)C(CC)(CC)CC 1458a_100000210414_200010884430 [1,0,1,0,0,0|1,0,1]=4 290 B10R0.136 CCC(C#N)(CC)C(=O)NC 11a_106832991635_100011499467 [1,0,1,0,0,0|1,0,1]=4 291 B10R0.136 CCC(C#N)(CC)C(=O)NC 240690a_100102657272_100011499467 [1,0,1,0,0,0|1,0,1]=4 292 B10R0.136 CCC(C#N)(CC)C(=O)NC 527a_100102657272_100011499467 [1,0,1,0,0,0|1,0,1]=4 293 B10R0.126 CCNC(CC)(CC)C(=O)O 269956a_100000727939_100000210202 [1,0,1,0,0,0|2,0,0]=4 294 B10R0.137 COC(=O)C(C)(OC)C(=O)C 34a_100000042598_200000210301 [1,0,1,0,0,0|2,0,0]=4 295 B10R0.137 COC(=O)C(C)(O[13CH3])C(=O)C 34a_100000042598_200025704644 [1,0,1,0,0,0|2,0,0]=4 296 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 2230a_100000751695_200025704644 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 269982a_100000751695_200025704644 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 34a_100000751695_200025704644 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.114 CN1CCNC(=O)C1(C)C 2230a_100000751695_200000210301 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.114 CN1CCNC(=O)C1(C)C 269982a_100000751695_200000210301 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.114 CN1CCNC(=O)C1(C)C 34a_100000751695_200000210301 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [2,0,0,0,0,0|2,0,0]=4 305 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [2,0,0,0,0,0|2,0,0]=4 306 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [2,0,0,0,0,0|2,0,0]=4 307 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [2,0,0,0,0,0|2,0,0]=4 308 B10R1.245 CNC1C(=O)CCCC1=O 2230a_106832991635_100009814513 [2,0,0,0,0,0|2,0,0]=4 309 B10R1.245 CNC1C(=O)CCCC1=O 7a_106832991635_100009814513 [2,0,0,0,0,0|2,0,0]=4 310 B10R1.245 CSC1C(=O)CCCC1=O 62a_100009814513_200000210301 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.245 CSC1C(=O)CCCC1=O 62a_200000210301_100009814513 [2,0,0,0,0,0|2,0,0]=4 312 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_100009814513_200025704644 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_200025704644_100009814513 [2,0,0,0,0,0|2,0,0]=4 314 B12R0.25 C=CCCN(C)C(=O)C(CC)CC 11a_100020639649_100000211163 [0,1,1,0,0,0|1,0,0]=3 315 B12R0.25 C=CCCN(C)C(=O)C(CC)CC 1626a_100020639649_100000211163 [0,1,1,0,0,0|1,0,0]=3 316 B12R0.25 C=CCCN(C)C(=O)C(CC)CC 240690a_100020639649_100000211163 [0,1,1,0,0,0|1,0,0]=3 317 B12R0.25 C=CCCN(C)C(=O)C(CC)CC 527a_100020639649_100000211163 [0,1,1,0,0,0|1,0,0]=3 318 B12R0.25 C=CCCN(C)C(=O)C(CC)OC 11a_100020639649_100000747056 [0,1,1,0,0,0|2,0,0]=4 319 B12R0.25 C=CCCN(C)C(=O)C(CC)OC 1626a_100020639649_100000747056 [0,1,1,0,0,0|2,0,0]=4 320 B12R0.25 C=CCCN(C)C(=O)C(CC)OC 240690a_100020639649_100000747056 [0,1,1,0,0,0|2,0,0]=4 321 B12R0.25 C=CCCN(C)C(=O)C(CC)OC 527a_100020639649_100000747056 [0,1,1,0,0,0|2,0,0]=4 322 B12R0.25 CCC(CC)C(=O)N(C)CCC#N 11a_100000184479_100000211163 [0,1,1,0,0,0|1,0,1]=4 323 B12R0.25 CCC(CC)C(=O)N(C)CCC#N 1626a_100000184479_100000211163 [0,1,1,0,0,0|1,0,1]=4 324 B12R0.25 CCC(CC)C(=O)N(C)CCC#N 240690a_100000184479_100000211163 [0,1,1,0,0,0|1,0,1]=4 325 B12R0.25 CCC(CC)C(=O)N(C)CCC#N 527a_100000184479_100000211163 [0,1,1,0,0,0|1,0,1]=4 326 B12R0.25 CCC(CC)C(=O)N(C)CCCO 240690a_100000213112_100000211163 [0,1,1,0,0,0|0,0,2]=4 327 B12R0.25 CCC(CC)C(=O)N(C)CCCO 527a_100000213112_100000211163 [0,1,1,0,0,0|0,0,2]=4 328 B12R0.25 CCC(CC)C(=O)N(C)CCOC 11a_100000743101_100000211163 [0,1,1,0,0,0|2,0,0]=4 329 B12R0.25 CCC(CC)C(=O)N(C)CCOC 1626a_100000743101_100000211163 [0,1,1,0,0,0|2,0,0]=4 330 B12R0.25 CCC(CC)C(=O)N(C)CCOC 240690a_100000743101_100000211163 [0,1,1,0,0,0|2,0,0]=4 331 B12R0.25 CCC(CC)C(=O)N(C)CCOC 527a_100000743101_100000211163 [0,1,1,0,0,0|2,0,0]=4 332 B12R0.25 CCC(CC)C(=O)N(C)CCSC 11a_100000686725_100000211163 [0,1,1,0,0,0|2,0,0]=4 333 B12R0.25 CCC(CC)C(=O)N(C)CCSC 1626a_100000686725_100000211163 [0,1,1,0,0,0|2,0,0]=4 334 B12R0.25 CCC(CC)C(=O)N(C)CCSC 240690a_100000686725_100000211163 [0,1,1,0,0,0|2,0,0]=4 335 B12R0.25 CCC(CC)C(=O)N(C)CCSC 527a_100000686725_100000211163 [0,1,1,0,0,0|2,0,0]=4 336 B12R0.25 CCCCN(C)C(=O)C(CC)CC 11a_100000207549_100000211163 [0,1,1,0,0,0|1,0,1]=4 337 B12R0.25 CCCCN(C)C(=O)C(CC)CC 1626a_100000207549_100000211163 [0,1,1,0,0,0|1,0,1]=4 338 B12R0.25 CCCCN(C)C(=O)C(CC)CC 240690a_100000207549_100000211163 [0,1,1,0,0,0|1,0,1]=4 339 B12R0.25 CCCCN(C)C(=O)C(CC)CC 527a_100000207549_100000211163 [0,1,1,0,0,0|1,0,1]=4 340 B12R0.71 CCC(CC)C(=O)N[C@@H](C)CC#N 11a_100016994482_100000211163 [0,1,1,0,0,0|1,0,1]=4 341 B12R0.71 CCC(CC)C(=O)N[C@@H](C)CC#N 1626a_100016994482_100000211163 [0,1,1,0,0,0|1,0,1]=4 342 B12R0.71 CCC(CC)C(=O)N[C@@H](C)CC#N 240690a_100016994482_100000211163 [0,1,1,0,0,0|1,0,1]=4 343 B12R0.71 CCC(CC)C(=O)N[C@@H](C)CC#N 527a_100016994482_100000211163 [0,1,1,0,0,0|1,0,1]=4 344 B12R0.71 CCC(CC)C(=O)N[C@H](C)CCO 240690a_100000706166_100000211163 [0,1,1,0,0,0|0,0,2]=4 345 B12R0.71 CCC(CC)C(=O)N[C@H](C)CCO 527a_100000706166_100000211163 [0,1,1,0,0,0|0,0,2]=4 346 B12R0.71 CCC(CC)C(=O)N[C@H](C)COC 11a_100000764878_100000211163 [0,1,1,0,0,0|2,0,0]=4 347 B12R0.71 CCC(CC)C(=O)N[C@H](C)COC 1626a_100000764878_100000211163 [0,1,1,0,0,0|2,0,0]=4 348 B12R0.71 CCC(CC)C(=O)N[C@H](C)COC 240690a_100000764878_100000211163 [0,1,1,0,0,0|2,0,0]=4 349 B12R0.71 CCC(CC)C(=O)N[C@H](C)COC 527a_100000764878_100000211163 [0,1,1,0,0,0|2,0,0]=4 350 B12R0.71 CCCC(C)NC(=O)C(CC)CC 