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[0,0,1,0,0,0|2,0,0]=3 23 B16R0.61 C=CCC(C)COCCCCCCCCCO 34a_100009832082_100009813782 [0,0,1,0,0,0|3,0,0]=4 24 B16R0.61 C=CCC(C)COCCCCCCCCCO 7a_100009832082_100009813782 [0,0,1,0,0,0|3,0,0]=4 25 B16R0.61 C=CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011093070 [0,0,1,0,0,0|0,0,2]=3 26 B16R0.61 C=CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011093070 [0,0,1,0,0,0|1,0,2]=4 27 B16R0.61 C=CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011093070 [0,0,1,0,0,0|1,0,2]=4 28 B16R0.61 C=CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011093070 [0,0,1,0,0,0|1,0,2]=4 29 B16R0.61 C=CCCCCCCCCCNC(=O)CCC 11a_100000081888_100000211992 [0,0,1,0,0,0|1,0,2]=4 30 B16R0.61 C=CCCCCCCCCCNC(=O)CCC 1626a_100000081888_100000211992 [0,0,1,0,0,0|1,0,2]=4 31 B16R0.61 C=CCCCCCCCCCNC(=O)CCC 240690a_100000081888_100000211992 [0,0,1,0,0,0|1,0,2]=4 32 B16R0.61 C=CCCCCCCCCCNC(=O)CCC 527a_100000081888_100000211992 [0,0,1,0,0,0|1,0,2]=4 33 B16R0.61 C=CCCCCCCCCOCC(=O)CCC 7a_100011215194_100000747444 [0,0,1,0,0,0|1,0,2]=4 34 B16R0.61 C=CCCCCCCCCSCC(=O)CCC 62a_100000747444_100011933949 [0,0,1,0,0,0|1,0,2]=4 35 B16R0.61 C=CCCCCCCCCSCC(=O)CCC 62a_100011933949_100000747444 [0,0,1,0,0,0|1,0,2]=4 36 B16R0.61 C=CCN(C)CCCCCCCCCCCC 2230a_100000225617_100011215052 [0,0,1,0,0,0|2,0,0]=3 37 B16R0.61 C=CCN(C)CCCCCCCCCCCC 2230a_100000227908_100000210623 [0,0,1,0,0,0|2,0,0]=3 38 B16R0.61 C=CCN(C)CCCCCCCCCCCC 269982a_100000225617_100000759014 [0,0,1,0,0,0|2,0,0]=3 39 B16R0.61 C=CCN(C)CCCCCCCCCCCC 269982a_100000227908_100000210623 [0,0,1,0,0,0|2,0,0]=3 40 B16R0.61 C=CCN(C)CCCCCCCCCCCC 270004a_100000225617_100011218549 [0,0,1,0,0,0|2,0,0]=3 41 B16R0.61 C=CCN(C)CCCCCCCCCCCO 2230a_100000225617_100009812471 [0,0,1,0,0,0|3,0,0]=4 42 B16R0.61 C=CCN(C)CCCCCCCCCCCO 269982a_100000225617_100009812471 [0,0,1,0,0,0|3,0,0]=4 43 B16R0.61 C=CC[C@@H](C)OCCCCCCCCCCC 34a_100000731007_100011215454 [0,0,1,0,0,0|2,0,0]=3 44 B16R0.61 C=CC[C@@H](C)OCCCCCCCCCCC 7a_100000731007_100011215454 [0,0,1,0,0,0|2,0,0]=3 45 B16R0.61 C=CC[C@@H](C)OCCCCCCCCCCO 34a_100000731007_100009813290 [0,0,1,0,0,0|3,0,0]=4 46 B16R0.61 C=CC[C@@H](C)OCCCCCCCCCCO 7a_100000731007_100009813290 [0,0,1,0,0,0|3,0,0]=4 47 B16R0.61 C=CC[C@@H](N)COCCCCCCCCCC 34a_100020615467_100000210320 [0,0,1,0,0,0|3,0,0]=4 48 B16R0.61 CC#CC(=O)CCCCCCCCCCCC 1458a_100000763181_100000759014 [0,0,1,0,0,0|0,0,2]=3 49 B16R0.61 CC#CC(=O)CCCCCCCCCCCO 1458a_100000763181_100009812471 [0,0,1,0,0,0|1,0,2]=4 50 B16R0.61 CC=CC(=O)CCCCCCCCCCCC 1458a_100000210699_100000759014 [0,0,1,0,0,0|0,0,2]=3 51 B16R0.61 CC=CC(=O)CCCCCCCCCCCO 1458a_100000210699_100009812471 [0,0,1,0,0,0|1,0,2]=4 52 B16R0.61 CC=CC(=O)NCCCCCCCCCCC 11a_200011215754_100000210699 [0,0,1,0,0,0|1,0,2]=4 53 B16R0.61 CC=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000210699 [0,0,1,0,0,0|1,0,2]=4 54 B16R0.61 CC=CC(=O)NCCCCCCCCCCC 240690a_200011215754_100000210699 [0,0,1,0,0,0|1,0,2]=4 55 B16R0.61 CCC#CCCCCCCSCC(=O)CCC 62a_100000747444_200000036426 [0,0,1,0,0,0|1,0,2]=4 56 B16R0.61 CCC#CCCCCCCSCC(=O)CCC 62a_200000036426_100000747444 [0,0,1,0,0,0|1,0,2]=4 57 B16R0.61 CCCC(=O)CCCCCCCCCCCO 1458a_100000211992_100009812471 [0,0,1,0,0,0|1,0,0]=2 58 B16R0.61 CCCC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747444 [0,0,1,0,0,0|2,0,0]=3 59 B16R0.61 CCCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747444 [0,0,1,0,0,0|2,0,0]=3 60 B16R0.61 CCCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747444 [0,0,1,0,0,0|2,0,0]=3 61 B16R0.61 CCCC(=O)CSCCCCCCCCCO 62a_100000747444_100009813782 [0,0,1,0,0,0|2,0,0]=3 62 B16R0.61 CCCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747444 [0,0,1,0,0,0|2,0,0]=3 63 B16R0.61 CCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000211992 [0,0,1,0,0,0|2,0,0]=3 64 B16R0.61 CCCC(=O)OCNCCCCCCCCO 2230a_102515433106_100000034017 [0,0,1,0,0,0|3,0,0]=4 65 B16R0.61 CCCC(=O)OCNCCCCCCCCO 34a_102515433106_100000034017 [0,0,1,0,0,0|3,0,0]=4 66 B16R0.61 CCCC(=O)OCOCCCCCCCCBr 34a_100009813846_100000034017 [0,0,1,0,0,0|3,0,0]=4 67 B16R0.61 CCCC(=O)OCOCCCCCCCCCl 34a_100000033203_100000034017 [0,0,1,0,0,0|3,0,0]=4 68 B16R0.61 CCCC(=O)OCOCCCCCCCCN 34a_102515433106_100000034017 [0,0,1,0,0,0|3,0,0]=4 69 B16R0.61 CCCC(=O)OCSCCCCCCCCO 62a_100000033203_100000034017 [0,0,1,0,0,0|3,0,0]=4 70 B16R0.61 CCCC/C=C/CCCCOCC(=O)CCC 7a_200020645093_100000747444 [0,0,1,0,0,0|1,0,2]=4 71 B16R0.61 CCCCC#CCCCCCCC(=O)CCC 1458a_100000211992_200000043322 [0,0,1,0,0,0|0,0,2]=3 72 B16R0.61 CCCCC#CCCCCCCC(=O)CCO 1458a_100011216618_200000043322 [0,0,1,0,0,0|1,0,2]=4 73 B16R0.61 CCCCC#CCCCCCCC(=O)COC 1458a_100000210968_200000043322 [0,0,1,0,0,0|1,0,2]=4 74 B16R0.61 CCCCC#CCCCCCCC(=O)CSC 1458a_100000184570_200000043322 [0,0,1,0,0,0|1,0,2]=4 75 B16R0.61 CCCCC#CCCCCOCC(=O)CCC 7a_200000066234_100000747444 [0,0,1,0,0,0|1,0,2]=4 76 B16R0.61 CCCCC/C=C\CCCOCC(=O)CCC 7a_100020655193_100000747444 [0,0,1,0,0,0|1,0,2]=4 77 B16R0.61 CCCCCCC#CCCOCC(=O)CCC 7a_200000033163_100000747444 [0,0,1,0,0,0|1,0,2]=4 78 B16R0.61 CCCCCCCC#CCOCC(=O)CCC 7a_200000061759_100000747444 [0,0,1,0,0,0|1,0,2]=4 79 B16R0.61 CCCCCCCCCC=NNC(=O)CCC 4a_100000189770_100000210895 [0,0,1,0,0,0|2,0,1]=4 80 B16R0.61 CCCCCCCCCCC=CC(=O)NCC 11a_100015525214_100015291182 [0,0,1,0,0,0|1,0,2]=4 81 B16R0.61 CCCCCCCCCCC=CC(=O)NCC 240690a_100015525214_100015291182 [0,0,1,0,0,0|1,0,2]=4 82 B16R0.61 CCCCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000759014 [0,0,1,0,0,0|1,0,2]=4 83 B16R0.61 CCCCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000759014 [0,0,1,0,0,0|1,0,2]=4 84 B16R0.61 CCCCCCCCCCCCC(=O)C=CI 1458a_100016256311_100000759014 [0,0,1,0,0,0|1,0,2]=4 85 B16R0.61 CCCCCCCCCCCCC(=O)CC#N 1458a_100011215791_100011214920 [0,0,1,0,0,0|1,0,1]=3 86 B16R0.61 CCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000759014 [0,0,1,0,0,0|1,0,1]=3 87 B16R0.61 CCCCCCCCCCCCC(=O)CCC 1458a_100000211992_100000759014 [0,0,1,0,0,0|0,0,0]=1 88 B16R0.61 CCCCCCCCCCCCC(=O)CCC 1458a_100011215791_100000210303 [0,0,1,0,0,0|0,0,0]=1 89 B16R0.61 CCCCCCCCCCCCC(=O)CCF 1458a_100011215791_100011217306 [0,0,1,0,0,0|1,0,0]=2 90 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011215791_100000211926 [0,0,1,0,0,0|1,0,0]=2 91 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000759014 [0,0,1,0,0,0|1,0,0]=2 92 B16R0.61 CCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000759014 [0,0,1,0,0,0|1,0,0]=2 93 B16R0.61 CCCCCCCCCCCCC(=O)CSC 1458a_100000184570_100000759014 [0,0,1,0,0,0|1,0,0]=2 94 B16R0.61 CCCCCCCCCCCCC(=O)NCC 11a_100015525214_100011215791 [0,0,1,0,0,0|1,0,0]=2 95 B16R0.61 CCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100011215791 [0,0,1,0,0,0|1,0,0]=2 96 B16R0.61 CCCCCCCCCCCCC(=O)NNC 22a_100016993582_100011215791 [0,0,1,0,0,0|2,0,0]=3 97 B16R0.61 CCCCCCCCCCCCC(C)COC 34a_100000724949_200000210301 [0,0,1,0,0,0|2,0,0]=3 98 B16R0.61 CCCCCCCCCCCCC(C)COC 7a_100000724949_200000210301 [0,0,1,0,0,0|2,0,0]=3 99 B16R0.61 CCCCCCCCCCCCC(C)CO[13CH3] 34a_100000724949_200025704644 [0,0,1,0,0,0|2,0,0]=3 100 B16R0.61 CCCCCCCCCCCCC(C)CO[13CH3] 7a_100000724949_200025704644 [0,0,1,0,0,0|2,0,0]=3 101 B16R0.61 CCCCCCCCCCCCC(C)NCC 2230a_100015525214_200011217028 [0,0,1,0,0,0|2,0,1]=4 102 B16R0.61 CCCCCCCCCCCCC(C)NCC 270004a_100015525214_100011219199 [0,0,1,0,0,0|2,0,1]=4 103 B16R0.61 CCCCCCCCCCCCC(C)OCC 34a_100121572206_200011217028 [0,0,1,0,0,0|2,0,1]=4 104 B16R0.61 CCCCCCCCCCCCC(C)OCC 34a_200011215752_100000210202 [0,0,1,0,0,0|2,0,1]=4 105 B16R0.61 CCCCCCCCCCCCC(C)OCC 7a_200011215752_100000210202 [0,0,1,0,0,0|2,0,1]=4 106 B16R0.61 CCCCCCCCCCCCC(C)OCF 34a_200011215752_100015361967 [0,0,1,0,0,0|2,0,1]=4 107 B16R0.61 CCCCCCCCCCCCC(C)OCF 7a_200011215752_100015361967 [0,0,1,0,0,0|2,0,1]=4 108 B16R0.61 CCCCCCCCCCCCN(C)CC#N 2230a_100000227908_100011215382 [0,0,1,0,0,0|2,0,1]=4 109 B16R0.61 CCCCCCCCCCCCN(C)CC#N 2230a_100000748184_100011215052 [0,0,1,0,0,0|2,0,1]=4 110 B16R0.61 CCCCCCCCCCCCN(C)CC#N 269982a_100000227908_100011214920 [0,0,1,0,0,0|2,0,1]=4 111 B16R0.61 CCCCCCCCCCCCN(C)CC=O 2230a_100000227908_200015260668 [0,0,1,0,0,0|1,0,0]=2 112 B16R0.61 CCCCCCCCCCCCN(C)CC=O 269982a_100000227908_200015260668 [0,0,1,0,0,0|1,0,0]=2 113 B16R0.61 CCCCCCCCCCCCN(C)CCC 2230a_100000227908_100000210303 [0,0,1,0,0,0|2,0,0]=3 114 B16R0.61 CCCCCCCCCCCCN(C)CCC 2230a_100000747261_100011215052 [0,0,1,0,0,0|2,0,0]=3 115 B16R0.61 CCCCCCCCCCCCN(C)CCC 269982a_100000227908_100000210303 [0,0,1,0,0,0|2,0,0]=3 116 B16R0.61 CCCCCCCCCCCCN(C)CCC 269982a_100000747261_100000759014 [0,0,1,0,0,0|2,0,0]=3 117 B16R0.61 CCCCCCCCCCCCN(C)CCC 270004a_100000747261_100011218549 [0,0,1,0,0,0|2,0,0]=3 118 B16R0.61 CCCCCCCCCCCCN(C)CCF 2230a_100000227908_100011217306 [0,0,1,0,0,0|2,0,1]=4 119 B16R0.61 CCCCCCCCCCCCN(C)CCF 269982a_100000227908_100011217306 [0,0,1,0,0,0|2,0,1]=4 120 B16R0.61 CCCCCCCCCCCCN(C)CCO 2230a_100000210263_100011215052 [0,0,1,0,0,0|1,0,2]=4 121 B16R0.61 CCCCCCCCCCCCN(C)CCO 2230a_100000227908_100000211926 [0,0,1,0,0,0|1,0,2]=4 122 B16R0.61 CCCCCCCCCCCCN(C)CCO 269982a_100000210263_100000759014 [0,0,1,0,0,0|1,0,2]=4 123 B16R0.61 CCCCCCCCCCCCN(C)CCO 269982a_100000227908_100000211926 [0,0,1,0,0,0|1,0,2]=4 124 B16R0.61 CCCCCCCCCCCCN(C)CCO 270004a_100000210263_100011218549 [0,0,1,0,0,0|1,0,2]=4 125 B16R0.61 CCCCCCCCCCCCN(C)COC 2230a_100000227908_100000766300 [0,0,1,0,0,0|3,0,0]=4 126 B16R0.61 CCCCCCCCCCCCN(C)COC 269982a_100000227908_100000766300 [0,0,1,0,0,0|3,0,0]=4 127 B16R0.61 CCCCCCCCCCCCN(C)CSC 2230a_100000227908_100011218213 [0,0,1,0,0,0|3,0,0]=4 128 B16R0.61 CCCCCCCCCCCCN(C)CSC 269982a_100000227908_100011218213 [0,0,1,0,0,0|3,0,0]=4 129 B16R0.61 CCCCCCCCCCCNC(=O)CC#N 1626a_200011215754_100051588842 [0,0,1,0,0,0|2,0,1]=4 130 B16R0.61 CCCCCCCCCCCNC(=O)CC#N 240690a_200011215754_100051588842 [0,0,1,0,0,0|2,0,1]=4 131 B16R0.61 CCCCCCCCCCCNC(=O)CCC 11a_200011215754_100000211992 [0,0,1,0,0,0|1,0,0]=2 132 B16R0.61 CCCCCCCCCCCNC(=O)CCC 1626a_200011215754_100000211992 [0,0,1,0,0,0|1,0,0]=2 133 B16R0.61 CCCCCCCCCCCNC(=O)CCC 240690a_200011215754_100000211992 [0,0,1,0,0,0|1,0,0]=2 134 B16R0.61 CCCCCCCCCCCNC(=O)CCC 527a_200011215754_100000211992 [0,0,1,0,0,0|1,0,0]=2 135 B16R0.61 CCCCCCCCCCCNC(=O)CCO 240690a_200011215754_100011216618 [0,0,1,0,0,0|2,0,0]=3 136 B16R0.61 CCCCCCCCCCCNC(=O)COC 11a_200011215754_100000210968 [0,0,1,0,0,0|2,0,0]=3 137 B16R0.61 CCCCCCCCCCCNC(=O)COC 1626a_200011215754_100000210968 [0,0,1,0,0,0|2,0,0]=3 138 B16R0.61 CCCCCCCCCCCNC(=O)COC 240690a_200011215754_100000210968 [0,0,1,0,0,0|2,0,0]=3 139 B16R0.61 CCCCCCCCCCCNC(=O)COC 527a_200011215754_100000210968 [0,0,1,0,0,0|2,0,0]=3 140 B16R0.61 CCCCCCCCCCCNC(=O)CSC 11a_200011215754_100000184570 [0,0,1,0,0,0|2,0,0]=3 141 B16R0.61 CCCCCCCCCCCNC(=O)CSC 1626a_200011215754_100000184570 [0,0,1,0,0,0|2,0,0]=3 142 B16R0.61 CCCCCCCCCCCNC(=O)CSC 240690a_200011215754_100000184570 [0,0,1,0,0,0|2,0,0]=3 143 B16R0.61 CCCCCCCCCCCNC(=O)CSC 527a_200011215754_100000184570 [0,0,1,0,0,0|2,0,0]=3 144 B16R0.61 CCCCCCCCCCCNC(=O)NCC 2708a_100015525214_200011215754 [0,0,1,0,0,0|2,0,0]=3 145 B16R0.61 CCCCCCCCCCCNC(=O)NCC 2708a_200011215754_100015525214 [0,0,1,0,0,0|2,0,0]=3 146 B16R0.61 CCCCCCCCCCCNC(=O)NCC 273464a_100015525214_200011215754 [0,0,1,0,0,0|2,0,0]=3 147 B16R0.61 CCCCCCCCCCCNC(=O)NCC 273464a_200011215754_100015525214 [0,0,1,0,0,0|2,0,0]=3 148 B16R0.61 CCCCCCCCCCCNC(=O)NCC 512a_100015525214_200011215754 [0,0,1,0,0,0|2,0,0]=3 149 B16R0.61 CCCCCCCCCCCNC(=O)NCC 512a_200011215754_100015525214 [0,0,1,0,0,0|2,0,0]=3 150 B16R0.61 CCCCCCCCCCCNC(=O)NNC 273464a_200011215754_100016993582 [0,0,1,0,0,0|3,0,0]=4 151 B16R0.61 CCCCCCCCCCCNC(=O)NNC 512a_100016993582_200011215754 [0,0,1,0,0,0|3,0,0]=4 152 B16R0.61 CCCCCCCCCCCNC(=O)NNC 512a_200011215754_100016993582 [0,0,1,0,0,0|3,0,0]=4 153 B16R0.61 CCCCCCCCCCCNC(C)CC#N 2230a_200011215754_100009813641 [0,0,1,0,0,0|2,0,1]=4 154 B16R0.61 CCCCCCCCCCCNC(C)CCC 2230a_100000741246_100011215454 [0,0,1,0,0,0|2,0,1]=4 155 B16R0.61 CCCCCCCCCCCNC(C)CCC 2230a_200011215754_100000766640 [0,0,1,0,0,0|2,0,1]=4 156 B16R0.61 CCCCCCCCCCCNC(C)CCC 270004a_200011215754_100000211909 [0,0,1,0,0,0|2,0,1]=4 157 B16R0.61 CCCCCCCCCCCNC(C)CCC 34a_200011215754_100000766640 [0,0,1,0,0,0|2,0,1]=4 158 B16R0.61 CCCCCCCCCCCNC(C)CCO 2230a_200011215754_100009893172 [0,0,1,0,0,0|1,0,2]=4 159 B16R0.61 CCCCCCCCCCCNC(C)CCO 34a_200011215754_100009893172 [0,0,1,0,0,0|1,0,2]=4 160 B16R0.61 CCCCCCCCCCCNC(C)COC 2230a_200011215754_100000765312 [0,0,1,0,0,0|3,0,0]=4 161 B16R0.61 CCCCCCCCCCCNC(C)COC 270004a_200011215754_100000749346 [0,0,1,0,0,0|3,0,0]=4 162 B16R0.61 CCCCCCCCCCCNC(C)COC 34a_200011215754_100000765312 [0,0,1,0,0,0|3,0,0]=4 163 B16R0.61 CCCCCCCCCCCNC(C)CSC 270004a_200011215754_100011216314 [0,0,1,0,0,0|3,0,0]=4 164 B16R0.61 CCCCCCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100011215454 [0,0,1,0,0,0|2,0,1]=4 165 B16R0.61 CCCCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011215454 [0,0,1,0,0,0|1,0,2]=4 166 B16R0.61 CCCCCCCCCCCN[C@H](C)CCO 34a_100000706166_100011215454 [0,0,1,0,0,0|1,0,2]=4 167 B16R0.61 CCCCCCCCCCCN[C@H](C)COC 2230a_100000764878_100011215454 [0,0,1,0,0,0|3,0,0]=4 168 B16R0.61 CCCCCCCCCCCOC(C)CC#N 7a_100000210809_100009813641 [0,0,1,0,0,0|2,0,1]=4 169 B16R0.61 CCCCCCCCCCCOC(C)CCBr 34a_100012276601_100011215454 [0,0,1,0,0,0|2,0,1]=4 170 B16R0.61 CCCCCCCCCCCOC(C)CCC 34a_100000210809_100000766640 [0,0,1,0,0,0|2,0,1]=4 171 B16R0.61 CCCCCCCCCCCOC(C)CCC 34a_100000764384_100011215454 [0,0,1,0,0,0|2,0,1]=4 172 B16R0.61 CCCCCCCCCCCOC(C)CCC 7a_100000210809_100000766640 [0,0,1,0,0,0|2,0,1]=4 173 B16R0.61 CCCCCCCCCCCOC(C)CCC 7a_100000764384_100011215454 [0,0,1,0,0,0|2,0,1]=4 174 B16R0.61 CCCCCCCCCCCOC(C)CCO 34a_100000210809_100009893172 [0,0,1,0,0,0|1,0,2]=4 175 B16R0.61 CCCCCCCCCCCOC(C)CCO 7a_100000210809_100009893172 [0,0,1,0,0,0|1,0,2]=4 176 B16R0.61 CCCCCCCCCCCOC(C)COC 34a_100000210809_100000765312 [0,0,1,0,0,0|3,0,0]=4 177 B16R0.61 CCCCCCCCCCCOC(C)COC 7a_100000210809_100000765312 [0,0,1,0,0,0|3,0,0]=4 178 B16R0.61 CCCCCCCCCCCO[C@H](C)COC 34a_100011934205_100011215454 [0,0,1,0,0,0|3,0,0]=4 179 B16R0.61 CCCCCCCCCCCSC(C)CC#N 62a_100009813641_100011215454 [0,0,1,0,0,0|2,0,1]=4 180 B16R0.61 CCCCCCCCCCCSC(C)CCO 62a_100009893172_100011215454 [0,0,1,0,0,0|1,0,2]=4 181 B16R0.61 CCCCCCCCCCCSC(C)COC 62a_100000765312_100011215454 [0,0,1,0,0,0|3,0,0]=4 182 B16R0.61 CCCCCCCCCCNCC(=O)CCC 2230a_100000684558_100000747444 [0,0,1,0,0,0|1,0,0]=2 183 B16R0.61 CCCCCCCCCCNCC(=O)NCC 2230a_100000684558_100000183381 [0,0,1,0,0,0|2,0,0]=3 184 B16R0.61 CCCCCCCCCCNCC(=O)NCC 2230a_100016988866_100000210320 [0,0,1,0,0,0|2,0,0]=3 185 B16R0.61 CCCCCCCCCCNCC(=O)NCC 34a_100000684558_100000183381 [0,0,1,0,0,0|2,0,0]=3 186 B16R0.61 CCCCCCCCCCNCC(=O)NCO 2230a_100000684558_100000185155 [0,0,1,0,0,0|3,0,0]=4 187 B16R0.61 CCCCCCCCCCNCC(=O)NCO 34a_100000684558_100000185155 [0,0,1,0,0,0|3,0,0]=4 188 B16R0.61 CCCCCCCCCCNCC(=O)OCC 2230a_100000684558_100000188475 [0,0,1,0,0,0|2,0,0]=3 189 B16R0.61 CCCCCCCCCCNCC(=O)OCC 34a_100000684558_100000188475 [0,0,1,0,0,0|2,0,0]=3 190 B16R0.61 CCCCCCCCCCNCC(C)CCC 2230a_100000684558_100011216630 [0,0,1,0,0,0|2,0,1]=4 191 B16R0.61 CCCCCCCCCCNCC(C)CCC 270004a_100000684558_100000243154 [0,0,1,0,0,0|2,0,1]=4 192 B16R0.61 CCCCCCCCCCNCC(C)CCC 34a_100000684558_100011216630 [0,0,1,0,0,0|2,0,1]=4 193 B16R0.61 CCCCCCCCCCOCC(=O)CCC 7a_100000210711_100000747444 [0,0,1,0,0,0|1,0,0]=2 194 B16R0.61 CCCCCCCCCCOCC(=O)NCC 34a_100000210711_100000183381 [0,0,1,0,0,0|2,0,0]=3 195 B16R0.61 CCCCCCCCCCOCC(=O)NCC 7a_100000210711_100000183381 [0,0,1,0,0,0|2,0,0]=3 196 B16R0.61 CCCCCCCCCCOCC(=O)NCO 34a_100000210711_100000185155 [0,0,1,0,0,0|3,0,0]=4 197 B16R0.61 CCCCCCCCCCOCC(=O)NCO 7a_100000210711_100000185155 [0,0,1,0,0,0|3,0,0]=4 198 B16R0.61 CCCCCCCCCCOCC(=O)OCC 34a_100000210711_100000188475 [0,0,1,0,0,0|2,0,0]=3 199 B16R0.61 CCCCCCCCCCOCC(=O)OCC 7a_100000210711_100000188475 [0,0,1,0,0,0|2,0,0]=3 200 B16R0.61 CCCCCCCCCCOCC(C)CCC 34a_100000210711_100011216630 [0,0,1,0,0,0|2,0,1]=4 201 B16R0.61 CCCCCCCCCCOCC(C)CCC 34a_100000688023_100000210320 [0,0,1,0,0,0|2,0,1]=4 202 B16R0.61 CCCCCCCCCCOCC(C)CCC 7a_100000210711_100011216630 [0,0,1,0,0,0|2,0,1]=4 203 B16R0.61 CCCCCCCCCCOCC(C)CCC 7a_100000688023_100000210320 [0,0,1,0,0,0|2,0,1]=4 204 B16R0.61 CCCCCCCCCCOCC(C)CCN 34a_106354213184_100000210320 [0,0,1,0,0,0|2,0,1]=4 205 B16R0.61 CCCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210320 [0,0,1,0,0,0|2,0,1]=4 206 B16R0.61 CCCCCCCCCCSCC(=O)CCC 62a_100000747444_100000210320 [0,0,1,0,0,0|1,0,0]=2 207 B16R0.61 CCCCCCCCCCSCC(=O)NCC 62a_100000183381_100000210320 [0,0,1,0,0,0|2,0,0]=3 208 B16R0.61 CCCCCCCCCCSCC(=O)NCO 62a_100000185155_100000210320 [0,0,1,0,0,0|3,0,0]=4 209 B16R0.61 CCCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210320 [0,0,1,0,0,0|2,0,0]=3 210 B16R0.61 CCCCCCCCCNCCC(=O)NCC 2230a_100000212291_100000737597 [0,0,1,0,0,0|2,0,0]=3 211 B16R0.61 CCCCCCCCCNCCC(=O)NCC 34a_100025743525_100011214924 [0,0,1,0,0,0|2,0,0]=3 212 B16R0.61 CCCCCCCCCNCCC(=O)OCC 2230a_100000212291_100011206558 [0,0,1,0,0,0|2,0,0]=3 213 B16R0.61 CCCCCCCCCNCCC(=O)OCC 34a_100000212291_100000765890 [0,0,1,0,0,0|2,0,0]=3 214 B16R0.61 CCCCCCCCCNCOC(=O)CCC 2230a_100000212291_100000034017 [0,0,1,0,0,0|2,0,0]=3 215 B16R0.61 CCCCCCCCCNCOC(=O)CCC 34a_100000212291_100000034017 [0,0,1,0,0,0|2,0,0]=3 216 B16R0.61 CCCCCCCCCOCCC(=O)NCC 7a_100000210712_100000737597 [0,0,1,0,0,0|2,0,0]=3 217 B16R0.61 CCCCCCCCCOCCC(=O)OCC 34a_100000210712_100000765890 [0,0,1,0,0,0|2,0,0]=3 218 B16R0.61 CCCCCCCCCOCCC(=O)OCC 7a_100000210712_100011206558 [0,0,1,0,0,0|2,0,0]=3 219 B16R0.61 CCCCCCCCCOCCC(C)CCC 34a_100011217855_100011214924 [0,0,1,0,0,0|2,0,1]=4 220 B16R0.61 CCCCCCCCCOCCC(C)CCC 7a_100011217855_100000210328 [0,0,1,0,0,0|2,0,1]=4 221 B16R0.61 CCCCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100011214924 [0,0,1,0,0,0|2,0,1]=4 222 B16R0.61 CCCCCCCCCOCOC(=O)CCC 34a_100000210712_100000034017 [0,0,1,0,0,0|2,0,0]=3 223 B16R0.61 CCCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210670 [0,0,1,0,0,0|2,0,0]=3 224 B16R0.61 CCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210670 [0,0,1,0,0,0|2,0,0]=3 225 B16R0.61 CCCCCCCCNCCCC(=O)OCC 2230a_100000229939_100009991533 [0,0,1,0,0,0|2,0,0]=3 226 B16R0.61 CCCCCCCCNCCCC(=O)OCC 34a_100000229939_100009991533 [0,0,1,0,0,0|2,0,0]=3 227 B16R0.61 CCCCCCCCOCCCC(=O)OCC 34a_100000210232_100009991533 [0,0,1,0,0,0|2,0,0]=3 228 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100000210232_100011215271 [0,0,1,0,0,0|2,0,0]=3 229 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210759 [0,0,1,0,0,0|2,0,0]=3 230 B16R0.61 CCCCCCCCOCCCC(C)CCC 34a_100011713154_100000210759 [0,0,1,0,0,0|2,0,1]=4 231 B16R0.61 CCCCCCCCOCCCC(C)CCC 7a_100011713154_100000210759 [0,0,1,0,0,0|2,0,1]=4 232 B16R0.61 CCCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210759 [0,0,1,0,0,0|3,0,0]=4 233 B16R0.61 CCCCCCCCOCCNC(=O)OCC 7a_100000210232_200011445536 [0,0,1,0,0,0|3,0,0]=4 234 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100000210759_100009991533 [0,0,1,0,0,0|2,0,0]=3 235 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210317 [0,0,1,0,0,0|2,0,0]=3 236 B16R0.61 CCCCCCCCSCCNC(=O)OCC 62a_100000210759_200011445536 [0,0,1,0,0,0|3,0,0]=4 237 B16R0.61 CCCCCCCNCCCCC(=O)OCC 2230a_100000229938_100000750268 [0,0,1,0,0,0|2,0,0]=3 238 B16R0.61 CCCCCCCNCCOCC(=O)OCC 2230a_100000229938_100000088970 [0,0,1,0,0,0|3,0,0]=4 239 B16R0.61 CCCCCCCOCCCCC(=O)OCC 34a_100000210272_100000750268 [0,0,1,0,0,0|2,0,0]=3 240 B16R0.61 CCCCCCCOCCCCC(=O)OCC 7a_100000210272_100000750268 [0,0,1,0,0,0|2,0,0]=3 241 B16R0.61 CCCCCCCOCCOCC(=O)OCC 34a_100000210272_100000088970 [0,0,1,0,0,0|3,0,0]=4 242 B16R0.61 CCCCCCCOCCOCC(=O)OCC 7a_100000210272_100000088970 [0,0,1,0,0,0|3,0,0]=4 243 B16R0.61 CCCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210614 [0,0,1,0,0,0|3,0,0]=4 244 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000210614_100000750268 [0,0,1,0,0,0|2,0,0]=3 245 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210316 [0,0,1,0,0,0|2,0,0]=3 246 B16R0.61 CCCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210316 [0,0,1,0,0,0|3,0,0]=4 247 B16R0.61 CCCCCCCSCCOCC(=O)OCC 62a_100000210614_100000088970 [0,0,1,0,0,0|3,0,0]=4 248 B16R0.61 CCCCCCNCCCCCC(=O)OCC 2230a_100000210581_100000755133 [0,0,1,0,0,0|2,0,0]=3 249 B16R0.61 CCCCCCNCCCOCC(=O)OCC 2230a_100000210581_100009893628 [0,0,1,0,0,0|3,0,0]=4 250 B16R0.61 CCCCCCOCCCCCC(=O)OCC 34a_100000210259_100000755133 [0,0,1,0,0,0|2,0,0]=3 251 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100000210259_100000755133 [0,0,1,0,0,0|2,0,0]=3 252 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210314 [0,0,1,0,0,0|2,0,0]=3 253 B16R0.61 CCCCCCOCCCOCC(=O)OCC 34a_100000210259_100009893628 [0,0,1,0,0,0|3,0,0]=4 254 B16R0.61 CCCCCCOCCCOCC(=O)OCC 7a_100000210259_100009893628 [0,0,1,0,0,0|3,0,0]=4 255 B16R0.61 CCCCCCOCCOCCC(=O)NCC 7a_100000691444_100000737597 [0,0,1,0,0,0|3,0,0]=4 256 B16R0.61 CCCCCCOCCOCCC(=O)OCC 34a_100000691444_100000765890 [0,0,1,0,0,0|3,0,0]=4 257 B16R0.61 CCCCCCOCCOCCC(=O)OCC 7a_100000691444_100011206558 [0,0,1,0,0,0|3,0,0]=4 258 B16R0.61 CCCCCCOCCOCOC(=O)CCC 34a_100000691444_100000034017 [0,0,1,0,0,0|3,0,0]=4 259 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000210314_100000755133 [0,0,1,0,0,0|2,0,0]=3 260 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210757 [0,0,1,0,0,0|2,0,0]=3 261 B16R0.61 CCCCCCSCCCOCC(=O)OCC 62a_100000210314_100009893628 [0,0,1,0,0,0|3,0,0]=4 262 B16R0.61 CCCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210757 [0,0,1,0,0,0|3,0,0]=4 263 B16R0.61 CCCCCNCCCCCCC(=O)OCC 2230a_100000209983_100009814379 [0,0,1,0,0,0|2,0,0]=3 264 B16R0.61 CCCCCNCCOCCCC(=O)OCC 34a_100000224656_100009991533 [0,0,1,0,0,0|3,0,0]=4 265 B16R0.61 CCCCCOCCCCCCC(=O)OCC 34a_100000210253_100009814379 [0,0,1,0,0,0|2,0,0]=3 266 B16R0.61 CCCCCOCCCCCCC(=O)OCC 7a_100000210253_100009814379 [0,0,1,0,0,0|2,0,0]=3 267 B16R0.61 CCCCCOCCOCCCC(=O)OCC 34a_100011215259_100009991533 [0,0,1,0,0,0|3,0,0]=4 268 B16R0.61 CCCCCOCCOCCCC(=O)OCC 7a_100011215259_100011215271 [0,0,1,0,0,0|3,0,0]=4 269 B16R0.61 CCCCCSCCCCCCC(=O)OCC 62a_100000210326_100009814379 [0,0,1,0,0,0|2,0,0]=3 270 B16R0.61 CCCCNCCCCCCCC(=O)OCC 2230a_100000102301_100009991516 [0,0,1,0,0,0|2,0,0]=3 271 B16R0.61 CCCCNCCCCCCCC(=O)OCC 7a_106832991798_100009991516 [0,0,1,0,0,0|2,0,0]=3 272 B16R0.61 CCCCNCCCCOCCC(=O)OCC 34a_200011216965_100000765890 [0,0,1,0,0,0|3,0,0]=4 273 B16R0.61 CCCCNCCCCOCOC(=O)CCC 34a_200011216965_100000034017 [0,0,1,0,0,0|3,0,0]=4 274 B16R0.61 CCCCOCCCCCCCC(=O)OCC 34a_100000210227_100009991516 [0,0,1,0,0,0|2,0,0]=3 275 B16R0.61 CCCCOCCCCCCCC(=O)OCC 7a_100000210227_100009991516 [0,0,1,0,0,0|2,0,0]=3 276 B16R0.61 CCCCOCCCCOCCC(=O)NCC 7a_200000760531_100000737597 [0,0,1,0,0,0|3,0,0]=4 277 B16R0.61 CCCCOCCCCOCCC(=O)OCC 34a_200000760531_100000765890 [0,0,1,0,0,0|3,0,0]=4 278 B16R0.61 CCCCOCCCCOCCC(=O)OCC 7a_200000760531_100011206558 [0,0,1,0,0,0|3,0,0]=4 279 B16R0.61 CCCCOCCCCOCOC(=O)CCC 34a_200000760531_100000034017 [0,0,1,0,0,0|3,0,0]=4 280 B16R0.61 CCCCOCCCNCCCC(=O)OCC 2230a_200000211371_100009991533 [0,0,1,0,0,0|3,0,0]=4 281 B16R0.61 CCCCOCCCNCCCC(=O)OCC 34a_200000211371_100009991533 [0,0,1,0,0,0|3,0,0]=4 282 B16R0.61 CCCCOCCCOCCCC(=O)OCC 34a_200011215613_100009991533 [0,0,1,0,0,0|3,0,0]=4 283 B16R0.61 CCCCOCCCOCCCC(=O)OCC 7a_200011215613_100011215271 [0,0,1,0,0,0|3,0,0]=4 284 B16R0.61 CCCCOCCOCCCCC(=O)OCC 34a_100000210238_100000750268 [0,0,1,0,0,0|3,0,0]=4 285 B16R0.61 