11a_100000741246_100000211163 [0,1,1,0,0,0|1,0,1]=4 351 B12R0.71 CCCC(C)NC(=O)C(CC)CC 1626a_100000741246_100000211163 [0,1,1,0,0,0|1,0,1]=4 352 B12R0.71 CCCC(C)NC(=O)C(CC)CC 240690a_100000741246_100000211163 [0,1,1,0,0,0|1,0,1]=4 353 B12R0.71 CCCC(C)NC(=O)C(CC)CC 527a_100000741246_100000211163 [0,1,1,0,0,0|1,0,1]=4 354 B12R0.108 C=CCCNC(=O)C(CC)N(C)C 240690a_100015191253_100000689100 [0,1,1,0,0,0|2,0,0]=4 355 B12R0.108 C=CCCNC(=O)C(CC)N(C)C 527a_100015191253_100000689100 [0,1,1,0,0,0|2,0,0]=4 356 B12R0.108 C=CCCNC(=O)N(CC)C(C)C 2708a_100015191253_100000223864 [0,1,1,0,0,0|2,0,0]=4 357 B12R0.108 C=CCCNC(=O)N(CC)C(C)C 273464a_100015191253_100000223864 [0,1,1,0,0,0|2,0,0]=4 358 B12R0.109 C#CCCNC(=O)C(CC)CCC 11a_100000755551_100011416436 [0,1,1,0,0,0|1,0,1]=4 359 B12R0.109 C#CCCNC(=O)C(CC)CCC 1626a_100000755551_100011416436 [0,1,1,0,0,0|1,0,1]=4 360 B12R0.109 C#CCCNC(=O)C(CC)CCC 240690a_100000755551_100011416436 [0,1,1,0,0,0|1,0,1]=4 361 B12R0.109 C#CCCNC(=O)C(CC)CCC 527a_100000755551_100011416436 [0,1,1,0,0,0|1,0,1]=4 362 B12R0.109 C=CCCCC(=O)C(CC)CCC 1458a_100000766728_100011219200 [0,1,1,0,0,0|2,0,0]=4 363 B12R0.109 C=CCCCC(=O)C(CC)CCC 1458a_100011416436_100000757094 [0,1,1,0,0,0|2,0,0]=4 364 B12R0.109 C=CCCNC(=O)C(CC)CCC 11a_100015191253_100011416436 [0,1,1,0,0,0|1,0,0]=3 365 B12R0.109 C=CCCNC(=O)C(CC)CCC 1626a_100015191253_100011416436 [0,1,1,0,0,0|1,0,0]=3 366 B12R0.109 C=CCCNC(=O)C(CC)CCC 240690a_100015191253_100011416436 [0,1,1,0,0,0|1,0,0]=3 367 B12R0.109 C=CCCNC(=O)C(CC)CCC 527a_100015191253_100011416436 [0,1,1,0,0,0|1,0,0]=3 368 B12R0.109 C=CCCNC(=O)N(CC)CCC 2708a_100015191253_100000226822 [0,1,1,0,0,0|2,0,0]=4 369 B12R0.109 C=CCCNC(=O)N(CC)CCC 273464a_100015191253_100000226822 [0,1,1,0,0,0|2,0,0]=4 370 B12R0.109 C=CCCNC(=O)N(CC)CCO 2708a_100015191253_100000210973 [0,1,1,0,0,0|2,0,0]=4 371 B12R0.109 C=CCCNC(=O)N(CC)CCO 273464a_100015191253_100000210973 [0,1,1,0,0,0|2,0,0]=4 372 B12R0.109 C=CCNNC(=O)C(CC)CCC 22a_100020588587_100011416436 [0,1,1,0,0,0|2,0,0]=4 373 B12R0.109 C=COCCC(=O)C(CC)CCC 1458a_100011416436_100000039644 [0,1,1,0,0,0|2,0,0]=4 374 B12R0.109 CCCC(CC)C(=O)NCCC#N 11a_100000720768_100011416436 [0,1,1,0,0,0|1,0,1]=4 375 B12R0.109 CCCC(CC)C(=O)NCCC#N 1626a_100000720768_100011416436 [0,1,1,0,0,0|1,0,1]=4 376 B12R0.109 CCCC(CC)C(=O)NCCC#N 240690a_100000720768_100011416436 [0,1,1,0,0,0|1,0,1]=4 377 B12R0.109 CCCC(CC)C(=O)NCCC#N 527a_100000720768_100011416436 [0,1,1,0,0,0|1,0,1]=4 378 B12R0.109 CCCC(CC)C(=O)NCCCF 11a_100015189416_100011416436 [0,1,1,0,0,0|1,0,1]=4 379 B12R0.109 CCCC(CC)C(=O)NCCCF 1626a_100015189416_100011416436 [0,1,1,0,0,0|1,0,1]=4 380 B12R0.109 CCCC(CC)C(=O)NCCCF 240690a_100015189416_100011416436 [0,1,1,0,0,0|1,0,1]=4 381 B12R0.109 CCCC(CC)C(=O)NCCCF 527a_100015189416_100011416436 [0,1,1,0,0,0|1,0,1]=4 382 B12R0.109 CCCC(CC)C(=O)NCCCO 240690a_100000182051_100011416436 [0,1,1,0,0,0|0,0,2]=4 383 B12R0.109 CCCC(CC)C(=O)NCCCO 527a_100000182051_100011416436 [0,1,1,0,0,0|0,0,2]=4 384 B12R0.109 CCCC(CC)C(=O)NCCOC 1626a_100000209980_100011416436 [0,1,1,0,0,0|2,0,0]=4 385 B12R0.109 CCCC(CC)C(=O)NCCOC 240690a_100000209980_100011416436 [0,1,1,0,0,0|2,0,0]=4 386 B12R0.109 CCCC(CC)C(=O)NCCOC 527a_100000209980_100011416436 [0,1,1,0,0,0|2,0,0]=4 387 B12R0.109 CCCC(CC)C(=O)NCCSC 11a_100020590264_100011416436 [0,1,1,0,0,0|2,0,0]=4 388 B12R0.109 CCCC(CC)C(=O)NCCSC 1626a_100020590264_100011416436 [0,1,1,0,0,0|2,0,0]=4 389 B12R0.109 CCCC(CC)C(=O)NCCSC 240690a_100020590264_100011416436 [0,1,1,0,0,0|2,0,0]=4 390 B12R0.109 CCCC(CC)C(=O)NCCSC 527a_100020590264_100011416436 [0,1,1,0,0,0|2,0,0]=4 391 B12R0.109 CCCCNC(=O)C(CC)CCC 11a_100000102301_100011416436 [0,1,1,0,0,0|1,0,1]=4 392 B12R0.109 CCCCNC(=O)C(CC)CCC 1626a_100000102301_100011416436 [0,1,1,0,0,0|1,0,1]=4 393 B12R0.109 CCCCNC(=O)C(CC)CCC 240690a_100000102301_100011416436 [0,1,1,0,0,0|1,0,1]=4 394 B12R0.109 CCCCNC(=O)C(CC)CCC 527a_100000102301_100011416436 [0,1,1,0,0,0|1,0,1]=4 395 B12R0.109 CCCCNC(=O)C(CC)NCC 2230a_100015525214_200011763471 [0,1,1,0,0,0|1,0,1]=4 396 B12R0.109 CCCCNC(=O)C(CC)SCC 62a_100000210202_200011763471 [0,1,1,0,0,0|1,0,1]=4 397 B12R0.109 CCCCNC(=O)C(CC)SCC 62a_200011763471_100000210202 [0,1,1,0,0,0|1,0,1]=4 398 B12R0.109 CCNC(CC)C(=O)NCCOC 2230a_100015525214_200011763345 [0,1,1,0,0,0|2,0,0]=4 399 B12R0.109 CCSC(CC)C(=O)NCCOC 62a_100000210202_200011763345 [0,1,1,0,0,0|2,0,0]=4 400 B12R0.109 CCSC(CC)C(=O)NCCOC 62a_200011763345_100000210202 [0,1,1,0,0,0|2,0,0]=4 401 B12R0.116 C#CCCCNC(=O)C(CC)CC 11a_100000718082_100000211163 [0,1,1,0,0,0|1,0,1]=4 402 B12R0.116 C#CCCCNC(=O)C(CC)CC 1626a_100000718082_100000211163 [0,1,1,0,0,0|1,0,1]=4 403 B12R0.116 C#CCCCNC(=O)C(CC)CC 240690a_100000718082_100000211163 [0,1,1,0,0,0|1,0,1]=4 404 B12R0.116 C#CCCCNC(=O)C(CC)CC 527a_100000718082_100000211163 [0,1,1,0,0,0|1,0,1]=4 405 B12R0.116 C=CCCCCC(=O)C(CC)CC 1458a_100000211163_100011215482 [0,1,1,0,0,0|2,0,0]=4 406 B12R0.116 C=CCCCCC(=O)C(CC)CC 1458a_100011215552_100000210505 [0,1,1,0,0,0|2,0,0]=4 407 B12R0.116 C=CCCCNC(=O)C(CC)CC 11a_100000700776_100000211163 [0,1,1,0,0,0|1,0,0]=3 408 B12R0.116 C=CCCCNC(=O)C(CC)CC 1626a_100000700776_100000211163 [0,1,1,0,0,0|1,0,0]=3 409 B12R0.116 C=CCCCNC(=O)C(CC)CC 240690a_100000700776_100000211163 [0,1,1,0,0,0|1,0,0]=3 410 B12R0.116 C=CCCCNC(=O)C(CC)CC 527a_100000700776_100000211163 [0,1,1,0,0,0|1,0,0]=3 411 B12R0.116 C=CCCCNC(=O)C(CC)OC 11a_100000700776_100000747056 [0,1,1,0,0,0|2,0,0]=4 412 B12R0.116 C=CCCCNC(=O)C(CC)OC 1626a_100000700776_100000747056 [0,1,1,0,0,0|2,0,0]=4 413 B12R0.116 C=CCCCNC(=O)C(CC)OC 240690a_100000700776_100000747056 [0,1,1,0,0,0|2,0,0]=4 414 B12R0.116 C=CCCCNC(=O)C(CC)OC 527a_100000700776_100000747056 [0,1,1,0,0,0|2,0,0]=4 415 B12R0.116 C=CCCCNC(=O)N(CC)CC 2708a_100000700776_100000724800 [0,1,1,0,0,0|2,0,0]=4 416 B12R0.116 C=CCCCNC(=O)N(CC)CC 273464a_100000700776_100000724800 [0,1,1,0,0,0|2,0,0]=4 417 B12R0.116 C=CCCNCC(=O)N(CC)CC 2230a_100000174916_100000754431 [0,1,1,0,0,0|2,0,0]=4 418 B12R0.116 C=CCCNCC(=O)N(CC)CC 2230a_100015191253_100000211521 [0,1,1,0,0,0|2,0,0]=4 419 B12R0.116 C=CCNCCC(=O)N(CC)CC 2230a_100020586998_100011194432 [0,1,1,0,0,0|2,0,0]=4 420 B12R0.116 C=CCNCOC(=O)C(CC)CC 2230a_100020586998_100000140015 [0,1,1,0,0,0|2,0,0]=4 421 B12R0.116 C=CCOCCC(=O)C(CC)CC 1458a_200011217002_100000210505 [0,1,1,0,0,0|2,0,0]=4 422 B12R0.116 C=CCOCOC(=O)C(CC)CC 34a_200000210373_100000140015 [0,1,1,0,0,0|2,0,0]=4 423 B12R0.116 C=CCSCOC(=O)C(CC)CC 62a_100000140015_100000210623 [0,1,1,0,0,0|2,0,0]=4 424 B12R0.116 C=CCSCOC(=O)C(CC)CC 62a_100000210623_100000140015 [0,1,1,0,0,0|2,0,0]=4 425 B12R0.116 CC/C=C\CCC(=O)C(CC)CC 1458a_100000211163_100015370543 [0,1,1,0,0,0|2,0,0]=4 426 B12R0.116 CCC(CC)C(=O)NCCCCO 240690a_100000750430_100000211163 [0,1,1,0,0,0|0,0,2]=4 427 B12R0.116 CCC(CC)C(=O)NCCCCO 527a_100000750430_100000211163 [0,1,1,0,0,0|0,0,2]=4 428 B12R0.116 CCC(CC)C(=O)NCCCNC 2230a_106832991635_100011258378 [0,1,1,0,0,0|1,0,1]=4 429 B12R0.116 CCC(CC)C(=O)NCCCNC 7a_106832991635_100011258378 [0,1,1,0,0,0|1,0,1]=4 430 B12R0.116 CCC(CC)C(=O)NCCCOC 1626a_100150723488_100000211163 [0,1,1,0,0,0|0,0,2]=4 431 B12R0.116 CCC(CC)C(=O)NCCCOC 240690a_100150723488_100000211163 [0,1,1,0,0,0|0,0,2]=4 432 B12R0.116 CCC(CC)C(=O)NCCCOC 527a_100150723488_100000211163 [0,1,1,0,0,0|0,0,2]=4 433 B12R0.116 CCC(CC)C(=O)NCCCSC 11a_100000749238_100000211163 [0,1,1,0,0,0|0,1,1]=4 434 B12R0.116 CCC(CC)C(=O)NCCCSC 1626a_100000749238_100000211163 [0,1,1,0,0,0|0,1,1]=4 435 B12R0.116 CCC(CC)C(=O)NCCCSC 240690a_100000749238_100000211163 [0,1,1,0,0,0|0,1,1]=4 436 B12R0.116 CCC(CC)C(=O)NCCCSC 527a_100000749238_100000211163 [0,1,1,0,0,0|0,1,1]=4 437 B12R0.116 CCC(CC)C(=O)NCCCSC 62a_100011258378_200000210301 [0,1,1,0,0,0|0,1,1]=4 438 B12R0.116 CCC(CC)C(=O)NCCCSC 62a_200000210301_100011258378 [0,1,1,0,0,0|0,1,1]=4 439 B12R0.116 CCC(CC)C(=O)NCCCS[13CH3] 62a_100011258378_200025704644 [0,1,1,0,0,0|0,1,1]=4 440 B12R0.116 CCC(CC)C(=O)NCCCS[13CH3] 62a_200025704644_100011258378 [0,1,1,0,0,0|0,1,1]=4 441 B12R0.116 CCC(CC)C(=O)NNCCC#N 22a_100000229987_100000211163 [0,1,1,0,0,0|1,0,1]=4 442 B12R0.116 CCC(CC)C(=O)NNCCOC 22a_100000741390_100000211163 [0,1,1,0,0,0|2,0,0]=4 443 B12R0.116 CCC(CC)C(=O)OCSCC=O 62a_100000140015_200015260668 [0,1,1,0,0,0|1,0,0]=3 444 B12R0.116 CCC(CC)C(=O)OCSCC=O 62a_200015260668_100000140015 [0,1,1,0,0,0|1,0,0]=3 445 B12R0.116 CCCCCNC(=O)C(CC)CC 11a_100000209983_100000211163 [0,1,1,0,0,0|1,0,1]=4 446 B12R0.116 CCCCCNC(=O)C(CC)CC 1626a_100000209983_100000211163 [0,1,1,0,0,0|1,0,1]=4 447 B12R0.116 CCCCCNC(=O)C(CC)CC 240690a_100000209983_100000211163 [0,1,1,0,0,0|1,0,1]=4 448 B12R0.116 CCCCCNC(=O)C(CC)CC 527a_100000209983_100000211163 [0,1,1,0,0,0|1,0,1]=4 449 B12R0.116 CCCCNNC(=O)C(CC)CC 22a_100025702795_100000211163 [0,1,1,0,0,0|1,0,1]=4 450 B12R0.116 CCN(CC)C(=O)CCSCC=O 62a_200015260668_100011194432 [0,1,1,0,0,0|2,0,0]=4 451 B12R0.116 CCN(CC)C(=O)OCSCC=O 62a_200015260668_100000140013 [0,1,1,0,0,0|2,0,0]=4 452 B12R0.116 CCOCCNC(=O)C(CC)CC 11a_100011200944_100000211163 [0,1,1,0,0,0|1,0,1]=4 453 B12R0.116 CCOCCNC(=O)C(CC)CC 1626a_102516460346_100000211163 [0,1,1,0,0,0|1,0,1]=4 454 B12R0.116 CCOCCNC(=O)C(CC)CC 240690a_100011200944_100000211163 [0,1,1,0,0,0|1,0,1]=4 455 B12R0.116 CCOCCNC(=O)C(CC)CC 527a_100011200944_100000211163 [0,1,1,0,0,0|1,0,1]=4 456 B12R0.116 CCSCCNC(=O)C(CC)CC 11a_100000106463_100000211163 [0,1,1,0,0,0|1,0,1]=4 457 B12R0.116 CCSCCNC(=O)C(CC)CC 1626a_100000106463_100000211163 [0,1,1,0,0,0|1,0,1]=4 458 B12R0.116 CCSCCNC(=O)C(CC)CC 240690a_100000106463_100000211163 [0,1,1,0,0,0|1,0,1]=4 459 B12R0.116 CCSCCNC(=O)C(CC)CC 527a_100000106463_100000211163 [0,1,1,0,0,0|1,0,1]=4 460 B12R0.149 CCC(C)CNC(=O)C(CC)CC 11a_100020588543_100000211163 [0,1,1,0,0,0|1,0,1]=4 461 B12R0.149 CCC(C)CNC(=O)C(CC)CC 1626a_100020588543_100000211163 [0,1,1,0,0,0|1,0,1]=4 462 B12R0.149 CCC(C)CNC(=O)C(CC)CC 240690a_100020588543_100000211163 [0,1,1,0,0,0|1,0,1]=4 463 B12R0.149 CCC(C)CNC(=O)C(CC)CC 527a_100020588543_100000211163 [0,1,1,0,0,0|1,0,1]=4 464 B12R0.149 CCC(CC)C(=O)CCN(C)CC 1458a_100000755305_100000210505 [0,1,1,0,0,0|1,0,1]=4 465 B12R0.149 CCC(CC)C(=O)NCC(C)CO 240690a_100000744482_100000211163 [0,1,1,0,0,0|0,0,2]=4 466 B12R0.149 CCC(CC)C(=O)NCC(C)CO 527a_100000744482_100000211163 [0,1,1,0,0,0|0,0,2]=4 467 B12R0.149 CCC(CC)C(=O)NC[C@@H](C)OC 11a_100020591295_100000211163 [0,1,1,0,0,0|2,0,0]=4 468 B12R0.149 CCC(CC)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000211163 [0,1,1,0,0,0|2,0,0]=4 469 B12R0.149 CCC(CC)C(=O)NC[C@@H](C)OC 240690a_100020591295_100000211163 [0,1,1,0,0,0|2,0,0]=4 470 B12R0.149 CCC(CC)C(=O)NC[C@@H](C)OC 527a_100020591295_100000211163 [0,1,1,0,0,0|2,0,0]=4 471 B12R0.149 