CCCCOCCOCCCCC(=O)OCC 7a_100000210238_100000750268 [0,0,1,0,0,0|3,0,0]=4 286 B16R0.61 CCCCOCCOCCOCC(=O)CCC 7a_100011215186_100000747444 [0,0,1,0,0,0|3,0,0]=4 287 B16R0.61 CCCCOCCSCCCCC(=O)OCC 62a_100000743108_100000750268 [0,0,1,0,0,0|3,0,0]=4 288 B16R0.61 CCCCOCCSCCCCC(=O)OCC 62a_100000750268_100000743108 [0,0,1,0,0,0|3,0,0]=4 289 B16R0.61 CCCCOCSCCCCCC(=O)OCC 62a_100000755133_100011995733 [0,0,1,0,0,0|3,0,0]=4 290 B16R0.61 CCCCOCSCCCCCC(=O)OCC 62a_100011995733_100000755133 [0,0,1,0,0,0|3,0,0]=4 291 B16R0.61 CCCCSCCCCCCCC(=O)OCC 62a_100000210211_100009991516 [0,0,1,0,0,0|2,0,0]=3 292 B16R0.61 CCCCSCCNCCCCC(=O)OCC 2230a_100025743550_100000750268 [0,0,1,0,0,0|3,0,0]=4 293 B16R0.61 CCCCSCCOCCCCC(=O)OCC 34a_200000230436_100000750268 [0,0,1,0,0,0|3,0,0]=4 294 B16R0.61 CCCCSCCOCCCCC(=O)OCC 7a_200000230436_100000750268 [0,0,1,0,0,0|3,0,0]=4 295 B16R0.61 CCCN(C)CCCCCCCCCCCO 2230a_100000747261_100009812471 [0,0,1,0,0,0|3,0,0]=4 296 B16R0.61 CCCN(C)CCCCCCCCCCCO 269982a_100000747261_100009812471 [0,0,1,0,0,0|3,0,0]=4 297 B16R0.61 CCCOCCCCCCCCC(=O)OCC 34a_100000210258_100010175975 [0,0,1,0,0,0|2,0,0]=3 298 B16R0.61 CCCOCCCNCCCCC(=O)OCC 2230a_100011217757_100000750268 [0,0,1,0,0,0|3,0,0]=4 299 B16R0.61 CCCOCCCNCCCCC(=O)OCC 34a_100011217757_100000750268 [0,0,1,0,0,0|3,0,0]=4 300 B16R0.61 CCCOCCNCCCCCC(=O)OCC 2230a_100161115042_100000755133 [0,0,1,0,0,0|3,0,0]=4 301 B16R0.61 CCCOCCNCCCCCC(=O)OCC 34a_100161115042_100000755133 [0,0,1,0,0,0|3,0,0]=4 302 B16R0.61 CCCOCCOCCCCCC(=O)OCC 34a_100000752267_100000755133 [0,0,1,0,0,0|3,0,0]=4 303 B16R0.61 CCCOCCOCCCCCC(=O)OCC 7a_100000752267_100000755133 [0,0,1,0,0,0|3,0,0]=4 304 B16R0.61 CCCOCCOCCCCCC(=O)OCC 7a_100011214988_100011215938 [0,0,1,0,0,0|3,0,0]=4 305 B16R0.61 CCCOCCSCCCCCC(=O)OCC 62a_100000755133_100011215938 [0,0,1,0,0,0|3,0,0]=4 306 B16R0.61 CCCOCCSCCCCCC(=O)OCC 62a_100011215938_100000755133 [0,0,1,0,0,0|3,0,0]=4 307 B16R0.61 CCCSCCCCCCCCC(=O)OCC 62a_100000210303_100010175975 [0,0,1,0,0,0|2,0,0]=3 308 B16R0.61 CCCSCCNCCCCCC(=O)OCC 2230a_100020603323_100000755133 [0,0,1,0,0,0|3,0,0]=4 309 B16R0.61 CCCSCCOCCCCCC(=O)OCC 34a_200000230433_100000755133 [0,0,1,0,0,0|3,0,0]=4 310 B16R0.61 CCCSCCOCCCCCC(=O)OCC 7a_200000230433_100000755133 [0,0,1,0,0,0|3,0,0]=4 311 B16R0.61 CCNC(=O)CCCCCCCCCCCO 240690a_100015525214_100000037981 [0,0,1,0,0,0|2,0,0]=3 312 B16R0.61 CCNC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737597 [0,0,1,0,0,0|3,0,0]=4 313 B16R0.61 CCNC(=O)CCNCCCCCCCCO 34a_100025743525_100000033203 [0,0,1,0,0,0|3,0,0]=4 314 B16R0.61 CCNC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737597 [0,0,1,0,0,0|3,0,0]=4 315 B16R0.61 CCNC(=O)CCOCCCCCCCCCl 7a_100000033203_100000737597 [0,0,1,0,0,0|3,0,0]=4 316 B16R0.61 CCNC(=O)CCSCCCCCCCCO 62a_100000033203_100000737597 [0,0,1,0,0,0|3,0,0]=4 317 B16R0.61 CCNC(=O)CCSCCCCCCCCO 62a_100000737597_100000033203 [0,0,1,0,0,0|3,0,0]=4 318 B16R0.61 CCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183381 [0,0,1,0,0,0|3,0,0]=4 319 B16R0.61 CCNC(=O)CNCCCCCCCCCO 2230a_100016988866_100009813782 [0,0,1,0,0,0|3,0,0]=4 320 B16R0.61 CCNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183381 [0,0,1,0,0,0|3,0,0]=4 321 B16R0.61 CCNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183381 [0,0,1,0,0,0|3,0,0]=4 322 B16R0.61 CCNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183381 [0,0,1,0,0,0|3,0,0]=4 323 B16R0.61 CCNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183381 [0,0,1,0,0,0|3,0,0]=4 324 B16R0.61 CCNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183381 [0,0,1,0,0,0|3,0,0]=4 325 B16R0.61 CCNC(=O)COCCCCCCCCCN 34a_100000078944_100000183381 [0,0,1,0,0,0|3,0,0]=4 326 B16R0.61 CCNC(=O)CSCCCCCCCCCO 62a_100000183381_100009813782 [0,0,1,0,0,0|3,0,0]=4 327 B16R0.61 CCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183381 [0,0,1,0,0,0|3,0,0]=4 328 B16R0.61 CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100015525214 [0,0,1,0,0,0|3,0,0]=4 329 B16R0.61 CCNC(=O)NCCCCCCCCCCO 2708a_100015525214_100000066964 [0,0,1,0,0,0|3,0,0]=4 330 B16R0.61 CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100015525214 [0,0,1,0,0,0|3,0,0]=4 331 B16R0.61 CCNC(=O)NCCCCCCCCCCO 273464a_100015525214_100000066964 [0,0,1,0,0,0|3,0,0]=4 332 B16R0.61 CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100015525214 [0,0,1,0,0,0|3,0,0]=4 333 B16R0.61 CCNC(=O)NCCCCCCCCCCO 512a_100015525214_100000066964 [0,0,1,0,0,0|3,0,0]=4 334 B16R0.61 CCNCCCCCCCCCC(=O)OCC 2230a_100015525214_100009828014 [0,0,1,0,0,0|2,0,0]=3 335 B16R0.61 CCOC(=O)CCCCCCCCCCNC 2230a_106832991635_100009827693 [0,0,1,0,0,0|2,0,0]=3 336 B16R0.61 CCOC(=O)CCCCCCCCCCNC 34a_100102657272_100009827693 [0,0,1,0,0,0|2,0,0]=3 337 B16R0.61 CCOC(=O)CCCCCCCCCCNC 7a_106832991635_100009827693 [0,0,1,0,0,0|2,0,0]=3 338 B16R0.61 CCOC(=O)CCCCCCCCCCOC 34a_100138415774_100009827693 [0,0,1,0,0,0|2,0,0]=3 339 B16R0.61 CCOC(=O)CCCCCCCCCCSC 62a_200000210301_100009827693 [0,0,1,0,0,0|2,0,0]=3 340 B16R0.61 CCOC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009827693 [0,0,1,0,0,0|2,0,0]=3 341 B16R0.61 CCOC(=O)CCCCCCCCCSCC 62a_100000210202_100009828014 [0,0,1,0,0,0|2,0,0]=3 342 B16R0.61 CCOC(=O)CCCCCCCCCSCF 62a_100015361967_100009828014 [0,0,1,0,0,0|3,0,0]=4 343 B16R0.61 CCOC(=O)CCCCCCCCNCCF 34a_100000724931_100010175975 [0,0,1,0,0,0|3,0,0]=4 344 B16R0.61 CCOC(=O)CCCCCCCCNCCO 2230a_100016997473_100010175975 [0,0,1,0,0,0|3,0,0]=4 345 B16R0.61 CCOC(=O)CCCCCCCCNCCO 34a_100016990907_100010175975 [0,0,1,0,0,0|3,0,0]=4 346 B16R0.61 CCOC(=O)CCCCCCCCOCCBr 34a_100000211926_100010175975 [0,0,1,0,0,0|3,0,0]=4 347 B16R0.61 CCOC(=O)CCCCCCCCOCCN 34a_100000210304_100010175975 [0,0,1,0,0,0|3,0,0]=4 348 B16R0.61 CCOC(=O)CCCCCCCCSCCF 62a_100011217306_100010175975 [0,0,1,0,0,0|3,0,0]=4 349 B16R0.61 CCOC(=O)CCCCCCCCSCCO 62a_100000211926_100010175975 [0,0,1,0,0,0|3,0,0]=4 350 B16R0.61 CCOC(=O)CCCCCCCCSCOC 62a_100000766300_100010175975 [0,0,1,0,0,0|3,0,0]=4 351 B16R0.61 CCOC(=O)CCCCCCCCSCSC 62a_100011218213_100010175975 [0,0,1,0,0,0|3,0,0]=4 352 B16R0.61 CCOC(=O)CCCCCCCNCCCF 2230a_100015189416_100009991516 [0,0,1,0,0,0|3,0,0]=4 353 B16R0.61 CCOC(=O)CCCCCCCNCCCF 34a_100015189416_100009991516 [0,0,1,0,0,0|3,0,0]=4 354 B16R0.61 CCOC(=O)CCCCCCCNCCOC 2230a_100000209980_100009991516 [0,0,1,0,0,0|3,0,0]=4 355 B16R0.61 CCOC(=O)CCCCCCCNCCSC 2230a_100020590264_100009991516 [0,0,1,0,0,0|3,0,0]=4 356 B16R0.61 CCOC(=O)CCCCCCCOCCCBr 34a_100011217188_100009991516 [0,0,1,0,0,0|3,0,0]=4 357 B16R0.61 CCOC(=O)CCCCCCCOCCCCl 34a_100000230001_100009991516 [0,0,1,0,0,0|3,0,0]=4 358 B16R0.61 CCOC(=O)CCCCCCCOCCCF 34a_100000759539_100009991516 [0,0,1,0,0,0|3,0,0]=4 359 B16R0.61 CCOC(=O)CCCCCCCOCCCN 34a_100000182051_100009991516 [0,0,1,0,0,0|3,0,0]=4 360 B16R0.61 CCOC(=O)CCCCCCCOCCOC 34a_100000210237_100009991516 [0,0,1,0,0,0|3,0,0]=4 361 B16R0.61 CCOC(=O)CCCCCCCOCCSC 34a_100000230434_100009991516 [0,0,1,0,0,0|3,0,0]=4 362 B16R0.61 CCOC(=O)CCCCCCCOCCSC 7a_100000230434_100009991516 [0,0,1,0,0,0|3,0,0]=4 363 B16R0.61 CCOC(=O)CCCCCCCSCCCF 62a_100011934791_100009991516 [0,0,1,0,0,0|3,0,0]=4 364 B16R0.61 CCOC(=O)CCCCCCCSCCCO 62a_100011215043_100009991516 [0,0,1,0,0,0|3,0,0]=4 365 B16R0.61 CCOC(=O)CCCCCCCSCCOC 62a_100000233755_100009991516 [0,0,1,0,0,0|3,0,0]=4 366 B16R0.61 CCOC(=O)CCCCCCCSCCSC 62a_100000212216_100009991516 [0,0,1,0,0,0|3,0,0]=4 367 B16R0.61 CCOC(=O)CCCCCCNCCCCO 2230a_100000750430_100009814379 [0,0,1,0,0,0|3,0,0]=4 368 B16R0.61 CCOC(=O)CCCCCCNCCCCO 34a_100000750430_100009814379 [0,0,1,0,0,0|3,0,0]=4 369 B16R0.61 CCOC(=O)CCCCCCNCCCOC 34a_100150723488_100009814379 [0,0,1,0,0,0|3,0,0]=4 370 B16R0.61 CCOC(=O)CCCCCCNCCCSC 2230a_100000749238_100009814379 [0,0,1,0,0,0|3,0,0]=4 371 B16R0.61 CCOC(=O)CCCCCCNCCSCC 2230a_100000106463_100009814379 [0,0,1,0,0,0|3,0,0]=4 372 B16R0.61 CCOC(=O)CCCCCCOCCCCBr 34a_100011216708_100009814379 [0,0,1,0,0,0|3,0,0]=4 373 B16R0.61 CCOC(=O)CCCCCCOCCCCCl 34a_100000210776_100009814379 [0,0,1,0,0,0|3,0,0]=4 374 B16R0.61 CCOC(=O)CCCCCCOCCCCCl 7a_100000210776_100009814379 [0,0,1,0,0,0|3,0,0]=4 375 B16R0.61 CCOC(=O)CCCCCCOCCCCF 34a_100011995726_100009814379 [0,0,1,0,0,0|3,0,0]=4 376 B16R0.61 CCOC(=O)CCCCCCOCCCCF 7a_100011995726_100009814379 [0,0,1,0,0,0|3,0,0]=4 377 B16R0.61 CCOC(=O)CCCCCCOCCCCI 34a_200012148704_100009814379 [0,0,1,0,0,0|3,0,0]=4 378 B16R0.61 CCOC(=O)CCCCCCOCCCCN 34a_100000750430_100009814379 [0,0,1,0,0,0|3,0,0]=4 379 B16R0.61 CCOC(=O)CCCCCCOCCCNC 34a_100000213112_100009814379 [0,0,1,0,0,0|3,0,0]=4 380 B16R0.61 CCOC(=O)CCCCCCOCCCOC 34a_100000740835_100009814379 [0,0,1,0,0,0|3,0,0]=4 381 B16R0.61 CCOC(=O)CCCCCCOCCCSC 34a_100000690336_100009814379 [0,0,1,0,0,0|3,0,0]=4 382 B16R0.61 CCOC(=O)CCCCCCOCCCSC 7a_100000690336_100009814379 [0,0,1,0,0,0|3,0,0]=4 383 B16R0.61 CCOC(=O)CCCCCCOCCSCC 34a_100000212035_100009814379 [0,0,1,0,0,0|3,0,0]=4 384 B16R0.61 CCOC(=O)CCCCCCOCCSCC 7a_100000212035_100009814379 [0,0,1,0,0,0|3,0,0]=4 385 B16R0.61 CCOC(=O)CCCCCCSCCCCF 62a_100000729493_100009814379 [0,0,1,0,0,0|3,0,0]=4 386 B16R0.61 CCOC(=O)CCCCCCSCCCCO 62a_100000210776_100009814379 [0,0,1,0,0,0|3,0,0]=4 387 B16R0.61 CCOC(=O)CCCCCCSCCCOC 62a_100000709357_100009814379 [0,0,1,0,0,0|3,0,0]=4 388 B16R0.61 CCOC(=O)CCCCCCSCCSCC 62a_100000757381_100009814379 [0,0,1,0,0,0|3,0,0]=4 389 B16R0.61 CCOC(=O)CCCCCNCCCCCO 2230a_100000762737_100000755133 [0,0,1,0,0,0|3,0,0]=4 390 B16R0.61 CCOC(=O)CCCCCNCCCCCO 34a_100000762737_100000755133 [0,0,1,0,0,0|3,0,0]=4 391 B16R0.61 CCOC(=O)CCCCCOCCCCCBr 34a_100000746331_100000755133 [0,0,1,0,0,0|3,0,0]=4 392 B16R0.61 CCOC(=O)CCCCCOCCCCCBr 7a_100000746331_100000755133 [0,0,1,0,0,0|3,0,0]=4 393 B16R0.61 CCOC(=O)CCCCCOCCCCCCl 34a_100000746330_100000755133 [0,0,1,0,0,0|3,0,0]=4 394 B16R0.61 CCOC(=O)CCCCCOCCCCCCl 7a_100000746330_100000755133 [0,0,1,0,0,0|3,0,0]=4 395 B16R0.61 CCOC(=O)CCCCCOCCCCCF 7a_100011214988_100000729378 [0,0,1,0,0,0|3,0,0]=4 396 B16R0.61 CCOC(=O)CCCCCOCCCCCI 34a_200012148887_100000755133 [0,0,1,0,0,0|3,0,0]=4 397 B16R0.61 CCOC(=O)CCCCCOCCCCCI 7a_200012148887_100000755133 [0,0,1,0,0,0|3,0,0]=4 398 B16R0.61 CCOC(=O)CCCCCOCCCCCN 34a_100000762737_100000755133 [0,0,1,0,0,0|3,0,0]=4 399 B16R0.61 CCOC(=O)CCCCCOCCCCCO 7a_100011214988_100000746330 [0,0,1,0,0,0|3,0,0]=4 400 B16R0.61 CCOC(=O)CCCCCOCCCCOC 34a_100000740925_100000755133 [0,0,1,0,0,0|3,0,0]=4 401 B16R0.61 CCOC(=O)CCCCCOCCCCOC 7a_100011214988_100000730899 [0,0,1,0,0,0|3,0,0]=4 402 B16R0.61 CCOC(=O)CCCCCOCCCCSC 34a_100011217163_100000755133 [0,0,1,0,0,0|3,0,0]=4 403 B16R0.61 CCOC(=O)CCCCCOCCCCSC 7a_100011217163_100000755133 [0,0,1,0,0,0|3,0,0]=4 404 B16R0.61 CCOC(=O)CCCCCOCCCSCC 34a_100011216438_100000755133 [0,0,1,0,0,0|3,0,0]=4 405 B16R0.61 CCOC(=O)CCCCCOCCCSCC 7a_100011216438_100000755133 [0,0,1,0,0,0|3,0,0]=4 406 B16R0.61 CCOC(=O)CCCCCSCCCCCF 62a_100000729378_100000755133 [0,0,1,0,0,0|3,0,0]=4 407 B16R0.61 CCOC(=O)CCCCCSCCCCCF 62a_100000755133_100000729378 [0,0,1,0,0,0|3,0,0]=4 408 B16R0.61 CCOC(=O)CCCCCSCCCCCO 62a_100000746330_100000755133 [0,0,1,0,0,0|3,0,0]=4 409 B16R0.61 CCOC(=O)CCCCCSCCCCCO 62a_100000755133_100000746330 [0,0,1,0,0,0|3,0,0]=4 410 B16R0.61 CCOC(=O)CCCCCSCCCCOC 62a_100000730899_100000755133 [0,0,1,0,0,0|3,0,0]=4 411 B16R0.61 CCOC(=O)CCCCCSCCCCOC 62a_100000755133_100000730899 [0,0,1,0,0,0|3,0,0]=4 412 B16R0.61 CCOC(=O)CCCCNCCCCCCO 2230a_100000686447_100000750268 [0,0,1,0,0,0|3,0,0]=4 413 B16R0.61 CCOC(=O)CCCCNCCCCCCO 34a_100000686447_100000750268 [0,0,1,0,0,0|3,0,0]=4 414 B16R0.61 CCOC(=O)CCCCNCCCCCOC 2230a_100000747528_100000750268 [0,0,1,0,0,0|3,0,0]=4 415 B16R0.61 CCOC(=O)CCCCNCCCCCOC 34a_100000747528_100000750268 [0,0,1,0,0,0|3,0,0]=4 416 B16R0.61 CCOC(=O)CCCCOCCCCCCBr 34a_100011215345_100000750268 [0,0,1,0,0,0|3,0,0]=4 417 B16R0.61 CCOC(=O)CCCCOCCCCCCBr 7a_100011215345_100000750268 [0,0,1,0,0,0|3,0,0]=4 418 B16R0.61 CCOC(=O)CCCCOCCCCCCCl 34a_100000766143_100000750268 [0,0,1,0,0,0|3,0,0]=4 419 B16R0.61 CCOC(=O)CCCCOCCCCCCCl 7a_100000766143_100000750268 [0,0,1,0,0,0|3,0,0]=4 420 B16R0.61 CCOC(=O)CCCCOCCCCCCF 34a_100000732779_100000750268 [0,0,1,0,0,0|3,0,0]=4 421 B16R0.61 CCOC(=O)CCCCOCCCCCCF 7a_100000732779_100000750268 [0,0,1,0,0,0|3,0,0]=4 422 B16R0.61 CCOC(=O)CCCCOCCCCCCN 34a_100000686447_100000750268 [0,0,1,0,0,0|3,0,0]=4 423 B16R0.61 CCOC(=O)CCCCOCCCCCNC 34a_100000722520_100000750268 [0,0,1,0,0,0|3,0,0]=4 424 B16R0.61 CCOC(=O)CCCCSCCCCCCF 62a_100000750268_100015922095 [0,0,1,0,0,0|3,0,0]=4 425 B16R0.61 CCOC(=O)CCCCSCCCCCCF 62a_100015922095_100000750268 [0,0,1,0,0,0|3,0,0]=4 426 B16R0.61 CCOC(=O)CCCCSCCCCCCO 62a_100000750268_100000766143 [0,0,1,0,0,0|3,0,0]=4 427 B16R0.61 CCOC(=O)CCCCSCCCCCCO 62a_100000766143_100000750268 [0,0,1,0,0,0|3,0,0]=4 428 B16R0.61 CCOC(=O)CCCNCCCCCCCO 2230a_100011996573_100009991533 [0,0,1,0,0,0|3,0,0]=4 429 B16R0.61 CCOC(=O)CCCNCCCCCCCO 34a_100011996573_100009991533 [0,0,1,0,0,0|3,0,0]=4 430 B16R0.61 CCOC(=O)CCCOCCCCCCCBr 34a_100000760002_100009991533 [0,0,1,0,0,0|3,0,0]=4 431 B16R0.61 CCOC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215271 [0,0,1,0,0,0|3,0,0]=4 432 B16R0.61 CCOC(=O)CCCOCCCCCCCN 34a_100011996573_100009991533 [0,0,1,0,0,0|3,0,0]=4 433 B16R0.61 CCOC(=O)CCCOCCCCCCCO 7a_100012001163_100000760002 [0,0,1,0,0,0|3,0,0]=4 434 B16R0.61 CCOC(=O)CCCOCCCCCCOC 34a_200012092642_100009991533 [0,0,1,0,0,0|3,0,0]=4 435 B16R0.61 CCOC(=O)CCCOCCCCCCOC 7a_100012001163_100011998445 [0,0,1,0,0,0|3,0,0]=4 436 B16R0.61 CCOC(=O)CCCOCCCCCCOC 7a_200012092642_100011215271 [0,0,1,0,0,0|3,0,0]=4 437 B16R0.61 CCOC(=O)CCCSCCCCCCCO 62a_100000760002_100009991533 [0,0,1,0,0,0|3,0,0]=4 438 B16R0.61 CCOC(=O)CCCSCCCCCCCO 62a_100009991533_100000760002 [0,0,1,0,0,0|3,0,0]=4 439 B16R0.61 CCOC(=O)CCCSCCCCCCOC 62a_100009991533_100011998445 [0,0,1,0,0,0|3,0,0]=4 440 B16R0.61 CCOC(=O)CCCSCCCCCCOC 62a_100011998445_100009991533 [0,0,1,0,0,0|3,0,0]=4 441 B16R0.61 CCOC(=O)CCNCCCCCCCCO 2230a_102515433106_100011206558 [0,0,1,0,0,0|3,0,0]=4 442 B16R0.61 CCOC(=O)CCNCCCCCCCCO 34a_102515433106_100000765890 [0,0,1,0,0,0|3,0,0]=4 443 B16R0.61 CCOC(=O)CCOCCCCCCCCBr 34a_100009813846_100000765890 [0,0,1,0,0,0|3,0,0]=4 444 B16R0.61 CCOC(=O)CCOCCCCCCCCBr 7a_100009813846_100011206558 [0,0,1,0,0,0|3,0,0]=4 445 B16R0.61 CCOC(=O)CCOCCCCCCCCCl 34a_100000033203_100000765890 [0,0,1,0,0,0|3,0,0]=4 446 B16R0.61 CCOC(=O)CCOCCCCCCCCCl 7a_100000033203_100011206558 [0,0,1,0,0,0|3,0,0]=4 447 B16R0.61 CCOC(=O)CCOCCCCCCCCN 34a_102515433106_100000765890 [0,0,1,0,0,0|3,0,0]=4 448 B16R0.61 CCOC(=O)CCSCCCCCCCCO 62a_100000033203_100000765890 [0,0,1,0,0,0|3,0,0]=4 449 B16R0.61 CCOC(=O)CCSCCCCCCCCO 62a_100000765890_100000033203 [0,0,1,0,0,0|3,0,0]=4 450 B16R0.61 CCOC(=O)CNCCCCCCCCCO 2230a_100000078944_100000188475 [0,0,1,0,0,0|3,0,0]=4 451 B16R0.61 CCOC(=O)CNCCCCCCCCCO 34a_100000078944_100000188475 [0,0,1,0,0,0|3,0,0]=4 452 B16R0.61 CCOC(=O)COCCCCCCCCCBr 34a_100009813782_100000188475 [0,0,1,0,0,0|3,0,0]=4 453 B16R0.61 CCOC(=O)COCCCCCCCCCBr 7a_100009813782_100000188475 [0,0,1,0,0,0|3,0,0]=4 454 B16R0.61 CCOC(=O)COCCCCCCCCCCl 34a_100009868337_100000188475 [0,0,1,0,0,0|3,0,0]=4 455 B16R0.61 CCOC(=O)COCCCCCCCCCCl 7a_100009868337_100000188475 [0,0,1,0,0,0|3,0,0]=4 456 B16R0.61 CCOC(=O)COCCCCCCCCCN 34a_100000078944_100000188475 [0,0,1,0,0,0|3,0,0]=4 457 B16R0.61 CCOC(=O)CSCCCCCCCCCO 62a_100000188475_100009813782 [0,0,1,0,0,0|3,0,0]=4 458 B16R0.61 CCOC(=O)CSCCCCCCCCCO 62a_100009813782_100000188475 [0,0,1,0,0,0|3,0,0]=4 459 B16R0.61 CCOCCCCCCCCCC(=O)OCC 34a_100121572206_100009828014 [0,0,1,0,0,0|2,0,0]=3 460 B16R0.61 CCOCCCNCCCCCC(=O)OCC 2230a_100000210961_100000755133 [0,0,1,0,0,0|3,0,0]=4 461 B16R0.61 CCOCCCNCCCCCC(=O)OCC 34a_100000210961_100000755133 [0,0,1,0,0,0|3,0,0]=4 462 B16R0.61 CCOCCCOCCCCCC(=O)OCC 34a_100000757476_100000755133 [0,0,1,0,0,0|3,0,0]=4 463 B16R0.61 CCOCCCOCCCCCC(=O)OCC 7a_100000757476_100000755133 [0,0,1,0,0,0|3,0,0]=4 464 B16R0.61 CCOCCCOCCCCCC(=O)OCC 7a_100011214988_100012232248 [0,0,1,0,0,0|3,0,0]=4 465 B16R0.61 CCOCCCSCCCCCC(=O)OCC 62a_100000755133_100012232248 [0,0,1,0,0,0|3,0,0]=4 466 B16R0.61 CCOCCCSCCCCCC(=O)OCC 62a_100012232248_100000755133 [0,0,1,0,0,0|3,0,0]=4 467 B16R0.61 CCOCCNCCCCCCC(=O)OCC 2230a_102516460346_100009814379 [0,0,1,0,0,0|3,0,0]=4 468 B16R0.61 CCOCCNCCCCCCC(=O)OCC 34a_102516460346_100009814379 [0,0,1,0,0,0|3,0,0]=4 469 B16R0.61 CCOCCOCCCCCCC(=O)OCC 34a_100000210136_100009814379 [0,0,1,0,0,0|3,0,0]=4 470 B16R0.61 CCOCCOCCCCCCC(=O)OCC 7a_100000210136_100009814379 [0,0,1,0,0,0|3,0,0]=4 471 B16R0.61 CCOCCSCCCCCCC(=O)OCC 62a_100000210147_100009814379 [0,0,1,0,0,0|3,0,0]=4 472 B16R0.61 CCOCSCCCCCCCC(=O)OCC 62a_100000739092_100009991516 [0,0,1,0,0,0|3,0,0]=4 473 B16R0.61 CNNC(=O)CCCCCCCCCCCO 22a_100016993582_100000037981 [0,0,1,0,0,0|3,0,0]=4 474 B16R0.61 COCC(=O)CCCCCCCCCCCO 1458a_100000210968_100009812471 [0,0,1,0,0,0|2,0,0]=3 475 B16R0.61 COCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210968 [0,0,1,0,0,0|3,0,0]=4 476 B16R0.61 CSCC(=O)CCCCCCCCCCCO 1458a_100000184570_100009812471 [0,0,1,0,0,0|2,0,0]=3 477 B16R0.61 CSCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000184570 [0,0,1,0,0,0|3,0,0]=4 478 B16R0.61 N#CCC(=O)CCCCCCCCCCCO 1458a_100051588842_100009812471 [0,0,1,0,0,0|2,0,1]=4 479 B16R0.61 O=C(CCO)CCCCCCCCCCCO 1458a_100011216618_100009812471 [0,0,1,0,0,0|2,0,0]=3 480 B16R0.61 O=C(CCO)NCCCCCCCCCCO 240690a_100000066964_100011216618 [0,0,1,0,0,0|3,0,0]=4 481 B16R0.154 C#CCCCCCCCC(=O)CC(C)CCC 1458a_100000087357_100011216630 [0,0,1,0,0,0|0,0,2]=3 482 B16R0.154 C#CCCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100153394163 [0,0,1,0,0,0|0,0,2]=3 483 B16R0.154 C#CCCCCCCCC(=O)CC(C)SCC 1458a_200011311441_100153394163 [0,0,1,0,0,0|1,0,2]=4 484 B16R0.154 C#CCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100000087357 [0,0,1,0,0,0|1,0,2]=4 485 B16R0.154 C#CCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100000087357 [0,0,1,0,0,0|1,0,2]=4 486 B16R0.154 C#CCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100000087357 [0,0,1,0,0,0|1,0,2]=4 487 B16R0.154 C#CCCCCCCCC(=O)NC(C)CCC 527a_100000741246_100000087357 [0,0,1,0,0,0|1,0,2]=4 488 B16R0.154 C=C(CCC)CC(=O)CCCCCCCCC 1458a_100000138376_100000210670 [0,0,1,0,0,0|0,0,2]=3 489 B16R0.154 C=C(CCC)CC(=O)CCCCCCCCO 1458a_100000138376_100000033203 [0,0,1,0,0,0|1,0,2]=4 490 B16R0.154 C=C(CCC)CC(=O)NCCCCCCCC 11a_100000229939_100000138376 [0,0,1,0,0,0|1,0,2]=4 491 B16R0.154 C=C(CCC)CC(=O)NCCCCCCCC 240690a_100000229939_100000138376 [0,0,1,0,0,0|1,0,2]=4 492 B16R0.154 C=C(CCC)CC(=O)NCCCCCCCC 527a_100000229939_100000138376 [0,0,1,0,0,0|1,0,2]=4 493 B16R0.154 C=CCCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100012355270 [0,0,1,0,0,0|0,0,2]=3 494 B16R0.154 C=CCCCCCCCC(=O)CC(C)CCC 1458a_100011216160_100011216630 [0,0,1,0,0,0|0,0,2]=3 495 B16R0.154 C=CCCCCCCCC(=O)CC(C)SCC 1458a_200011311441_100012355270 [0,0,1,0,0,0|1,0,2]=4 496 B16R0.154 C=CCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100011216160 [0,0,1,0,0,0|1,0,2]=4 497 B16R0.154 C=CCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100011216160 [0,0,1,0,0,0|1,0,2]=4 498 B16R0.154 C=CCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100011216160 [0,0,1,0,0,0|1,0,2]=4 499 B16R0.154 C=CCCCCCCCC(=O)NC(C)CCC 527a_100000741246_100011216160 [0,0,1,0,0,0|1,0,2]=4 500 B16R0.154 CCCC(=CC(=O)CCCCCCCCO)C 1458a_100020676950_100000033203 [0,0,1,0,0,0|1,0,2]=4 501 B16R0.154 CCCC(C)CC(=O)CCCCCCCCO 1458a_100000748435_100000033203 [0,0,1,0,0,0|1,0,0]=2 502 B16R0.154 CCCC(C)CC(=O)CCOCCOCCO 1458a_100000748435_100000032323 [0,0,1,0,0,0|3,0,0]=4 503 B16R0.154 CCCC(C)CC(=O)CCOCCOCCO 1458a_100009915118_100011216630 [0,0,1,0,0,0|3,0,0]=4 504 B16R0.154 CCCC(C)CC(=O)COCCOCCOC 1458a_100011214951_100011216630 [0,0,1,0,0,0|3,0,0]=4 505 B16R0.154 CCCC(C)CC(=O)NCCCCCCCO 240690a_100011996573_100000748435 [0,0,1,0,0,0|2,0,0]=3 506 B16R0.154 CCCC(C)CC(=O)NCCCOCCCO 240690a_100011310245_100000748435 [0,0,1,0,0,0|3,0,0]=4 507 B16R0.154 CCCC(C)CC(=O)NCCCOCCOC 1626a_100000206027_100000748435 [0,0,1,0,0,0|3,0,0]=4 508 B16R0.154 CCCC(C)CC(=O)NCCCOCCOC 240690a_100000206027_100000748435 [0,0,1,0,0,0|3,0,0]=4 509 B16R0.154 CCCC(C)CC(=O)NCCOCCOCC 11a_100102712874_100000748435 [0,0,1,0,0,0|3,0,0]=4 510 B16R0.154 CCCC(C)CC(=O)NCCOCCOCC 1626a_100102712874_100000748435 [0,0,1,0,0,0|3,0,0]=4 511 B16R0.154 CCCC(C)CC(=O)NCCOCCOCC 240690a_100102712874_100000748435 [0,0,1,0,0,0|3,0,0]=4 512 B16R0.154 CCCC(C)CC(=O)NCCOCCOCC 527a_100102712874_100000748435 [0,0,1,0,0,0|3,0,0]=4 513 B16R0.154 CCCC(C)NC(=O)CCCCCCCCO 240690a_100000741246_100000015970 [0,0,1,0,0,0|2,0,0]=3 514 B16R0.154 CCCC(C)NC(=O)NCCCCCCCO 2708a_100000741246_100011996573 [0,0,1,0,0,0|3,0,0]=4 515 B16R0.154 CCCC(C)NC(=O)NCCCCCCCO 2708a_100011996573_100000741246 [0,0,1,0,0,0|3,0,0]=4 516 B16R0.154 CCCC(C)NC(=O)NCCCCCCCO 273464a_100000741246_100011996573 [0,0,1,0,0,0|3,0,0]=4 517 B16R0.154 CCCC(C)NC(=O)NCCCCCCCO 512a_100000741246_100011996573 [0,0,1,0,0,0|3,0,0]=4 518 B16R0.154 CCCC(C)NC(=O)NCCCCCCCO 512a_100011996573_100000741246 [0,0,1,0,0,0|3,0,0]=4 519 B16R0.154 CCCCC#CCCCC(=O)CC(C)CCC 1458a_100000748435_200000047210 [0,0,1,0,0,0|0,0,2]=3 520 B16R0.154 CCCCC#CCCCC(=O)CC(C)SCC 1458a_200011311441_200000047210 [0,0,1,0,0,0|1,0,2]=4 521 B16R0.154 CCCCC/C=C/CCC(=O)CC(C)CCC 1458a_200015255902_100011216630 [0,0,1,0,0,0|0,0,2]=3 522 B16R0.154 CCCCC/C=C/CCC(=O)NC(C)CCC 11a_100000741246_200015255902 [0,0,1,0,0,0|1,0,2]=4 523 B16R0.154 CCCCC/C=C/CCC(=O)NC(C)CCC 1626a_100000741246_200015255902 [0,0,1,0,0,0|1,0,2]=4 524 B16R0.154 CCCCC/C=C/CCC(=O)NC(C)CCC 240690a_100000741246_200015255902 [0,0,1,0,0,0|1,0,2]=4 525 B16R0.154 CCCCC/C=C/CCC(=O)NC(C)CCC 527a_100000741246_200015255902 [0,0,1,0,0,0|1,0,2]=4 526 B16R0.154 CCCCCC/C=C/CC(=O)CC(C)CCC 1458a_100020681715_100011216630 [0,0,1,0,0,0|0,0,2]=3 527 B16R0.154 CCCCCC/C=C/CC(=O)NC(C)CCC 11a_100000741246_100020681715 [0,0,1,0,0,0|1,0,2]=4 528 B16R0.154 CCCCCC/C=C/CC(=O)NC(C)CCC 1626a_100000741246_100020681715 [0,0,1,0,0,0|1,0,2]=4 529 B16R0.154 CCCCCC/C=C/CC(=O)NC(C)CCC 240690a_100000741246_100020681715 [0,0,1,0,0,0|1,0,2]=4 530 B16R0.154 CCCCCCCC=CC(=O)CC(C)CCC 1458a_200015332781_100011216630 [0,0,1,0,0,0|0,0,2]=3 531 B16R0.154 CCCCCCCC=CC(=O)NC(C)CCC 11a_100000741246_200015332781 [0,0,1,0,0,0|1,0,2]=4 532 B16R0.154 CCCCCCCC=CC(=O)NC(C)CCC 1626a_100000741246_200015332781 [0,0,1,0,0,0|1,0,2]=4 533 B16R0.154 CCCCCCCC=CC(=O)NC(C)CCC 240690a_100000741246_200015332781 [0,0,1,0,0,0|1,0,2]=4 534 B16R0.154 CCCCCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210670 [0,0,1,0,0,0|0,0,2]=3 535 B16R0.154 CCCCCCCCCC(=O)CC(=O)CCC 1458a_100000210558_100000747444 [0,0,1,0,0,0|1,0,1]=3 536 B16R0.154 CCCCCCCCCC(=O)CC(=O)NCC 1458a_100000210558_100000183381 [0,0,1,0,0,0|2,0,1]=4 537 B16R0.154 CCCCCCCCCC(=O)CC(=O)OCC 1458a_100000210558_100000188475 [0,0,1,0,0,0|2,0,1]=4 538 B16R0.154 CCCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210670 [0,0,1,0,0,0|2,0,1]=4 539 B16R0.154 CCCCCCCCCC(=O)CC(C)CCC 1458a_100000210558_100011216630 [0,0,1,0,0,0|0,0,0]=1 540 B16R0.154 CCCCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210670 [0,0,1,0,0,0|0,0,0]=1 541 B16R0.154 CCCCCCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210670 [0,0,1,0,0,0|1,0,0]=2 542 B16R0.154 CCCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210670 [0,0,1,0,0,0|2,0,0]=3 543 B16R0.154 CCCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100000210558 [0,0,1,0,0,0|1,0,0]=2 544 B16R0.154 CCCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100000210558 [0,0,1,0,0,0|1,0,0]=2 545 B16R0.154 CCCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100000210558 [0,0,1,0,0,0|1,0,0]=2 546 B16R0.154 CCCCCCCCCC(=O)NC(C)CCC 527a_100000741246_100000210558 [0,0,1,0,0,0|1,0,0]=2 547 B16R0.154 CCCCCCCCCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000210558 [0,0,1,0,0,0|2,0,1]=4 548 B16R0.154 CCCCCCCCCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000210558 [0,0,1,0,0,0|2,0,1]=4 549 B16R0.154 CCCCCCCCCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000210558 [0,0,1,0,0,0|2,0,1]=4 550 B16R0.154 CCCCCCCCCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000210558 [0,0,1,0,0,0|2,0,1]=4 551 B16R0.154 CCCCCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210558 [0,0,1,0,0,0|2,0,0]=3 552 B16R0.154 CCCCCCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000210558 [0,0,1,0,0,0|2,0,0]=3 553 B16R0.154 CCCCCCCCCC(=O)N[C@H](C)COC 11a_100000764878_100000210558 [0,0,1,0,0,0|2,0,0]=3 554 B16R0.154 CCCCCCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000210558 [0,0,1,0,0,0|2,0,0]=3 555 B16R0.154 CCCCCCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000210558 [0,0,1,0,0,0|2,0,0]=3 556 B16R0.154 CCCCCCCCCC(=O)N[C@H](C)COC 527a_100000764878_100000210558 [0,0,1,0,0,0|2,0,0]=3 557 B16R0.154 CCCCCCCCCC(C)CN(C)CCC 270004a_100000747261_200011218516 [0,0,1,0,0,0|2,0,0]=3 558 B16R0.154 CCCCCCCCCC(C)CN(C)CCO 270004a_100000210263_200011218516 [0,0,1,0,0,0|3,0,0]=4 559 B16R0.154 CCCCCCCCCC(C)NC(C)CCC 270004a_100000741246_100011215753 [0,0,1,0,0,0|2,0,1]=4 560 B16R0.154 CCCCCCCCCC(C)OC(C)CCC 34a_100011218016_100000766640 [0,0,1,0,0,0|2,0,1]=4 561 B16R0.154 CCCCCCCCCC(C)OC(C)CCC 7a_100011218016_100000766640 [0,0,1,0,0,0|2,0,1]=4 562 B16R0.154 CCCCCCCCCC(O)CC(=O)NCC 240690a_100015525214_200012339438 [0,0,1,0,0,0|2,0,0]=3 563 B16R0.154 CCCCCCCCCC(O)CC(=O)NNC 22a_100016993582_200012339438 [0,0,1,0,0,0|3,0,0]=4 564 B16R0.154 CCCCCCCCCN(C)CC(=O)CCC 2230a_100000232482_100000747444 [0,0,1,0,0,0|1,0,0]=2 565 B16R0.154 CCCCCCCCCN(C)CC(=O)CCC 269982a_100000232482_100000747444 [0,0,1,0,0,0|1,0,0]=2 566 B16R0.154 CCCCCCCCCN(C)CC(=O)NCC 2230a_100000232482_100000183381 [0,0,1,0,0,0|2,0,0]=3 567 B16R0.154 CCCCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100011214924 [0,0,1,0,0,0|2,0,0]=3 568 B16R0.154 CCCCCCCCCN(C)CC(=O)NCC 269982a_100000232482_100000183381 [0,0,1,0,0,0|2,0,0]=3 569 B16R0.154 CCCCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210670 [0,0,1,0,0,0|2,0,0]=3 570 B16R0.154 CCCCCCCCCN(C)CC(=O)NCO 2230a_100000232482_100000185155 [0,0,1,0,0,0|3,0,0]=4 571 B16R0.154 CCCCCCCCCN(C)CC(=O)NCO 269982a_100000232482_100000185155 [0,0,1,0,0,0|3,0,0]=4 572 B16R0.154 CCCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100011214924 [0,0,1,0,0,0|2,0,0]=3 573 B16R0.154 CCCCCCCCCN(C)CC(=O)OCC 2230a_100000232482_100000188475 [0,0,1,0,0,0|2,0,0]=3 574 B16R0.154 CCCCCCCCCN(C)CC(=O)OCC 269982a_100000232482_100000188475 [0,0,1,0,0,0|2,0,0]=3 575 B16R0.154 CCCCCCCCCN(C)CC(C)CCC 2230a_100000232482_100011216630 [0,0,1,0,0,0|2,0,0]=3 576 B16R0.154 CCCCCCCCCN(C)CC(C)CCC 269982a_100000232482_100011216630 [0,0,1,0,0,0|2,0,0]=3 577 B16R0.154 CCCCCCCCCN(C)CC(C)CCC 270004a_100000232482_100000243154 [0,0,1,0,0,0|2,0,0]=3 578 B16R0.154 CCCCCCCCNC(=O)C=C(C)CCC 11a_100000229939_100020676950 [0,0,1,0,0,0|1,0,2]=4 579 B16R0.154 CCCCCCCCNC(=O)C=C(C)CCC 1626a_100000229939_100020676950 [0,0,1,0,0,0|1,0,2]=4 580 B16R0.154 CCCCCCCCNC(=O)C=C(C)CCC 240690a_100000229939_100020676950 [0,0,1,0,0,0|1,0,2]=4 581 B16R0.154 CCCCCCCCNC(=O)CC(C)CCC 11a_100000229939_100000748435 [0,0,1,0,0,0|1,0,0]=2 582 B16R0.154 CCCCCCCCNC(=O)CC(C)CCC 1626a_100000229939_100000748435 [0,0,1,0,0,0|1,0,0]=2 583 B16R0.154 CCCCCCCCNC(=O)CC(C)CCC 240690a_100000229939_100000748435 [0,0,1,0,0,0|1,0,0]=2 584 B16R0.154 CCCCCCCCNC(=O)CC(C)CCC 527a_100000229939_100000748435 [0,0,1,0,0,0|1,0,0]=2 585 B16R0.154 CCCCCCCCNC(=O)CC(C)SCC 11a_100000229939_200011311441 [0,0,1,0,0,0|2,0,0]=3 586 B16R0.154 CCCCCCCCNC(=O)CC(C)SCC 1626a_100000229939_200011311441 [0,0,1,0,0,0|2,0,0]=3 587 B16R0.154 CCCCCCCCNC(=O)CC(C)SCC 240690a_100000229939_200011311441 [0,0,1,0,0,0|2,0,0]=3 588 B16R0.154 CCCCCCCCNC(=O)CC(C)SCC 527a_100000229939_200011311441 [0,0,1,0,0,0|2,0,0]=3 589 B16R0.154 CCCCCCCCNC(=O)CS(=O)CCC 11a_100000229939_100011387404 [0,0,1,0,0,0|3,0,0]=4 590 B16R0.154 CCCCCCCCNC(=O)CS(=O)CCC 1626a_100000229939_100011387404 [0,0,1,0,0,0|3,0,0]=4 591 B16R0.154 CCCCCCCCNC(=O)CS(=O)CCC 240690a_100000229939_100011387404 [0,0,1,0,0,0|3,0,0]=4 592 B16R0.154 CCCCCCCCNC(=O)CS(=O)CCC 527a_100000229939_100011387404 [0,0,1,0,0,0|3,0,0]=4 593 B16R0.154 CCCCCCCCNC(=O)NC(C)CCC 2708a_100000229939_100000741246 [0,0,1,0,0,0|2,0,0]=3 594 B16R0.154 CCCCCCCCNC(=O)NC(C)CCC 2708a_100000741246_100000229939 [0,0,1,0,0,0|2,0,0]=3 595 B16R0.154 CCCCCCCCNC(=O)NC(C)CCC 273464a_100000741246_100000229939 [0,0,1,0,0,0|2,0,0]=3 596 B16R0.154 CCCCCCCCNC(=O)NC(C)CCC 512a_100000229939_100000741246 [0,0,1,0,0,0|2,0,0]=3 597 B16R0.154 CCCCCCCCNC(=O)NC(C)CCC 512a_100000741246_100000229939 [0,0,1,0,0,0|2,0,0]=3 598 B16R0.154 CCCCCCCCNC(=O)N[C@H](C)CCO 2708a_100000229939_100000706166 [0,0,1,0,0,0|3,0,0]=4 599 B16R0.154 CCCCCCCCNC(=O)N[C@H](C)CCO 273464a_100000706166_100000229939 [0,0,1,0,0,0|3,0,0]=4 600 B16R0.154 CCCCCCCCNC(=O)N[C@H](C)CCO 512a_100000229939_100000706166 [0,0,1,0,0,0|3,0,0]=4 601 B16R0.154 CCCCCCCCNC(=O)N[C@H](C)CCO 512a_100000706166_100000229939 [0,0,1,0,0,0|3,0,0]=4 602 B16R0.154 CCCCCCCCNC(=O)N[C@H](C)COC 2708a_100000229939_100000764878 [0,0,1,0,0,0|3,0,0]=4 603 B16R0.154 CCCCCCCCNC(=O)N[C@H](C)COC 2708a_100000764878_100000229939 [0,0,1,0,0,0|3,0,0]=4 604 B16R0.154 CCCCCCCCNC(=O)N[C@H](C)COC 273464a_100000229939_100000764878 [0,0,1,0,0,0|3,0,0]=4 605 B16R0.154 CCCCCCCCNC(=O)N[C@H](C)COC 273464a_100000764878_100000229939 [0,0,1,0,0,0|3,0,0]=4 606 B16R0.154 CCCCCCCCNC(=O)N[C@H](C)COC 512a_100000229939_100000764878 [0,0,1,0,0,0|3,0,0]=4 607 B16R0.154 CCCCCCCCNC(=O)N[C@H](C)COC 512a_100000764878_100000229939 [0,0,1,0,0,0|3,0,0]=4 608 B16R0.154 CCCCCCCCNC(C)CC(=O)OCC 2230a_100000229939_100009817359 [0,0,1,0,0,0|2,0,0]=3 609 B16R0.154 CCCCCCCCOC(C)CC(=O)OCC 7a_100000210232_100009817359 [0,0,1,0,0,0|2,0,0]=3 610 B16R0.154 CCCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210759 [0,0,1,0,0,0|2,0,0]=3 611 B16R0.154 CCCCCCCCSC(C)CC(=O)OCC 62a_100000210759_100009817359 [0,0,1,0,0,0|2,0,0]=3 612 B16R0.154 CCCCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210317 [0,0,1,0,0,0|2,0,0]=3 613 B16R0.154 CCCCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210317 [0,0,1,0,0,0|3,0,0]=4 614 B16R0.154 CCCCCCCCSC(C)OC(=O)OCC 62a_100000210759_100000036008 [0,0,1,0,0,0|3,0,0]=4 615 B16R0.154 CCCCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210272_100000688340 [0,0,1,0,0,0|3,0,0]=4 616 B16R0.154 CCCCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210272_100000688340 [0,0,1,0,0,0|3,0,0]=4 617 B16R0.154 CCCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210614_100000688340 [0,0,1,0,0,0|3,0,0]=4 618 B16R0.154 CCCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210316 [0,0,1,0,0,0|3,0,0]=4 619 B16R0.154 CCCCCOCCOC(C)CC(=O)OCC 7a_100011215259_100009817359 [0,0,1,0,0,0|3,0,0]=4 620 B16R0.154 CCCCOCCCNC(=O)CC(C)CCC 1626a_200000211371_100000748435 [0,0,1,0,0,0|2,0,0]=3 621 B16R0.154 CCCCOCCCNC(=O)CC(C)CCC 240690a_200000211371_100000748435 [0,0,1,0,0,0|2,0,0]=3 622 B16R0.154 CCCCOCCCNC(=O)CC(C)CCC 527a_200000211371_100000748435 [0,0,1,0,0,0|2,0,0]=3 623 B16R0.154 CCCCOCCCNC(=O)CC(C)SCC 1626a_200000211371_200011311441 [0,0,1,0,0,0|3,0,0]=4 624 B16R0.154 CCCCOCCCNC(=O)CC(C)SCC 240690a_200000211371_200011311441 [0,0,1,0,0,0|3,0,0]=4 625 B16R0.154 CCCCOCCCNC(=O)CC(C)SCC 527a_200000211371_200011311441 [0,0,1,0,0,0|3,0,0]=4 626 B16R0.154 CCCCOCCCNC(=O)NC(C)CCC 2708a_100000741246_200000211371 [0,0,1,0,0,0|3,0,0]=4 627 B16R0.154 CCCCOCCCNC(=O)NC(C)CCC 2708a_200000211371_100000741246 [0,0,1,0,0,0|3,0,0]=4 628 B16R0.154 CCCCOCCCNC(=O)NC(C)CCC 273464a_100000741246_200000211371 [0,0,1,0,0,0|3,0,0]=4 629 B16R0.154 CCCCOCCCNC(=O)NC(C)CCC 512a_100000741246_200000211371 [0,0,1,0,0,0|3,0,0]=4 630 B16R0.154 CCCCOCCCNC(=O)NC(C)CCC 512a_200000211371_100000741246 [0,0,1,0,0,0|3,0,0]=4 631 B16R0.154 CCCCOCCCNC(C)CC(=O)OCC 2230a_200000211371_100009817359 [0,0,1,0,0,0|3,0,0]=4 632 B16R0.154 CCCCOCCCOC(C)CC(=O)OCC 7a_200011215613_100009817359 [0,0,1,0,0,0|3,0,0]=4 633 B16R0.154 CCCCOCCOCC(=O)CC(C)CCC 1458a_100011216887_100011216630 [0,0,1,0,0,0|2,0,0]=3 634 B16R0.154 CCCCOCCOCC(=O)NC(C)CCC 11a_100000741246_100011216887 [0,0,1,0,0,0|3,0,0]=4 635 B16R0.154 CCCCOCCOCC(=O)NC(C)CCC 1626a_100000741246_100011216887 [0,0,1,0,0,0|3,0,0]=4 636 B16R0.154 CCCCOCCOCC(=O)NC(C)CCC 240690a_100000741246_100011216887 [0,0,1,0,0,0|3,0,0]=4 637 B16R0.154 CCCCOCCOCC(=O)NC(C)CCC 527a_100000741246_100011216887 [0,0,1,0,0,0|3,0,0]=4 638 B16R0.154 CCCS(=O)CC(=O)CCCCCCCCO 1458a_100011387404_100000033203 [0,0,1,0,0,0|3,0,0]=4 639 B16R0.154 CCNC(=O)CN(C)CCCCCCCCO 2230a_100000741943_100000033203 [0,0,1,0,0,0|3,0,0]=4 640 B16R0.154 CCNC(=O)CN(C)CCCCCCCCO 269982a_100000741943_100000033203 [0,0,1,0,0,0|3,0,0]=4 641 B16R0.154 CCOC(=O)CC(C)NCCCCCCCO 2230a_100011996573_100009817359 [0,0,1,0,0,0|3,0,0]=4 642 B16R0.154 CCOC(=O)CC(C)OCCCCCCCBr 7a_100000760002_100009817359 [0,0,1,0,0,0|3,0,0]=4 643 B16R0.154 CCOC(=O)CC(C)OCCCCCCOC 7a_200012092642_100009817359 [0,0,1,0,0,0|3,0,0]=4 644 B16R0.154 CCOC(=O)CC(C)SCCCCCCCO 62a_100000760002_100009817359 [0,0,1,0,0,0|3,0,0]=4 645 B16R0.154 CCOC(=O)CC(C)SCCCCCCCO 62a_100009817359_100000760002 [0,0,1,0,0,0|3,0,0]=4 646 B16R0.154 CCOC(=O)CC(C)SCCCCCCOC 62a_100009817359_100011998445 [0,0,1,0,0,0|3,0,0]=4 647 B16R0.154 CCOC(=O)CC(C)SCCCCCCOC 62a_100011998445_100009817359 [0,0,1,0,0,0|3,0,0]=4 648 B16R0.154 CCOC(=O)CN(C)CCCCCCCCO 2230a_100000220588_100000033203 [0,0,1,0,0,0|3,0,0]=4 649 B16R0.154 CCOC(=O)C[C@@H](C)OCCCCCCCO 7a_100009816390_100000760002 [0,0,1,0,0,0|3,0,0]=4 650 B16R0.154 CCOC(=O)C[C@@H](C)OCCCCCCOC 7a_100009816390_100011998445 [0,0,1,0,0,0|3,0,0]=4 651 B16R0.154 CCSC(C)CC(=O)CCCCCCCCO 1458a_200011311441_100000033203 [0,0,1,0,0,0|2,0,0]=3 652 B16R0.154 CCSC(C)CC(=O)NCCCCCCCO 240690a_100011996573_200011311441 [0,0,1,0,0,0|3,0,0]=4 653 B16R0.154 COC[C@@H](C)NC(=O)CCCCCCCCO 240690a_100000764878_100000015970 [0,0,1,0,0,0|3,0,0]=4 654 B16R0.154 C[C@H](CCO)NC(=O)CCCCCCCCO 240690a_100000706166_100000015970 [0,0,1,0,0,0|3,0,0]=4 655 B16R0.194 C#CCCCCC(=O)NC(C)CCCCCC 11a_100000210919_100000696528 [0,0,1,0,0,0|1,0,2]=4 656 B16R0.194 C#CCCCCC(=O)NC(C)CCCCCC 1626a_100000210919_100000696528 [0,0,1,0,0,0|1,0,2]=4 657 B16R0.194 C#CCCCCC(=O)NC(C)CCCCCC 240690a_100000210919_100000696528 [0,0,1,0,0,0|1,0,2]=4 658 B16R0.194 C#CCCCCC(=O)NC(C)CCCCCC 527a_100000210919_100000696528 [0,0,1,0,0,0|1,0,2]=4 659 B16R0.194 C=CCCCCC(=O)NC(C)CCCCCC 11a_100000210919_100011215552 [0,0,1,0,0,0|1,0,2]=4 660 B16R0.194 C=CCCCCC(=O)NC(C)CCCCCC 1626a_100000210919_100011215552 [0,0,1,0,0,0|1,0,2]=4 661 B16R0.194 C=CCCCCC(=O)NC(C)CCCCCC 240690a_100000210919_100011215552 [0,0,1,0,0,0|1,0,2]=4 662 B16R0.194 C=CCCCCC(=O)NC(C)CCCCCC 527a_100000210919_100011215552 [0,0,1,0,0,0|1,0,2]=4 663 B16R0.194 CCC/C=C/CC(=O)NC(C)CCCCCC 11a_100000210919_200016266809 [0,0,1,0,0,0|1,0,2]=4 664 B16R0.194 CCC/C=C/CC(=O)NC(C)CCCCCC 1626a_100000210919_200016266809 [0,0,1,0,0,0|1,0,2]=4 665 B16R0.194 CCC/C=C/CC(=O)NC(C)CCCCCC 240690a_100000210919_200016266809 [0,0,1,0,0,0|1,0,2]=4 666 B16R0.194 CCC/C=C/CC(=O)NC(C)CCCCCC 527a_100000210919_200016266809 [0,0,1,0,0,0|1,0,2]=4 667 B16R0.194 CCCCC=CC(=O)NC(C)CCCCCC 11a_100000210919_100016266645 [0,0,1,0,0,0|1,0,2]=4 668 B16R0.194 CCCCC=CC(=O)NC(C)CCCCCC 1626a_100000210919_100016266645 [0,0,1,0,0,0|1,0,2]=4 669 B16R0.194 CCCCC=CC(=O)NC(C)CCCCCC 240690a_100000210919_100016266645 [0,0,1,0,0,0|1,0,2]=4 670 B16R0.194 CCCCCCC(=O)CC(=O)NCCCCC 1458a_100102632555_100000230301 [0,0,1,0,0,0|2,0,1]=4 671 B16R0.194 CCCCCCC(=O)NC(C)CCCCCC 11a_100000210919_100102632555 [0,0,1,0,0,0|1,0,0]=2 672 B16R0.194 CCCCCCC(=O)NC(C)CCCCCC 1626a_100000210919_100102632555 [0,0,1,0,0,0|1,0,0]=2 673 B16R0.194 CCCCCCC(=O)NC(C)CCCCCC 240690a_100000210919_100102632555 [0,0,1,0,0,0|1,0,0]=2 674 B16R0.194 CCCCCCC(=O)NC(C)CCCCCC 527a_100000210919_100102632555 [0,0,1,0,0,0|1,0,0]=2 675 B16R0.194 CCCCCCC(C)NC(=O)CCCCCO 240690a_100000210919_100102619762 [0,0,1,0,0,0|2,0,0]=3 676 B16R0.194 CCCCCCC(C)NC(=O)CCOCCO 1626a_100000210919_100011229844 [0,0,1,0,0,0|3,0,0]=4 677 B16R0.194 CCCCCCC(C)NC(=O)CCOCCO 240690a_100000210919_100011229844 [0,0,1,0,0,0|3,0,0]=4 678 B16R0.194 CCCCCCC(C)NC(=O)CNCCCC 2230a_100000102301_100000230341 [0,0,1,0,0,0|2,0,0]=3 679 B16R0.194 CCCCCCC(C)NC(=O)CNCCCC 7a_106832991798_100000230341 [0,0,1,0,0,0|2,0,0]=3 680 B16R0.194 CCCCCCC(C)NC(=O)CNCCCF 2230a_100015189416_100000230341 [0,0,1,0,0,0|3,0,0]=4 681 B16R0.194 CCCCCCC(C)NC(=O)CNCCCF 34a_100015189416_100000230341 [0,0,1,0,0,0|3,0,0]=4 682 B16R0.194 CCCCCCC(C)NC(=O)CNCCOC 2230a_100000209980_100000230341 [0,0,1,0,0,0|3,0,0]=4 683 B16R0.194 CCCCCCC(C)NC(=O)CNCCSC 2230a_100020590264_100000230341 [0,0,1,0,0,0|3,0,0]=4 684 B16R0.194 CCCCCCC(C)NC(=O)COCCCBr 34a_100011217188_100000230341 [0,0,1,0,0,0|3,0,0]=4 685 B16R0.194 CCCCCCC(C)NC(=O)COCCCC 11a_100000210919_100000757543 [0,0,1,0,0,0|2,0,0]=3 686 B16R0.194 CCCCCCC(C)NC(=O)COCCCC 1626a_100000210919_100000757543 [0,0,1,0,0,0|2,0,0]=3 687 B16R0.194 CCCCCCC(C)NC(=O)COCCCC 240690a_100000210919_100000757543 [0,0,1,0,0,0|2,0,0]=3 688 B16R0.194 CCCCCCC(C)NC(=O)COCCCC 34a_100000210227_100000230341 [0,0,1,0,0,0|2,0,0]=3 689 B16R0.194 CCCCCCC(C)NC(=O)COCCCC 527a_100000210919_100000757543 [0,0,1,0,0,0|2,0,0]=3 690 B16R0.194 CCCCCCC(C)NC(=O)COCCCC 7a_100000210227_100000230341 [0,0,1,0,0,0|2,0,0]=3 691 B16R0.194 CCCCCCC(C)NC(=O)COCCCCl 34a_100000230001_100000230341 [0,0,1,0,0,0|3,0,0]=4 692 B16R0.194 CCCCCCC(C)NC(=O)COCCCF 34a_100000759539_100000230341 [0,0,1,0,0,0|3,0,0]=4 693 B16R0.194 CCCCCCC(C)NC(=O)COCCCN 34a_100000182051_100000230341 [0,0,1,0,0,0|3,0,0]=4 694 B16R0.194 CCCCCCC(C)NC(=O)COCCOC 11a_100000210919_100000211095 [0,0,1,0,0,0|3,0,0]=4 695 B16R0.194 CCCCCCC(C)NC(=O)COCCOC 1626a_100000210919_100000211095 [0,0,1,0,0,0|3,0,0]=4 696 B16R0.194 CCCCCCC(C)NC(=O)COCCOC 240690a_100000210919_100000211095 [0,0,1,0,0,0|3,0,0]=4 697 B16R0.194 CCCCCCC(C)NC(=O)COCCOC 34a_100000210237_100000230341 [0,0,1,0,0,0|3,0,0]=4 698 B16R0.194 CCCCCCC(C)NC(=O)COCCOC 527a_100000210919_100000211095 [0,0,1,0,0,0|3,0,0]=4 699 B16R0.194 CCCCCCC(C)NC(=O)COCCSC 34a_100000230434_100000230341 [0,0,1,0,0,0|3,0,0]=4 700 B16R0.194 CCCCCCC(C)NC(=O)COCCSC 7a_100000230434_100000230341 [0,0,1,0,0,0|3,0,0]=4 701 B16R0.194 CCCCCCC(C)NC(=O)CSCCCC 11a_100000210919_100000191162 [0,0,1,0,0,0|2,0,0]=3 702 B16R0.194 CCCCCCC(C)NC(=O)CSCCCC 1626a_100000210919_100000191162 [0,0,1,0,0,0|2,0,0]=3 703 B16R0.194 CCCCCCC(C)NC(=O)CSCCCC 240690a_100000210919_100000191162 [0,0,1,0,0,0|2,0,0]=3 704 B16R0.194 CCCCCCC(C)NC(=O)CSCCCC 527a_100000210919_100000191162 [0,0,1,0,0,0|2,0,0]=3 705 B16R0.194 CCCCCCC(C)NC(=O)CSCCCC 62a_100000210211_100000230341 [0,0,1,0,0,0|2,0,0]=3 706 B16R0.194 CCCCCCC(C)NC(=O)CSCCCC 62a_100000230341_100000210210 [0,0,1,0,0,0|2,0,0]=3 707 B16R0.194 CCCCCCC(C)NC(=O)CSCCCF 62a_100000230341_100011934791 [0,0,1,0,0,0|3,0,0]=4 708 B16R0.194 CCCCCCC(C)NC(=O)CSCCCF 62a_100011934791_100000230341 [0,0,1,0,0,0|3,0,0]=4 709 B16R0.194 CCCCCCC(C)NC(=O)CSCCCO 62a_100000230341_100011215043 [0,0,1,0,0,0|3,0,0]=4 710 B16R0.194 CCCCCCC(C)NC(=O)CSCCCO 62a_100011215043_100000230341 [0,0,1,0,0,0|3,0,0]=4 711 B16R0.194 CCCCCCC(C)NC(=O)CSCCOC 62a_100000230341_100000233755 [0,0,1,0,0,0|3,0,0]=4 712 B16R0.194 CCCCCCC(C)NC(=O)CSCCOC 62a_100000233755_100000230341 [0,0,1,0,0,0|3,0,0]=4 713 B16R0.194 CCCCCCC(C)NC(=O)CSCCSC 62a_100000212216_100000230341 [0,0,1,0,0,0|3,0,0]=4 714 B16R0.194 CCCCCCC(C)NC(=O)CSCCSC 62a_100000230341_100000751147 [0,0,1,0,0,0|3,0,0]=4 715 B16R0.194 CCCCCCC(C)NC(=O)CSCOCC 62a_100000230341_100000739092 [0,0,1,0,0,0|3,0,0]=4 716 B16R0.194 CCCCCCC(C)NC(=O)CSCOCC 62a_100000739092_100000230341 [0,0,1,0,0,0|3,0,0]=4 717 B16R0.194 CCCCCCC(C)NC(=O)NCCCCC 2708a_100000209983_100000210919 [0,0,1,0,0,0|2,0,0]=3 718 B16R0.194 CCCCCCC(C)NC(=O)NCCCCC 2708a_100000210919_100000209983 [0,0,1,0,0,0|2,0,0]=3 719 B16R0.194 CCCCCCC(C)NC(=O)NCCCCC 273464a_100000209983_100000210919 [0,0,1,0,0,0|2,0,0]=3 720 B16R0.194 CCCCCCC(C)NC(=O)NCCCCC 273464a_100000210919_100000209983 [0,0,1,0,0,0|2,0,0]=3 721 B16R0.194 CCCCCCC(C)NC(=O)NCCCCC 512a_100000209983_100000210919 [0,0,1,0,0,0|2,0,0]=3 722 B16R0.194 CCCCCCC(C)NC(=O)NCCCCC 512a_100000210919_100000209983 [0,0,1,0,0,0|2,0,0]=3 723 B16R0.194 CCCCCCC(C)NC(=O)NCCCCO 2708a_100000210919_100000750430 [0,0,1,0,0,0|3,0,0]=4 724 B16R0.194 CCCCCCC(C)NC(=O)NCCCCO 2708a_100000750430_100000210919 [0,0,1,0,0,0|3,0,0]=4 725 B16R0.194 CCCCCCC(C)NC(=O)NCCCCO 273464a_100000210919_100000750430 [0,0,1,0,0,0|3,0,0]=4 726 B16R0.194 CCCCCCC(C)NC(=O)NCCCCO 273464a_100000750430_100000210919 [0,0,1,0,0,0|3,0,0]=4 727 B16R0.194 CCCCCCC(C)NC(=O)NCCCCO 512a_100000210919_100000750430 [0,0,1,0,0,0|3,0,0]=4 728 B16R0.194 CCCCCCC(C)NC(=O)NCCCCO 512a_100000750430_100000210919 [0,0,1,0,0,0|3,0,0]=4 729 B16R0.194 CCCCCCC(C)NC(=O)NCCCOC 2708a_100000210919_100150723488 [0,0,1,0,0,0|3,0,0]=4 730 B16R0.194 CCCCCCC(C)NC(=O)NCCCOC 2708a_100150723488_100000210919 [0,0,1,0,0,0|3,0,0]=4 731 B16R0.194 CCCCCCC(C)NC(=O)NCCCOC 273464a_100000210919_100150723488 [0,0,1,0,0,0|3,0,0]=4 732 B16R0.194 CCCCCCC(C)NC(=O)NCCCOC 273464a_100150723488_100000210919 [0,0,1,0,0,0|3,0,0]=4 733 B16R0.194 CCCCCCC(C)NC(=O)NCCCOC 512a_100000210919_100150723488 [0,0,1,0,0,0|3,0,0]=4 734 B16R0.194 CCCCCCC(C)NC(=O)NCCCSC 2708a_100000210919_100000749238 [0,0,1,0,0,0|3,0,0]=4 735 B16R0.194 CCCCCCC(C)NC(=O)NCCCSC 2708a_100000749238_100000210919 [0,0,1,0,0,0|3,0,0]=4 736 B16R0.194 CCCCCCC(C)NC(=O)NCCCSC 273464a_100000210919_100000749238 [0,0,1,0,0,0|3,0,0]=4 737 B16R0.194 CCCCCCC(C)NC(=O)NCCCSC 273464a_100000749238_100000210919 [0,0,1,0,0,0|3,0,0]=4 738 B16R0.194 CCCCCCC(C)NC(=O)NCCCSC 512a_100000210919_100000749238 [0,0,1,0,0,0|3,0,0]=4 739 B16R0.194 CCCCCCC(C)NC(=O)NCCCSC 512a_100000749238_100000210919 [0,0,1,0,0,0|3,0,0]=4 740 B16R0.194 CCCCCCC(C)NC(=O)NCCOCC 2708a_100000210919_100011200944 [0,0,1,0,0,0|3,0,0]=4 741 B16R0.194 CCCCCCC(C)NC(=O)NCCOCC 2708a_100011200944_100000210919 [0,0,1,0,0,0|3,0,0]=4 742 B16R0.194 CCCCCCC(C)NC(=O)NCCOCC 273464a_100000210919_102516460346 [0,0,1,0,0,0|3,0,0]=4 743 B16R0.194 CCCCCCC(C)NC(=O)NCCOCC 273464a_102516460346_100000210919 [0,0,1,0,0,0|3,0,0]=4 744 B16R0.194 CCCCCCC(C)NC(=O)NCCOCC 512a_100000210919_100011200944 [0,0,1,0,0,0|3,0,0]=4 745 B16R0.194 CCCCCCC(C)NC(=O)NCCOCC 512a_100011200944_100000210919 [0,0,1,0,0,0|3,0,0]=4 746 B16R0.194 CCCCCCC(C)NC(=O)NCCSCC 2708a_100000106463_100000210919 [0,0,1,0,0,0|3,0,0]=4 747 B16R0.194 CCCCCCC(C)NC(=O)NCCSCC 2708a_100000210919_100000106463 [0,0,1,0,0,0|3,0,0]=4 748 B16R0.194 CCCCCCC(C)NC(=O)NCCSCC 273464a_100000106463_100000210919 [0,0,1,0,0,0|3,0,0]=4 749 B16R0.194 CCCCCCC(C)NC(=O)NCCSCC 273464a_100000210919_100000106463 [0,0,1,0,0,0|3,0,0]=4 750 B16R0.194 CCCCCCC(C)NC(=O)NCCSCC 512a_100000106463_100000210919 [0,0,1,0,0,0|3,0,0]=4 751 B16R0.194 CCCCCCC(C)NC(=O)NCCSCC 512a_100000210919_100000106463 [0,0,1,0,0,0|3,0,0]=4 752 B16R0.194 CCCCCCC(C)NC(=O)NNCCCC 273464a_100000210919_100025702795 [0,0,1,0,0,0|3,0,0]=4 753 B16R0.194 CCCCCCC(C)NC(=O)NNCCCC 512a_100000210919_100025702795 [0,0,1,0,0,0|3,0,0]=4 754 B16R0.194 CCCCCCC(C)NC(=O)NNCCCC 512a_100025702795_100000210919 [0,0,1,0,0,0|3,0,0]=4 755 B16R0.194 CCCCCCC(C)NC(C)CCCCCC 2230a_100000210919_100011215978 [0,0,1,0,0,0|2,0,1]=4 756 B16R0.194 CCCCCCC(C)NC(C)CCCCCC 270004a_100000210919_100000210826 [0,0,1,0,0,0|2,0,1]=4 757 B16R0.194 CCCCCCC(C)NC(C)CCCCCC 34a_100000210919_100011215978 [0,0,1,0,0,0|2,0,1]=4 758 B16R0.194 CCCCCCC(C)OC(C)CCCCCC 34a_100000210265_100011215978 [0,0,1,0,0,0|2,0,1]=4 759 B16R0.194 CCCCCCC(C)OC(C)CCCCCC 7a_100000210265_100011215978 [0,0,1,0,0,0|2,0,1]=4 760 B16R0.194 CCCCCCN(C)CC(=O)NCCCCC 2230a_106256046315_100000230301 [0,0,1,0,0,0|2,0,0]=3 761 B16R0.194 CCCCCCN(C)CC(=O)NCCCCC 269982a_106256046315_100000230301 [0,0,1,0,0,0|2,0,0]=3 762 B16R0.194 CCCCCCN(C)CC(=O)NCCCOC 2230a_100000168148_100000210314 [0,0,1,0,0,0|3,0,0]=4 763 B16R0.194 CCCCCCN(C)CC(=O)NCCCOC 2230a_106256046315_100000183178 [0,0,1,0,0,0|3,0,0]=4 764 B16R0.194 CCCCCCN(C)CC(=O)NCCCOC 269982a_100000168148_100000210757 [0,0,1,0,0,0|3,0,0]=4 765 B16R0.194 CCCCCCN(C)CC(=O)NCCCOC 269982a_106256046315_100000183178 [0,0,1,0,0,0|3,0,0]=4 766 B16R0.194 CCCCCCN(C)CC(=O)OCCOCC 2230a_106256046315_200000101388 [0,0,1,0,0,0|3,0,0]=4 767 B16R0.194 CCCCCCN(C)CC(=O)OCCOCC 269982a_106256046315_200000101388 [0,0,1,0,0,0|3,0,0]=4 768 B16R0.194 CCCCCNC(=O)CN(C)CCCCCO 2230a_100000722520_100000230301 [0,0,1,0,0,0|3,0,0]=4 769 B16R0.194 CCCCCNC(=O)CN(C)CCCCCO 269982a_100000722520_100000230301 [0,0,1,0,0,0|3,0,0]=4 770 B16R0.274 C#CCCCCCCCCCCOCC(C)C 34a_100000054667_100000210624 [0,0,1,0,0,0|2,0,1]=4 771 B16R0.274 C#CCCCCCCCCCCOCC(C)C 7a_100000054667_100000210760 [0,0,1,0,0,0|2,0,1]=4 772 B16R0.274 C#CCCCCCCCCCOCCC(=O)C 7a_100000034437_100000053229 [0,0,1,0,0,0|1,0,2]=4 773 B16R0.274 C#CCCCCCCCCCOCCC(C)C 34a_100000034437_100000210312 [0,0,1,0,0,0|2,0,1]=4 774 B16R0.274 C#CCCCCCCCCCOCCC(C)C 7a_100000034437_100000210626 [0,0,1,0,0,0|2,0,1]=4 775 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 34a_100000065265_100000685027 [0,0,1,0,0,0|1,0,2]=4 776 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 7a_100000065265_100011215641 [0,0,1,0,0,0|1,0,2]=4 777 B16R0.274 C#CCCCCCCCCOCCCC(C)C 34a_100000065265_100011214892 [0,0,1,0,0,0|2,0,1]=4 778 B16R0.274 C#CCCCCCCCCOCCCC(C)C 7a_100000065265_100011214892 [0,0,1,0,0,0|2,0,1]=4 779 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 34a_100000054614_100009817362 [0,0,1,0,0,0|1,0,2]=4 780 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 7a_100000054614_100000735457 [0,0,1,0,0,0|1,0,2]=4 781 B16R0.274 C#CCCCCCCCOCCCCC(C)C 34a_100000054614_100011216152 [0,0,1,0,0,0|2,0,1]=4 782 B16R0.274 C#CCCCCCCCOCCCCC(C)C 34a_100011214890_100153394163 [0,0,1,0,0,0|2,0,1]=4 783 B16R0.274 C#CCCCCCCCOCCCCC(C)C 7a_100000054614_100011216152 [0,0,1,0,0,0|2,0,1]=4 784 B16R0.274 C#CCCCCCCCOCCCCC(C)C 7a_100011214890_100153394163 [0,0,1,0,0,0|2,0,1]=4 785 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100000735457_100153394163 [0,0,1,0,0,0|1,0,2]=4 786 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100153394163_100000735457 [0,0,1,0,0,0|1,0,2]=4 787 B16R0.274 C#CCCCCCCCSCCCCC(C)C 62a_100011216152_100153394163 [0,0,1,0,0,0|2,0,1]=4 788 B16R0.274 C#CCCCCCCCSCCCCC(C)C 62a_100153394163_100011216152 [0,0,1,0,0,0|2,0,1]=4 789 B16R0.274 C#CCCCCCCNCCCCCC(C)C 2230a_100011290863_100012276617 [0,0,1,0,0,0|2,0,1]=4 790 B16R0.274 C#CCCCCCCNCCCCCC(C)C 34a_100011290863_100012276617 [0,0,1,0,0,0|2,0,1]=4 791 B16R0.274 C#CCCCCCCOCCCCCC(C)C 34a_100011217361_100000210682 [0,0,1,0,0,0|2,0,1]=4 792 B16R0.274 C#CCCCCCCOCCCCCC(C)C 34a_100011995859_100012276617 [0,0,1,0,0,0|2,0,1]=4 793 B16R0.274 C#CCCCCCCOCCCCCC(C)C 7a_100011217361_100000210682 [0,0,1,0,0,0|2,0,1]=4 794 B16R0.274 C#CCCCCCCOCCCCCC(C)C 7a_100011995859_100012276617 [0,0,1,0,0,0|2,0,1]=4 795 B16R0.274 C#CCCCCCCSCCCCCC(C)C 62a_100000210682_100012276617 [0,0,1,0,0,0|2,0,1]=4 796 B16R0.274 C#CCCCCCCSCCCCCC(C)C 62a_100012276617_100000210682 [0,0,1,0,0,0|2,0,1]=4 797 B16R0.274 C#CCCCCCNCCCCCCC(C)C 2230a_100000211014_100012094781 [0,0,1,0,0,0|2,0,1]=4 798 B16R0.274 C#CCCCCCNCCCCCCC(C)C 34a_100000211014_100012094781 [0,0,1,0,0,0|2,0,1]=4 799 B16R0.274 C#CCCCCOCCCCCCCC(C)C 34a_200000210741_100010269958 [0,0,1,0,0,0|2,0,1]=4 800 B16R0.274 C#CCCCCOCCCCCCCC(C)C 7a_200000210741_100010269958 [0,0,1,0,0,0|2,0,1]=4 801 B16R0.274 C=C(Br)CCOCCCCCCCCCCC 34a_100009813270_100011215454 [0,0,1,0,0,0|2,0,1]=4 802 B16R0.274 C=C(C)CCNCCCCCCCCCCC 2230a_200011215754_100000730704 [0,0,1,0,0,0|2,0,0]=3 803 B16R0.274 C=C(C)CCNCCCCCCCCCCC 34a_200011215754_100000730704 [0,0,1,0,0,0|2,0,0]=3 804 B16R0.274 C=C(C)CCNCCCCCCCCCCO 2230a_100000066964_100000730704 [0,0,1,0,0,0|3,0,0]=4 805 B16R0.274 C=C(C)CCNCCCCCCCCCCO 34a_100000066964_100000730704 [0,0,1,0,0,0|3,0,0]=4 806 B16R0.274 C=C(C)CCOCCCCCCCCCCBr 34a_100009813290_100000730704 [0,0,1,0,0,0|3,0,0]=4 807 B16R0.274 C=C(C)CCOCCCCCCCCCCBr 7a_100009813290_100000730704 [0,0,1,0,0,0|3,0,0]=4 808 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000210809_100000730704 [0,0,1,0,0,0|2,0,0]=3 809 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000764851_100011215454 [0,0,1,0,0,0|2,0,0]=3 810 B16R0.274 C=C(C)CCOCCCCCCCCCCC 7a_100000210809_100000730704 [0,0,1,0,0,0|2,0,0]=3 811 B16R0.274 C=C(C)CCOCCCCCCCCCCCl 34a_200000033068_100000730704 [0,0,1,0,0,0|3,0,0]=4 812 B16R0.274 C=C(C)CCOCCCCCCCCCCCl 7a_200000033068_100000730704 [0,0,1,0,0,0|3,0,0]=4 813 B16R0.274 C=C(C)CCOCCCCCCCCCCN 34a_100000066964_100000730704 [0,0,1,0,0,0|3,0,0]=4 814 B16R0.274 C=C(C)CCOCCCCCCCCCCO 34a_100000764851_100009813290 [0,0,1,0,0,0|3,0,0]=4 815 B16R0.274 C=C(C)CCSCCCCCCCCCCO 62a_100000730704_200000033068 [0,0,1,0,0,0|3,0,0]=4 816 B16R0.274 C=C(C)CCSCCCCCCCCCCO 62a_100009813290_100000730704 [0,0,1,0,0,0|3,0,0]=4 817 B16R0.274 C=C(C)CNCCCCCCCCCCCC 2230a_100000210451_100000748629 [0,0,1,0,0,0|2,0,0]=3 818 B16R0.274 C=C(C)CNCCCCCCCCCCCC 34a_100000210451_100000748629 [0,0,1,0,0,0|2,0,0]=3 819 B16R0.274 C=C(C)COCCCCCCCCCCCBr 34a_100009812471_100000748629 [0,0,1,0,0,0|3,0,0]=4 820 B16R0.274 C=C(C)COCCCCCCCCCCCBr 7a_100009812471_100000748629 [0,0,1,0,0,0|3,0,0]=4 821 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210245_100000759014 [0,0,1,0,0,0|2,0,0]=3 822 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210810_100000748629 [0,0,1,0,0,0|2,0,0]=3 823 B16R0.274 C=C(C)COCCCCCCCCCCCC 7a_100000210810_100000748629 [0,0,1,0,0,0|2,0,0]=3 824 B16R0.274 C=C(C)COCCCCCCCCCCCO 34a_100000210245_100009812471 [0,0,1,0,0,0|3,0,0]=4 825 B16R0.274 C=C(C)COCCCCCCCCCOCC 34a_100009875440_100000748629 [0,0,1,0,0,0|3,0,0]=4 826 B16R0.274 C=C(C)COCCCCCCCCCOCC 7a_100009875440_100000748629 [0,0,1,0,0,0|3,0,0]=4 827 B16R0.274 C=C(C)CSCCCCCCCCCCCO 62a_100009812471_100000211660 [0,0,1,0,0,0|3,0,0]=4 828 B16R0.274 C=C(F)CNCCCCCCCCCCCC 2230a_100000210451_100009893438 [0,0,1,0,0,0|2,0,1]=4 829 B16R0.274 C=C(F)CNCCCCCCCCCCCC 34a_100000210451_100009893438 [0,0,1,0,0,0|2,0,1]=4 830 B16R0.274 C=C(F)COCCCCCCCCCCCC 34a_100000210810_100009893438 [0,0,1,0,0,0|2,0,1]=4 831 B16R0.274 C=C(F)COCCCCCCCCCCCC 34a_200010262243_100000759014 [0,0,1,0,0,0|2,0,1]=4 832 B16R0.274 C=C(F)COCCCCCCCCCCCC 7a_100000210810_100000042424 [0,0,1,0,0,0|2,0,1]=4 833 B16R0.274 C=CCCCCCCCCCCCNC(C)C 2230a_100138425928_102130925996 [0,0,1,0,0,0|2,0,0]=3 834 B16R0.274 C=CCCCCCCCCCCCNC(C)C 34a_100138425928_102130925996 [0,0,1,0,0,0|2,0,0]=3 835 B16R0.274 C=CCCCCCCCCCCCOC(C)C 34a_100000212225_102130925996 [0,0,1,0,0,0|2,0,0]=3 836 B16R0.274 C=CCCCCCCCCCCNCC(C)C 2230a_100000210953_100011093070 [0,0,1,0,0,0|2,0,0]=3 837 B16R0.274 C=CCCCCCCCCCCNCC(C)C 34a_100000210953_100011093070 [0,0,1,0,0,0|2,0,0]=3 838 B16R0.274 C=CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011093070 [0,0,1,0,0,0|3,0,0]=4 839 B16R0.274 C=CCCCCCCCCCCNCC(C)O 34a_100000210904_100011093070 [0,0,1,0,0,0|3,0,0]=4 840 B16R0.274 C=CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011093070 [0,0,1,0,0,0|1,0,2]=4 841 B16R0.274 C=CCCCCCCCCCCOCC(C)Br 34a_100012180447_100011093070 [0,0,1,0,0,0|3,0,0]=4 842 B16R0.274 C=CCCCCCCCCCCOCC(C)C 34a_100000210257_100011093070 [0,0,1,0,0,0|2,0,0]=3 843 B16R0.274 C=CCCCCCCCCCCOCC(C)F 34a_100015925927_100011093070 [0,0,1,0,0,0|3,0,0]=4 844 B16R0.274 C=CCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011093070 [0,0,1,0,0,0|3,0,0]=4 845 B16R0.274 C=CCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011093070 [0,0,1,0,0,0|3,0,0]=4 846 B16R0.274 C=CCCCCCCCCCCSCC(C)O 62a_100011093070_100011218427 [0,0,1,0,0,0|3,0,0]=4 847 B16R0.274 C=CCCCCCCCCCCSCC(C)O 62a_100011218427_100011093070 [0,0,1,0,0,0|3,0,0]=4 848 B16R0.274 C=CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011093070 [0,0,1,0,0,0|3,0,0]=4 849 B16R0.274 C=CCCCCCCCCCCSC[C@@H](C)O 62a_100011093070_100009817552 [0,0,1,0,0,0|3,0,0]=4 850 B16R0.274 C=CCCCCCCCCCNCCC(C)C 2230a_100000081888_100000210312 [0,0,1,0,0,0|2,0,0]=3 851 B16R0.274 C=CCCCCCCCCCNCCC(C)C 269862a_100000081888_100000185833 [0,0,1,0,0,0|2,0,0]=3 852 B16R0.274 C=CCCCCCCCCCNCCC(C)C 34a_100000081888_100000210312 [0,0,1,0,0,0|2,0,0]=3 853 B16R0.274 C=CCCCCCCCCCNCCC(C)O 2230a_100000081888_100012276601 [0,0,1,0,0,0|3,0,0]=4 854 B16R0.274 C=CCCCCCCCCCNCCC(C)O 2230a_200000755665_100009814027 [0,0,1,0,0,0|3,0,0]=4 855 B16R0.274 C=CCCCCCCCCCNCCC(C)O 34a_100000081888_100012276601 [0,0,1,0,0,0|3,0,0]=4 856 B16R0.274 C=CCCCCCCCCCNCOC(C)C 2230a_100000081888_100000709892 [0,0,1,0,0,0|3,0,0]=4 857 B16R0.274 C=CCCCCCCCCCNCOC(C)C 34a_100000081888_100000709892 [0,0,1,0,0,0|3,0,0]=4 858 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 34a_100000759926_100009814027 [0,0,1,0,0,0|1,0,2]=4 859 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000038209_100000053229 [0,0,1,0,0,0|1,0,2]=4 860 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000759926_100009814027 [0,0,1,0,0,0|1,0,2]=4 861 B16R0.274 C=CCCCCCCCCCOCCC(C)Br 34a_100009893172_100009814027 [0,0,1,0,0,0|3,0,0]=4 862 B16R0.274 C=CCCCCCCCCCOCCC(C)C 34a_100000038209_100000210312 [0,0,1,0,0,0|2,0,0]=3 863 B16R0.274 C=CCCCCCCCCCOCCC(C)C 34a_100000210254_100009814027 [0,0,1,0,0,0|2,0,0]=3 864 B16R0.274 C=CCCCCCCCCCOCCC(C)C 7a_100000038209_100000210626 [0,0,1,0,0,0|2,0,0]=3 865 B16R0.274 C=CCCCCCCCCCOCCC(C)C 7a_100000210254_100009814027 [0,0,1,0,0,0|2,0,0]=3 866 B16R0.274 C=CCCCCCCCCCOCCC(C)O 34a_100000038209_100012276601 [0,0,1,0,0,0|3,0,0]=4 867 B16R0.274 C=CCCCCCCCCCOCCC(C)O 7a_100000038209_100012276601 [0,0,1,0,0,0|3,0,0]=4 868 B16R0.274 C=CCCCCCCCCCOCCN(C)C 7a_100000038209_100000755713 [0,0,1,0,0,0|3,0,0]=4 869 B16R0.274 C=CCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100009814027 [0,0,1,0,0,0|3,0,0]=4 870 B16R0.274 C=CCCCCCCCCCOCOC(C)C 34a_100000038209_100000709892 [0,0,1,0,0,0|3,0,0]=4 871 B16R0.274 C=CCCCCCCCCCSCCC(=O)C 62a_100000053229_100009814027 [0,0,1,0,0,0|1,0,2]=4 872 B16R0.274 C=CCCCCCCCCCSCCC(=O)C 62a_100009814027_100000053229 [0,0,1,0,0,0|1,0,2]=4 873 B16R0.274 C=CCCCCCCCCCSCCC(C)O 62a_100009814027_100012276601 [0,0,1,0,0,0|3,0,0]=4 874 B16R0.274 C=CCCCCCCCCCSCCC(C)O 62a_100012276601_100009814027 [0,0,1,0,0,0|3,0,0]=4 875 B16R0.274 C=CCCCCCCCCCSCCN(C)C 62a_100009814027_100000755713 [0,0,1,0,0,0|3,0,0]=4 876 B16R0.274 C=CCCCCCCCCCSCOC(C)C 62a_100000709892_100009814027 [0,0,1,0,0,0|3,0,0]=4 877 B16R0.274 C=CCCCCCCCCCSCOC(C)C 62a_100009814027_100000709892 [0,0,1,0,0,0|3,0,0]=4 878 B16R0.274 C=CCCCCCCCCNCCCC(C)C 2230a_200000737386_100011933949 [0,0,1,0,0,0|2,0,0]=3 879 B16R0.274 C=CCCCCCCCCNCCCC(C)C 34a_200000737386_100011933949 [0,0,1,0,0,0|2,0,0]=3 880 B16R0.274 C=CCCCCCCCCNCCOC(C)C 2230a_100000701111_100011933949 [0,0,1,0,0,0|3,0,0]=4 881 B16R0.274 C=CCCCCCCCCNCCOC(C)C 34a_100000701111_100011933949 [0,0,1,0,0,0|3,0,0]=4 882 B16R0.274 C=CCCCCCCCCNCCSC(C)C 2230a_100000731138_100011933949 [0,0,1,0,0,0|3,0,0]=4 883 B16R0.274 C=CCCCCCCCCNCCSC(C)C 34a_100000731138_100011933949 [0,0,1,0,0,0|3,0,0]=4 884 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011933949 [0,0,1,0,0,0|1,0,2]=4 885 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100011215194_100000685027 [0,0,1,0,0,0|1,0,2]=4 886 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100000759063_100011933949 [0,0,1,0,0,0|1,0,2]=4 887 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100011215194_100011215641 [0,0,1,0,0,0|1,0,2]=4 888 B16R0.274 C=CCCCCCCCCOCCCC(C)C 34a_100000210774_100011933949 [0,0,1,0,0,0|2,0,0]=3 889 B16R0.274 C=CCCCCCCCCOCCCC(C)C 34a_100011215194_100011214892 [0,0,1,0,0,0|2,0,0]=3 890 B16R0.274 C=CCCCCCCCCOCCCC(C)C 7a_100000210774_100011933949 [0,0,1,0,0,0|2,0,0]=3 891 B16R0.274 C=CCCCCCCCCOCCCC(C)C 7a_100011215194_100011214892 [0,0,1,0,0,0|2,0,0]=3 892 B16R0.274 C=CCCCCCCCCOCCCC(C)O 34a_100011215194_200000718107 [0,0,1,0,0,0|3,0,0]=4 893 B16R0.274 C=CCCCCCCCCOCCCC(C)O 7a_100011215194_200000718107 [0,0,1,0,0,0|3,0,0]=4 894 B16R0.274 C=CCCCCCCCCOCCCN(C)C 7a_100011215194_100000757444 [0,0,1,0,0,0|3,0,0]=4 895 B16R0.274 C=CCCCCCCCCOCCNC(C)C 34a_100000224655_100011933949 [0,0,1,0,0,0|3,0,0]=4 896 B16R0.274 C=CCCCCCCCCOCCOC(C)C 34a_100000211219_100011933949 [0,0,1,0,0,0|3,0,0]=4 897 B16R0.274 C=CCCCCCCCCOCCOC(C)C 34a_100011215194_100000211751 [0,0,1,0,0,0|3,0,0]=4 898 B16R0.274 C=CCCCCCCCCOCCOC(C)C 7a_100000211219_100011933949 [0,0,1,0,0,0|3,0,0]=4 899 B16R0.274 C=CCCCCCCCCOCCOC(C)C 7a_100011215194_100000211751 [0,0,1,0,0,0|3,0,0]=4 900 B16R0.274 C=CCCCCCCCCOCCSC(C)C 34a_100011215194_100000730970 [0,0,1,0,0,0|3,0,0]=4 901 B16R0.274 C=CCCCCCCCCOCCSC(C)C 34a_200011212901_100011933949 [0,0,1,0,0,0|3,0,0]=4 902 B16R0.274 C=CCCCCCCCCOCCSC(C)C 7a_100011215194_100000730970 [0,0,1,0,0,0|3,0,0]=4 903 B16R0.274 C=CCCCCCCCCOCCSC(C)C 7a_200011212901_100011933949 [0,0,1,0,0,0|3,0,0]=4 904 B16R0.274 C=CCCCCCCCCSCCCC(=O)C 62a_100011215641_100011933949 [0,0,1,0,0,0|1,0,2]=4 905 B16R0.274 C=CCCCCCCCCSCCCC(=O)C 62a_100011933949_100011215641 [0,0,1,0,0,0|1,0,2]=4 906 B16R0.274 C=CCCCCCCCCSCCCC(C)O 62a_100011933949_200000718107 [0,0,1,0,0,0|3,0,0]=4 907 B16R0.274 C=CCCCCCCCCSCCCC(C)O 62a_200000718107_100011933949 [0,0,1,0,0,0|3,0,0]=4 908 B16R0.274 C=CCCCCCCCCSCCCN(C)C 62a_100011933949_100000757444 [0,0,1,0,0,0|3,0,0]=4 909 B16R0.274 C=CCCCCCCCCSCCOC(C)C 62a_100000211751_100011933949 [0,0,1,0,0,0|3,0,0]=4 910 B16R0.274 C=CCCCCCCCCSCCOC(C)C 62a_100011933949_100000211751 [0,0,1,0,0,0|3,0,0]=4 911 B16R0.274 C=CCCCCCCCCSCCSC(C)C 62a_100000730970_100011933949 [0,0,1,0,0,0|3,0,0]=4 912 B16R0.274 C=CCCCCCCCCSCCSC(C)C 62a_100011933949_100000730970 [0,0,1,0,0,0|3,0,0]=4 913 B16R0.274 C=CCCCCCCCNCCCOC(C)C 2230a_100000737246_100012355270 [0,0,1,0,0,0|3,0,0]=4 914 B16R0.274 C=CCCCCCCCNCCCOC(C)C 34a_100000737246_100012355270 [0,0,1,0,0,0|3,0,0]=4 915 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 34a_100000730831_100009817362 [0,0,1,0,0,0|1,0,2]=4 916 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 7a_100000730831_100000735457 [0,0,1,0,0,0|1,0,2]=4 917 B16R0.274 C=CCCCCCCCOCCCCC(C)C 34a_100000730831_100011216152 [0,0,1,0,0,0|2,0,0]=3 918 B16R0.274 C=CCCCCCCCOCCCCC(C)C 34a_100011214890_100012355270 [0,0,1,0,0,0|2,0,0]=3 919 B16R0.274 C=CCCCCCCCOCCCCC(C)C 7a_100000730831_100011216152 [0,0,1,0,0,0|2,0,0]=3 920 B16R0.274 C=CCCCCCCCOCCCCC(C)C 7a_100011214890_100012355270 [0,0,1,0,0,0|2,0,0]=3 921 B16R0.274 C=CCCCCCCCOCCCNC(C)C 34a_100000182298_100012355270 [0,0,1,0,0,0|3,0,0]=4 922 B16R0.274 C=CCCCCCCCOCCNCC(C)C 34a_100015185251_100012355270 [0,0,1,0,0,0|3,0,0]=4 923 B16R0.274 C=CCCCCCCCOCCOCC(C)C 34a_100000703358_100012355270 [0,0,1,0,0,0|3,0,0]=4 924 B16R0.274 C=CCCCCCCCOCCOCC(C)C 7a_100000703358_100012355270 [0,0,1,0,0,0|3,0,0]=4 925 B16R0.274 C=CCCCCCCCOCCSCC(C)C 34a_200000230437_100012355270 [0,0,1,0,0,0|3,0,0]=4 926 B16R0.274 C=CCCCCCCCOCCSCC(C)C 7a_200000230437_100012355270 [0,0,1,0,0,0|3,0,0]=4 927 B16R0.274 C=CCCCCCCCSCCCCC(=O)C 62a_100000735457_100012355270 [0,0,1,0,0,0|1,0,2]=4 928 B16R0.274 C=CCCCCCCCSCCCCC(=O)C 62a_100012355270_100000735457 [0,0,1,0,0,0|1,0,2]=4 929 B16R0.274 C=CCCCCCCCSCCCCN(C)C 62a_100012355270_100000690147 [0,0,1,0,0,0|3,0,0]=4 930 B16R0.274 C=CCCCCCCNCCCCCC(C)C 2230a_100011290863_100011215473 [0,0,1,0,0,0|2,0,0]=3 931 B16R0.274 C=CCCCCCCNCCCCCC(C)C 34a_100011290863_100011215473 [0,0,1,0,0,0|2,0,0]=3 932 B16R0.274 C=CCCCCCCNCCCOCC(C)C 2230a_100000205972_100011215473 [0,0,1,0,0,0|3,0,0]=4 933 B16R0.274 C=CCCCCCCNCCCOCC(C)C 34a_100000205972_100011215473 [0,0,1,0,0,0|3,0,0]=4 934 B16R0.274 C=CCCCCCCOCCCCCC(C)C 34a_100011995859_100011215473 [0,0,1,0,0,0|2,0,0]=3 935 B16R0.274 C=CCCCCCCOCCCCCC(C)C 34a_200011216477_100000210682 [0,0,1,0,0,0|2,0,0]=3 936 B16R0.274 C=CCCCCCCOCCCCCC(C)C 7a_100011995859_100011215473 [0,0,1,0,0,0|2,0,0]=3 937 B16R0.274 C=CCCCCCCOCCCCCC(C)C 7a_200011216477_100000210682 [0,0,1,0,0,0|2,0,0]=3 938 B16R0.274 C=CCCCCCCOCCCCNC(C)C 34a_100011521146_100011215473 [0,0,1,0,0,0|3,0,0]=4 939 B16R0.274 C=CCCCCCNCCCCCCC(C)C 2230a_100000211014_100000700193 [0,0,1,0,0,0|2,0,0]=3 940 B16R0.274 C=CCCCCCNCCCCCCC(C)C 34a_100000211014_100000700193 [0,0,1,0,0,0|2,0,0]=3 941 B16R0.274 C=CCCCCCOCCCCCNC(C)C 34a_100011629493_100000700193 [0,0,1,0,0,0|3,0,0]=4 942 B16R0.274 C=CCCCCOCCCCCCCC(C)C 34a_200000210741_100011215482 [0,0,1,0,0,0|2,0,0]=3 943 B16R0.274 C=CCCCCOCCCCCCCC(C)C 7a_200000210741_100011215482 [0,0,1,0,0,0|2,0,0]=3 944 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [0,0,1,0,0,0|1,0,0]=2 945 B16R0.274 CC(=O)CCCCNCCCCCCCCO 34a_102515433106_100009817362 [0,0,1,0,0,0|2,0,0]=3 946 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100009817362 [0,0,1,0,0,0|2,0,0]=3 947 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000735457 [0,0,1,0,0,0|2,0,0]=3 948 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100009817362 [0,0,1,0,0,0|2,0,0]=3 949 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000735457 [0,0,1,0,0,0|2,0,0]=3 950 B16R0.274 CC(=O)CCCCOCCCCCCCCN 34a_102515433106_100009817362 [0,0,1,0,0,0|2,0,0]=3 951 B16R0.274 CC(=O)CCCCOCCCCCNCCN 34a_103619048469_100009817362 [0,0,1,0,0,0|3,0,0]=4 952 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000735457 [0,0,1,0,0,0|2,0,0]=3 953 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000735457_100000033203 [0,0,1,0,0,0|2,0,0]=3 954 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [0,0,1,0,0,0|2,0,0]=3 955 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000685027 [0,0,1,0,0,0|2,0,0]=3 956 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215641 [0,0,1,0,0,0|2,0,0]=3 957 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000685027 [0,0,1,0,0,0|2,0,0]=3 958 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215641 [0,0,1,0,0,0|2,0,0]=3 959 B16R0.274 CC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000685027 [0,0,1,0,0,0|2,0,0]=3 960 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [0,0,1,0,0,0|2,0,0]=3 961 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [0,0,1,0,0,0|2,0,0]=3 962 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [0,0,1,0,0,0|2,0,0]=3 963 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [0,0,1,0,0,0|2,0,0]=3 964 B16R0.274 CC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000053229 [0,0,1,0,0,0|2,0,0]=3 965 B16R0.274 CC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000053229 [0,0,1,0,0,0|2,0,0]=3 966 B16R0.274 CC(=O)CCOCCCCCCCCCCO 34a_100000759926_100009813290 [0,0,1,0,0,0|2,0,0]=3 967 B16R0.274 CC(=O)CCOCCCCCCCCCCO 7a_100000759926_100009813290 [0,0,1,0,0,0|2,0,0]=3 968 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100000053229_200000033068 [0,0,1,0,0,0|2,0,0]=3 969 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000053229 [0,0,1,0,0,0|2,0,0]=3 970 B16R0.274 CC(=O)COCCCCCCCCCCCO 34a_100000211253_100009812471 [0,0,1,0,0,0|2,0,0]=3 971 B16R0.274 CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100015343762 [0,0,1,0,0,0|2,0,0]=3 972 B16R0.274 CC(=O)NCCCCCCNCCCCCF 2230a_200011996284_100000729378 [0,0,1,0,0,0|3,0,0]=4 973 B16R0.274 CC(=O)NCCCCCCNCCCCCF 34a_200011996284_100000729378 [0,0,1,0,0,0|3,0,0]=4 974 B16R0.274 CC(=O)NCCCCCCNCCCCCO 2230a_200011996284_100000746330 [0,0,1,0,0,0|3,0,0]=4 975 B16R0.274 CC(=O)NCCCCCCNCCCCCO 34a_200011996284_100000746330 [0,0,1,0,0,0|3,0,0]=4 976 B16R0.274 CC(=O)NCCCCCNCCCCCCF 2230a_200012022750_100015922095 [0,0,1,0,0,0|3,0,0]=4 977 B16R0.274 CC(=O)NCCCCCNCCCCCCF 34a_200012022750_100015922095 [0,0,1,0,0,0|3,0,0]=4 978 B16R0.274 CC(=O)NCCCCCNCCCCCCO 2230a_200012022750_100000766143 [0,0,1,0,0,0|3,0,0]=4 979 B16R0.274 CC(=O)NCCCCCNCCCCCCO 34a_200012022750_100000766143 [0,0,1,0,0,0|3,0,0]=4 980 B16R0.274 CC(=O)NCCCCNCCCCCCCO 2230a_200011368371_100000760002 [0,0,1,0,0,0|3,0,0]=4 981 B16R0.274 CC(=O)NCCCCNCCCCCCCO 34a_200011368371_100000760002 [0,0,1,0,0,0|3,0,0]=4 982 B16R0.274 CC(=O)NCCCNCCCCCCCCO 34a_100000736810_100000033203 [0,0,1,0,0,0|3,0,0]=4 983 B16R0.274 CC(=O)NCCCOCCCCCCCCO 34a_100000752032_100000033203 [0,0,1,0,0,0|3,0,0]=4 984 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000078944_100000189650 [0,0,1,0,0,0|3,0,0]=4 985 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000209853_100009813782 [0,0,1,0,0,0|3,0,0]=4 986 B16R0.274 CC(=O)NCCOCCCCCCCCCBr 7a_100009813782_100000189650 [0,0,1,0,0,0|3,0,0]=4 987 B16R0.274 CC(=O)NCCOCCCCCCCCCCl 7a_100009868337_100000189650 [0,0,1,0,0,0|3,0,0]=4 988 B16R0.274 CC(=O)NCCOCCCCCCCCCO 34a_100000158858_100009813782 [0,0,1,0,0,0|3,0,0]=4 989 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100000189650_100009813782 [0,0,1,0,0,0|3,0,0]=4 990 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100009813782_100000189650 [0,0,1,0,0,0|3,0,0]=4 991 B16R0.274 CC(=O)OCCCCCNCCCCCCO 2230a_100000686447_100009813381 [0,0,1,0,0,0|3,0,0]=4 992 B16R0.274 CC(=O)OCCCCCNCCCCCCO 34a_100000686447_100000033007 [0,0,1,0,0,0|3,0,0]=4 993 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 34a_100011215345_100000033007 [0,0,1,0,0,0|3,0,0]=4 994 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 7a_100011215345_100000033007 [0,0,1,0,0,0|3,0,0]=4 995 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 34a_100000766143_100000033007 [0,0,1,0,0,0|3,0,0]=4 996 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 7a_100000766143_100000033007 [0,0,1,0,0,0|3,0,0]=4 997 B16R0.274 CC(=O)OCCCCCOCCCCCCF 34a_100000732779_100000033007 [0,0,1,0,0,0|3,0,0]=4 998 B16R0.274 CC(=O)OCCCCCOCCCCCCF 7a_100000732779_100000033007 [0,0,1,0,0,0|3,0,0]=4 999 B16R0.274 CC(=O)OCCCCCOCCCCCCN 34a_100000686447_100000033007 [0,0,1,0,0,0|3,0,0]=4 1000 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100000033007_100015922095 [0,0,1,0,0,0|3,0,0]=4 1001 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100015922095_100000033007 [0,0,1,0,0,0|3,0,0]=4 1002 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000033007_100000766143 [0,0,1,0,0,0|3,0,0]=4 1003 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000766143_100000033007 [0,0,1,0,0,0|3,0,0]=4 1004 B16R0.274 CC(=O)OCCCCNCCCCCCCO 34a_100011996573_100000033659 [0,0,1,0,0,0|3,0,0]=4 1005 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 34a_100000760002_100000033659 [0,0,1,0,0,0|3,0,0]=4 1006 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 7a_100000760002_100000033659 [0,0,1,0,0,0|3,0,0]=4 1007 B16R0.274 CC(=O)OCCCCOCCCCCCCN 34a_100011996573_100000033659 [0,0,1,0,0,0|3,0,0]=4 1008 B16R0.274 CC(=O)OCCCCOCCCCCCCO 34a_100000073216_100000760002 [0,0,1,0,0,0|3,0,0]=4 1009 B16R0.274 CC(=O)OCCCCOCCCCCCCO 7a_100000073216_100000760002 [0,0,1,0,0,0|3,0,0]=4 1010 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000033659_100000760002 [0,0,1,0,0,0|3,0,0]=4 1011 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000760002_100000033659 [0,0,1,0,0,0|3,0,0]=4 1012 B16R0.274 CC(=O)OCCCNCCCCCCCCO 34a_102515433106_100000042594 [0,0,1,0,0,0|3,0,0]=4 1013 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 34a_100009813846_100000042594 [0,0,1,0,0,0|3,0,0]=4 1014 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 7a_100009813846_100000042594 [0,0,1,0,0,0|3,0,0]=4 1015 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 34a_100000033203_100000042594 [0,0,1,0,0,0|3,0,0]=4 1016 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 7a_100000033203_100000042594 [0,0,1,0,0,0|3,0,0]=4 1017 B16R0.274 CC(=O)OCCCOCCCCCCCCN 34a_102515433106_100000042594 [0,0,1,0,0,0|3,0,0]=4 1018 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000033203_100000042594 [0,0,1,0,0,0|3,0,0]=4 1019 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000042594_100000033203 [0,0,1,0,0,0|3,0,0]=4 1020 B16R0.274 CC(=O)OCCNCCCCCCCCCO 34a_100000078944_100009814007 [0,0,1,0,0,0|3,0,0]=4 1021 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 34a_100009813782_100009814007 [0,0,1,0,0,0|3,0,0]=4 1022 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 7a_100009813782_100009814007 [0,0,1,0,0,0|3,0,0]=4 1023 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 34a_100009868337_100009814007 [0,0,1,0,0,0|3,0,0]=4 1024 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 7a_100009868337_100009814007 [0,0,1,0,0,0|3,0,0]=4 1025 B16R0.274 CC(=O)OCCOCCCCCCCCCN 34a_100000078944_100009814007 [0,0,1,0,0,0|3,0,0]=4 1026 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009813782_100009814007 [0,0,1,0,0,0|3,0,0]=4 1027 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009814007_100009813782 [0,0,1,0,0,0|3,0,0]=4 1028 B16R0.274 CC(=O)OCNCCCCCCCCCCO 34a_100000066964_100009813279 [0,0,1,0,0,0|3,0,0]=4 1029 B16R0.274 CC(=O)OCOCCCCCCCCCCBr 34a_100009813290_100009813279 [0,0,1,0,0,0|3,0,0]=4 1030 B16R0.274 CC(=O)OCOCCCCCCCCCCCl 34a_200000033068_100009813279 [0,0,1,0,0,0|3,0,0]=4 1031 B16R0.274 CC(=O)OCOCCCCCCCCCCN 34a_100000066964_100009813279 [0,0,1,0,0,0|3,0,0]=4 1032 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100000076356_200000033068 [0,0,1,0,0,0|3,0,0]=4 1033 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100009813290_100000076356 [0,0,1,0,0,0|3,0,0]=4 1034 B16R0.274 CC(=O)SCCCCCCCCCCCS[13CH3] 62a_100010140907_200025704644 [0,0,1,0,0,0|2,0,0]=3 1035 B16R0.274 CC(=O)SCCCCCCCCCCCS[13CH3] 62a_200025704644_100010140907 [0,0,1,0,0,0|2,0,0]=3 1036 B16R0.274 CC(=O)SCCCCNCCCCCCCO 2230a_100011996573_200010402107 [0,0,1,0,0,0|3,0,0]=4 1037 B16R0.274 CC(=O)SCCCCNCCCCCCCO 34a_100011996573_200010402107 [0,0,1,0,0,0|3,0,0]=4 1038 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 34a_100000760002_200010402107 [0,0,1,0,0,0|3,0,0]=4 1039 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 7a_100000760002_200010402107 [0,0,1,0,0,0|3,0,0]=4 1040 B16R0.274 CC(=O)SCCCCOCCCCCCCN 34a_100011996573_200010402107 [0,0,1,0,0,0|3,0,0]=4 1041 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_100000760002_200010402107 [0,0,1,0,0,0|3,0,0]=4 1042 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_200010402107_100000760002 [0,0,1,0,0,0|3,0,0]=4 1043 B16R0.274 CC(=O)SCCCNCCCCCCCCO 2230a_102515433106_100000038929 [0,0,1,0,0,0|3,0,0]=4 1044 B16R0.274 CC(=O)SCCCNCCCCCCCCO 34a_102515433106_100000038929 [0,0,1,0,0,0|3,0,0]=4 1045 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 34a_100009813846_100000038929 [0,0,1,0,0,0|3,0,0]=4 1046 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 7a_100009813846_100000038929 [0,0,1,0,0,0|3,0,0]=4 1047 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 34a_100000033203_100000038929 [0,0,1,0,0,0|3,0,0]=4 1048 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 7a_100000033203_100000038929 [0,0,1,0,0,0|3,0,0]=4 1049 B16R0.274 CC(=O)SCCCOCCCCCCCCN 34a_102515433106_100000038929 [0,0,1,0,0,0|3,0,0]=4 1050 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000033203_100000038929 [0,0,1,0,0,0|3,0,0]=4 