CCC(CC)C(=O)NC[C@@H](F)CO 240690a_100015665980_100000211163 [0,1,1,0,0,0|0,0,2]=4 472 B12R0.149 CCC(CC)C(=O)NC[C@@H](F)CO 527a_100015665980_100000211163 [0,1,1,0,0,0|0,0,2]=4 473 B12R0.149 CCC(CC)C(=O)NC[C@H](O)CO 240690a_100020644852_100000211163 [0,1,1,0,0,0|0,0,2]=4 474 B12R0.149 CCC(CC)C(=O)NC[C@H](O)CO 527a_100020644852_100000211163 [0,1,1,0,0,0|0,0,2]=4 475 B12R0.149 CCC(O)CNC(=O)C(CC)CC 11a_100011218483_100000211163 [0,1,1,0,0,0|1,0,1]=4 476 B12R0.149 CCC(O)CNC(=O)C(CC)CC 240690a_100011218483_100000211163 [0,1,1,0,0,0|1,0,1]=4 477 B12R0.149 CCC(O)CNC(=O)C(CC)CC 527a_100011218483_100000211163 [0,1,1,0,0,0|1,0,1]=4 478 B12R0.295 C#CCCNC(=O)C(C)(CC)CC 11a_100000755551_100000760562 [0,1,1,0,0,0|1,0,1]=4 479 B12R0.295 C#CCCNC(=O)C(C)(CC)CC 1626a_100000755551_100000760562 [0,1,1,0,0,0|1,0,1]=4 480 B12R0.295 C#CCCNC(=O)C(C)(CC)CC 240690a_100000755551_100000760562 [0,1,1,0,0,0|1,0,1]=4 481 B12R0.295 C#CCCNC(=O)C(C)(CC)CC 527a_100000755551_100000760562 [0,1,1,0,0,0|1,0,1]=4 482 B12R0.295 C=CCCCC(=O)C(C)(CC)CC 1458a_100000760562_100000757094 [0,1,1,0,0,0|2,0,0]=4 483 B12R0.295 C=CCCCC(=O)C(C)(CC)CC 1458a_100000766728_100009817345 [0,1,1,0,0,0|2,0,0]=4 484 B12R0.295 C=CCCNC(=O)C(C)(CC)CC 11a_100015191253_100000760562 [0,1,1,0,0,0|1,0,0]=3 485 B12R0.295 C=CCCNC(=O)C(C)(CC)CC 1626a_100015191253_100000760562 [0,1,1,0,0,0|1,0,0]=3 486 B12R0.295 C=CCCNC(=O)C(C)(CC)CC 240690a_100015191253_100000760562 [0,1,1,0,0,0|1,0,0]=3 487 B12R0.295 C=CCCNC(=O)C(C)(CC)CC 527a_100015191253_100000760562 [0,1,1,0,0,0|1,0,0]=3 488 B12R0.295 C=CCNNC(=O)C(C)(CC)CC 22a_100020588587_100000760562 [0,1,1,0,0,0|2,0,0]=4 489 B12R0.295 C=COCCC(=O)C(C)(CC)CC 1458a_100000760562_100000039644 [0,1,1,0,0,0|2,0,0]=4 490 B12R0.295 CCC(C)(CC)C(=O)NCCC#N 11a_100000720768_100000760562 [0,1,1,0,0,0|1,0,1]=4 491 B12R0.295 CCC(C)(CC)C(=O)NCCC#N 1626a_100000720768_100000760562 [0,1,1,0,0,0|1,0,1]=4 492 B12R0.295 CCC(C)(CC)C(=O)NCCC#N 240690a_100000720768_100000760562 [0,1,1,0,0,0|1,0,1]=4 493 B12R0.295 CCC(C)(CC)C(=O)NCCC#N 527a_100000720768_100000760562 [0,1,1,0,0,0|1,0,1]=4 494 B12R0.295 CCC(C)(CC)C(=O)NCCCF 11a_100015189416_100000760562 [0,1,1,0,0,0|1,0,1]=4 495 B12R0.295 CCC(C)(CC)C(=O)NCCCF 1626a_100015189416_100000760562 [0,1,1,0,0,0|1,0,1]=4 496 B12R0.295 CCC(C)(CC)C(=O)NCCCF 240690a_100015189416_100000760562 [0,1,1,0,0,0|1,0,1]=4 497 B12R0.295 CCC(C)(CC)C(=O)NCCCF 527a_100015189416_100000760562 [0,1,1,0,0,0|1,0,1]=4 498 B12R0.295 CCC(C)(CC)C(=O)NCCCO 240690a_100000182051_100000760562 [0,1,1,0,0,0|0,0,2]=4 499 B12R0.295 CCC(C)(CC)C(=O)NCCCO 527a_100000182051_100000760562 [0,1,1,0,0,0|0,0,2]=4 500 B12R0.295 CCC(C)(CC)C(=O)NCCOC 1626a_100000209980_100000760562 [0,1,1,0,0,0|2,0,0]=4 501 B12R0.295 CCC(C)(CC)C(=O)NCCOC 240690a_100000209980_100000760562 [0,1,1,0,0,0|2,0,0]=4 502 B12R0.295 CCC(C)(CC)C(=O)NCCOC 527a_100000209980_100000760562 [0,1,1,0,0,0|2,0,0]=4 503 B12R0.295 CCC(C)(CC)C(=O)NCCSC 11a_100020590264_100000760562 [0,1,1,0,0,0|2,0,0]=4 504 B12R0.295 CCC(C)(CC)C(=O)NCCSC 1626a_100020590264_100000760562 [0,1,1,0,0,0|2,0,0]=4 505 B12R0.295 CCC(C)(CC)C(=O)NCCSC 240690a_100020590264_100000760562 [0,1,1,0,0,0|2,0,0]=4 506 B12R0.295 CCC(C)(CC)C(=O)NCCSC 527a_100020590264_100000760562 [0,1,1,0,0,0|2,0,0]=4 507 B12R0.295 CCCCNC(=O)C(C)(CC)CC 11a_100000102301_100000760562 [0,1,1,0,0,0|1,0,1]=4 508 B12R0.295 CCCCNC(=O)C(C)(CC)CC 1626a_100000102301_100000760562 [0,1,1,0,0,0|1,0,1]=4 509 B12R0.295 CCCCNC(=O)C(C)(CC)CC 240690a_100000102301_100000760562 [0,1,1,0,0,0|1,0,1]=4 510 B12R0.295 CCCCNC(=O)C(C)(CC)CC 527a_100000102301_100000760562 [0,1,1,0,0,0|1,0,1]=4 511 B12R0.677 C=C(C)CNNC(=O)C(CC)CC 22a_100000729518_100000211163 [0,1,1,0,0,0|2,0,0]=4 512 B12R0.677 CCC(CC)C(=O)CCC=C(C)C 1458a_100000211163_100011217483 [0,1,1,0,0,0|2,0,0]=4 513 B12R0.677 CCC(CC)C(=O)CCC=C(F)F 1458a_100000211163_200009816681 [0,1,1,0,0,0|2,0,0]=4 514 B12R0.677 CCC(CC)C(=O)CCCC(=O)C 1458a_100000211163_100011215641 [0,1,1,0,0,0|1,0,0]=3 515 B12R0.677 CCC(CC)C(=O)CCCC(=O)N 1458a_100000211163_100102525003 [0,1,1,0,0,0|1,0,0]=3 516 B12R0.677 CCC(CC)C(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210505 [0,1,1,0,0,0|2,0,0]=4 517 B12R0.677 CCC(CC)C(=O)CCN=C(N)N 1458a_100000033030_100000210505 [0,1,1,0,0,0|1,0,1]=4 518 B12R0.677 CCC(CC)C(=O)CCNC(=O)C 1458a_100000183196_100000210505 [0,1,1,0,0,0|0,0,0]=2 519 B12R0.677 CCC(CC)C(=O)CCNC(=O)C 1458a_100000211163_100000189650 [0,1,1,0,0,0|0,0,0]=2 520 B12R0.677 CCC(CC)C(=O)CCNC(=O)N 1458a_100000181464_100000210505 [0,1,1,0,0,0|0,0,0]=2 521 B12R0.677 CCC(CC)C(=O)CCNC(=O)N 1458a_100000211163_200000034859 [0,1,1,0,0,0|0,0,0]=2 522 B12R0.677 CCC(CC)C(=O)CCOC(=O)C 1458a_100000211163_100009814007 [0,1,1,0,0,0|1,0,0]=3 523 B12R0.677 CCC(CC)C(=O)CCOC(=O)N 1458a_100000211163_200011214921 [0,1,1,0,0,0|1,0,0]=3 524 B12R0.677 CCC(CC)C(=O)CCSC(=O)C 1458a_100000048949_100000210505 [0,1,1,0,0,0|1,0,0]=3 525 B12R0.677 CCC(CC)C(=O)COCC(=O)N 1458a_100011219004_100000210505 [0,1,1,0,0,0|2,0,0]=4 526 B12R0.677 CCC(CC)C(=O)NCC=C(C)C 11a_100000718196_100000211163 [0,1,1,0,0,0|1,0,1]=4 527 B12R0.677 CCC(CC)C(=O)NCC=C(C)C 1626a_100000718196_100000211163 [0,1,1,0,0,0|1,0,1]=4 528 B12R0.677 CCC(CC)C(=O)NCC=C(C)C 527a_100000718196_100000211163 [0,1,1,0,0,0|1,0,1]=4 529 B12R0.677 CCC(CC)C(=O)NCCC(=O)N 11a_100000740010_100000211163 [0,1,1,0,0,0|0,0,0]=2 530 