1051 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000038929_100000033203 [0,0,1,0,0,0|3,0,0]=4 1052 B16R0.274 CC(C)CCCCCCCOCCCCC#N 7a_200000210741_100000211819 [0,0,1,0,0,0|2,0,1]=4 1053 B16R0.274 CC(C)CCCCCCCOCCCCC=O 7a_200000210741_100000139335 [0,0,1,0,0,0|1,0,0]=2 1054 B16R0.274 CC(C)CCCCCCCOCCCCCF 34a_200000210741_100000729378 [0,0,1,0,0,0|2,0,1]=4 1055 B16R0.274 CC(C)CCCCCCCOCCCCCF 7a_200000210741_100000729378 [0,0,1,0,0,0|2,0,1]=4 1056 B16R0.274 CC(C)CCCCCCCOCCCCCO 34a_200000210741_100000746330 [0,0,1,0,0,0|1,0,2]=4 1057 B16R0.274 CC(C)CCCCCCCOCCCCCO 7a_200000210741_100000746330 [0,0,1,0,0,0|1,0,2]=4 1058 B16R0.274 CC(C)CCCCCCNCCCCCC#N 2230a_100000211014_100009813376 [0,0,1,0,0,0|2,0,1]=4 1059 B16R0.274 CC(C)CCCCCCNCCCCCC=O 2230a_100000211014_100000139337 [0,0,1,0,0,0|1,0,0]=2 1060 B16R0.274 CC(C)CCCCCCNCCCCCCF 2230a_100000211014_100015922095 [0,0,1,0,0,0|2,0,1]=4 1061 B16R0.274 CC(C)CCCCCCNCCCCCCF 34a_100000211014_100015922095 [0,0,1,0,0,0|2,0,1]=4 1062 B16R0.274 CC(C)CCCCCCNCCCCCCO 2230a_100000211014_100000766143 [0,0,1,0,0,0|1,0,2]=4 1063 B16R0.274 CC(C)CCCCCCNCCCCCCO 34a_100000211014_100000766143 [0,0,1,0,0,0|1,0,2]=4 1064 B16R0.274 CC(C)CCCCCNCCCCCCC#N 2230a_100011290863_100009813337 [0,0,1,0,0,0|2,0,1]=4 1065 B16R0.274 CC(C)CCCCCNCCCCCCCO 2230a_100011290863_100000760002 [0,0,1,0,0,0|1,0,2]=4 1066 B16R0.274 CC(C)CCCCCNCCCCCCCO 2230a_100011996573_100000210682 [0,0,1,0,0,0|1,0,2]=4 1067 B16R0.274 CC(C)CCCCCNCCCCCCCO 34a_100011290863_100000760002 [0,0,1,0,0,0|1,0,2]=4 1068 B16R0.274 CC(C)CCCCCNCCCCCCCO 34a_100011996573_100000210682 [0,0,1,0,0,0|1,0,2]=4 1069 B16R0.274 CC(C)CCCCCOCCCCCCC#N 7a_100011995859_100009813337 [0,0,1,0,0,0|2,0,1]=4 1070 B16R0.274 CC(C)CCCCCOCCCCCCCBr 34a_100000760002_100000210682 [0,0,1,0,0,0|2,0,1]=4 1071 B16R0.274 CC(C)CCCCCOCCCCCCCBr 7a_100000760002_100000210682 [0,0,1,0,0,0|2,0,1]=4 1072 B16R0.274 CC(C)CCCCCOCCCCCCCN 34a_100011996573_100000210682 [0,0,1,0,0,0|2,0,1]=4 1073 B16R0.274 CC(C)CCCCCOCCCCCCCO 34a_100011995859_100000760002 [0,0,1,0,0,0|1,0,2]=4 1074 B16R0.274 CC(C)CCCCCOCCCCCCCO 7a_100011995859_100000760002 [0,0,1,0,0,0|1,0,2]=4 1075 B16R0.274 CC(C)CCCCCSCCCCCCC#N 62a_100000210682_100009813337 [0,0,1,0,0,0|2,0,1]=4 1076 B16R0.274 CC(C)CCCCCSCCCCCCC#N 62a_100009813337_100000210682 [0,0,1,0,0,0|2,0,1]=4 1077 B16R0.274 CC(C)CCCCCSCCCCCCCO 62a_100000210682_100000760002 [0,0,1,0,0,0|1,0,2]=4 1078 B16R0.274 CC(C)CCCCCSCCCCCCCO 62a_100000760002_100000210682 [0,0,1,0,0,0|1,0,2]=4 1079 B16R0.274 CC(C)CCCCNCCCCCCCCO 2230a_102515433106_100011216152 [0,0,1,0,0,0|1,0,2]=4 1080 B16R0.274 CC(C)CCCCNCCCCCCCCO 34a_102515433106_100011216152 [0,0,1,0,0,0|1,0,2]=4 1081 B16R0.274 CC(C)CCCCOCCCCCCCCBr 34a_100009813846_100011216152 [0,0,1,0,0,0|2,0,1]=4 1082 B16R0.274 CC(C)CCCCOCCCCCCCCBr 7a_100009813846_100011216152 [0,0,1,0,0,0|2,0,1]=4 1083 B16R0.274 CC(C)CCCCOCCCCCCCCCl 34a_100000033203_100011216152 [0,0,1,0,0,0|2,0,1]=4 1084 B16R0.274 CC(C)CCCCOCCCCCCCCCl 7a_100000033203_100011216152 [0,0,1,0,0,0|2,0,1]=4 1085 B16R0.274 CC(C)CCCCOCCCCCCCCN 34a_102515433106_100011216152 [0,0,1,0,0,0|2,0,1]=4 1086 B16R0.274 CC(C)CCCCOCCCCCCCCO 34a_100011214890_100000033203 [0,0,1,0,0,0|1,0,2]=4 1087 B16R0.274 CC(C)CCCCOCCCCCCCCO 7a_100011214890_100000033203 [0,0,1,0,0,0|1,0,2]=4 1088 B16R0.274 CC(C)CCCCSCCCCCCCCO 62a_100000033203_100011216152 [0,0,1,0,0,0|1,0,2]=4 1089 B16R0.274 CC(C)CCCCSCCCCCCCCO 62a_100011216152_100000033203 [0,0,1,0,0,0|1,0,2]=4 1090 B16R0.274 CC(C)CCCNCCCCCCCCCO 2230a_100000078944_100011214892 [0,0,1,0,0,0|1,0,2]=4 1091 B16R0.274 CC(C)CCCNCCCCCCCCCO 2230a_200000737386_100009813782 [0,0,1,0,0,0|1,0,2]=4 1092 B16R0.274 CC(C)CCCNCCCCCCCCCO 34a_100000078944_100011214892 [0,0,1,0,0,0|1,0,2]=4 1093 B16R0.274 CC(C)CCCNCCCCCCCCCO 34a_200000737386_100009813782 [0,0,1,0,0,0|1,0,2]=4 1094 B16R0.274 CC(C)CCCOCCCCCCCCCBr 34a_100009813782_100011214892 [0,0,1,0,0,0|2,0,1]=4 1095 B16R0.274 CC(C)CCCOCCCCCCCCCBr 7a_100009813782_100011214892 [0,0,1,0,0,0|2,0,1]=4 1096 B16R0.274 CC(C)CCCOCCCCCCCCCCl 34a_100009868337_100011214892 [0,0,1,0,0,0|2,0,1]=4 1097 B16R0.274 CC(C)CCCOCCCCCCCCCCl 7a_100009868337_100011214892 [0,0,1,0,0,0|2,0,1]=4 1098 B16R0.274 CC(C)CCCOCCCCCCCCCN 34a_100000078944_100011214892 [0,0,1,0,0,0|2,0,1]=4 1099 B16R0.274 CC(C)CCCOCCCCCCCCCO 34a_100000210774_100009813782 [0,0,1,0,0,0|1,0,2]=4 1100 B16R0.274 CC(C)CCCOCCCCCCCCCO 7a_100000210774_100009813782 [0,0,1,0,0,0|1,0,2]=4 1101 B16R0.274 CC(C)CCCSCCCCCCCCCO 62a_100009813782_100011214892 [0,0,1,0,0,0|1,0,2]=4 1102 B16R0.274 CC(C)CCCSCCCCCCCCCO 62a_100011214892_100009813782 [0,0,1,0,0,0|1,0,2]=4 1103 B16R0.274 CC(C)CCNCCCCCCCCCCO 2230a_100000066964_100000210312 [0,0,1,0,0,0|1,0,2]=4 1104 B16R0.274 CC(C)CCNCCCCCCCCCCO 269862a_100000066964_100000185833 [0,0,1,0,0,0|1,0,2]=4 1105 B16R0.274 CC(C)CCNCCCCCCCCCCO 34a_100000066964_100000210312 [0,0,1,0,0,0|1,0,2]=4 1106 B16R0.274 CC(C)CCOCCCCCCCCCCBr 34a_100009813290_100000210312 [0,0,1,0,0,0|2,0,1]=4 1107 B16R0.274 CC(C)CCOCCCCCCCCCCBr 7a_100009813290_100000210626 [0,0,1,0,0,0|2,0,1]=4 1108 B16R0.274 CC(C)CCOCCCCCCCCCCCl 34a_200000033068_100000210312 [0,0,1,0,0,0|2,0,1]=4 1109 B16R0.274 CC(C)CCOCCCCCCCCCCCl 7a_200000033068_100000210626 [0,0,1,0,0,0|2,0,1]=4 1110 B16R0.274 CC(C)CCOCCCCCCCCCCN 34a_100000066964_100000210312 [0,0,1,0,0,0|2,0,1]=4 1111 B16R0.274 CC(C)CCOCCCCCCCCCCO 34a_100000210254_100009813290 [0,0,1,0,0,0|1,0,2]=4 1112 B16R0.274 CC(C)CCOCCCCCCCCCCO 7a_100000210254_100009813290 [0,0,1,0,0,0|1,0,2]=4 1113 B16R0.274 CC(C)CCSCCCCCCCCCCO 62a_100000210312_200000033068 [0,0,1,0,0,0|1,0,2]=4 1114 B16R0.274 CC(C)CCSCCCCCCCCCCO 62a_100009813290_100000210312 [0,0,1,0,0,0|1,0,2]=4 1115 B16R0.274 CC(C)CNCCCCCCCCCCCO 2230a_100000210953_100009812471 [0,0,1,0,0,0|1,0,2]=4 1116 B16R0.274 CC(C)CNCCCCCCCCCCCO 34a_100000210953_100009812471 [0,0,1,0,0,0|1,0,2]=4 1117 B16R0.274 CC(C)COCCCCCCCCCCCBr 34a_100009812471_100000210624 [0,0,1,0,0,0|2,0,1]=4 1118 B16R0.274 CC(C)COCCCCCCCCCCCBr 7a_100009812471_100000210760 [0,0,1,0,0,0|2,0,1]=4 1119 B16R0.274 CC(C)COCCCCCCCCCCCO 34a_100000210257_100009812471 [0,0,1,0,0,0|1,0,2]=4 1120 B16R0.274 CC(C)CSCCCCCCCCCCCO 62a_100009812471_100000210760 [0,0,1,0,0,0|1,0,2]=4 1121 B16R0.274 CC(C)NCCCCCCCCCCCCO 2230a_100000066677_100000210206 [0,0,1,0,0,0|1,0,2]=4 1122 B16R0.274 CC(C)NCCCCCCCCCCCCO 2230a_100138425928_100009813331 [0,0,1,0,0,0|1,0,2]=4 1123 B16R0.274 CC(C)NCCCCCCCCCCCCO 34a_100000066677_100000210206 [0,0,1,0,0,0|1,0,2]=4 1124 B16R0.274 CC(C)NCCCCCCCCCCCCO 34a_100138425928_100009813331 [0,0,1,0,0,0|1,0,2]=4 1125 B16R0.274 CC(C)OCCCCCCCCCCCCBr 34a_100009813331_100000210206 [0,0,1,0,0,0|2,0,1]=4 1126 B16R0.274 CC(C)OCCCCCCCCCCCCBr 7a_100009813331_100000210206 [0,0,1,0,0,0|2,0,1]=4 1127 B16R0.274 CC(C)OCCCCCCCCCCCCN 34a_100000066677_100000210206 [0,0,1,0,0,0|2,0,1]=4 1128 B16R0.274 CC(C)OCCCCCCCCCCCCO 34a_100000212225_100009813331 [0,0,1,0,0,0|1,0,2]=4 1129 B16R0.274 CC(C)SCCCCCCCCCCCCO 62a_100009813331_100000210206 [0,0,1,0,0,0|1,0,2]=4 1130 B16R0.274 CC/C=C\CCCCCOCCCCC(=O)C 34a_100016268722_100009817362 [0,0,1,0,0,0|1,0,2]=4 1131 B16R0.274 CC/C=C\CCCCCOCCCCC(=O)C 7a_100016268722_100000735457 [0,0,1,0,0,0|1,0,2]=4 1132 B16R0.274 CCC#CCCCCCCOCCCC(=O)C 34a_100000759063_200000036426 [0,0,1,0,0,0|1,0,2]=4 1133 B16R0.274 CCC#CCCCCCCOCCCC(=O)C 7a_100000759063_200000036426 [0,0,1,0,0,0|1,0,2]=4 1134 B16R0.274 CCC#CCCCCCCSCCCC(=O)C 62a_100011215641_200000036426 [0,0,1,0,0,0|1,0,2]=4 1135 B16R0.274 CCC#CCCCCCCSCCCC(=O)C 62a_200000036426_100011215641 [0,0,1,0,0,0|1,0,2]=4 1136 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)C 34a_200020645093_100000685027 [0,0,1,0,0,0|1,0,2]=4 1137 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)C 7a_200020645093_100011215641 [0,0,1,0,0,0|1,0,2]=4 1138 B16R0.274 CCCCC#CCCCCCCOCC(=O)C 34a_100000211253_200000043322 [0,0,1,0,0,0|1,0,2]=4 1139 B16R0.274 CCCCC#CCCCCOCCCC(=O)C 34a_200000066234_100000685027 [0,0,1,0,0,0|1,0,2]=4 1140 B16R0.274 CCCCC#CCCCCOCCCC(=O)C 7a_200000066234_100011215641 [0,0,1,0,0,0|1,0,2]=4 1141 B16R0.274 CCCCC#CCCCSCCCCC(=O)C 62a_100000735457_200000047210 [0,0,1,0,0,0|1,0,2]=4 1142 B16R0.274 CCCCC#CCCCSCCCCC(=O)C 62a_200000047210_100000735457 [0,0,1,0,0,0|1,0,2]=4 1143 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 34a_100020655193_100000685027 [0,0,1,0,0,0|1,0,2]=4 1144 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 7a_100020655193_100011215641 [0,0,1,0,0,0|1,0,2]=4 1145 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 34a_100016277358_100009817362 [0,0,1,0,0,0|1,0,2]=4 1146 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 7a_100016277358_100000735457 [0,0,1,0,0,0|1,0,2]=4 1147 B16R0.274 CCCCCC#CCCOCCCCC(=O)C 34a_200000042877_100009817362 [0,0,1,0,0,0|1,0,2]=4 1148 B16R0.274 CCCCCC#CCCOCCCCC(=O)C 7a_200000042877_100000735457 [0,0,1,0,0,0|1,0,2]=4 1149 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 34a_200016276170_100009817362 [0,0,1,0,0,0|1,0,2]=4 1150 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 7a_200016276170_100000735457 [0,0,1,0,0,0|1,0,2]=4 1151 B16R0.274 CCCCCCC#CCCOCCCC(=O)C 34a_200000033163_100000685027 [0,0,1,0,0,0|1,0,2]=4 1152 B16R0.274 CCCCCCC#CCCOCCCC(=O)C 7a_200000033163_100011215641 [0,0,1,0,0,0|1,0,2]=4 1153 B16R0.274 CCCCCCC#CCOCCCCC(=O)C 34a_200000037284_100009817362 [0,0,1,0,0,0|1,0,2]=4 1154 B16R0.274 CCCCCCC#CCOCCCCC(=O)C 7a_200000037284_100000735457 [0,0,1,0,0,0|1,0,2]=4 1155 B16R0.274 CCCCCCCC#CCOCCCC(=O)C 34a_200000061759_100000685027 [0,0,1,0,0,0|1,0,2]=4 1156 B16R0.274 CCCCCCCC#CCOCCCC(=O)C 7a_200000061759_100011215641 [0,0,1,0,0,0|1,0,2]=4 1157 B16R0.274 CCCCCCCC/C=C/COCCC(=O)C 7a_200020667288_100000053229 [0,0,1,0,0,0|1,0,2]=4 1158 B16R0.274 CCCCCCCCCCCC=NNC(=O)C 4a_100000189765_100011218549 [0,0,1,0,0,0|2,0,1]=4 1159 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_100011215471 [0,0,1,0,0,0|0,0,0]=1 1160 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000297455_200000210301 [0,0,1,0,0,0|0,0,0]=1 1161 B16R0.274 CCCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000297455_200025704644 [0,0,1,0,0,0|0,0,0]=1 1162 B16R0.274 CCCCCCCCCCCCCCN(C)C 2230a_100102631434_100011215471 [0,0,1,0,0,0|2,0,0]=3 1163 B16R0.274 CCCCCCCCCCCCCCN(C)C 269982a_100102631434_100011215471 [0,0,1,0,0,0|2,0,0]=3 1164 B16R0.274 CCCCCCCCCCCCCCN(C)C 270004a_100102631434_200011216147 [0,0,1,0,0,0|2,0,0]=3 1165 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [0,0,1,0,0,0|1,0,0]=2 1166 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [0,0,1,0,0,0|1,0,0]=2 1167 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [0,0,1,0,0,0|1,0,0]=2 1168 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [0,0,1,0,0,0|1,0,0]=2 1169 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100011215765_100000210206 [0,0,1,0,0,0|2,0,1]=4 1170 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100138425928_100000210684 [0,0,1,0,0,0|2,0,1]=4 1171 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100011215765_100000210206 [0,0,1,0,0,0|2,0,1]=4 1172 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100138425928_100000210684 [0,0,1,0,0,0|2,0,1]=4 1173 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000185773_100000210206 [0,0,1,0,0,0|2,0,1]=4 1174 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000212225_100000210684 [0,0,1,0,0,0|2,0,1]=4 1175 B16R0.274 CCCCCCCCCCCCCOC(C)C 7a_100000185773_100000210206 [0,0,1,0,0,0|2,0,1]=4 1176 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [0,0,1,0,0,0|2,0,0]=3 1177 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [0,0,1,0,0,0|2,0,0]=3 1178 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [0,0,1,0,0,0|2,0,0]=3 1179 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [0,0,1,0,0,0|2,0,0]=3 1180 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [0,0,1,0,0,0|2,0,0]=3 1181 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210451_100000210760 [0,0,1,0,0,0|2,0,1]=4 1182 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210953_100011215052 [0,0,1,0,0,0|2,0,1]=4 1183 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210451_100000210432 [0,0,1,0,0,0|2,0,1]=4 1184 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210953_100011218549 [0,0,1,0,0,0|2,0,1]=4 1185 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210451_100000210624 [0,0,1,0,0,0|2,0,1]=4 1186 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210953_100000759014 [0,0,1,0,0,0|2,0,1]=4 1187 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210451_100011218427 [0,0,1,0,0,0|1,0,2]=4 1188 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215052 [0,0,1,0,0,0|1,0,2]=4 1189 B16R0.274 CCCCCCCCCCCCNCC(C)O 270004a_100000210904_100011218549 [0,0,1,0,0,0|1,0,2]=4 1190 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210451_100011218427 [0,0,1,0,0,0|1,0,2]=4 1191 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210904_100000759014 [0,0,1,0,0,0|1,0,2]=4 1192 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 2230a_100000210451_100009817552 [0,0,1,0,0,0|1,0,2]=4 1193 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 34a_100000210451_100009817552 [0,0,1,0,0,0|1,0,2]=4 1194 B16R0.274 CCCCCCCCCCCCNC[N+](=O)[O-] 34a_100000210451_100000761209 [0,0,1,0,0,0|3,0,0]=4 1195 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [0,0,1,0,0,0|1,0,0]=2 1196 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [0,0,1,0,0,0|2,0,0]=3 1197 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [0,0,1,0,0,0|2,0,0]=3 1198 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [0,0,1,0,0,0|2,0,0]=3 1199 B16R0.274 CCCCCCCCCCCCOCC(C)Br 34a_100012180447_100000759014 [0,0,1,0,0,0|2,0,1]=4 1200 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210257_100000759014 [0,0,1,0,0,0|2,0,1]=4 1201 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210810_100000210624 [0,0,1,0,0,0|2,0,1]=4 1202 B16R0.274 CCCCCCCCCCCCOCC(C)C 7a_100000210810_100000210760 [0,0,1,0,0,0|2,0,1]=4 1203 B16R0.274 CCCCCCCCCCCCOCC(C)F 34a_100015925927_100000759014 [0,0,1,0,0,0|2,0,1]=4 1204 B16R0.274 CCCCCCCCCCCCOCC(C)O 34a_100000210810_100011218427 [0,0,1,0,0,0|1,0,2]=4 1205 B16R0.274 CCCCCCCCCCCCOCC(C)O 7a_100000210810_100011218427 [0,0,1,0,0,0|1,0,2]=4 1206 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000759014 [0,0,1,0,0,0|2,0,1]=4 1207 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000759014 [0,0,1,0,0,0|2,0,1]=4 1208 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 34a_100000210810_100009817552 [0,0,1,0,0,0|1,0,2]=4 1209 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 7a_100000210810_100009817552 [0,0,1,0,0,0|1,0,2]=4 1210 B16R0.274 CCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210810_100000761209 [0,0,1,0,0,0|3,0,0]=4 1211 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [0,0,1,0,0,0|2,0,0]=3 1212 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [0,0,1,0,0,0|2,0,0]=3 1213 B16R0.274 CCCCCCCCCCCCSCC(C)O 62a_100011218427_100000759014 [0,0,1,0,0,0|1,0,2]=4 1214 B16R0.274 CCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000759014 [0,0,1,0,0,0|1,0,2]=4 1215 B16R0.274 CCCCCCCCCCCNCC=C(C)C 2230a_200011215754_100000761012 [0,0,1,0,0,0|2,0,1]=4 1216 B16R0.274 CCCCCCCCCCCNCC=C(C)C 34a_100000718196_100011215454 [0,0,1,0,0,0|2,0,1]=4 1217 B16R0.274 CCCCCCCCCCCNCC=C(C)C 34a_200011215754_100000761012 [0,0,1,0,0,0|2,0,1]=4 1218 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [0,0,1,0,0,0|2,0,0]=3 1219 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [0,0,1,0,0,0|2,0,0]=3 1220 B16R0.274 CCCCCCCCCCCNCCC(C)C 2230a_200011215754_100000210312 [0,0,1,0,0,0|2,0,1]=4 1221 B16R0.274 CCCCCCCCCCCNCCC(C)C 269862a_200011215754_100000185833 [0,0,1,0,0,0|2,0,1]=4 1222 B16R0.274 CCCCCCCCCCCNCCC(C)C 34a_200011215754_100000210312 [0,0,1,0,0,0|2,0,1]=4 1223 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215454 [0,0,1,0,0,0|1,0,2]=4 1224 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200011215754_100012276601 [0,0,1,0,0,0|1,0,2]=4 1225 B16R0.274 CCCCCCCCCCCNCCC(C)O 34a_200011215754_100012276601 [0,0,1,0,0,0|1,0,2]=4 1226 B16R0.274 CCCCCCCCCCCNCOC(=O)C 34a_200011215754_100009813279 [0,0,1,0,0,0|2,0,0]=3 1227 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [0,0,1,0,0,0|3,0,0]=4 1228 B16R0.274 CCCCCCCCCCCOCC=C(C)C 34a_100000210809_100000761012 [0,0,1,0,0,0|2,0,1]=4 1229 B16R0.274 CCCCCCCCCCCOCC=C(C)C 34a_100000753907_100011215454 [0,0,1,0,0,0|2,0,1]=4 1230 B16R0.274 CCCCCCCCCCCOCC=C(C)C 7a_100000210809_100000761012 [0,0,1,0,0,0|2,0,1]=4 1231 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [0,0,1,0,0,0|1,0,0]=2 1232 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [0,0,1,0,0,0|1,0,0]=2 1233 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [0,0,1,0,0,0|1,0,0]=2 1234 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [0,0,1,0,0,0|2,0,0]=3 1235 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [0,0,1,0,0,0|2,0,0]=3 1236 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [0,0,1,0,0,0|2,0,0]=3 1237 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [0,0,1,0,0,0|2,0,0]=3 1238 B16R0.274 CCCCCCCCCCCOCCC(C)Br 34a_100009893172_100011215454 [0,0,1,0,0,0|2,0,1]=4 1239 B16R0.274 CCCCCCCCCCCOCCC(C)C 34a_100000210254_100011215454 [0,0,1,0,0,0|2,0,1]=4 1240 B16R0.274 CCCCCCCCCCCOCCC(C)C 34a_100000210809_100000210312 [0,0,1,0,0,0|2,0,1]=4 1241 B16R0.274 CCCCCCCCCCCOCCC(C)C 7a_100000210254_100011215454 [0,0,1,0,0,0|2,0,1]=4 1242 B16R0.274 CCCCCCCCCCCOCCC(C)C 7a_100000210809_100000210626 [0,0,1,0,0,0|2,0,1]=4 1243 B16R0.274 CCCCCCCCCCCOCCC(C)O 34a_100000210809_100012276601 [0,0,1,0,0,0|1,0,2]=4 1244 B16R0.274 CCCCCCCCCCCOCCC(C)O 7a_100000210809_100012276601 [0,0,1,0,0,0|1,0,2]=4 1245 B16R0.274 CCCCCCCCCCCOCCN(C)C 7a_100000210809_100000755713 [0,0,1,0,0,0|3,0,0]=4 1246 B16R0.274 CCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215454 [0,0,1,0,0,0|2,0,1]=4 1247 B16R0.274 CCCCCCCCCCCOCOC(=O)C 34a_100000210809_100009813279 [0,0,1,0,0,0|2,0,0]=3 1248 B16R0.274 CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011215454 [0,0,1,0,0,0|1,0,0]=2 1249 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [0,0,1,0,0,0|2,0,0]=3 1250 B16R0.274 CCCCCCCCCCCSCCC(C)O 62a_100012276601_100011215454 [0,0,1,0,0,0|1,0,2]=4 1251 B16R0.274 CCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011215454 [0,0,1,0,0,0|2,0,0]=3 1252 B16R0.274 CCCCCCCCCCNCCC=C(C)C 2230a_100000684558_100011217483 [0,0,1,0,0,0|2,0,1]=4 1253 B16R0.274 CCCCCCCCCCNCCC=C(C)C 34a_100000684558_100011217483 [0,0,1,0,0,0|2,0,1]=4 1254 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [0,0,1,0,0,0|1,0,0]=2 1255 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [0,0,1,0,0,0|2,0,0]=3 1256 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [0,0,1,0,0,0|2,0,0]=3 1257 B16R0.274 CCCCCCCCCCNCCCC(C)C 2230a_100000684558_100011214892 [0,0,1,0,0,0|2,0,1]=4 1258 B16R0.274 CCCCCCCCCCNCCCC(C)C 2230a_200000737386_100000210320 [0,0,1,0,0,0|2,0,1]=4 1259 B16R0.274 CCCCCCCCCCNCCCC(C)C 34a_100000684558_100011214892 [0,0,1,0,0,0|2,0,1]=4 1260 B16R0.274 CCCCCCCCCCNCCCC(C)C 34a_200000737386_100000210320 [0,0,1,0,0,0|2,0,1]=4 1261 B16R0.274 CCCCCCCCCCNCCCC(C)O 2230a_100000684558_200000718107 [0,0,1,0,0,0|1,0,2]=4 1262 B16R0.274 CCCCCCCCCCNCCCC(C)O 34a_100000684558_200000718107 [0,0,1,0,0,0|1,0,2]=4 1263 B16R0.274 CCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210320 [0,0,1,0,0,0|2,0,0]=3 1264 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210320 [0,0,1,0,0,0|2,0,0]=3 1265 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000684558_100000189650 [0,0,1,0,0,0|2,0,0]=3 1266 B16R0.274 CCCCCCCCCCNCCNC(=O)N 2230a_100000684558_200000034859 [0,0,1,0,0,0|3,0,0]=4 1267 B16R0.274 CCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000210320 [0,0,1,0,0,0|3,0,0]=4 1268 B16R0.274 CCCCCCCCCCNCCOC(=O)C 34a_100000684558_100009814007 [0,0,1,0,0,0|2,0,0]=3 1269 B16R0.274 CCCCCCCCCCNCCOC(=O)N 34a_100000684558_200011214921 [0,0,1,0,0,0|3,0,0]=4 1270 B16R0.274 CCCCCCCCCCOCCC=C(C)C 34a_100000210711_100011217483 [0,0,1,0,0,0|2,0,1]=4 1271 B16R0.274 CCCCCCCCCCOCCC=C(C)C 7a_100000210711_100011217483 [0,0,1,0,0,0|2,0,1]=4 1272 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [0,0,1,0,0,0|1,0,0]=2 1273 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [0,0,1,0,0,0|1,0,0]=2 1274 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [0,0,1,0,0,0|1,0,0]=2 1275 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [0,0,1,0,0,0|1,0,0]=2 1276 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [0,0,1,0,0,0|2,0,0]=3 1277 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [0,0,1,0,0,0|2,0,0]=3 1278 B16R0.274 CCCCCCCCCCOCCCC(C)C 34a_100000210711_100011214892 [0,0,1,0,0,0|2,0,1]=4 1279 B16R0.274 CCCCCCCCCCOCCCC(C)C 34a_100000210774_100000210320 [0,0,1,0,0,0|2,0,1]=4 1280 B16R0.274 CCCCCCCCCCOCCCC(C)C 7a_100000210711_100011214892 [0,0,1,0,0,0|2,0,1]=4 1281 B16R0.274 CCCCCCCCCCOCCCC(C)C 7a_100000210774_100000210320 [0,0,1,0,0,0|2,0,1]=4 1282 B16R0.274 CCCCCCCCCCOCCCC(C)O 34a_100000210711_200000718107 [0,0,1,0,0,0|1,0,2]=4 1283 B16R0.274 CCCCCCCCCCOCCCC(C)O 7a_100000210711_200000718107 [0,0,1,0,0,0|1,0,2]=4 1284 B16R0.274 CCCCCCCCCCOCCCN(C)C 7a_100000210711_100000757444 [0,0,1,0,0,0|3,0,0]=4 1285 B16R0.274 CCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210320 [0,0,1,0,0,0|3,0,0]=4 1286 B16R0.274 CCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000210320 [0,0,1,0,0,0|2,0,0]=3 1287 B16R0.274 CCCCCCCCCCOCCNC(=O)C 7a_100000210711_100000189650 [0,0,1,0,0,0|2,0,0]=3 1288 B16R0.274 CCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000210320 [0,0,1,0,0,0|3,0,0]=4 1289 B16R0.274 CCCCCCCCCCOCCNC(=O)N 7a_100000210711_200000034859 [0,0,1,0,0,0|3,0,0]=4 1290 B16R0.274 CCCCCCCCCCOCCOC(=O)C 34a_100000210711_100009814007 [0,0,1,0,0,0|2,0,0]=3 1291 B16R0.274 CCCCCCCCCCOCCOC(=O)C 7a_100000210711_100009814007 [0,0,1,0,0,0|2,0,0]=3 1292 B16R0.274 CCCCCCCCCCOCCOC(=O)N 34a_100000210711_200011214921 [0,0,1,0,0,0|3,0,0]=4 1293 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000210711_200011214921 [0,0,1,0,0,0|3,0,0]=4 1294 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210320 [0,0,1,0,0,0|3,0,0]=4 1295 B16R0.274 CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210320 [0,0,1,0,0,0|1,0,0]=2 1296 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [0,0,1,0,0,0|2,0,0]=3 1297 B16R0.274 CCCCCCCCCCSCCCC(C)O 62a_200000718107_100000210320 [0,0,1,0,0,0|1,0,2]=4 1298 B16R0.274 CCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210320 [0,0,1,0,0,0|2,0,0]=3 1299 B16R0.274 CCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210320 [0,0,1,0,0,0|3,0,0]=4 1300 B16R0.274 CCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210320 [0,0,1,0,0,0|2,0,0]=3 1301 B16R0.274 CCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210320 [0,0,1,0,0,0|3,0,0]=4 1302 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [0,0,1,0,0,0|1,0,0]=2 1303 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [0,0,1,0,0,0|2,0,0]=3 1304 B16R0.274 CCCCCCCCCNCCCCC(C)C 2230a_100000212291_100011216152 [0,0,1,0,0,0|2,0,1]=4 1305 B16R0.274 CCCCCCCCCNCCCCC(C)C 34a_100000212291_100011216152 [0,0,1,0,0,0|2,0,1]=4 1306 B16R0.274 CCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011214924 [0,0,1,0,0,0|2,0,0]=3 1307 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [0,0,1,0,0,0|2,0,0]=3 1308 B16R0.274 CCCCCCCCCNCCCOC(=S)C 2230a_100000212291_200135323944 [0,0,1,0,0,0|2,1,0]=4 1309 B16R0.274 CCCCCCCCCNCCCOC(=S)C 34a_100000212291_200135323944 [0,0,1,0,0,0|2,1,0]=4 1310 B16R0.274 CCCCCCCCCNCCCSC(=O)C 2230a_100000212291_100000038929 [0,0,1,0,0,0|2,0,0]=3 1311 B16R0.274 CCCCCCCCCNCCCSC(=O)C 34a_100000212291_100000038929 [0,0,1,0,0,0|2,0,0]=3 1312 B16R0.274 CCCCCCCCCNCCOCC(=O)N 2230a_100000212291_100000076697 [0,0,1,0,0,0|3,0,0]=4 1313 B16R0.274 CCCCCCCCCNCCOCC(=O)N 34a_100000212291_100000076697 [0,0,1,0,0,0|3,0,0]=4 1314 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [0,0,1,0,0,0|3,0,0]=4 1315 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [0,0,1,0,0,0|1,0,0]=2 1316 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [0,0,1,0,0,0|1,0,0]=2 1317 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [0,0,1,0,0,0|2,0,0]=3 1318 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [0,0,1,0,0,0|2,0,0]=3 1319 B16R0.274 CCCCCCCCCOCCCCC(C)C 34a_100000210712_100011216152 [0,0,1,0,0,0|2,0,1]=4 1320 B16R0.274 CCCCCCCCCOCCCCC(C)C 34a_100011214890_100011214924 [0,0,1,0,0,0|2,0,1]=4 1321 B16R0.274 CCCCCCCCCOCCCCC(C)C 7a_100000210712_100011216152 [0,0,1,0,0,0|2,0,1]=4 1322 B16R0.274 CCCCCCCCCOCCCCC(C)C 7a_100011214890_100000210328 [0,0,1,0,0,0|2,0,1]=4 1323 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011214924 [0,0,1,0,0,0|3,0,0]=4 1324 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210328 [0,0,1,0,0,0|3,0,0]=4 1325 B16R0.274 CCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011214924 [0,0,1,0,0,0|2,0,0]=3 1326 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [0,0,1,0,0,0|2,0,0]=3 1327 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [0,0,1,0,0,0|2,0,0]=3 1328 B16R0.274 CCCCCCCCCOCCCOC(=S)C 34a_100000210712_200135323944 [0,0,1,0,0,0|2,1,0]=4 1329 B16R0.274 CCCCCCCCCOCCCOC(=S)C 7a_100000210712_200135323944 [0,0,1,0,0,0|2,1,0]=4 1330 B16R0.274 CCCCCCCCCOCCCSC(=O)C 34a_100000210712_100000038929 [0,0,1,0,0,0|2,0,0]=3 1331 B16R0.274 CCCCCCCCCOCCCSC(=O)C 7a_100000210712_100000038929 [0,0,1,0,0,0|2,0,0]=3 1332 B16R0.274 CCCCCCCCCOCCOCC(=O)N 34a_100000210712_100000076697 [0,0,1,0,0,0|3,0,0]=4 1333 B16R0.274 CCCCCCCCCOCCOCC(=O)N 7a_100000210712_100000076697 [0,0,1,0,0,0|3,0,0]=4 1334 B16R0.274 CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210670 [0,0,1,0,0,0|1,0,0]=2 1335 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [0,0,1,0,0,0|2,0,0]=3 1336 B16R0.274 CCCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210670 [0,0,1,0,0,0|2,1,0]=4 1337 B16R0.274 CCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210670 [0,0,1,0,0,0|2,0,0]=3 1338 B16R0.274 CCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210670 [0,0,1,0,0,0|3,0,0]=4 1339 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [0,0,1,0,0,0|2,0,0]=3 1340 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [0,0,1,0,0,0|2,0,0]=3 1341 B16R0.274 CCCCCCCCNCCCCCC(C)C 2230a_100000229939_100000210682 [0,0,1,0,0,0|2,0,1]=4 1342 B16R0.274 CCCCCCCCNCCCCCC(C)C 2230a_100011290863_100000210759 [0,0,1,0,0,0|2,0,1]=4 1343 B16R0.274 CCCCCCCCNCCCCCC(C)C 34a_100000229939_100000210682 [0,0,1,0,0,0|2,0,1]=4 1344 B16R0.274 CCCCCCCCNCCCCCC(C)C 34a_100011290863_100000210759 [0,0,1,0,0,0|2,0,1]=4 1345 B16R0.274 CCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210759 [0,0,1,0,0,0|2,0,0]=3 1346 B16R0.274 CCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210759 [0,0,1,0,0,0|2,0,0]=3 1347 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [0,0,1,0,0,0|2,0,0]=3 1348 B16R0.274 CCCCCCCCNCCCCSC(=O)C 2230a_100000229939_200010402107 [0,0,1,0,0,0|2,0,0]=3 1349 B16R0.274 CCCCCCCCNCCCCSC(=O)C 34a_100000229939_200010402107 [0,0,1,0,0,0|2,0,0]=3 1350 B16R0.274 CCCCCCCCNCOCCOC(=O)C 34a_100000229939_100000076355 [0,0,1,0,0,0|3,0,0]=4 1351 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [0,0,1,0,0,0|2,0,0]=3 1352 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [0,0,1,0,0,0|2,0,0]=3 1353 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [0,0,1,0,0,0|2,0,0]=3 1354 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [0,0,1,0,0,0|2,0,0]=3 1355 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [0,0,1,0,0,0|2,0,0]=3 1356 B16R0.274 CCCCCCCCOCCCCCC(C)C 34a_100000210232_100000210682 [0,0,1,0,0,0|2,0,1]=4 1357 B16R0.274 CCCCCCCCOCCCCCC(C)C 34a_100011995859_100000210759 [0,0,1,0,0,0|2,0,1]=4 1358 B16R0.274 CCCCCCCCOCCCCCC(C)C 7a_100000210232_100000210682 [0,0,1,0,0,0|2,0,1]=4 1359 B16R0.274 CCCCCCCCOCCCCCC(C)C 7a_100011995859_100000210759 [0,0,1,0,0,0|2,0,1]=4 1360 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [0,0,1,0,0,0|2,0,0]=3 1361 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [0,0,1,0,0,0|2,0,0]=3 1362 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [0,0,1,0,0,0|2,0,0]=3 1363 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [0,0,1,0,0,0|2,0,0]=3 1364 B16R0.274 CCCCCCCCOCCCCSC(=O)C 34a_100000210232_200010402107 [0,0,1,0,0,0|2,0,0]=3 1365 B16R0.274 CCCCCCCCOCCCCSC(=O)C 7a_100000210232_200010402107 [0,0,1,0,0,0|2,0,0]=3 1366 B16R0.274 CCCCCCCCOCOCCOC(=O)C 34a_100000210232_100000076355 [0,0,1,0,0,0|3,0,0]=4 1367 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [0,0,1,0,0,0|2,0,0]=3 1368 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [0,0,1,0,0,0|2,0,0]=3 1369 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [0,0,1,0,0,0|2,0,0]=3 1370 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [0,0,1,0,0,0|2,0,0]=3 1371 B16R0.274 CCCCCCCCSCCCCSC(=O)C 62a_100000210759_200010402107 [0,0,1,0,0,0|2,0,0]=3 1372 B16R0.274 CCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210317 [0,0,1,0,0,0|2,0,0]=3 1373 B16R0.274 CCCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210317 [0,0,1,0,0,0|3,0,0]=4 1374 B16R0.274 CCCCCCCCSCOCCOC(=O)C 62a_100000210759_100000076355 [0,0,1,0,0,0|3,0,0]=4 1375 B16R0.274 CCCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210681 [0,0,1,0,0,0|2,0,1]=4 1376 B16R0.274 CCCCCCCNCCCCCCC(C)C 34a_100000211014_100000210614 [0,0,1,0,0,0|2,0,1]=4 1377 B16R0.274 CCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210681 [0,0,1,0,0,0|2,0,0]=3 1378 B16R0.274 CCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210614 [0,0,1,0,0,0|2,0,0]=3 1379 B16R0.274 CCCCCCCNCCCCCOC(=O)C 2230a_100000229938_100009813381 [0,0,1,0,0,0|2,0,0]=3 1380 B16R0.274 CCCCCCCNCCOCCOC(=O)C 2230a_100000229938_200000083610 [0,0,1,0,0,0|3,0,0]=4 1381 B16R0.274 CCCCCCCOCCCCCOC(=O)C 34a_100000210272_100000033007 [0,0,1,0,0,0|2,0,0]=3 1382 B16R0.274 CCCCCCCOCCCCCOC(=O)C 7a_100000210272_100000033007 [0,0,1,0,0,0|2,0,0]=3 1383 B16R0.274 CCCCCCCOCCOCCOC(=O)C 34a_100000210272_200000083610 [0,0,1,0,0,0|3,0,0]=4 1384 B16R0.274 CCCCCCCOCCOCCOC(=O)C 7a_100000210272_200000083610 [0,0,1,0,0,0|3,0,0]=4 1385 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210316 [0,0,1,0,0,0|2,0,0]=3 1386 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000210614_100000033007 [0,0,1,0,0,0|2,0,0]=3 1387 B16R0.274 CCCCCCCSCCOCCOC(=O)C 62a_100000210614_200000083610 [0,0,1,0,0,0|3,0,0]=4 1388 B16R0.274 CCCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210316 [0,0,1,0,0,0|3,0,0]=4 1389 B16R0.274 CCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210314 [0,0,1,0,0,0|2,0,0]=3 1390 B16R0.274 CCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210314 [0,0,1,0,0,0|2,0,0]=3 1391 B16R0.274 CCCCCCOCCCCCCCC(C)C 34a_200000210741_100000210314 [0,0,1,0,0,0|2,0,1]=4 1392 B16R0.274 CCCCCCOCCCCCCCC(C)C 7a_200000210741_100000210314 [0,0,1,0,0,0|2,0,1]=4 1393 B16R0.274 CCCCCCOCCOCCCCC(=O)C 34a_100000691444_100009817362 [0,0,1,0,0,0|2,0,0]=3 1394 B16R0.274 CCCCCCOCCOCCCCC(=O)C 7a_100000691444_100000735457 [0,0,1,0,0,0|2,0,0]=3 1395 B16R0.274 CCCCCCOCCOCCCOC(=O)C 34a_100000691444_100000042594 [0,0,1,0,0,0|3,0,0]=4 1396 B16R0.274 CCCCCCOCCOCCCOC(=O)C 7a_100000691444_100000042594 [0,0,1,0,0,0|3,0,0]=4 1397 B16R0.274 CCCCCCOCCOCCCSC(=O)C 34a_100000691444_100000038929 [0,0,1,0,0,0|3,0,0]=4 1398 B16R0.274 CCCCCCOCCOCCCSC(=O)C 7a_100000691444_100000038929 [0,0,1,0,0,0|3,0,0]=4 1399 B16R0.274 CCCCCNCCOCCCCCC(=O)N 34a_100000224656_100009817443 [0,0,1,0,0,0|3,0,0]=4 1400 B16R0.274 CCCCCNCCOCCCCOC(=O)C 34a_100000224656_100000033659 [0,0,1,0,0,0|3,0,0]=4 1401 B16R0.274 CCCCCNCCOCCCCSC(=O)C 34a_100000224656_200010402107 [0,0,1,0,0,0|3,0,0]=4 1402 B16R0.274 CCCCCOCCOCCCCCC(=O)N 34a_100011215259_100009817443 [0,0,1,0,0,0|3,0,0]=4 1403 B16R0.274 CCCCCOCCOCCCCCC(=O)N 7a_100011215259_100009817443 [0,0,1,0,0,0|3,0,0]=4 1404 B16R0.274 CCCCCOCCOCCCCOC(=O)C 34a_100011215259_100000033659 [0,0,1,0,0,0|3,0,0]=4 1405 B16R0.274 CCCCCOCCOCCCCOC(=O)C 7a_100011215259_100000033659 [0,0,1,0,0,0|3,0,0]=4 1406 B16R0.274 CCCCCOCCOCCCCSC(=O)C 34a_100011215259_200010402107 [0,0,1,0,0,0|3,0,0]=4 1407 B16R0.274 CCCCCOCCOCCCCSC(=O)C 7a_100011215259_200010402107 [0,0,1,0,0,0|3,0,0]=4 1408 B16R0.274 CCCCNCCCCOCCCCC(=O)C 34a_200011216965_100009817362 [0,0,1,0,0,0|2,0,0]=3 1409 B16R0.274 CCCCNCCCCOCCCOC(=O)C 34a_200011216965_100000042594 [0,0,1,0,0,0|3,0,0]=4 1410 B16R0.274 CCCCNCCCCOCCCSC(=O)C 34a_200011216965_100000038929 [0,0,1,0,0,0|3,0,0]=4 1411 B16R0.274 CCCCOCCCCOCCCCC(=O)C 34a_200000760531_100009817362 [0,0,1,0,0,0|2,0,0]=3 1412 B16R0.274 CCCCOCCCCOCCCCC(=O)C 7a_200000760531_100000735457 [0,0,1,0,0,0|2,0,0]=3 1413 B16R0.274 CCCCOCCCCOCCCOC(=O)C 34a_200000760531_100000042594 [0,0,1,0,0,0|3,0,0]=4 1414 B16R0.274 CCCCOCCCCOCCCOC(=O)C 7a_200000760531_100000042594 [0,0,1,0,0,0|3,0,0]=4 1415 B16R0.274 CCCCOCCCCOCCCSC(=O)C 34a_200000760531_100000038929 [0,0,1,0,0,0|3,0,0]=4 1416 B16R0.274 CCCCOCCCCOCCCSC(=O)C 7a_200000760531_100000038929 [0,0,1,0,0,0|3,0,0]=4 1417 B16R0.274 CCCCOCCCNCCCCCC(=O)N 2230a_200000211371_100009817443 [0,0,1,0,0,0|3,0,0]=4 1418 B16R0.274 CCCCOCCCNCCCCCC(=O)N 34a_200000211371_100009817443 [0,0,1,0,0,0|3,0,0]=4 1419 B16R0.274 CCCCOCCCNCCCCOC(=O)C 34a_200000211371_100000033659 [0,0,1,0,0,0|3,0,0]=4 1420 B16R0.274 CCCCOCCCNCCCCSC(=O)C 2230a_200000211371_200010402107 [0,0,1,0,0,0|3,0,0]=4 1421 B16R0.274 CCCCOCCCNCCCCSC(=O)C 34a_200000211371_200010402107 [0,0,1,0,0,0|3,0,0]=4 1422 B16R0.274 CCCCOCCCOCCCCCC(=O)N 34a_200011215613_100009817443 [0,0,1,0,0,0|3,0,0]=4 1423 B16R0.274 CCCCOCCCOCCCCCC(=O)N 7a_200011215613_100009817443 [0,0,1,0,0,0|3,0,0]=4 1424 B16R0.274 CCCCOCCCOCCCCOC(=O)C 34a_200011215613_100000033659 [0,0,1,0,0,0|3,0,0]=4 1425 B16R0.274 CCCCOCCCOCCCCOC(=O)C 7a_200011215613_100000033659 [0,0,1,0,0,0|3,0,0]=4 1426 B16R0.274 CCCCOCCCOCCCCSC(=O)C 34a_200011215613_200010402107 [0,0,1,0,0,0|3,0,0]=4 1427 B16R0.274 CCCCOCCCOCCCCSC(=O)C 7a_200011215613_200010402107 [0,0,1,0,0,0|3,0,0]=4 1428 B16R0.274 CCCCOCCNCCCCCNC(=O)C 2230a_200012022750_100000743108 [0,0,1,0,0,0|3,0,0]=4 1429 B16R0.274 CCCCOCCNCCCCCNC(=O)C 34a_200012022750_100000743108 [0,0,1,0,0,0|3,0,0]=4 1430 B16R0.274 CCCCOCCOCCCCCOC(=O)C 34a_100000210238_100000033007 [0,0,1,0,0,0|3,0,0]=4 1431 B16R0.274 CCCCOCCOCCCCCOC(=O)C 7a_100000210238_100000033007 [0,0,1,0,0,0|3,0,0]=4 1432 B16R0.274 CCCCOCCOCCOCCCC(=O)C 34a_100011215186_100000685027 [0,0,1,0,0,0|3,0,0]=4 1433 B16R0.274 CCCCOCCOCCOCCCC(=O)C 7a_100011215186_100011215641 [0,0,1,0,0,0|3,0,0]=4 1434 B16R0.274 CCCCOCCSCCCCCOC(=O)C 62a_100000033007_100000743108 [0,0,1,0,0,0|3,0,0]=4 1435 B16R0.274 CCCCOCCSCCCCCOC(=O)C 62a_100000743108_100000033007 [0,0,1,0,0,0|3,0,0]=4 1436 B16R0.274 CCCCOCNCCCCCCNC(=O)C 2230a_200011996284_100011995733 [0,0,1,0,0,0|3,0,0]=4 1437 B16R0.274 CCCCOCNCCCCCCNC(=O)C 34a_200011996284_100011995733 [0,0,1,0,0,0|3,0,0]=4 1438 B16R0.274 CCCCSCCNCCCCCOC(=O)C 2230a_100025743550_100009813381 [0,0,1,0,0,0|3,0,0]=4 1439 B16R0.274 CCCCSCCOCCCCCOC(=O)C 34a_200000230436_100000033007 [0,0,1,0,0,0|3,0,0]=4 1440 B16R0.274 CCCCSCCOCCCCCOC(=O)C 7a_200000230436_100000033007 [0,0,1,0,0,0|3,0,0]=4 1441 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [0,0,1,0,0,0|2,0,0]=3 1442 B16R0.274 CCCOCCCNCCCCCOC(=O)C 2230a_100011217757_100009813381 [0,0,1,0,0,0|3,0,0]=4 1443 B16R0.274 CCCOCCCNCCCCCOC(=O)C 34a_100011217757_100000033007 [0,0,1,0,0,0|3,0,0]=4 1444 B16R0.274 CCCOCCNCCCCCCNC(=O)C 2230a_200011996284_100011215938 [0,0,1,0,0,0|3,0,0]=4 1445 B16R0.274 CCCOCCNCCCCCCNC(=O)C 34a_200011996284_100011215938 [0,0,1,0,0,0|3,0,0]=4 1446 B16R0.274 CCCOCCOCCNCCCCC(=O)C 34a_200011904461_100009817362 [0,0,1,0,0,0|3,0,0]=4 1447 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [0,0,1,0,0,0|2,0,0]=3 1448 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [0,0,1,0,0,0|2,0,0]=3 1449 B16R0.274 CCOCCCCCCCCCOCC(=O)N 34a_100009875440_100000187820 [0,0,1,0,0,0|3,0,0]=4 1450 B16R0.274 CCOCCCCCCCCCOCC(=O)N 7a_100009875440_100000187820 [0,0,1,0,0,0|3,0,0]=4 1451 B16R0.274 CCOCCCCCCCCCOCC(=O)[O-] 34a_100009875440_100020667443 [0,0,1,0,0,0|3,0,0]=4 1452 B16R0.274 CCOCCCNCCCCCCNC(=O)C 2230a_200011996284_100012232248 [0,0,1,0,0,0|3,0,0]=4 1453 B16R0.274 CCOCCCNCCCCCCNC(=O)C 34a_200011996284_100012232248 [0,0,1,0,0,0|3,0,0]=4 1454 B16R0.274 CN(C)CCCCCCCCCCCCCO 2230a_100102631434_100009812470 [0,0,1,0,0,0|1,0,2]=4 1455 B16R0.274 CN(C)CCCCCCCCCCCCCO 269982a_100102631434_100009812470 [0,0,1,0,0,0|1,0,2]=4 1456 B16R0.274 CNCCCCCCCCCCCSC(=O)C 2230a_106832991635_100010140907 [0,0,1,0,0,0|2,0,0]=3 1457 B16R0.274 CNCCCCCCCCCCCSC(=O)C 34a_100102657272_100010140907 [0,0,1,0,0,0|2,0,0]=3 1458 B16R0.274 CNCCCCCCCCCCCSC(=O)C 7a_106832991635_100010140907 [0,0,1,0,0,0|2,0,0]=3 1459 B16R0.274 CNCCCCCOCCCCCOC(=O)C 34a_100000722520_100000033007 [0,0,1,0,0,0|3,0,0]=4 1460 B16R0.274 COCCCCCCCCCCCSC(=O)C 34a_100138415774_100010140907 [0,0,1,0,0,0|2,0,0]=3 1461 B16R0.274 COCCCCCCNCCCCCC(C)C 2230a_100011290863_100011998445 [0,0,1,0,0,0|3,0,0]=4 1462 B16R0.274 COCCCCCCNCCCCCC(C)C 34a_100011290863_100011998445 [0,0,1,0,0,0|3,0,0]=4 1463 B16R0.274 COCCCCCCNCCCCNC(=O)C 2230a_200011368371_100011998445 [0,0,1,0,0,0|3,0,0]=4 1464 B16R0.274 COCCCCCCNCCCCNC(=O)C 34a_200011368371_100011998445 [0,0,1,0,0,0|3,0,0]=4 1465 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_100000123541_100011998445 [0,0,1,0,0,0|3,0,0]=4 1466 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_200012092642_100009817443 [0,0,1,0,0,0|3,0,0]=4 1467 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_100000123541_100011998445 [0,0,1,0,0,0|3,0,0]=4 1468 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_200012092642_100009817443 [0,0,1,0,0,0|3,0,0]=4 1469 B16R0.274 COCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011998445 [0,0,1,0,0,0|3,0,0]=4 1470 B16R0.274 COCCCCCCOCCCCCC(C)C 34a_100011995859_100011998445 [0,0,1,0,0,0|3,0,0]=4 1471 B16R0.274 COCCCCCCOCCCCCC(C)C 34a_200012092642_100000210682 [0,0,1,0,0,0|3,0,0]=4 1472 B16R0.274 COCCCCCCOCCCCCC(C)C 7a_100011995859_100011998445 [0,0,1,0,0,0|3,0,0]=4 1473 B16R0.274 COCCCCCCOCCCCCC(C)C 7a_200012092642_100000210682 [0,0,1,0,0,0|3,0,0]=4 1474 B16R0.274 COCCCCCCOCCCCOC(=O)C 34a_100000073216_100011998445 [0,0,1,0,0,0|3,0,0]=4 1475 B16R0.274 COCCCCCCOCCCCOC(=O)C 34a_200012092642_100000033659 [0,0,1,0,0,0|3,0,0]=4 1476 B16R0.274 COCCCCCCOCCCCOC(=O)C 7a_100000073216_100011998445 [0,0,1,0,0,0|3,0,0]=4 1477 B16R0.274 COCCCCCCOCCCCOC(=O)C 7a_200012092642_100000033659 [0,0,1,0,0,0|3,0,0]=4 1478 B16R0.274 COCCCCCCOCCCCSC(=O)C 34a_200012092642_200010402107 [0,0,1,0,0,0|3,0,0]=4 1479 B16R0.274 COCCCCCCOCCCCSC(=O)C 7a_200012092642_200010402107 [0,0,1,0,0,0|3,0,0]=4 1480 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100009817443_100011998445 [0,0,1,0,0,0|3,0,0]=4 1481 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100011998445_100009817443 [0,0,1,0,0,0|3,0,0]=4 1482 B16R0.274 COCCCCCCSCCCCCC(C)C 62a_100000210682_100011998445 [0,0,1,0,0,0|3,0,0]=4 1483 B16R0.274 COCCCCCCSCCCCCC(C)C 62a_100011998445_100000210682 [0,0,1,0,0,0|3,0,0]=4 1484 B16R0.274 COCCCCCCSCCCCOC(=O)C 62a_100000033659_100011998445 [0,0,1,0,0,0|3,0,0]=4 1485 B16R0.274 COCCCCCCSCCCCOC(=O)C 62a_100011998445_100000033659 [0,0,1,0,0,0|3,0,0]=4 1486 B16R0.274 COCCCCCCSCCCCSC(=O)C 62a_100011998445_200010402107 [0,0,1,0,0,0|3,0,0]=4 1487 B16R0.274 COCCCCCCSCCCCSC(=O)C 62a_200010402107_100011998445 [0,0,1,0,0,0|3,0,0]=4 1488 B16R0.274 COCCCCCNCCCCCOC(=O)C 2230a_100000747528_100009813381 [0,0,1,0,0,0|3,0,0]=4 1489 B16R0.274 COCCCCCNCCCCCOC(=O)C 34a_100000747528_100000033007 [0,0,1,0,0,0|3,0,0]=4 1490 B16R0.274 COCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000730899 [0,0,1,0,0,0|3,0,0]=4 1491 B16R0.274 COCCCCNCCCCCCNC(=O)C 34a_200011996284_100000755781 [0,0,1,0,0,0|3,0,0]=4 1492 B16R0.274 COCCCCOCCCCCCCC(C)C 34a_200000210741_100000755781 [0,0,1,0,0,0|3,0,0]=4 1493 B16R0.274 COCCCCOCCCCCCCC(C)C 7a_200000210741_100000730899 [0,0,1,0,0,0|3,0,0]=4 1494 B16R0.274 COCCCOCCCOCCCCC(=O)C 34a_200011215475_100009817362 [0,0,1,0,0,0|3,0,0]=4 1495 B16R0.274 COCCCOCCCOCCCCC(=O)C 7a_200011215475_100000735457 [0,0,1,0,0,0|3,0,0]=4 1496 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_100000766300_200010167045 [0,0,1,0,0,0|3,0,0]=4 1497 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_200010167045_100000766300 [0,0,1,0,0,0|3,0,0]=4 1498 B16R0.274 CS(=O)CCCNCCCCCCCCCO 2230a_200000753449_100009813782 [0,0,1,0,0,0|3,0,0]=4 1499 B16R0.274 CSCCCCCCCCCCCSC(=O)C 62a_100010140907_200000210301 [0,0,1,0,0,0|2,0,0]=3 1500 B16R0.274 CSCCCCCCCCCCCSC(=O)C 62a_200000210301_100010140907 [0,0,1,0,0,0|2,0,0]=3 1501 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_100011218213_200010167045 [0,0,1,0,0,0|3,0,0]=4 1502 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_200010167045_100011218213 [0,0,1,0,0,0|3,0,0]=4 1503 B16R0.274 NC(=O)CCCCCCCCCCNCCF 34a_100000724931_200010167045 [0,0,1,0,0,0|3,0,0]=4 1504 B16R0.274 NC(=O)CCCCCCCCCCNCCO 2230a_100016997473_200010167045 [0,0,1,0,0,0|3,0,0]=4 1505 B16R0.274 NC(=O)CCCCCCCCCCNCCO 34a_100016990907_200010167045 [0,0,1,0,0,0|3,0,0]=4 1506 B16R0.274 NC(=O)CCCCCCCCCCOCCBr 34a_100000211926_200010167045 [0,0,1,0,0,0|3,0,0]=4 1507 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_100011217306_200010167045 [0,0,1,0,0,0|3,0,0]=4 1508 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_200010167045_100011217306 [0,0,1,0,0,0|3,0,0]=4 1509 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_100000211926_200010167045 [0,0,1,0,0,0|3,0,0]=4 1510 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_200010167045_100000211926 [0,0,1,0,0,0|3,0,0]=4 1511 B16R0.274 NC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009817443 [0,0,1,0,0,0|3,0,0]=4 1512 B16R0.274 NC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009817443 [0,0,1,0,0,0|3,0,0]=4 1513 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009817443 [0,0,1,0,0,0|3,0,0]=4 1514 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009817443 [0,0,1,0,0,0|3,0,0]=4 1515 B16R0.274 NC(=O)CCCCCOCCCCCCCO 34a_100000123541_100000760002 [0,0,1,0,0,0|3,0,0]=4 1516 B16R0.274 NC(=O)CCCCCOCCCCCCCO 7a_100000123541_100000760002 [0,0,1,0,0,0|3,0,0]=4 1517 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009817443 [0,0,1,0,0,0|3,0,0]=4 1518 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100009817443_100000760002 [0,0,1,0,0,0|3,0,0]=4 1519 B16R0.274 NC(=O)CCCCNCCCCCCCCO 34a_100000696515_100000033203 [0,0,1,0,0,0|3,0,0]=4 1520 B16R0.274 NC(=O)CCCCOCCCCCCCCO 34a_100012022536_100000033203 [0,0,1,0,0,0|3,0,0]=4 1521 B16R0.274 NC(=O)CCCCOCCCCCCCCO 7a_100012022536_100000033203 [0,0,1,0,0,0|3,0,0]=4 1522 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [0,0,1,0,0,0|3,0,0]=4 1523 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [0,0,1,0,0,0|3,0,0]=4 1524 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100102525003 [0,0,1,0,0,0|3,0,0]=4 1525 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100102525003 [0,0,1,0,0,0|3,0,0]=4 1526 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100102525003 [0,0,1,0,0,0|3,0,0]=4 1527 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100102525003 [0,0,1,0,0,0|3,0,0]=4 1528 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [0,0,1,0,0,0|3,0,0]=4 1529 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [0,0,1,0,0,0|3,0,0]=4 1530 B16R0.274 NC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000744528 [0,0,1,0,0,0|3,0,0]=4 1531 B16R0.274 NC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000731001 [0,0,1,0,0,0|3,0,0]=4 1532 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000731001 [0,0,1,0,0,0|3,0,0]=4 1533 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000744528 [0,0,1,0,0,0|3,0,0]=4 1534 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000731001 [0,0,1,0,0,0|3,0,0]=4 1535 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000744528 [0,0,1,0,0,0|3,0,0]=4 1536 B16R0.274 NC(=O)CCOCCCCCCCCCCO 34a_100000757172_100009813290 [0,0,1,0,0,0|3,0,0]=4 1537 B16R0.274 NC(=O)CCOCCCCCCCCCCO 7a_100000757172_100009813290 [0,0,1,0,0,0|3,0,0]=4 1538 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100000744528_200000033068 [0,0,1,0,0,0|3,0,0]=4 1539 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000744528 [0,0,1,0,0,0|3,0,0]=4 1540 B16R0.274 NC(=O)CNCCCCCCCCCCCO 2230a_100000711301_100009812471 [0,0,1,0,0,0|3,0,0]=4 1541 B16R0.274 NC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000187820 [0,0,1,0,0,0|3,0,0]=4 1542 B16R0.274 NC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000187820 [0,0,1,0,0,0|3,0,0]=4 1543 B16R0.274 NC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747473 [0,0,1,0,0,0|3,0,0]=4 1544 B16R0.274 NCCCCCCCCCCOCCC(=O)N 34a_100000066964_100000731001 [0,0,1,0,0,0|3,0,0]=4 1545 B16R0.274 NCCCCCCCCCOCCCC(=O)N 34a_100000078944_100102525003 [0,0,1,0,0,0|3,0,0]=4 1546 B16R0.274 NCCCCCCCOCCCCCC(=O)N 34a_100011996573_100009817443 [0,0,1,0,0,0|3,0,0]=4 1547 B16R0.274 NCCOCCCCCCCCCCC(=O)N 34a_100000210304_200010167045 [0,0,1,0,0,0|3,0,0]=4 1548 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [0,0,1,0,0,0|3,0,0]=4 1549 B16R0.274 O=C([O-])CCCCCOCCCCCCCO 7a_100102619762_100000760002 [0,0,1,0,0,0|3,0,0]=4 1550 B16R0.274 O=C([O-])COCCCCCCCCCCCBr 34a_100009812471_100020667443 [0,0,1,0,0,0|3,0,0]=4 1551 B16R0.274 O=C([O-])CSCCCCCCCCCCCO 62a_100009812471_100020667443 [0,0,1,0,0,0|3,0,0]=4 1552 B16R0.302 C=C(C)CC(=O)CCCCCCCCCCC 1458a_100000210736_100000748629 [0,0,1,0,0,0|0,0,2]=3 1553 B16R0.302 C=C(C)CN(C)CCCCCCCCCCC 2230a_100000225649_100011215454 [0,0,1,0,0,0|2,0,0]=3 1554 B16R0.302 C=C(C)CN(C)CCCCCCCCCCC 269982a_100000225649_100011215454 [0,0,1,0,0,0|2,0,0]=3 1555 B16R0.302 C=C(C)CN(C)CCCCCCCCCCO 2230a_100000225649_100009813290 [0,0,1,0,0,0|3,0,0]=4 1556 B16R0.302 C=C(C)CN(C)CCCCCCCCCCO 269982a_100000225649_100009813290 [0,0,1,0,0,0|3,0,0]=4 1557 B16R0.302 C=C(F)CC(=O)CCCCCCCCCCC 1458a_100000210736_100009893438 [0,0,1,0,0,0|1,0,2]=4 1558 B16R0.302 C=CCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100009814027 [0,0,1,0,0,0|0,0,2]=3 1559 B16R0.302 C=CCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100009814027 [0,0,1,0,0,0|1,0,2]=4 1560 B16R0.302 C=CCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100009814027 [0,0,1,0,0,0|1,0,2]=4 1561 B16R0.302 C=CCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100009814027 [0,0,1,0,0,0|1,0,2]=4 1562 B16R0.302 CC(=CC(=O)CCCCCCCCCCO)C 1458a_100000211388_100009813290 [0,0,1,0,0,0|1,0,2]=4 1563 B16R0.302 CC(=O)OC(C)SCCCCCCCCCO 62a_100009813782_100009818208 [0,0,1,0,0,0|3,0,0]=4 1564 B16R0.302 CC(=O)OC(C)SCCCCCCCCCO 62a_100009818208_100009813782 [0,0,1,0,0,0|3,0,0]=4 1565 B16R0.302 CC(C)CC(=O)CCCCCCCCCCO 1458a_100000210554_100009813290 [0,0,1,0,0,0|1,0,0]=2 1566 B16R0.302 CC(C)CC(=O)NCCCCCCCCCO 240690a_100000078944_100000210554 [0,0,1,0,0,0|2,0,0]=3 1567 B16R0.302 CC(C)CN(C)CCCCCCCCCCO 2230a_100000747067_100009813290 [0,0,1,0,0,0|3,0,0]=4 1568 B16R0.302 CC(C)CN(C)CCCCCCCCCCO 269982a_100000747067_100009813290 [0,0,1,0,0,0|3,0,0]=4 1569 B16R0.302 CC(C)NC(=O)CCCCCCCCCCO 240690a_100138425928_200000016029 [0,0,1,0,0,0|2,0,0]=3 1570 B16R0.302 CC(C)NC(=O)CCNCCCCCCCO 2230a_100011996573_100000737564 [0,0,1,0,0,0|3,0,0]=4 1571 B16R0.302 CC(C)NC(=O)CCOCCCCCCCBr 7a_100000760002_100000737564 [0,0,1,0,0,0|3,0,0]=4 1572 B16R0.302 CC(C)NC(=O)CCSCCCCCCCO 62a_100000737564_100000760002 [0,0,1,0,0,0|3,0,0]=4 1573 B16R0.302 CC(C)NC(=O)CCSCCCCCCCO 62a_100000760002_100000737564 [0,0,1,0,0,0|3,0,0]=4 1574 B16R0.302 CC(C)NC(=O)CNCCCCCCCCO 2230a_100000168517_100000033203 [0,0,1,0,0,0|3,0,0]=4 1575 B16R0.302 CC(C)NC(=O)CNCCCCCCCCO 2230a_102515433106_100000183996 [0,0,1,0,0,0|3,0,0]=4 1576 B16R0.302 CC(C)NC(=O)CNCCCCCCCCO 34a_102515433106_100000183996 [0,0,1,0,0,0|3,0,0]=4 1577 B16R0.302 CC(C)NC(=O)COCCCCCCCCBr 34a_100009813846_100000183996 [0,0,1,0,0,0|3,0,0]=4 1578 B16R0.302 CC(C)NC(=O)COCCCCCCCCBr 7a_100009813846_100000183996 [0,0,1,0,0,0|3,0,0]=4 1579 B16R0.302 CC(C)NC(=O)COCCCCCCCCCl 34a_100000033203_100000183996 [0,0,1,0,0,0|3,0,0]=4 1580 B16R0.302 CC(C)NC(=O)COCCCCCCCCCl 7a_100000033203_100000183996 [0,0,1,0,0,0|3,0,0]=4 1581 B16R0.302 CC(C)NC(=O)COCCCCCCCCN 34a_102515433106_100000183996 [0,0,1,0,0,0|3,0,0]=4 1582 B16R0.302 CC(C)NC(=O)CSCCCCCCCCO 62a_100000033203_100000183996 [0,0,1,0,0,0|3,0,0]=4 1583 B16R0.302 CC(C)NC(=O)CSCCCCCCCCO 62a_100000183996_100000033203 [0,0,1,0,0,0|3,0,0]=4 1584 B16R0.302 CC(C)NC(=O)NCCCCCCCCCO 2708a_100000078944_100138425928 [0,0,1,0,0,0|3,0,0]=4 1585 B16R0.302 CC(C)NC(=O)NCCCCCCCCCO 2708a_100138425928_100000078944 [0,0,1,0,0,0|3,0,0]=4 1586 B16R0.302 CC(C)NC(=O)NCCCCCCCCCO 273464a_100138425928_100000078944 [0,0,1,0,0,0|3,0,0]=4 1587 B16R0.302 CC(C)NC(=O)NCCCCCCCCCO 512a_100000078944_100138425928 [0,0,1,0,0,0|3,0,0]=4 1588 B16R0.302 CC(C)NC(=O)NCCCCCCCCCO 512a_100138425928_100000078944 [0,0,1,0,0,0|3,0,0]=4 1589 B16R0.302 CC(C)OC(=O)CCCCCNCCCCO 2230a_100000750430_200010986244 [0,0,1,0,0,0|3,0,0]=4 1590 B16R0.302 CC(C)OC(=O)CCCCCNCCCCO 34a_100000750430_200010986244 [0,0,1,0,0,0|3,0,0]=4 1591 B16R0.302 CC(C)OC(=O)CCCCCOCCCCBr 34a_100011216708_200010986244 [0,0,1,0,0,0|3,0,0]=4 1592 B16R0.302 CC(C)OC(=O)CCCCCOCCCCCl 34a_100000210776_200010986244 [0,0,1,0,0,0|3,0,0]=4 1593 B16R0.302 CC(C)OC(=O)CCCCCOCCCCCl 7a_100000210776_200010986244 [0,0,1,0,0,0|3,0,0]=4 1594 B16R0.302 CC(C)OC(=O)CCCCCOCCCCF 34a_100011995726_200010986244 [0,0,1,0,0,0|3,0,0]=4 1595 B16R0.302 CC(C)OC(=O)CCCCCOCCCCF 7a_100011995726_200010986244 [0,0,1,0,0,0|3,0,0]=4 1596 B16R0.302 CC(C)OC(=O)CCCCCOCCCCI 34a_200012148704_200010986244 [0,0,1,0,0,0|3,0,0]=4 1597 B16R0.302 CC(C)OC(=O)CCCCCOCCCCN 34a_100000750430_200010986244 [0,0,1,0,0,0|3,0,0]=4 1598 B16R0.302 CC(C)OC(=O)CCCCCSCCCCF 62a_100000729493_200010986244 [0,0,1,0,0,0|3,0,0]=4 1599 B16R0.302 CC(C)OC(=O)CCCCCSCCCCF 62a_200010986244_100000729493 [0,0,1,0,0,0|3,0,0]=4 1600 B16R0.302 CC(C)OC(=O)CCCCCSCCCCO 62a_100000210776_200010986244 [0,0,1,0,0,0|3,0,0]=4 1601 B16R0.302 CC(C)OC(=O)CCCCCSCCCCO 62a_200010986244_100000210776 [0,0,1,0,0,0|3,0,0]=4 1602 B16R0.302 CC(C)OC(=O)CCNCCCCCCCO 2230a_100011996573_100000760027 [0,0,1,0,0,0|3,0,0]=4 1603 B16R0.302 CC(C)OC(=O)CCOCCCCCCCBr 7a_100000760002_100000760027 [0,0,1,0,0,0|3,0,0]=4 1604 B16R0.302 CC(C)OC(=O)CCSCCCCCCCO 62a_100000760002_100000760027 [0,0,1,0,0,0|3,0,0]=4 1605 B16R0.302 CC(C)OC(=O)CCSCCCCCCCO 62a_100000760027_100000760002 [0,0,1,0,0,0|3,0,0]=4 1606 B16R0.302 CC(C)OC(=O)CNCCCCCCCCO 2230a_102515433106_100011215430 [0,0,1,0,0,0|3,0,0]=4 1607 B16R0.302 CC(C)OC(=O)CNCCCCCCCCO 34a_102515433106_100011215430 [0,0,1,0,0,0|3,0,0]=4 1608 B16R0.302 CC(C)OC(=O)COCCCCCCCCBr 34a_100009813846_100011215430 [0,0,1,0,0,0|3,0,0]=4 1609 B16R0.302 CC(C)OC(=O)COCCCCCCCCBr 7a_100009813846_100011215430 [0,0,1,0,0,0|3,0,0]=4 1610 B16R0.302 CC(C)OC(=O)COCCCCCCCCCl 34a_100000033203_100011215430 [0,0,1,0,0,0|3,0,0]=4 1611 B16R0.302 CC(C)OC(=O)COCCCCCCCCCl 7a_100000033203_100011215430 [0,0,1,0,0,0|3,0,0]=4 1612 B16R0.302 CC(C)OC(=O)COCCCCCCCCN 34a_102515433106_100011215430 [0,0,1,0,0,0|3,0,0]=4 1613 B16R0.302 CC(C)OC(=O)CSCCCCCCCCO 62a_100000033203_100011215430 [0,0,1,0,0,0|3,0,0]=4 1614 B16R0.302 CC(C)OC(=O)CSCCCCCCCCO 62a_100011215430_100000033203 [0,0,1,0,0,0|3,0,0]=4 1615 B16R0.302 CCCCCCCCC=NNC(=O)CC(C)C 4a_100000189787_100011218696 [0,0,1,0,0,0|2,0,1]=4 1616 B16R0.302 CCCCCCCCCC=CC(=O)CC(C)C 1458a_200015352897_100000210624 [0,0,1,0,0,0|0,0,2]=3 1617 B16R0.302 CCCCCCCCCC=CC(=O)CC(C)O 1458a_200015352897_100011218427 [0,0,1,0,0,0|1,0,2]=4 1618 B16R0.302 CCCCCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015352897 [0,0,1,0,0,0|1,0,2]=4 1619 B16R0.302 CCCCCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015352897 [0,0,1,0,0,0|1,0,2]=4 1620 B16R0.302 CCCCCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015352897 [0,0,1,0,0,0|1,0,2]=4 1621 B16R0.302 CCCCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100011215454 [0,0,1,0,0,0|0,0,2]=3 1622 B16R0.302 CCCCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011215454 [0,0,1,0,0,0|1,0,2]=4 1623 B16R0.302 CCCCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100011215454 [0,0,1,0,0,0|1,0,2]=4 1624 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100000210736_100000187820 [0,0,1,0,0,0|2,0,1]=4 1625 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215454 [0,0,1,0,0,0|2,0,1]=4 1626 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210736_100020667443 [0,0,1,0,0,0|2,0,1]=4 1627 B16R0.302 CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011215454 [0,0,1,0,0,0|0,0,0]=1 1628 B16R0.302 CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210736_100000210624 [0,0,1,0,0,0|0,0,0]=1 1629 B16R0.302 CCCCCCCCCCCC(=O)CC(C)O 1458a_100000210736_100011218427 [0,0,1,0,0,0|1,0,0]=2 1630 B16R0.302 CCCCCCCCCCCC(=O)CC(F)F 1458a_100000210736_100011934356 [0,0,1,0,0,0|2,0,0]=3 1631 B16R0.302 CCCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100011215454 [0,0,1,0,0,0|1,0,0]=2 1632 B16R0.302 CCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215454 [0,0,1,0,0,0|1,0,0]=2 1633 B16R0.302 CCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210736_100000761209 [0,0,1,0,0,0|3,0,0]=4 1634 B16R0.302 CCCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100011215454 [0,0,1,0,0,0|1,0,0]=2 1635 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210736 [0,0,1,0,0,0|1,0,0]=2 1636 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210736 [0,0,1,0,0,0|1,0,0]=2 1637 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210736 [0,0,1,0,0,0|1,0,0]=2 1638 B16R0.302 CCCCCCCCCCCC(C)OC(C)C 34a_100011217895_100000210206 [0,0,1,0,0,0|2,0,1]=4 1639 B16R0.302 CCCCCCCCCCCC(C)OC(C)C 7a_100011217895_100000210206 [0,0,1,0,0,0|2,0,1]=4 1640 B16R0.302 CCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215454 [0,0,1,0,0,0|2,0,0]=3 1641 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [0,0,1,0,0,0|2,0,0]=3 1642 B16R0.302 CCCCCCCCCCCN(C)CC(C)C 2230a_100000747067_100011215454 [0,0,1,0,0,0|2,0,0]=3 1643 B16R0.302 CCCCCCCCCCCN(C)CC(C)C 269982a_100000747067_100011215454 [0,0,1,0,0,0|2,0,0]=3 1644 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011215454 [0,0,1,0,0,0|1,0,2]=4 1645 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100011215454 [0,0,1,0,0,0|1,0,2]=4 1646 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)C 11a_100000684558_100000211388 [0,0,1,0,0,0|1,0,2]=4 1647 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)C 1626a_100000684558_100000211388 [0,0,1,0,0,0|1,0,2]=4 1648 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)C 240690a_100000684558_100000211388 [0,0,1,0,0,0|1,0,2]=4 1649 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 11a_100000684558_100000210554 [0,0,1,0,0,0|1,0,0]=2 1650 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 1626a_100000684558_100000210554 [0,0,1,0,0,0|1,0,0]=2 1651 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 240690a_100000684558_100000210554 [0,0,1,0,0,0|1,0,0]=2 1652 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 527a_100000684558_100000210554 [0,0,1,0,0,0|1,0,0]=2 1653 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C 11a_100000684558_100000750896 [0,0,1,0,0,0|2,0,0]=3 1654 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C 240690a_100000684558_100000750896 [0,0,1,0,0,0|2,0,0]=3 1655 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C 527a_100000684558_100000750896 [0,0,1,0,0,0|2,0,0]=3 1656 B16R0.302 CCCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000684558_100011933948 [0,0,1,0,0,0|2,0,0]=3 1657 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 11a_100000684558_200159257847 [0,0,1,0,0,0|2,0,0]=3 1658 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 1626a_100000684558_200159257847 [0,0,1,0,0,0|2,0,0]=3 1659 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 240690a_100000684558_200159257847 [0,0,1,0,0,0|2,0,0]=3 1660 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 527a_100000684558_200159257847 [0,0,1,0,0,0|2,0,0]=3 1661 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 2708a_100000684558_100138425928 [0,0,1,0,0,0|2,0,0]=3 1662 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000684558 [0,0,1,0,0,0|2,0,0]=3 1663 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000684558 [0,0,1,0,0,0|2,0,0]=3 1664 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 512a_100000684558_100138425928 [0,0,1,0,0,0|2,0,0]=3 1665 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000684558 [0,0,1,0,0,0|2,0,0]=3 1666 B16R0.302 CCCCCCCCCCNC(C)CC(C)C 2230a_100000684558_100000731052 [0,0,1,0,0,0|2,0,1]=4 1667 B16R0.302 CCCCCCCCCCNC(C)CC(C)C 2230a_100000692259_100000210320 [0,0,1,0,0,0|2,0,1]=4 1668 B16R0.302 CCCCCCCCCCNC(C)CC(C)C 34a_100000684558_100000731052 [0,0,1,0,0,0|2,0,1]=4 1669 B16R0.302 CCCCCCCCCCOC(=O)CC(=O)C 1458a_100000070787_100000210668 [0,0,1,0,0,0|2,0,1]=4 1670 B16R0.302 CCCCCCCCCCOC(=O)CN(C)C 2230a_100102631434_100000210668 [0,0,1,0,0,0|2,0,0]=3 1671 B16R0.302 CCCCCCCCCCOC(=O)CN(C)C 269982a_100102631434_100000210668 [0,0,1,0,0,0|2,0,0]=3 1672 B16R0.302 CCCCCCCCCCOC(C)C=C(C)C 34a_100000717055_100000210320 [0,0,1,0,0,0|2,0,1]=4 1673 B16R0.302 CCCCCCCCCCOC(C)CC(C)C 34a_100000210711_100000731052 [0,0,1,0,0,0|2,0,1]=4 1674 B16R0.302 CCCCCCCCCCOC(C)CC(C)C 34a_100000211805_100000210320 [0,0,1,0,0,0|2,0,1]=4 1675 B16R0.302 CCCCCCCCCCOC(C)CC(C)C 7a_100000210711_100000731052 [0,0,1,0,0,0|2,0,1]=4 1676 B16R0.302 CCCCCCCCCCOC(C)CC(C)C 7a_100000211805_100000210320 [0,0,1,0,0,0|2,0,1]=4 1677 B16R0.302 CCCCCCCCCCSC(C)CN(C)C 62a_100020606517_100000210320 [0,0,1,0,0,0|3,0,0]=4 1678 B16R0.302 CCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210320 [0,0,1,0,0,0|2,0,0]=3 1679 B16R0.302 CCCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100011214924 [0,0,1,0,0,0|2,0,0]=3 1680 B16R0.302 CCCCCCCCCNCC(=O)NC(C)C 2230a_100000212291_100000183996 [0,0,1,0,0,0|2,0,0]=3 1681 B16R0.302 CCCCCCCCCNCC(=O)NC(C)C 34a_100000212291_100000183996 [0,0,1,0,0,0|2,0,0]=3 1682 B16R0.302 CCCCCCCCCNCC(=O)OC(C)C 2230a_100000212291_100011215430 [0,0,1,0,0,0|2,0,0]=3 1683 B16R0.302 CCCCCCCCCNCC(=O)OC(C)C 34a_100000212291_100011215430 [0,0,1,0,0,0|2,0,0]=3 1684 B16R0.302 CCCCCCCCCNCC(C)CN(C)C 2230a_100000212291_100015348159 [0,0,1,0,0,0|3,0,0]=4 1685 B16R0.302 CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210670 [0,0,1,0,0,0|3,0,0]=4 1686 B16R0.302 CCCCCCCCCOCC(=O)NC(C)C 34a_100000210712_100000183996 [0,0,1,0,0,0|2,0,0]=3 1687 B16R0.302 CCCCCCCCCOCC(=O)NC(C)C 7a_100000210712_100000183996 [0,0,1,0,0,0|2,0,0]=3 1688 B16R0.302 CCCCCCCCCOCC(=O)OC(C)C 34a_100000210712_100011215430 [0,0,1,0,0,0|2,0,0]=3 1689 B16R0.302 CCCCCCCCCOCC(=O)OC(C)C 7a_100000210712_100011215430 [0,0,1,0,0,0|2,0,0]=3 1690 B16R0.302 CCCCCCCCCOCC(C)CN(C)C 7a_100000210712_100015348159 [0,0,1,0,0,0|3,0,0]=4 1691 B16R0.302 CCCCCCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100011214924 [0,0,1,0,0,0|2,0,1]=4 1692 B16R0.302 CCCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210670 [0,0,1,0,0,0|2,0,0]=3 1693 B16R0.302 CCCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210670 [0,0,1,0,0,0|2,0,0]=3 1694 B16R0.302 CCCCCCCCCSCC(C)CN(C)C 62a_100015348159_100000210670 [0,0,1,0,0,0|3,0,0]=4 1695 B16R0.302 CCCCCCCCNCCC(=O)NC(C)C 2230a_100000229939_100000737564 [0,0,1,0,0,0|2,0,0]=3 1696 B16R0.302 CCCCCCCCNCCC(=O)OC(C)C 2230a_100000229939_100000760027 [0,0,1,0,0,0|2,0,0]=3 1697 B16R0.302 CCCCCCCCOCCC(=O)NC(C)C 7a_100000210232_100000737564 [0,0,1,0,0,0|2,0,0]=3 1698 B16R0.302 CCCCCCCCOCCC(=O)OC(C)C 7a_100000210232_100000760027 [0,0,1,0,0,0|2,0,0]=3 1699 B16R0.302 CCCCCCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210759 [0,0,1,0,0,0|2,0,1]=4 1700 B16R0.302 CCCCCCCCSCCC(=O)NC(C)C 62a_100000210759_100000737564 [0,0,1,0,0,0|2,0,0]=3 1701 B16R0.302 CCCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210317 [0,0,1,0,0,0|2,0,0]=3 1702 B16R0.302 CCCCCCCCSCCC(=O)OC(C)C 62a_100000210759_100000760027 [0,0,1,0,0,0|2,0,0]=3 1703 B16R0.302 CCCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210317 [0,0,1,0,0,0|2,0,0]=3 1704 B16R0.302 CCCCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210317 [0,0,1,0,0,0|3,0,0]=4 1705 B16R0.302 CCCCCCCCSCOC(=O)OC(C)C 62a_100000210759_100000003507 [0,0,1,0,0,0|3,0,0]=4 1706 B16R0.302 CCCCCCOCCOCC(=O)NC(C)C 34a_100000691444_100000183996 [0,0,1,0,0,0|3,0,0]=4 1707 B16R0.302 CCCCCCOCCOCC(=O)NC(C)C 7a_100000691444_100000183996 [0,0,1,0,0,0|3,0,0]=4 1708 B16R0.302 CCCCCCOCCOCC(=O)OC(C)C 34a_100000691444_100011215430 [0,0,1,0,0,0|3,0,0]=4 1709 B16R0.302 CCCCCCOCCOCC(=O)OC(C)C 7a_100000691444_100011215430 [0,0,1,0,0,0|3,0,0]=4 1710 B16R0.302 CCCCCNCCCCCC(=O)OC(C)C 2230a_100000209983_200010986244 [0,0,1,0,0,0|2,0,0]=3 1711 B16R0.302 CCCCCOCCCCCC(=O)OC(C)C 34a_100000210253_200010986244 [0,0,1,0,0,0|2,0,0]=3 1712 B16R0.302 CCCCCOCCCCCC(=O)OC(C)C 7a_100000210253_200010986244 [0,0,1,0,0,0|2,0,0]=3 1713 B16R0.302 CCCCCOCCOCCC(=O)NC(C)C 7a_100011215259_100000737564 [0,0,1,0,0,0|3,0,0]=4 1714 B16R0.302 CCCCCOCCOCCC(=O)OC(C)C 7a_100011215259_100000760027 [0,0,1,0,0,0|3,0,0]=4 1715 B16R0.302 CCCCCSCCCCCC(=O)OC(C)C 62a_100000210326_200010986244 [0,0,1,0,0,0|2,0,0]=3 1716 B16R0.302 CCCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210326 [0,0,1,0,0,0|2,0,0]=3 1717 B16R0.302 CCCCNCCCCOCC(=O)NC(C)C 34a_200011216965_100000183996 [0,0,1,0,0,0|3,0,0]=4 1718 B16R0.302 CCCCNCCCCOCC(=O)OC(C)C 34a_200011216965_100011215430 [0,0,1,0,0,0|3,0,0]=4 1719 B16R0.302 CCCCOCCCCOCC(=O)NC(C)C 34a_200000760531_100000183996 [0,0,1,0,0,0|3,0,0]=4 1720 B16R0.302 CCCCOCCCCOCC(=O)NC(C)C 7a_200000760531_100000183996 [0,0,1,0,0,0|3,0,0]=4 1721 B16R0.302 CCCCOCCCCOCC(=O)OC(C)C 34a_200000760531_100011215430 [0,0,1,0,0,0|3,0,0]=4 1722 B16R0.302 CCCCOCCCCOCC(=O)OC(C)C 7a_200000760531_100011215430 [0,0,1,0,0,0|3,0,0]=4 1723 B16R0.302 CCCCOCCCNCCC(=O)NC(C)C 2230a_200000211371_100000737564 [0,0,1,0,0,0|3,0,0]=4 1724 B16R0.302 CCCCOCCCNCCC(=O)OC(C)C 2230a_200000211371_100000760027 [0,0,1,0,0,0|3,0,0]=4 1725 B16R0.302 CCCCOCCCOCCC(=O)NC(C)C 7a_200011215613_100000737564 [0,0,1,0,0,0|3,0,0]=4 1726 B16R0.302 CCCCOCCCOCCC(=O)OC(C)C 7a_200011215613_100000760027 [0,0,1,0,0,0|3,0,0]=4 1727 B16R0.302 CCOCCNCCCCCC(=O)OC(C)C 2230a_102516460346_200010986244 [0,0,1,0,0,0|3,0,0]=4 1728 B16R0.302 CCOCCNCCCCCC(=O)OC(C)C 34a_102516460346_200010986244 [0,0,1,0,0,0|3,0,0]=4 1729 B16R0.302 CCOCCOCCCCCC(=O)OC(C)C 34a_100000210136_200010986244 [0,0,1,0,0,0|3,0,0]=4 1730 B16R0.302 CCOCCOCCCCCC(=O)OC(C)C 7a_100000210136_200010986244 [0,0,1,0,0,0|3,0,0]=4 1731 B16R0.302 CCOCCSCCCCCC(=O)OC(C)C 62a_100000210147_200010986244 [0,0,1,0,0,0|3,0,0]=4 1732 B16R0.302 CCOCCSCCCCCC(=O)OC(C)C 62a_200010986244_100011215890 [0,0,1,0,0,0|3,0,0]=4 1733 B16R0.302 CCSCCNCCCCCC(=O)OC(C)C 2230a_100000106463_200010986244 [0,0,1,0,0,0|3,0,0]=4 1734 B16R0.302 CCSCCOCCCCCC(=O)OC(C)C 34a_100000212035_200010986244 [0,0,1,0,0,0|3,0,0]=4 1735 B16R0.302 CCSCCOCCCCCC(=O)OC(C)C 7a_100000212035_200010986244 [0,0,1,0,0,0|3,0,0]=4 1736 B16R0.302 CCSCCSCCCCCC(=O)OC(C)C 62a_100000757381_200010986244 [0,0,1,0,0,0|3,0,0]=4 1737 B16R0.302 CCSCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000757381 [0,0,1,0,0,0|3,0,0]=4 1738 B16R0.302 CN(C)CC(=O)CCCCCCCCCCO 1458a_100000750896_100009813290 [0,0,1,0,0,0|2,0,0]=3 1739 B16R0.302 CN(C)CC(=O)NCCCCCCCCCO 240690a_100000078944_100000750896 [0,0,1,0,0,0|3,0,0]=4 1740 B16R0.302 CN(CCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813290 [0,0,1,0,0,0|3,0,0]=4 1741 B16R0.302 CN(CCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813290 [0,0,1,0,0,0|3,0,0]=4 1742 B16R0.302 CNCCCOCCCCCC(=O)OC(C)C 34a_100000213112_200010986244 [0,0,1,0,0,0|3,0,0]=4 1743 B16R0.302 COCCCCCCOCCC(=O)NC(C)C 7a_200012092642_100000737564 [0,0,1,0,0,0|3,0,0]=4 1744 B16R0.302 COCCCCCCOCCC(=O)OC(C)C 7a_200012092642_100000760027 [0,0,1,0,0,0|3,0,0]=4 1745 B16R0.302 COCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100011998445 [0,0,1,0,0,0|3,0,0]=4 1746 B16R0.302 COCCCCCCSCCC(=O)NC(C)C 62a_100011998445_100000737564 [0,0,1,0,0,0|3,0,0]=4 1747 B16R0.302 COCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100011998445 [0,0,1,0,0,0|3,0,0]=4 1748 B16R0.302 COCCCCCCSCCC(=O)OC(C)C 62a_100011998445_100000760027 [0,0,1,0,0,0|3,0,0]=4 1749 B16R0.302 COCCCNCCCCCC(=O)OC(C)C 34a_100150723488_200010986244 [0,0,1,0,0,0|3,0,0]=4 1750 B16R0.302 COCCCOCCCCCC(=O)OC(C)C 34a_100000740835_200010986244 [0,0,1,0,0,0|3,0,0]=4 1751 B16R0.302 COCCCSCCCCCC(=O)OC(C)C 62a_100000709357_200010986244 [0,0,1,0,0,0|3,0,0]=4 1752 B16R0.302 COCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000709357 [0,0,1,0,0,0|3,0,0]=4 1753 B16R0.302 CSCCCNCCCCCC(=O)OC(C)C 2230a_100000749238_200010986244 [0,0,1,0,0,0|3,0,0]=4 1754 B16R0.302 CSCCCOCCCCCC(=O)OC(C)C 34a_100000690336_200010986244 [0,0,1,0,0,0|3,0,0]=4 1755 B16R0.302 CSCCCOCCCCCC(=O)OC(C)C 7a_100000690336_200010986244 [0,0,1,0,0,0|3,0,0]=4 1756 B16R0.302 C[C@@H](O)CC(=O)CCCCCCCCCCO 1458a_100011933948_100009813290 [0,0,1,0,0,0|2,0,0]=3 1757 B16R0.302 C[C@@H](O)CC(=O)NCCCCCCCCCO 240690a_100000078944_100011933948 [0,0,1,0,0,0|3,0,0]=4 1758 B16R0.302 C[S+](C)CC(=O)CCCCCCCCCCO 1458a_200159257847_100009813290 [0,0,1,0,0,0|2,0,0]=3 1759 B16R0.302 C[S+](C)CC(=O)NCCCCCCCCCO 240690a_100000078944_200159257847 [0,0,1,0,0,0|3,0,0]=4 1760 B16R0.1182 C#CC(C)NC(=O)CCCCCCCCCC 11a_100000707721_100000210375 [0,0,1,0,0,0|1,0,2]=4 1761 B16R0.1182 C#CC(C)NC(=O)CCCCCCCCCC 1626a_100000707721_100000210375 [0,0,1,0,0,0|1,0,2]=4 1762 B16R0.1182 C#CC(C)NC(=O)CCCCCCCCCC 240690a_100000707721_100000210375 [0,0,1,0,0,0|1,0,2]=4 1763 B16R0.1182 C#CCCCCCCCCC(=O)CC(C)CC 1458a_100000029693_100000748023 [0,0,1,0,0,0|0,0,2]=3 1764 B16R0.1182 C#CCCCCCCCCC(=O)CC(O)CC 1458a_100000029693_100011218378 [0,0,1,0,0,0|1,0,2]=4 1765 B16R0.1182 C#CCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000029693_100009816398 [0,0,1,0,0,0|0,0,2]=3 1766 B16R0.1182 C#CCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000029693_100000059175 [0,0,1,0,0,0|1,0,2]=4 1767 B16R0.1182 C#CCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000029693 [0,0,1,0,0,0|1,0,2]=4 1768 B16R0.1182 C#CCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000029693 [0,0,1,0,0,0|1,0,2]=4 1769 B16R0.1182 C#CCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000029693 [0,0,1,0,0,0|1,0,2]=4 1770 B16R0.1182 C#CCCCCCCCCC(=O)NC(C)CC 527a_100000209981_100000029693 [0,0,1,0,0,0|1,0,2]=4 1771 B16R0.1182 C=CC(C)CC(=O)CCCCCCCCCC 1458a_100011934298_100000210319 [0,0,1,0,0,0|0,0,2]=3 1772 B16R0.1182 C=CC(C)CC(=O)CCCCCCCCCO 1458a_100011934298_100009813782 [0,0,1,0,0,0|1,0,2]=4 1773 B16R0.1182 C=CC(C)CC(=O)NCCCCCCCCC 11a_100000212291_100011934298 [0,0,1,0,0,0|1,0,2]=4 1774 B16R0.1182 C=CC(C)CC(=O)NCCCCCCCCC 1626a_100000212291_100011934298 [0,0,1,0,0,0|1,0,2]=4 1775 B16R0.1182 C=CC(C)CC(=O)NCCCCCCCCC 240690a_100000212291_100011934298 [0,0,1,0,0,0|1,0,2]=4 1776 B16R0.1182 C=CC(C)CC(=O)NCCCCCCCCC 527a_100000212291_100011934298 [0,0,1,0,0,0|1,0,2]=4 1777 B16R0.1182 C=CCCCCCCCCC(=O)CC(C)CC 1458a_100000211349_100000748023 [0,0,1,0,0,0|0,0,2]=3 1778 B16R0.1182 C=CCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100011933949 [0,0,1,0,0,0|0,0,2]=3 1779 B16R0.1182 C=CCCCCCCCCC(=O)CC(O)CC 1458a_100000211349_100011218378 [0,0,1,0,0,0|1,0,2]=4 1780 B16R0.1182 C=CCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100011933949 [0,0,1,0,0,0|1,0,2]=4 1781 B16R0.1182 C=CCCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100011933949 [0,0,1,0,0,0|1,0,2]=4 1782 B16R0.1182 C=CCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000211349_100009816398 [0,0,1,0,0,0|0,0,2]=3 1783 B16R0.1182 C=CCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000211349_100000059175 [0,0,1,0,0,0|1,0,2]=4 1784 B16R0.1182 C=CCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000211349 [0,0,1,0,0,0|1,0,2]=4 1785 B16R0.1182 C=CCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000211349 [0,0,1,0,0,0|1,0,2]=4 1786 B16R0.1182 C=CCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000211349 [0,0,1,0,0,0|1,0,2]=4 1787 B16R0.1182 C=CCCCCCCCCC(=O)NC(C)CC 527a_100000209981_100000211349 [0,0,1,0,0,0|1,0,2]=4 1788 B16R0.1182 CC#CCCCCCCCC(=O)CC(C)CC 1458a_100000066323_100000748023 [0,0,1,0,0,0|0,0,2]=3 1789 B16R0.1182 CC#CCCCCCCCC(=O)CC(O)CC 1458a_100000066323_100011218378 [0,0,1,0,0,0|1,0,2]=4 1790 B16R0.1182 CC#CCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000066323_100009816398 [0,0,1,0,0,0|0,0,2]=3 1791 B16R0.1182 CC#CCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000066323_100000059175 [0,0,1,0,0,0|1,0,2]=4 1792 B16R0.1182 CC#CCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000066323 [0,0,1,0,0,0|1,0,2]=4 1793 B16R0.1182 CC#CCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000066323 [0,0,1,0,0,0|1,0,2]=4 1794 B16R0.1182 CC#CCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000066323 [0,0,1,0,0,0|1,0,2]=4 1795 B16R0.1182 CC#CCCCCCCCC(=O)NC(C)CC 527a_100000209981_100000066323 [0,0,1,0,0,0|1,0,2]=4 1796 B16R0.1182 CCC#CCCCCCCC(=O)CC(C)CC 1458a_100000708755_200000036426 [0,0,1,0,0,0|0,0,2]=3 1797 B16R0.1182 CCC#CCCCCCCC(=O)CC(O)CC 1458a_100011667805_200000036426 [0,0,1,0,0,0|1,0,2]=4 1798 B16R0.1182 CCC#CCCCCCCC(=O)CN(C)CC 1458a_100116209913_200000036426 [0,0,1,0,0,0|1,0,2]=4 1799 B16R0.1182 CCC(=CC(=O)CCCCCCCCCO)C 1458a_100020758463_100009813782 [0,0,1,0,0,0|1,0,2]=4 1800 B16R0.1182 CCC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000747405 [0,0,1,0,0,0|2,0,1]=4 1801 B16R0.1182 CCC(C)CC(=O)CCCCCCCCCF 1458a_200009909015_100000748023 [0,0,1,0,0,0|1,0,0]=2 1802 B16R0.1182 CCC(C)CC(=O)CCCCCCCCCO 1458a_100000708755_100009813782 [0,0,1,0,0,0|1,0,0]=2 1803 B16R0.1182 CCC(C)CC(=O)CCOCCOCCOC 1458a_100000708755_100013367474 [0,0,1,0,0,0|3,0,0]=4 1804 B16R0.1182 CCC(C)CC(=O)CCOCCOCCOC 1458a_100012278103_100000748023 [0,0,1,0,0,0|3,0,0]=4 1805 B16R0.1182 CCC(C)CC(=O)NCCCCCCCCO 240690a_102515433106_100000708755 [0,0,1,0,0,0|2,0,0]=3 1806 B16R0.1182 CCC(C)CN(C)CCCCCCCCCO 2230a_100000753921_100009813782 [0,0,1,0,0,0|3,0,0]=4 1807 B16R0.1182 CCC(C)CN(C)CCCCCCCCCO 269982a_100000753921_100009813782 [0,0,1,0,0,0|3,0,0]=4 1808 B16R0.1182 CCC(C)NC(=O)CCCCCCCCCF 11a_100000209981_200009909015 [0,0,1,0,0,0|2,0,0]=3 1809 B16R0.1182 CCC(C)NC(=O)CCCCCCCCCF 240690a_100000209981_200009909015 [0,0,1,0,0,0|2,0,0]=3 1810 B16R0.1182 CCC(C)NC(=O)CCCCCCCCCF 527a_100000209981_200009909015 [0,0,1,0,0,0|2,0,0]=3 1811 B16R0.1182 