B12R0.677 CCC(CC)C(=O)NCCC(=O)N 240690a_100000740010_100000211163 [0,1,1,0,0,0|0,0,0]=2 531 B12R0.677 CCC(CC)C(=O)NCCC(=O)N 527a_100000740010_100000211163 [0,1,1,0,0,0|0,0,0]=2 532 B12R0.677 CCC(CC)C(=O)NCCC(C)C 11a_100000210545_100000211163 [0,1,1,0,0,0|1,0,1]=4 533 B12R0.677 CCC(CC)C(=O)NCCC(C)C 1626a_100000210545_100000211163 [0,1,1,0,0,0|1,0,1]=4 534 B12R0.677 CCC(CC)C(=O)NCCC(C)C 240690a_100000210545_100000211163 [0,1,1,0,0,0|1,0,1]=4 535 B12R0.677 CCC(CC)C(=O)NCCC(C)C 527a_100000210545_100000211163 [0,1,1,0,0,0|1,0,1]=4 536 B12R0.677 CCC(CC)C(=O)NCCC(C)O 240690a_200000755665_100000211163 [0,1,1,0,0,0|0,0,2]=4 537 B12R0.677 CCC(CC)C(=O)NCCC(C)O 527a_200000755665_100000211163 [0,1,1,0,0,0|0,0,2]=4 538 B12R0.677 CCC(CC)C(=O)NCCN(C)C 240690a_100000210585_100000211163 [0,1,1,0,0,0|2,0,0]=4 539 B12R0.677 CCC(CC)C(=O)NCCN(C)C 527a_100000210585_100000211163 [0,1,1,0,0,0|2,0,0]=4 540 B12R0.677 CCC(CC)C(C)NCCC(=O)N 269862a_100000740010_100011393642 [0,1,1,0,0,0|1,0,1]=4 541 B12R0.677 CCC(CC)N(C)CCNC(=O)C 2230a_100000737045_100000189650 [0,1,1,0,0,0|2,0,0]=4 542 B12R0.677 CCC(CC)N(C)CCNC(=O)C 269982a_100000737045_100000189650 [0,1,1,0,0,0|2,0,0]=4 543 B12R0.677 CCC(CC)N(C)CCNC(=O)N 2230a_100000737045_200000034859 [0,1,1,0,0,0|2,0,0]=4 544 B12R0.677 CCC(CC)N(C)CCNC(=O)N 269982a_100000737045_200000034859 [0,1,1,0,0,0|2,0,0]=4 545 B12R0.677 CCC(OC)C(=O)CCCC(=O)C 1458a_100000747056_100011215641 [0,1,1,0,0,0|2,0,0]=4 546 B12R0.677 CCC(OC)C(=O)CCCC(=O)N 1458a_100000747056_100102525003 [0,1,1,0,0,0|2,0,0]=4 547 B12R0.677 CCC(OC)C(=O)CCNC(=O)C 1458a_100000747056_100000189650 [0,1,1,0,0,0|1,0,0]=3 548 B12R0.677 CCC(OC)C(=O)CCNC(=O)N 1458a_100000747056_200000034859 [0,1,1,0,0,0|1,0,0]=3 549 B12R0.677 CCC(OC)C(=O)CCOC(=O)C 1458a_100000747056_100009814007 [0,1,1,0,0,0|2,0,0]=4 550 B12R0.677 CCC(OC)C(=O)CCOC(=O)N 1458a_100000747056_200011214921 [0,1,1,0,0,0|2,0,0]=4 551 B12R0.677 CCC(OC)C(=O)NCCC(=O)N 11a_100000740010_100000747056 [0,1,1,0,0,0|1,0,0]=3 552 B12R0.677 CCC(OC)C(=O)NCCC(=O)N 240690a_100000740010_100000747056 [0,1,1,0,0,0|1,0,0]=3 553 B12R0.677 CCC(OC)C(=O)NCCC(=O)N 527a_100000740010_100000747056 [0,1,1,0,0,0|1,0,0]=3 554 B12R0.677 CCN(CC)C(=O)CCCC(=O)C 1458a_100000070787_100000183999 [0,1,1,0,0,0|2,0,0]=4 555 B12R0.677 CCN(CC)C(=O)CCCC(=O)C 1458a_100000199555_200000210301 [0,1,1,0,0,0|2,0,0]=4 556 B12R0.677 CCN(CC)C(=O)CCCC(=O)[13CH3] 1458a_100000199555_200025704644 [0,1,1,0,0,0|2,0,0]=4 557 B12R0.677 CCN(CC)C(=O)CCNC(=O)C 11a_100000724800_100000183196 [0,1,1,0,0,0|1,0,0]=3 558 B12R0.677 CCN(CC)C(=O)CCNC(=O)C 11a_100015300326_100015343762 [0,1,1,0,0,0|1,0,0]=3 559 B12R0.677 CCN(CC)C(=O)CCNC(=O)C 1626a_100000724800_100000183196 [0,1,1,0,0,0|1,0,0]=3 560 B12R0.677 CCN(CC)C(=O)CCNC(=O)C 1626a_100015300326_100015343762 [0,1,1,0,0,0|1,0,0]=3 561 B12R0.677 CCN(CC)C(=O)CCNC(=O)C 240690a_100000724800_100000183196 [0,1,1,0,0,0|1,0,0]=3 562 B12R0.677 CCN(CC)C(=O)CCNC(=O)C 240690a_100015300326_100015343762 [0,1,1,0,0,0|1,0,0]=3 563 B12R0.677 CCN(CC)C(=O)CCNC(=O)C 527a_100000724800_100000183196 [0,1,1,0,0,0|1,0,0]=3 564 B12R0.677 CCN(CC)C(=O)CCNC(=O)C 527a_100015300326_100103153847 [0,1,1,0,0,0|1,0,0]=3 565 B12R0.677 CCN(CC)C(=O)CCNC(=O)N 240690a_100000724800_100000181464 [0,1,1,0,0,0|1,0,0]=3 566 B12R0.677 CCN(CC)C(=O)CCNC(=O)N 527a_100000724800_100000181464 [0,1,1,0,0,0|1,0,0]=3 567 B12R0.677 CCN(CC)C(=O)CCSC(=O)C 1626a_100000724800_100000048949 [0,1,1,0,0,0|2,0,0]=4 568 B12R0.677 CCN(CC)C(=O)CCSC(=O)C 240690a_100000724800_100000048949 [0,1,1,0,0,0|2,0,0]=4 569 B12R0.677 CCN(CC)C(=O)NCCC(=O)N 273464a_100000740010_100000724800 [0,1,1,0,0,0|1,0,0]=3 570 B12R0.677 COC(OC)C(=O)CCNC(=O)C 1458a_100000046285_100000189650 [0,1,1,0,0,0|2,0,0]=4 571 B12R0.677 COC(OC)C(=O)CCNC(=O)N 1458a_100000046285_200000034859 [0,1,1,0,0,0|2,0,0]=4 572 B12R0.677 COC(OC)C(=O)NCCC(=O)N 11a_100000740010_100000046285 [0,1,1,0,0,0|2,0,0]=4 573 B12R0.677 COC(OC)C(=O)NCCC(=O)N 240690a_100000740010_100000046285 [0,1,1,0,0,0|2,0,0]=4 574 B12R0.677 COC(OC)C(=O)NCCC(=O)N 527a_100000740010_100000046285 [0,1,1,0,0,0|2,0,0]=4 575 B12R0.365 CCOC(=O)C(CC)(CC)C(=O)C 1458a_100000070787_200009990444 [0,1,1,0,0,0|1,0,0]=3 576 B12R0.378 CCC(C#N)(CC)C(=O)NC(C)C 11a_100138425928_100011499467 [0,1,1,0,0,0|1,0,1]=4 577 B12R0.378 CCC(C#N)(CC)C(=O)NC(C)C 240690a_100138425928_100011499467 [0,1,1,0,0,0|1,0,1]=4 578 B12R0.378 CCC(C#N)(CC)C(=O)NC(C)C 527a_100138425928_100011499467 [0,1,1,0,0,0|1,0,1]=4 579 B12R0.451 CCN(C)C(=O)C(C#N)(CC)CC 11a_100000225621_100011499467 [0,1,1,0,0,0|1,0,1]=4 580 B12R0.451 CCN(C)C(=O)C(C#N)(CC)CC 240690a_100000225621_100011499467 [0,1,1,0,0,0|1,0,1]=4 581 B12R0.451 CCN(C)C(=O)C(C#N)(CC)CC 527a_100000225621_100011499467 [0,1,1,0,0,0|1,0,1]=4 582 B12R0.456 CCC(C#N)(CC)C(=O)NCCF 11a_100000724931_100011499467 [0,1,1,0,0,0|1,0,1]=4 583 B12R0.456 CCC(C#N)(CC)C(=O)NCCF 240690a_100000724931_100011499467 [0,1,1,0,0,0|1,0,1]=4 584 B12R0.456 CCC(C#N)(CC)C(=O)NCCF 527a_100000724931_100011499467 [0,1,1,0,0,0|1,0,1]=4 585 B12R0.456 CCC(C#N)(CC)C(=O)NCCO 240690a_100000210304_100011499467 [0,1,1,0,0,0|1,0,1]=4 586 B12R0.456 CCC(C#N)(CC)C(=O)NCCO 527a_100000210304_100011499467 [0,1,1,0,0,0|1,0,1]=4 587 B12R0.456 CCCNC(=O)C(C#N)(CC)CC 11a_100020643023_100011499467 [0,1,1,0,0,0|1,0,1]=4 588 B12R0.456 CCCNC(=O)C(C#N)(CC)CC 240690a_100020643023_100011499467 [0,1,1,0,0,0|1,0,1]=4 589 B12R0.456 CCCNC(=O)C(C#N)(CC)CC 527a_100020643023_100011499467 [0,1,1,0,0,0|1,0,1]=4 590 B12R0.456 CCNNC(=O)C(C#N)(CC)CC 22a_100000756455_100011499467 [0,1,1,0,0,0|1,0,1]=4 591 B12R1.1965 CCC1(C(=O)NCCN1CF)C 269982a_100011653952_100015361967 [1,1,0,0,0,0|2,0,0]=4 592 B12R1.1965 CCC1(C(=O)NCCN1CF)C 34a_100011653952_100015361967 [1,1,0,0,0,0|2,0,0]=4 593 B12R1.1965 CCN1CCNC(=O)C1(C)CC 2230a_100011653952_100000210202 [1,1,0,0,0,0|2,0,0]=4 594 B12R1.1965 CCN1CCNC(=O)C1(C)CC 269982a_100011653952_100000204670 [1,1,0,0,0,0|2,0,0]=4 595 B12R1.1965 CCN1CCNC(=O)C1(C)CC 34a_100011653952_100000210202 [1,1,0,0,0,0|2,0,0]=4 596 B12R1.13 CCC(CC)N1CCNC(=O)C1 270004a_100000184651_100000210860 [0,0,1,1,0,0|2,0,0]=4 597 B12R1.35 C#CCCNC(=O)C1CCCC1 11a_100000755551_100000210718 [0,0,1,1,0,0|1,0,1]=4 598 B12R1.35 C#CCCNC(=O)C1CCCC1 1626a_100000755551_100000210718 [0,0,1,1,0,0|1,0,1]=4 599 B12R1.35 C#CCCNC(=O)C1CCCC1 240690a_100000755551_100000210718 [0,0,1,1,0,0|1,0,1]=4 600 B12R1.35 C#CCCNC(=O)C1CCCC1 527a_100000755551_100000210718 [0,0,1,1,0,0|1,0,1]=4 601 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000210718_100000757094 [0,0,1,1,0,0|2,0,0]=4 602 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000766728_100000179811 [0,0,1,1,0,0|2,0,0]=4 603 B12R1.35 C=CCCNC(=O)C1CCCC1 11a_100015191253_100000210718 [0,0,1,1,0,0|1,0,0]=3 604 B12R1.35 C=CCCNC(=O)C1CCCC1 1626a_100015191253_100000210718 [0,0,1,1,0,0|1,0,0]=3 605 B12R1.35 C=CCCNC(=O)C1CCCC1 240690a_100015191253_100000210718 [0,0,1,1,0,0|1,0,0]=3 606 B12R1.35 C=CCCNC(=O)C1CCCC1 527a_100015191253_100000210718 [0,0,1,1,0,0|1,0,0]=3 607 B12R1.35 C=CCCNC(=O)C1CCCS1 11a_100015191253_100012002731 [0,0,1,1,0,0|2,0,0]=4 608 B12R1.35 C=CCCNC(=O)C1CCCS1 1626a_100015191253_100012002731 [0,0,1,1,0,0|2,0,0]=4 609 B12R1.35 C=CCCNC(=O)C1CCCS1 240690a_100015191253_100012002731 [0,0,1,1,0,0|2,0,0]=4 610 B12R1.35 C=CCCNC(=O)C1CCCS1 527a_100015191253_100012002731 [0,0,1,1,0,0|2,0,0]=4 611 B12R1.35 C=CCCNC(=O)C1CCOC1 11a_100015191253_100011219752 [0,0,1,1,0,0|2,0,0]=4 612 B12R1.35 C=CCCNC(=O)C1CCOC1 1626a_100015191253_100011219752 [0,0,1,1,0,0|2,0,0]=4 613 B12R1.35 C=CCCNC(=O)C1CCOC1 240690a_100015191253_100011219752 [0,0,1,1,0,0|2,0,0]=4 614 B12R1.35 C=CCCNC(=O)C1CCOC1 527a_100015191253_100011219752 [0,0,1,1,0,0|2,0,0]=4 615 B12R1.35 C=CCCNC(=O)N1CCCC1 2708a_100015191253_100000188435 [0,0,1,1,0,0|2,0,0]=4 616 B12R1.35 C=CCCNC(=O)N1CCCC1 273464a_100015191253_100000188435 [0,0,1,1,0,0|2,0,0]=4 617 B12R1.35 C=CCCNC(=O)[C@@H]1CCCO1 11a_100015191253_100000686382 [0,0,1,1,0,0|2,0,0]=4 618 B12R1.35 C=CCCNC(=O)[C@@H]1CCCO1 1626a_100015191253_100000686382 [0,0,1,1,0,0|2,0,0]=4 619 B12R1.35 C=CCCNC(=O)[C@@H]1CCCO1 240690a_100015191253_100000686382 [0,0,1,1,0,0|2,0,0]=4 620 B12R1.35 C=CCCNC(=O)[C@@H]1CCCO1 527a_100015191253_100000686382 [0,0,1,1,0,0|2,0,0]=4 621 B12R1.35 C=CCNNC(=O)C1CCCC1 22a_100020588587_100000210718 [0,0,1,1,0,0|2,0,0]=4 622 B12R1.35 C=COCCC(=O)C1CCCC1 1458a_100000210718_100000039644 [0,0,1,1,0,0|2,0,0]=4 623 B12R1.35 CCCCNC(=O)C1CCCC1 11a_100000102301_100000210718 [0,0,1,1,0,0|1,0,1]=4 624 B12R1.35 CCCCNC(=O)C1CCCC1 1626a_100000102301_100000210718 [0,0,1,1,0,0|1,0,1]=4 625 B12R1.35 CCCCNC(=O)C1CCCC1 240690a_100000102301_100000210718 [0,0,1,1,0,0|1,0,1]=4 626 B12R1.35 CCCCNC(=O)C1CCCC1 527a_100000102301_100000210718 [0,0,1,1,0,0|1,0,1]=4 627 B12R1.35 COCCNC(=O)C1CCCC1 1626a_100000209980_100000210718 [0,0,1,1,0,0|2,0,0]=4 628 B12R1.35 COCCNC(=O)C1CCCC1 240690a_100000209980_100000210718 [0,0,1,1,0,0|2,0,0]=4 629 B12R1.35 COCCNC(=O)C1CCCC1 527a_100000209980_100000210718 [0,0,1,1,0,0|2,0,0]=4 630 B12R1.35 CSCCNC(=O)C1CCCC1 11a_100020590264_100000210718 [0,0,1,1,0,0|2,0,0]=4 631 B12R1.35 CSCCNC(=O)C1CCCC1 1626a_100020590264_100000210718 [0,0,1,1,0,0|2,0,0]=4 632 B12R1.35 CSCCNC(=O)C1CCCC1 240690a_100020590264_100000210718 [0,0,1,1,0,0|2,0,0]=4 633 B12R1.35 CSCCNC(=O)C1CCCC1 527a_100020590264_100000210718 [0,0,1,1,0,0|2,0,0]=4 634 B12R1.35 N#CCCNC(=O)C1CCCC1 11a_100000720768_100000210718 [0,0,1,1,0,0|1,0,1]=4 635 B12R1.35 N#CCCNC(=O)C1CCCC1 1626a_100000720768_100000210718 [0,0,1,1,0,0|1,0,1]=4 636 B12R1.35 N#CCCNC(=O)C1CCCC1 240690a_100000720768_100000210718 [0,0,1,1,0,0|1,0,1]=4 637 B12R1.35 N#CCCNC(=O)C1CCCC1 527a_100000720768_100000210718 [0,0,1,1,0,0|1,0,1]=4 638 B12R1.35 O=C(NCCCF)C1CCCC1 11a_100015189416_100000210718 [0,0,1,1,0,0|1,0,1]=4 639 B12R1.35 O=C(NCCCF)C1CCCC1 1626a_100015189416_100000210718 [0,0,1,1,0,0|1,0,1]=4 640 B12R1.35 O=C(NCCCF)C1CCCC1 240690a_100015189416_100000210718 [0,0,1,1,0,0|1,0,1]=4 641 B12R1.35 O=C(NCCCF)C1CCCC1 527a_100015189416_100000210718 [0,0,1,1,0,0|1,0,1]=4 642 B12R1.35 O=C(NCCCO)C1CCCC1 240690a_100000182051_100000210718 [0,0,1,1,0,0|0,0,2]=4 643 B12R1.35 O=C(NCCCO)C1CCCC1 527a_100000182051_100000210718 [0,0,1,1,0,0|0,0,2]=4 644 B12R1.74 CCC(CC)C(=O)C1CC=CC1 1458a_100000759439_100000210505 [0,0,1,1,0,0|2,0,0]=4 645 B12R1.74 CCC(CC)C(=O)N1CC=CC1 1626a_100015195280_100000211163 [0,0,1,1,0,0|1,0,1]=4 646 B12R1.74 CCC(CC)C(=O)N1CC=CC1 240690a_100015195280_100000211163 [0,0,1,1,0,0|1,0,1]=4 647 B12R1.74 CCC(CC)C(=O)N1CCCC1 240690a_100000188435_100000211163 [0,0,1,1,0,0|1,0,1]=4 648 B12R1.74 CCC(CC)C(=O)N1CCCC1 527a_100000188435_100000211163 [0,0,1,1,0,0|1,0,1]=4 649 B12R1.74 CCC(CC)C(=O)N1CCSC1 11a_100011215254_100000211163 [0,0,1,1,0,0|2,0,0]=4 650 B12R1.74 CCC(CC)C(=O)N1CCSC1 240690a_100011215254_100000211163 [0,0,1,1,0,0|2,0,0]=4 651 B12R1.74 CCC(CC)C(=O)N1CCSC1 527a_100011215254_100000211163 [0,0,1,1,0,0|2,0,0]=4 652 B12R1.485 C=CCCNC(=O)N1CCC1C 2708a_100015191253_100000755817 [0,0,1,1,0,0|2,0,0]=4 653 B12R1.485 C=CCCNC(=O)N1CCC1C 273464a_100015191253_100000755817 [0,0,1,1,0,0|2,0,0]=4 654 B12R1.639 CCC(CC)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211163 [0,0,1,1,0,0|1,0,1]=4 655 B12R1.639 CCC(CC)C(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211163 [0,0,1,1,0,0|1,0,1]=4 656 B12R1.639 CCC(CC)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211163 [0,0,1,1,0,0|1,0,1]=4 657 B12R1.639 CCC(CC)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211163 [0,0,1,1,0,0|1,0,1]=4 658 B12R1.639 CCC(CC)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211163 [0,0,1,1,0,0|1,0,1]=4 659 B12R1.639 CCC(CC)C(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211163 [0,0,1,1,0,0|1,0,1]=4 660 B12R1.640 CCC(CC)C(=O)NC1CCC1 11a_100000749019_100000211163 [0,0,1,1,0,0|1,0,1]=4 661 B12R1.640 CCC(CC)C(=O)NC1CCC1 1626a_100000749019_100000211163 [0,0,1,1,0,0|1,0,1]=4 662 B12R1.640 CCC(CC)C(=O)NC1CCC1 240690a_100000749019_100000211163 [0,0,1,1,0,0|1,0,1]=4 663 B12R1.640 CCC(CC)C(=O)NC1CCC1 527a_100000749019_100000211163 [0,0,1,1,0,0|1,0,1]=4 664 B12R1.640 CCC(CC)C(=O)NC1COC1 11a_100016991112_100000211163 [0,0,1,1,0,0|2,0,0]=4 665 B12R1.640 CCC(CC)C(=O)NC1COC1 1626a_100016991112_100000211163 [0,0,1,1,0,0|2,0,0]=4 666 B12R1.640 CCC(CC)C(=O)NC1COC1 240690a_100016991112_100000211163 [0,0,1,1,0,0|2,0,0]=4 667 B12R1.640 CCC(CC)C(=O)NC1COC1 527a_100016991112_100000211163 [0,0,1,1,0,0|2,0,0]=4 668 B12R1.640 CCC(CC)C(=O)NC1CSC1 11a_100016994217_100000211163 [0,0,1,1,0,0|2,0,0]=4 669 B12R1.640 CCC(CC)C(=O)NC1CSC1 1626a_100016994217_100000211163 [0,0,1,1,0,0|2,0,0]=4 670 B12R1.640 CCC(CC)C(=O)NC1CSC1 240690a_100016994217_100000211163 [0,0,1,1,0,0|2,0,0]=4 671 B12R1.640 CCC(CC)C(=O)NC1CSC1 527a_100016994217_100000211163 [0,0,1,1,0,0|2,0,0]=4 672 B12R1.641 CCC(CC)C(=O)NCC1CC1 11a_100000735609_100000211163 [0,0,1,1,0,0|1,0,1]=4 673 B12R1.641 CCC(CC)C(=O)NCC1CC1 1626a_100000735609_100000211163 [0,0,1,1,0,0|1,0,1]=4 674 B12R1.641 CCC(CC)C(=O)NCC1CC1 240690a_100000735609_100000211163 [0,0,1,1,0,0|1,0,1]=4 675 B12R1.641 CCC(CC)C(=O)NCC1CC1 527a_100000735609_100000211163 [0,0,1,1,0,0|1,0,1]=4 676 B12R1.642 CCC(CC)C(=O)C1CCC1=O 1458a_100000211163_100009892977 [0,0,1,1,0,0|1,0,0]=3 677 B12R1.642 CCC(CC)C(=O)N1CCC1C 11a_100000755817_100000211163 [0,0,1,1,0,0|1,0,1]=4 678 B12R1.642 CCC(CC)C(=O)N1CCC1C 240690a_100000755817_100000211163 [0,0,1,1,0,0|1,0,1]=4 679 B12R1.642 CCC(CC)C(=O)N1CCC1C 527a_100000755817_100000211163 [0,0,1,1,0,0|1,0,1]=4 680 B12R1.642 CCC(OC)C(=O)C1CCC1=O 1458a_100000747056_100009892977 [0,0,1,1,0,0|2,0,0]=4 681 B12R1.2137 C=CCCNC(=O)C1(CC1)CO 1626a_100015191253_100012027107 [0,0,1,1,0,0|2,0,0]=4 682 B12R1.2137 C=CCCNC(=O)C1(CC1)CO 240690a_100015191253_100012027107 [0,0,1,1,0,0|2,0,0]=4 683 B12R1.2137 C=CCCNC(=O)C1(CC1)OC 11a_100015191253_100000137688 [0,0,1,1,0,0|2,0,0]=4 684 B12R1.2137 C=CCCNC(=O)C1(CC1)OC 1626a_100015191253_100000137688 [0,0,1,1,0,0|2,0,0]=4 685 B12R1.2137 C=CCCNC(=O)C1(CC1)OC 240690a_100015191253_100000137688 [0,0,1,1,0,0|2,0,0]=4 686 B12R1.2137 C=CCCNC(=O)C1(CC1)OC 527a_100015191253_100000137688 [0,0,1,1,0,0|2,0,0]=4 687 B12R1.3395 CCNC(=O)C1(CCCC1)C#N 11a_100015525214_100000209868 [0,0,1,1,0,0|1,0,1]=4 688 B12R1.3395 CCNC(=O)C1(CCCC1)C#N 240690a_100015525214_100000209868 [0,0,1,1,0,0|1,0,1]=4 689 B14R2.51 CN1CCNC(=O)C12CCCCC2 2230a_100011653902_200000210301 [0,1,0,1,0,0|2,0,0]=4 690 B14R2.51 CN1CCNC(=O)C12CCCCC2 269982a_100011653902_200000210301 [0,1,0,1,0,0|2,0,0]=4 691 B14R2.51 CN1CCNC(=O)C12CCCCC2 34a_100011653902_200000210301 [0,1,0,1,0,0|2,0,0]=4 692 B14R2.51 [13CH3]N1CCNC(=O)C12CCCCC2 2230a_100011653902_200025704644 [0,1,0,1,0,0|2,0,0]=4 693 B14R2.51 [13CH3]N1CCNC(=O)C12CCCCC2 269982a_100011653902_200025704644 [0,1,0,1,0,0|2,0,0]=4 694 B14R2.51 [13CH3]N1CCNC(=O)C12CCCCC2 34a_100011653902_200025704644 [0,1,0,1,0,0|2,0,0]=4 695 B12R0.144 C#CCCNC(=O)NC(CC)CC 2708a_100000199018_100000755551 [0,0,1,0,0,1|1,0,1]=4 696 B12R0.144 C#CCCNC(=O)NC(CC)CC 2708a_100000755551_100000199018 [0,0,1,0,0,1|1,0,1]=4 697 B12R0.144 C#CCCNC(=O)NC(CC)CC 273464a_100000199018_100000755551 [0,0,1,0,0,1|1,0,1]=4 698 B12R0.144 C#CCCNC(=O)NC(CC)CC 273464a_100000755551_100000199018 [0,0,1,0,0,1|1,0,1]=4 699 B12R0.144 C#CCCNC(=O)NC(CC)CC 512a_100000199018_100000755551 [0,0,1,0,0,1|1,0,1]=4 700 B12R0.144 C#CCCNC(=O)NC(CC)CC 512a_100000755551_100000199018 [0,0,1,0,0,1|1,0,1]=4 701 B12R0.144 C=CCCCC(=O)CC(CC)CC 1458a_100000766728_100011215472 [0,0,1,0,0,1|2,0,0]=4 702 B12R0.144 C=CCCCC(=O)NC(CC)CC 11a_100000199018_100000766728 [0,0,1,0,0,1|2,0,0]=4 703 B12R0.144 C=CCCCC(=O)NC(CC)CC 1626a_100000199018_100000766728 [0,0,1,0,0,1|2,0,0]=4 704 B12R0.144 C=CCCCC(=O)NC(CC)CC 240690a_100000199018_100000766728 [0,0,1,0,0,1|2,0,0]=4 705 B12R0.144 C=CCCCC(=O)NC(CC)CC 527a_100000199018_100000766728 [0,0,1,0,0,1|2,0,0]=4 706 B12R0.144 C=CCCNC(=O)CN(CC)CC 11a_100015191253_100000758533 [0,0,1,0,0,1|2,0,0]=4 707 B12R0.144 C=CCCNC(=O)CN(CC)CC 1626a_100015191253_100000758533 [0,0,1,0,0,1|2,0,0]=4 708 B12R0.144 C=CCCNC(=O)CN(CC)CC 240690a_100015191253_100000758533 [0,0,1,0,0,1|2,0,0]=4 709 B12R0.144 C=CCCNC(=O)CN(CC)CC 527a_100015191253_100000758533 [0,0,1,0,0,1|2,0,0]=4 710 B12R0.144 C=CCCNC(=O)NC(CC)CC 2708a_100000199018_100015191253 [0,0,1,0,0,1|1,0,0]=3 711 B12R0.144 C=CCCNC(=O)NC(CC)CC 2708a_100015191253_100000199018 [0,0,1,0,0,1|1,0,0]=3 712 B12R0.144 C=CCCNC(=O)NC(CC)CC 273464a_100000199018_100015191253 [0,0,1,0,0,1|1,0,0]=3 713 B12R0.144 C=CCCNC(=O)NC(CC)CC 273464a_100015191253_100000199018 [0,0,1,0,0,1|1,0,0]=3 714 B12R0.144 C=CCCNC(=O)NC(CC)CC 512a_100000199018_100015191253 [0,0,1,0,0,1|1,0,0]=3 715 B12R0.144 C=CCCNC(=O)NC(CC)CC 512a_100015191253_100000199018 [0,0,1,0,0,1|1,0,0]=3 716 B12R0.144 C=CCCNC(=O)N[C@@H](CC)CO 2708a_100015191253_100000709445 [0,0,1,0,0,1|2,0,0]=4 717 B12R0.144 C=CCCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100015191253 [0,0,1,0,0,1|2,0,0]=4 718 B12R0.144 C=CCCNC(=O)N[C@@H](CC)CO 273464a_100015191253_100000709445 [0,0,1,0,0,1|2,0,0]=4 719 B12R0.144 C=CCCNC(=O)N[C@@H](CC)CO 512a_100000709445_100015191253 [0,0,1,0,0,1|2,0,0]=4 720 B12R0.144 C=CCCNC(=O)N[C@@H](CC)CO 512a_100015191253_100000709445 [0,0,1,0,0,1|2,0,0]=4 721 B12R0.144 C=CCNNC(=O)NC(CC)CC 273464a_100000199018_100020588587 [0,0,1,0,0,1|2,0,0]=4 722 B12R0.144 C=CCNNC(=O)NC(CC)CC 512a_100000199018_100020588587 [0,0,1,0,0,1|2,0,0]=4 723 B12R0.144 C=CCNNC(=O)NC(CC)CC 512a_100020588587_100000199018 [0,0,1,0,0,1|2,0,0]=4 724 B12R0.144 CCC(CC)NC(=O)NCCC#N 2708a_100000199018_100000720768 [0,0,1,0,0,1|1,0,1]=4 725 B12R0.144 CCC(CC)NC(=O)NCCC#N 2708a_100000720768_100000199018 [0,0,1,0,0,1|1,0,1]=4 726 B12R0.144 CCC(CC)NC(=O)NCCC#N 273464a_100000199018_100000720768 [0,0,1,0,0,1|1,0,1]=4 727 B12R0.144 CCC(CC)NC(=O)NCCC#N 273464a_100000720768_100000199018 [0,0,1,0,0,1|1,0,1]=4 728 B12R0.144 CCC(CC)NC(=O)NCCC#N 512a_100000199018_100000720768 [0,0,1,0,0,1|1,0,1]=4 729 B12R0.144 CCC(CC)NC(=O)NCCC#N 512a_100000720768_100000199018 [0,0,1,0,0,1|1,0,1]=4 730 B12R0.144 CCC(CC)NC(=O)NCCCF 2708a_100000199018_100015189416 [0,0,1,0,0,1|1,0,1]=4 731 B12R0.144 CCC(CC)NC(=O)NCCCF 2708a_100015189416_100000199018 [0,0,1,0,0,1|1,0,1]=4 732 B12R0.144 CCC(CC)NC(=O)NCCCF 273464a_100000199018_100015189416 [0,0,1,0,0,1|1,0,1]=4 733 B12R0.144 CCC(CC)NC(=O)NCCCF 273464a_100015189416_100000199018 [0,0,1,0,0,1|1,0,1]=4 734 B12R0.144 CCC(CC)NC(=O)NCCCF 512a_100000199018_100015189416 [0,0,1,0,0,1|1,0,1]=4 735 B12R0.144 CCC(CC)NC(=O)NCCCF 512a_100015189416_100000199018 [0,0,1,0,0,1|1,0,1]=4 736 B12R0.144 CCC(CC)NC(=O)NCCCO 2708a_100000199018_100000182051 [0,0,1,0,0,1|0,0,2]=4 737 B12R0.144 CCC(CC)NC(=O)NCCCO 273464a_100000182051_100000199018 [0,0,1,0,0,1|0,0,2]=4 738 B12R0.144 CCC(CC)NC(=O)NCCCO 273464a_100000199018_100000182051 [0,0,1,0,0,1|0,0,2]=4 739 B12R0.144 CCC(CC)NC(=O)NCCCO 512a_100000199018_100000182051 [0,0,1,0,0,1|0,0,2]=4 740 B12R0.144 CCC(CC)NC(=O)NCCOC 2708a_100000199018_100000209980 [0,0,1,0,0,1|2,0,0]=4 741 B12R0.144 CCC(CC)NC(=O)NCCOC 273464a_100000199018_100000209980 [0,0,1,0,0,1|2,0,0]=4 742 B12R0.144 CCC(CC)NC(=O)NCCOC 273464a_100000209980_100000199018 [0,0,1,0,0,1|2,0,0]=4 743 B12R0.144 CCC(CC)NC(=O)NCCSC 2708a_100000199018_100020590264 [0,0,1,0,0,1|2,0,0]=4 744 B12R0.144 CCC(CC)NC(=O)NCCSC 2708a_100020590264_100000199018 [0,0,1,0,0,1|2,0,0]=4 745 B12R0.144 CCC(CC)NC(=O)NCCSC 273464a_100000199018_100020590264 [0,0,1,0,0,1|2,0,0]=4 746 B12R0.144 CCC(CC)NC(=O)NCCSC 273464a_100020590264_100000199018 [0,0,1,0,0,1|2,0,0]=4 747 B12R0.144 CCC(CC)NC(=O)NCCSC 512a_100000199018_100020590264 [0,0,1,0,0,1|2,0,0]=4 748 B12R0.144 CCC(CC)NC(=O)NCCSC 512a_100020590264_100000199018 [0,0,1,0,0,1|2,0,0]=4 749 B12R0.144 CCCCNC(=O)NC(CC)CC 2708a_100000102301_100000199018 [0,0,1,0,0,1|1,0,1]=4 750 B12R0.144 CCCCNC(=O)NC(CC)CC 2708a_100000199018_100000102301 [0,0,1,0,0,1|1,0,1]=4 751 B12R0.144 CCCCNC(=O)NC(CC)CC 273464a_100000102301_100000199018 [0,0,1,0,0,1|1,0,1]=4 752 B12R0.144 CCCCNC(=O)NC(CC)CC 273464a_100000199018_100000102301 [0,0,1,0,0,1|1,0,1]=4 753 B12R0.144 CCCCNC(=O)NC(CC)CC 512a_100000102301_100000199018 [0,0,1,0,0,1|1,0,1]=4 754 B12R0.144 CCCCNC(=O)NC(CC)CC 512a_100000199018_100000102301 [0,0,1,0,0,1|1,0,1]=4 755 B12R0.366 C#CC(CC)(CC)NC(=O)NCC 273464a_100015525214_100102564785 [0,0,1,0,0,1|1,0,1]=4 756 B12R0.366 C#CC(CC)(CC)NC(=O)NCC 273464a_100102564785_100015525214 [0,0,1,0,0,1|1,0,1]=4 757 B12R0.366 C#CC(CC)(CC)NC(=O)NCC 512a_100015525214_100102564785 [0,0,1,0,0,1|1,0,1]=4 758 B12R0.366 C#CC(CC)(CC)NC(=O)NCC 512a_100102564785_100015525214 [0,0,1,0,0,1|1,0,1]=4 759 B12R0.366 CCNC(=O)NC(C#N)(CC)CC 273464a_100000746712_100015525214 [0,0,1,0,0,1|1,0,1]=4 760 B12R0.366 CCNC(=O)NC(C#N)(CC)CC 273464a_100015525214_100000746712 [0,0,1,0,0,1|1,0,1]=4 761 B12R0.366 CCNC(=O)NC(C#N)(CC)CC 512a_100000746712_100015525214 [0,0,1,0,0,1|1,0,1]=4 762 B12R0.366 CCNC(=O)NC(C#N)(CC)CC 512a_100015525214_100000746712 [0,0,1,0,0,1|1,0,1]=4 763 B12R0.366 CCNC(=O)NC(CC)(CC)CC 2708a_100015525214_100000760206 [0,0,1,0,0,1|1,0,1]=4 764 B12R0.366 CCNC(=O)NC(CC)(CC)CC 273464a_100000760206_100015525214 [0,0,1,0,0,1|1,0,1]=4 765 B12R0.366 CCNC(=O)NC(CC)(CC)CC 273464a_100015525214_100000760206 [0,0,1,0,0,1|1,0,1]=4 766 B12R0.366 CCNC(=O)NC(CC)(CC)CC 512a_100000760206_100015525214 [0,0,1,0,0,1|1,0,1]=4 767 B12R0.366 CCNC(=O)NC(CC)(CC)CC 512a_100015525214_100000760206 [0,0,1,0,0,1|1,0,1]=4