CCC(C)NC(=O)CCCCCCCCCO 240690a_100000209981_100000032657 [0,0,1,0,0,0|2,0,0]=3 1812 B16R0.1182 CCC(C)NC(=O)CNCCCCCCCO 2230a_100011996573_100000182745 [0,0,1,0,0,0|3,0,0]=4 1813 B16R0.1182 CCC(C)NC(=O)CNCCCCCCCO 34a_100011996573_100000182745 [0,0,1,0,0,0|3,0,0]=4 1814 B16R0.1182 CCC(C)NC(=O)COCCCCCCCBr 34a_100000760002_100000182745 [0,0,1,0,0,0|3,0,0]=4 1815 B16R0.1182 CCC(C)NC(=O)COCCCCCCCBr 7a_100000760002_100000182745 [0,0,1,0,0,0|3,0,0]=4 1816 B16R0.1182 CCC(C)NC(=O)COCCCCCCCN 34a_100011996573_100000182745 [0,0,1,0,0,0|3,0,0]=4 1817 B16R0.1182 CCC(C)NC(=O)COCCCCCCOC 34a_200012092642_100000182745 [0,0,1,0,0,0|3,0,0]=4 1818 B16R0.1182 CCC(C)NC(=O)COCCCCCCOC 7a_200012092642_100000182745 [0,0,1,0,0,0|3,0,0]=4 1819 B16R0.1182 CCC(C)NC(=O)CSCCCCCCCO 62a_100000182745_100000760002 [0,0,1,0,0,0|3,0,0]=4 1820 B16R0.1182 CCC(C)NC(=O)CSCCCCCCCO 62a_100000760002_100000182745 [0,0,1,0,0,0|3,0,0]=4 1821 B16R0.1182 CCC(C)NC(=O)CSCCCCCCOC 62a_100000182745_100011998445 [0,0,1,0,0,0|3,0,0]=4 1822 B16R0.1182 CCC(C)NC(=O)CSCCCCCCOC 62a_100011998445_100000182745 [0,0,1,0,0,0|3,0,0]=4 1823 B16R0.1182 CCC(C)NC(=O)NCCCCCCCCO 2708a_100000209981_102515433106 [0,0,1,0,0,0|3,0,0]=4 1824 B16R0.1182 CCC(C)NC(=O)NCCCCCCCCO 2708a_102515433106_100000209981 [0,0,1,0,0,0|3,0,0]=4 1825 B16R0.1182 CCC(C)NC(=O)NCCCCCCCCO 273464a_100000209981_102515433106 [0,0,1,0,0,0|3,0,0]=4 1826 B16R0.1182 CCC(C)NC(=O)NCCCCCCCCO 273464a_102515433106_100000209981 [0,0,1,0,0,0|3,0,0]=4 1827 B16R0.1182 CCC(C)NC(=O)NCCCCCCCCO 512a_100000209981_102515433106 [0,0,1,0,0,0|3,0,0]=4 1828 B16R0.1182 CCC(C)NC(=O)NCCCCCCCCO 512a_102515433106_100000209981 [0,0,1,0,0,0|3,0,0]=4 1829 B16R0.1182 CCC(O)CC(=O)CCCCCCCCCF 1458a_200009909015_100011218378 [0,0,1,0,0,0|2,0,0]=3 1830 B16R0.1182 CCC(O)CC(=O)CCCCCCCCCO 1458a_100011667805_100009813782 [0,0,1,0,0,0|2,0,0]=3 1831 B16R0.1182 CCC(O)CC(=O)NCCCCCCCCO 240690a_102515433106_100011667805 [0,0,1,0,0,0|3,0,0]=4 1832 B16R0.1182 CCCCCCCCC=CC(=O)CC(C)CC 1458a_100015345288_100000748023 [0,0,1,0,0,0|0,0,2]=3 1833 B16R0.1182 CCCCCCCCC=CC(=O)CC(O)CC 1458a_100015345288_100011218378 [0,0,1,0,0,0|1,0,2]=4 1834 B16R0.1182 CCCCCCCCC=CC(=O)C[C@@H](C)CC 1458a_100015345288_100009816398 [0,0,1,0,0,0|0,0,2]=3 1835 B16R0.1182 CCCCCCCCC=CC(=O)C[C@@H](C)CO 1458a_100015345288_100000059175 [0,0,1,0,0,0|1,0,2]=4 1836 B16R0.1182 CCCCCCCCC=CC(=O)NC(C)CC 11a_100000209981_100015345288 [0,0,1,0,0,0|1,0,2]=4 1837 B16R0.1182 CCCCCCCCC=CC(=O)NC(C)CC 1626a_100000209981_100015345288 [0,0,1,0,0,0|1,0,2]=4 1838 B16R0.1182 CCCCCCCCC=CC(=O)NC(C)CC 240690a_100000209981_100015345288 [0,0,1,0,0,0|1,0,2]=4 1839 B16R0.1182 CCCCCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210319 [0,0,1,0,0,0|0,0,2]=3 1840 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)CC 1458a_100000210375_100000747405 [0,0,1,0,0,0|1,0,1]=3 1841 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)NC 1458a_100000210375_100000183359 [0,0,1,0,0,0|2,0,1]=4 1842 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000210375_100000747449 [0,0,1,0,0,0|2,0,1]=4 1843 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210319 [0,0,1,0,0,0|2,0,1]=4 1844 B16R0.1182 CCCCCCCCCCC(=O)CC(C)CC 1458a_100000210375_100000748023 [0,0,1,0,0,0|0,0,0]=1 1845 B16R0.1182 CCCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210319 [0,0,1,0,0,0|0,0,0]=1 1846 B16R0.1182 CCCCCCCCCCC(=O)CC(O)CC 1458a_100000210375_100011218378 [0,0,1,0,0,0|1,0,0]=2 1847 B16R0.1182 CCCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210319 [0,0,1,0,0,0|1,0,0]=2 1848 B16R0.1182 CCCCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210319 [0,0,1,0,0,0|1,0,0]=2 1849 B16R0.1182 CCCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210375_100009816398 [0,0,1,0,0,0|0,0,0]=1 1850 B16R0.1182 CCCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000210375_100000059175 [0,0,1,0,0,0|1,0,0]=2 1851 B16R0.1182 CCCCCCCCCCC(=O)NC(C)C#N 11a_100000737613_100000210375 [0,0,1,0,0,0|2,0,1]=4 1852 B16R0.1182 CCCCCCCCCCC(=O)NC(C)C#N 1626a_100000737613_100000210375 [0,0,1,0,0,0|2,0,1]=4 1853 B16R0.1182 CCCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000210375 [0,0,1,0,0,0|1,0,0]=2 1854 B16R0.1182 CCCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000210375 [0,0,1,0,0,0|1,0,0]=2 1855 B16R0.1182 CCCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000210375 [0,0,1,0,0,0|1,0,0]=2 1856 B16R0.1182 CCCCCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210375 [0,0,1,0,0,0|2,0,0]=3 1857 B16R0.1182 CCCCCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210375 [0,0,1,0,0,0|2,0,0]=3 1858 B16R0.1182 CCCCCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210375 [0,0,1,0,0,0|2,0,0]=3 1859 B16R0.1182 CCCCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210375 [0,0,1,0,0,0|2,0,0]=3 1860 B16R0.1182 CCCCCCCCCCC(C)NC(C)CC 270004a_100000209981_200011219864 [0,0,1,0,0,0|2,0,1]=4 1861 B16R0.1182 CCCCCCCCCCC(C)OC(C)CC 34a_100011215000_100011215416 [0,0,1,0,0,0|2,0,1]=4 1862 B16R0.1182 CCCCCCCCCCC(C)OC(C)CC 7a_100011215000_100000758301 [0,0,1,0,0,0|2,0,1]=4 1863 B16R0.1182 CCCCCCCCCCN(C)CC(=O)CC 269982a_100000207566_100000747405 [0,0,1,0,0,0|1,0,0]=2 1864 B16R0.1182 CCCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210320 [0,0,1,0,0,0|2,0,0]=3 1865 B16R0.1182 CCCCCCCCCCN(C)CC(=O)NC 2230a_100000207566_100000183359 [0,0,1,0,0,0|2,0,0]=3 1866 B16R0.1182 CCCCCCCCCCN(C)CC(=O)NC 269982a_100000207566_100000183359 [0,0,1,0,0,0|2,0,0]=3 1867 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210320 [0,0,1,0,0,0|2,0,0]=3 1868 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000207566_100000747449 [0,0,1,0,0,0|2,0,0]=3 1869 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 269982a_100000207566_100000747449 [0,0,1,0,0,0|2,0,0]=3 1870 B16R0.1182 CCCCCCCCCCN(C)CC(C)CC 2230a_100000207566_100000748023 [0,0,1,0,0,0|2,0,0]=3 1871 B16R0.1182 CCCCCCCCCCN(C)CC(C)CC 2230a_100000753921_100000210320 [0,0,1,0,0,0|2,0,0]=3 1872 B16R0.1182 CCCCCCCCCCN(C)CC(C)CC 269982a_100000207566_100000748023 [0,0,1,0,0,0|2,0,0]=3 1873 B16R0.1182 CCCCCCCCCCN(C)CC(C)CC 269982a_100000753921_100000210320 [0,0,1,0,0,0|2,0,0]=3 1874 B16R0.1182 CCCCCCCCCCN(C)CC(C)CC 270004a_100000207566_100000243153 [0,0,1,0,0,0|2,0,0]=3 1875 B16R0.1182 CCCCCCCCCCN(C)CC(O)CC 2230a_100000207566_100011218378 [0,0,1,0,0,0|1,0,2]=4 1876 B16R0.1182 CCCCCCCCCCN(C)CC(O)CC 269982a_100000207566_100011218378 [0,0,1,0,0,0|1,0,2]=4 1877 B16R0.1182 CCCCCCCCCCN(C)C[C@@H](C)CC 2230a_100000207566_100009816398 [0,0,1,0,0,0|2,0,0]=3 1878 B16R0.1182 CCCCCCCCCCN(C)C[C@@H](C)CC 269982a_100000207566_100009816398 [0,0,1,0,0,0|2,0,0]=3 1879 B16R0.1182 CCCCCCCCCCN(C)C[C@@H](C)CO 2230a_100000207566_100000059175 [0,0,1,0,0,0|3,0,0]=4 1880 B16R0.1182 CCCCCCCCCCN(C)C[C@@H](C)CO 269982a_100000207566_100000059175 [0,0,1,0,0,0|3,0,0]=4 1881 B16R0.1182 CCCCCCCCCNC(=O)C=C(C)CC 11a_100000212291_100020758463 [0,0,1,0,0,0|1,0,2]=4 1882 B16R0.1182 CCCCCCCCCNC(=O)C=C(C)CC 1626a_100000212291_100020758463 [0,0,1,0,0,0|1,0,2]=4 1883 B16R0.1182 CCCCCCCCCNC(=O)C=C(C)CC 240690a_100000212291_100020758463 [0,0,1,0,0,0|1,0,2]=4 1884 B16R0.1182 CCCCCCCCCNC(=O)CC(C)CC 11a_100000212291_100000708755 [0,0,1,0,0,0|1,0,0]=2 1885 B16R0.1182 CCCCCCCCCNC(=O)CC(C)CC 1626a_100000212291_100000708755 [0,0,1,0,0,0|1,0,0]=2 1886 B16R0.1182 CCCCCCCCCNC(=O)CC(C)CC 240690a_100000212291_100000708755 [0,0,1,0,0,0|1,0,0]=2 1887 B16R0.1182 CCCCCCCCCNC(=O)CC(C)CC 527a_100000212291_100000708755 [0,0,1,0,0,0|1,0,0]=2 1888 B16R0.1182 CCCCCCCCCNC(=O)CC(O)CC 1626a_100000212291_100011667805 [0,0,1,0,0,0|2,0,0]=3 1889 B16R0.1182 CCCCCCCCCNC(=O)CC(O)CC 240690a_100000212291_100011667805 [0,0,1,0,0,0|2,0,0]=3 1890 B16R0.1182 CCCCCCCCCNC(=O)CN(C)CC 240690a_100000212291_100116209913 [0,0,1,0,0,0|2,0,0]=3 1891 B16R0.1182 CCCCCCCCCNC(=O)CN(C)CC 527a_100000212291_100116209913 [0,0,1,0,0,0|2,0,0]=3 1892 B16R0.1182 CCCCCCCCCNC(=O)NC(C)CC 2708a_100000209981_100000212291 [0,0,1,0,0,0|2,0,0]=3 1893 B16R0.1182 CCCCCCCCCNC(=O)NC(C)CC 2708a_100000212291_100000209981 [0,0,1,0,0,0|2,0,0]=3 1894 B16R0.1182 CCCCCCCCCNC(=O)NC(C)CC 273464a_100000209981_100000212291 [0,0,1,0,0,0|2,0,0]=3 1895 B16R0.1182 CCCCCCCCCNC(=O)NC(C)CC 273464a_100000212291_100000209981 [0,0,1,0,0,0|2,0,0]=3 1896 B16R0.1182 CCCCCCCCCNC(=O)NC(C)CC 512a_100000209981_100000212291 [0,0,1,0,0,0|2,0,0]=3 1897 B16R0.1182 CCCCCCCCCNC(=O)NC(C)CC 512a_100000212291_100000209981 [0,0,1,0,0,0|2,0,0]=3 1898 B16R0.1182 CCCCCCCCCNC(=O)N[C@H](C)CF 2708a_100000212291_100102880703 [0,0,1,0,0,0|3,0,0]=4 1899 B16R0.1182 CCCCCCCCCNC(=O)N[C@H](C)CF 273464a_100000212291_100102880703 [0,0,1,0,0,0|3,0,0]=4 1900 B16R0.1182 CCCCCCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000212291 [0,0,1,0,0,0|3,0,0]=4 1901 B16R0.1182 CCCCCCCCCNC(=O)N[C@H](C)CF 512a_100000212291_100102880703 [0,0,1,0,0,0|3,0,0]=4 1902 B16R0.1182 CCCCCCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000212291 [0,0,1,0,0,0|3,0,0]=4 1903 B16R0.1182 CCCCCCCCCNC(=O)N[C@H](C)CO 2708a_100000212291_100000737577 [0,0,1,0,0,0|3,0,0]=4 1904 B16R0.1182 CCCCCCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000212291 [0,0,1,0,0,0|3,0,0]=4 1905 B16R0.1182 CCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000212291_100000737577 [0,0,1,0,0,0|3,0,0]=4 1906 B16R0.1182 CCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000212291 [0,0,1,0,0,0|3,0,0]=4 1907 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 2230a_100000212291_100009817358 [0,0,1,0,0,0|2,0,0]=3 1908 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 34a_100000212291_100009817358 [0,0,1,0,0,0|2,0,0]=3 1909 B16R0.1182 CCCCCCCCCNC(C)CC(C)CC 2230a_100000763565_100011214924 [0,0,1,0,0,0|2,0,1]=4 1910 B16R0.1182 CCCCCCCCCNC(C)CC(C)CC 270004a_100000212291_100011710205 [0,0,1,0,0,0|2,0,1]=4 1911 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 34a_100000210712_100009817358 [0,0,1,0,0,0|2,0,0]=3 1912 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 7a_100000210712_100009817358 [0,0,1,0,0,0|2,0,0]=3 1913 B16R0.1182 CCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210670 [0,0,1,0,0,0|2,0,0]=3 1914 B16R0.1182 CCCCCCCCNCC(=O)NC(C)CC 2230a_100000229939_100000182745 [0,0,1,0,0,0|2,0,0]=3 1915 B16R0.1182 CCCCCCCCNCC(=O)NC(C)CC 34a_100000229939_100000182745 [0,0,1,0,0,0|2,0,0]=3 1916 B16R0.1182 CCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000229939_100000754131 [0,0,1,0,0,0|3,0,0]=4 1917 B16R0.1182 CCCCCCCCOCC(=O)CC(=O)CC 1458a_100000759886_100000747405 [0,0,1,0,0,0|2,0,1]=4 1918 B16R0.1182 CCCCCCCCOCC(=O)CC(C)CC 1458a_100000759886_100000748023 [0,0,1,0,0,0|1,0,0]=2 1919 B16R0.1182 CCCCCCCCOCC(=O)CC(O)CC 1458a_100000759886_100011218378 [0,0,1,0,0,0|2,0,0]=3 1920 B16R0.1182 CCCCCCCCOCC(=O)C[C@@H](C)CC 1458a_100000759886_100009816398 [0,0,1,0,0,0|1,0,0]=2 1921 B16R0.1182 CCCCCCCCOCC(=O)C[C@@H](C)CO 1458a_100000759886_100000059175 [0,0,1,0,0,0|2,0,0]=3 1922 B16R0.1182 CCCCCCCCOCC(=O)NC(C)CC 11a_100000209981_100000759886 [0,0,1,0,0,0|2,0,0]=3 1923 B16R0.1182 CCCCCCCCOCC(=O)NC(C)CC 1626a_100000209981_100000759886 [0,0,1,0,0,0|2,0,0]=3 1924 B16R0.1182 CCCCCCCCOCC(=O)NC(C)CC 240690a_100000209981_100000759886 [0,0,1,0,0,0|2,0,0]=3 1925 B16R0.1182 CCCCCCCCOCC(=O)NC(C)CC 34a_100000210232_100000182745 [0,0,1,0,0,0|2,0,0]=3 1926 B16R0.1182 CCCCCCCCOCC(=O)NC(C)CC 527a_100000209981_100000759886 [0,0,1,0,0,0|2,0,0]=3 1927 B16R0.1182 CCCCCCCCOCC(=O)NC(C)CC 7a_100000210232_100000182745 [0,0,1,0,0,0|2,0,0]=3 1928 B16R0.1182 CCCCCCCCOCC(=O)N[C@H](C)CF 11a_100102880703_100000759886 [0,0,1,0,0,0|3,0,0]=4 1929 B16R0.1182 CCCCCCCCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000759886 [0,0,1,0,0,0|3,0,0]=4 1930 B16R0.1182 CCCCCCCCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000759886 [0,0,1,0,0,0|3,0,0]=4 1931 B16R0.1182 CCCCCCCCOCC(=O)N[C@H](C)CF 527a_100102880703_100000759886 [0,0,1,0,0,0|3,0,0]=4 1932 B16R0.1182 CCCCCCCCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000759886 [0,0,1,0,0,0|3,0,0]=4 1933 B16R0.1182 CCCCCCCCOCC(=O)N[C@H](C)CO 527a_100000737577_100000759886 [0,0,1,0,0,0|3,0,0]=4 1934 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210232_100000754131 [0,0,1,0,0,0|3,0,0]=4 1935 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210232_100000754131 [0,0,1,0,0,0|3,0,0]=4 1936 B16R0.1182 CCCCCCCCSCC(=O)NC(C)CC 62a_100000182745_100000210317 [0,0,1,0,0,0|2,0,0]=3 1937 B16R0.1182 CCCCCCCCSCC(=O)NC(C)CC 62a_100000210759_100000182745 [0,0,1,0,0,0|2,0,0]=3 1938 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210759_100000754131 [0,0,1,0,0,0|3,0,0]=4 1939 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210317 [0,0,1,0,0,0|3,0,0]=4 1940 B16R0.1182 CCCCCCOCCOC(C)CC(=O)OC 34a_100000691444_100009817358 [0,0,1,0,0,0|3,0,0]=4 1941 B16R0.1182 CCCCCCOCCOC(C)CC(=O)OC 7a_100000691444_100009817358 [0,0,1,0,0,0|3,0,0]=4 1942 B16R0.1182 CCCCCNCCOCC(=O)NC(C)CC 34a_100000224656_100000182745 [0,0,1,0,0,0|3,0,0]=4 1943 B16R0.1182 CCCCCOCCOCC(=O)NC(C)CC 34a_100011215259_100000182745 [0,0,1,0,0,0|3,0,0]=4 1944 B16R0.1182 CCCCCOCCOCC(=O)NC(C)CC 7a_100011215259_100000182745 [0,0,1,0,0,0|3,0,0]=4 1945 B16R0.1182 CCCCNCCCCOC(C)CC(=O)OC 34a_200011216965_100009817358 [0,0,1,0,0,0|3,0,0]=4 1946 B16R0.1182 CCCCOCCCCOC(C)CC(=O)OC 34a_200000760531_100009817358 [0,0,1,0,0,0|3,0,0]=4 1947 B16R0.1182 CCCCOCCCCOC(C)CC(=O)OC 7a_200000760531_100009817358 [0,0,1,0,0,0|3,0,0]=4 1948 B16R0.1182 CCCCOCCCNCC(=O)NC(C)CC 2230a_200000211371_100000182745 [0,0,1,0,0,0|3,0,0]=4 1949 B16R0.1182 CCCCOCCCNCC(=O)NC(C)CC 34a_200000211371_100000182745 [0,0,1,0,0,0|3,0,0]=4 1950 B16R0.1182 CCCCOCCCOCC(=O)NC(C)CC 34a_200011215613_100000182745 [0,0,1,0,0,0|3,0,0]=4 1951 B16R0.1182 CCCCOCCCOCC(=O)NC(C)CC 7a_200011215613_100000182745 [0,0,1,0,0,0|3,0,0]=4 1952 B16R0.1182 CCCOCCOCCNC(=O)CC(C)CC 11a_200011904461_100000708755 [0,0,1,0,0,0|3,0,0]=4 1953 B16R0.1182 CCCOCCOCCNC(=O)CC(C)CC 1626a_200011904461_100000708755 [0,0,1,0,0,0|3,0,0]=4 1954 B16R0.1182 CCCOCCOCCNC(=O)CC(C)CC 240690a_200011904461_100000708755 [0,0,1,0,0,0|3,0,0]=4 1955 B16R0.1182 CCN(C)CC(=O)CCCCCCCCCO 1458a_100116209913_100009813782 [0,0,1,0,0,0|2,0,0]=3 1956 B16R0.1182 CCN(C)CC(=O)NCCCCCCCCO 240690a_102515433106_100116209913 [0,0,1,0,0,0|3,0,0]=4 1957 B16R0.1182 CC[C@H](C)CC(=O)CCCCCCCCCF 1458a_200009909015_100009816398 [0,0,1,0,0,0|1,0,0]=2 1958 B16R0.1182 CC[C@H](C)CC(=O)CCOCCOCCOC 1458a_100012278103_100009816398 [0,0,1,0,0,0|3,0,0]=4 1959 B16R0.1182 CNC(=O)CN(C)CCCCCCCCCO 2230a_100000189611_100009813782 [0,0,1,0,0,0|3,0,0]=4 1960 B16R0.1182 COC(=O)CC(C)NCCCCCCCCO 2230a_102515433106_100009817358 [0,0,1,0,0,0|3,0,0]=4 1961 B16R0.1182 COC(=O)CC(C)NCCCCCCCCO 34a_102515433106_100009817358 [0,0,1,0,0,0|3,0,0]=4 1962 B16R0.1182 COC(=O)CC(C)OCCCCCCCCBr 34a_100009813846_100009817358 [0,0,1,0,0,0|3,0,0]=4 1963 B16R0.1182 COC(=O)CC(C)OCCCCCCCCBr 7a_100009813846_100009817358 [0,0,1,0,0,0|3,0,0]=4 1964 B16R0.1182 COC(=O)CC(C)OCCCCCCCCCl 34a_100000033203_100009817358 [0,0,1,0,0,0|3,0,0]=4 1965 B16R0.1182 COC(=O)CC(C)OCCCCCCCCCl 7a_100000033203_100009817358 [0,0,1,0,0,0|3,0,0]=4 1966 B16R0.1182 COC(=O)CC(C)OCCCCCCCCN 34a_102515433106_100009817358 [0,0,1,0,0,0|3,0,0]=4 1967 B16R0.1182 COC(=O)CC(C)SCCCCCCCCO 62a_100000033203_100009817358 [0,0,1,0,0,0|3,0,0]=4 1968 B16R0.1182 COC(=O)CC(C)SCCCCCCCCO 62a_100009817358_100000033203 [0,0,1,0,0,0|3,0,0]=4 1969 B16R0.1182 COC(=O)CN(C)CCCCCCCCCO 2230a_100000198492_100009813782 [0,0,1,0,0,0|3,0,0]=4 1970 B16R0.1182 C[C@@H](CO)CC(=O)CCCCCCCCCF 1458a_200009909015_100000059175 [0,0,1,0,0,0|2,0,0]=3 1971 B16R0.1182 C[C@H](CF)NC(=O)CCCCCCCCCF 11a_100102880703_200009909015 [0,0,1,0,0,0|3,0,0]=4 1972 B16R0.1182 C[C@H](CF)NC(=O)CCCCCCCCCF 240690a_100102880703_200009909015 [0,0,1,0,0,0|3,0,0]=4 1973 B16R0.1182 C[C@H](CF)NC(=O)CCCCCCCCCF 527a_100102880703_200009909015 [0,0,1,0,0,0|3,0,0]=4 1974 B16R0.1182 C[C@H](CF)NC(=O)CCCCCCCCCO 240690a_100102880703_100000032657 [0,0,1,0,0,0|3,0,0]=4 1975 B16R0.1182 C[C@H](CO)NC(=O)CCCCCCCCCF 240690a_100000737577_200009909015 [0,0,1,0,0,0|3,0,0]=4 1976 B16R0.1182 C[C@H](CO)NC(=O)CCCCCCCCCF 527a_100000737577_200009909015 [0,0,1,0,0,0|3,0,0]=4 1977 B16R0.1182 C[C@H](CO)NC(=O)CCCCCCCCCO 240690a_100000737577_100000032657 [0,0,1,0,0,0|3,0,0]=4 1978 B16R0.3207 C#CCCCCCCC(=O)NC(C)CCCC 11a_100000126638_100000034748 [0,0,1,0,0,0|1,0,2]=4 1979 B16R0.3207 C#CCCCCCCC(=O)NC(C)CCCC 1626a_100000126638_100000034748 [0,0,1,0,0,0|1,0,2]=4 1980 B16R0.3207 C#CCCCCCCC(=O)NC(C)CCCC 240690a_100000126638_100000034748 [0,0,1,0,0,0|1,0,2]=4 1981 B16R0.3207 C#CCCCCCCC(=O)NC(C)CCCC 527a_100000126638_100000034748 [0,0,1,0,0,0|1,0,2]=4 1982 B16R0.3207 C=CCCCCCCC(=O)NC(C)CCCC 11a_100000126638_100011809334 [0,0,1,0,0,0|1,0,2]=4 1983 B16R0.3207 C=CCCCCCCC(=O)NC(C)CCCC 1626a_100000126638_100011809334 [0,0,1,0,0,0|1,0,2]=4 1984 B16R0.3207 C=CCCCCCCC(=O)NC(C)CCCC 240690a_100000126638_100011809334 [0,0,1,0,0,0|1,0,2]=4 1985 B16R0.3207 C=CCCCCCCC(=O)NC(C)CCCC 527a_100000126638_100011809334 [0,0,1,0,0,0|1,0,2]=4 1986 B16R0.3207 CCCCC(C)NC(=O)CCCCCCCO 240690a_100000126638_100011219782 [0,0,1,0,0,0|2,0,0]=3 1987 B16R0.3207 CCCCC(C)NC(=O)NCCCCCCO 2708a_100000126638_100000686447 [0,0,1,0,0,0|3,0,0]=4 1988 B16R0.3207 CCCCC(C)NC(=O)NCCCCCCO 273464a_100000126638_100000686447 [0,0,1,0,0,0|3,0,0]=4 1989 B16R0.3207 CCCCC(C)NC(=O)NCCCCCCO 273464a_100000686447_100000126638 [0,0,1,0,0,0|3,0,0]=4 1990 B16R0.3207 CCCCC(C)NC(=O)NCCCCCCO 512a_100000126638_100000686447 [0,0,1,0,0,0|3,0,0]=4 1991 B16R0.3207 CCCCC(C)NC(=O)NCCCCCCO 512a_100000686447_100000126638 [0,0,1,0,0,0|3,0,0]=4 1992 B16R0.3207 CCCCC(C)NC(=O)NCCCCCOC 2708a_100000126638_100000747528 [0,0,1,0,0,0|3,0,0]=4 1993 B16R0.3207 CCCCC(C)NC(=O)NCCCCCOC 2708a_100000747528_100000126638 [0,0,1,0,0,0|3,0,0]=4 1994 B16R0.3207 CCCCC(C)NC(=O)NCCCCCOC 273464a_100000126638_100000747528 [0,0,1,0,0,0|3,0,0]=4 1995 B16R0.3207 CCCCC(C)NC(=O)NCCCCCOC 273464a_100000747528_100000126638 [0,0,1,0,0,0|3,0,0]=4 1996 B16R0.3207 CCCCC(C)NC(=O)NCCCCCOC 512a_100000126638_100000747528 [0,0,1,0,0,0|3,0,0]=4 1997 B16R0.3207 CCCCC(C)NC(=O)NCCCCCOC 512a_100000747528_100000126638 [0,0,1,0,0,0|3,0,0]=4 1998 B16R0.3207 CCCCC(C)NC(=O)NCCCOCCC 2708a_100000126638_100011217757 [0,0,1,0,0,0|3,0,0]=4 1999 B16R0.3207 CCCCC(C)NC(=O)NCCCOCCC 2708a_100011217757_100000126638 [0,0,1,0,0,0|3,0,0]=4 2000 B16R0.3207 CCCCC(C)NC(=O)NCCCOCCC 273464a_100000126638_100011217757 [0,0,1,0,0,0|3,0,0]=4 2001 B16R0.3207 CCCCC(C)NC(=O)NCCCOCCC 273464a_100011217757_100000126638 [0,0,1,0,0,0|3,0,0]=4 2002 B16R0.3207 CCCCC(C)NC(=O)NCCCOCCC 512a_100000126638_100011217757 [0,0,1,0,0,0|3,0,0]=4 2003 B16R0.3207 CCCCC(C)NC(=O)NCCCOCCC 512a_100011217757_100000126638 [0,0,1,0,0,0|3,0,0]=4 2004 B16R0.3207 CCCCC/C=C/CC(=O)NC(C)CCCC 11a_100000126638_100020675968 [0,0,1,0,0,0|1,0,2]=4 2005 B16R0.3207 CCCCC/C=C/CC(=O)NC(C)CCCC 1626a_100000126638_100020675968 [0,0,1,0,0,0|1,0,2]=4 2006 B16R0.3207 CCCCC/C=C/CC(=O)NC(C)CCCC 240690a_100000126638_100020675968 [0,0,1,0,0,0|1,0,2]=4 2007 B16R0.3207 CCCCCCC=CC(=O)NC(C)CCCC 11a_100000126638_200015324643 [0,0,1,0,0,0|1,0,2]=4 2008 B16R0.3207 CCCCCCC=CC(=O)NC(C)CCCC 1626a_100000126638_200015324643 [0,0,1,0,0,0|1,0,2]=4 2009 B16R0.3207 CCCCCCC=CC(=O)NC(C)CCCC 240690a_100000126638_200015324643 [0,0,1,0,0,0|1,0,2]=4 2010 B16R0.3207 CCCCCCCCC(=O)CC(=O)NCCC 1458a_100000210188_100000183358 [0,0,1,0,0,0|2,0,1]=4 2011 B16R0.3207 CCCCCCCCC(=O)CC(=O)OCCC 1458a_100000210188_200011215008 [0,0,1,0,0,0|2,0,1]=4 2012 B16R0.3207 CCCCCCCCC(=O)NC(C)CCCC 11a_100000126638_100000210188 [0,0,1,0,0,0|1,0,0]=2 2013 B16R0.3207 CCCCCCCCC(=O)NC(C)CCCC 1626a_100000126638_100000210188 [0,0,1,0,0,0|1,0,0]=2 2014 B16R0.3207 CCCCCCCCC(=O)NC(C)CCCC 240690a_100000126638_100000210188 [0,0,1,0,0,0|1,0,0]=2 2015 B16R0.3207 CCCCCCCCC(=O)NC(C)CCCC 527a_100000126638_100000210188 [0,0,1,0,0,0|1,0,0]=2 2016 B16R0.3207 CCCCCCCCC(C)CN(C)CCCC 270004a_100000207549_100011995885 [0,0,1,0,0,0|2,0,0]=3 2017 B16R0.3207 CCCCCCCCC(C)CN(C)CCCO 270004a_100000213112_100011995885 [0,0,1,0,0,0|3,0,0]=4 2018 B16R0.3207 CCCCCCCCC(C)CN(C)CCOC 270004a_100000743101_100011995885 [0,0,1,0,0,0|3,0,0]=4 2019 B16R0.3207 CCCCCCCCC(C)CN(C)CCSC 270004a_100000686725_100011995885 [0,0,1,0,0,0|3,0,0]=4 2020 B16R0.3207 CCCCCCCCC(C)NC(C)CCCC 270004a_100000126638_100011216694 [0,0,1,0,0,0|2,0,1]=4 2021 B16R0.3207 CCCCCCCCC(C)OC(C)CCCC 34a_100000210740_200011215066 [0,0,1,0,0,0|2,0,1]=4 2022 B16R0.3207 CCCCCCCCC(C)OC(C)CCCC 7a_100000210740_200011215066 [0,0,1,0,0,0|2,0,1]=4 2023 B16R0.3207 CCCCCCCCN(C)CC(=O)NCCC 2230a_100000207567_100000183358 [0,0,1,0,0,0|2,0,0]=3 2024 B16R0.3207 CCCCCCCCN(C)CC(=O)NCCC 2230a_100000684209_100000210759 [0,0,1,0,0,0|2,0,0]=3 2025 B16R0.3207 CCCCCCCCN(C)CC(=O)NCCC 269982a_100000207567_100000183358 [0,0,1,0,0,0|2,0,0]=3 2026 B16R0.3207 CCCCCCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210759 [0,0,1,0,0,0|2,0,0]=3 2027 B16R0.3207 CCCCCCCCN(C)CC(=O)OCCC 2230a_100000207567_200011215008 [0,0,1,0,0,0|2,0,0]=3 2028 B16R0.3207 CCCCCCCCN(C)CC(=O)OCCC 269982a_100000207567_200011215008 [0,0,1,0,0,0|2,0,0]=3 2029 B16R0.3207 CCCCCCCNC(=O)CN(C)CCOC 240690a_100000229938_100015184299 [0,0,1,0,0,0|3,0,0]=4 2030 B16R0.3207 CCCCCCCNC(=O)CN(C)CCOC 527a_100000229938_100015184299 [0,0,1,0,0,0|3,0,0]=4 2031 B16R0.3207 CCCCCCCNC(=O)NC(C)CCCC 2708a_100000126638_100000229938 [0,0,1,0,0,0|2,0,0]=3 2032 B16R0.3207 CCCCCCCNC(=O)NC(C)CCCC 2708a_100000229938_100000126638 [0,0,1,0,0,0|2,0,0]=3 2033 B16R0.3207 CCCCCCCNC(=O)NC(C)CCCC 273464a_100000126638_100000229938 [0,0,1,0,0,0|2,0,0]=3 2034 B16R0.3207 CCCCCCCNC(=O)NC(C)CCCC 273464a_100000229938_100000126638 [0,0,1,0,0,0|2,0,0]=3 2035 B16R0.3207 CCCCCCCNC(=O)NC(C)CCCC 512a_100000126638_100000229938 [0,0,1,0,0,0|2,0,0]=3 2036 B16R0.3207 CCCCCCCNC(=O)NC(C)CCCC 512a_100000229938_100000126638 [0,0,1,0,0,0|2,0,0]=3 2037 B16R0.3207 CCCCSCCNC(=O)NC(C)CCCC 2708a_100000126638_100025743550 [0,0,1,0,0,0|3,0,0]=4 2038 B16R0.3207 CCCCSCCNC(=O)NC(C)CCCC 2708a_100025743550_100000126638 [0,0,1,0,0,0|3,0,0]=4 2039 B16R0.3207 CCCCSCCNC(=O)NC(C)CCCC 273464a_100000126638_100025743550 [0,0,1,0,0,0|3,0,0]=4 2040 B16R0.3207 CCCCSCCNC(=O)NC(C)CCCC 273464a_100025743550_100000126638 [0,0,1,0,0,0|3,0,0]=4 2041 B16R0.3207 CCCCSCCNC(=O)NC(C)CCCC 512a_100000126638_100025743550 [0,0,1,0,0,0|3,0,0]=4 2042 B16R0.3207 CCCCSCCNC(=O)NC(C)CCCC 512a_100025743550_100000126638 [0,0,1,0,0,0|3,0,0]=4 2043 B16R0.3207 CCCNC(=O)CN(C)CCCCCCCO 2230a_100000684209_100000760002 [0,0,1,0,0,0|3,0,0]=4 2044 B16R0.3207 CCCNC(=O)CN(C)CCCCCCCO 269982a_100000684209_100000760002 [0,0,1,0,0,0|3,0,0]=4 2045 B16R0.3207 CCCNC(=O)CN(C)CCCCCCOC 2230a_100000684209_100011998445 [0,0,1,0,0,0|3,0,0]=4 2046 B16R0.3207 CCCNC(=O)CN(C)CCCCCCOC 269982a_100000684209_100011998445 [0,0,1,0,0,0|3,0,0]=4 2047 B16R0.5998 C#CCCCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000731252 [0,0,1,0,0,0|1,0,2]=4 2048 B16R0.5998 C#CCCCCCC(=O)NC(C)CCCCC 11a_100000211957_100000694772 [0,0,1,0,0,0|1,0,2]=4 2049 B16R0.5998 C#CCCCCCC(=O)NC(C)CCCCC 1626a_100000211957_100000694772 [0,0,1,0,0,0|1,0,2]=4 2050 B16R0.5998 C#CCCCCCC(=O)NC(C)CCCCC 240690a_100000211957_100000694772 [0,0,1,0,0,0|1,0,2]=4 2051 B16R0.5998 C#CCCCCCC(=O)NC(C)CCCCC 527a_100000211957_100000694772 [0,0,1,0,0,0|1,0,2]=4 2052 B16R0.5998 C=CCCCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000757094 [0,0,1,0,0,0|1,0,2]=4 2053 B16R0.5998 C=CCCCCCC(=O)NC(C)CCCCC 11a_100000211957_100011934241 [0,0,1,0,0,0|1,0,2]=4 2054 B16R0.5998 C=CCCCCCC(=O)NC(C)CCCCC 1626a_100000211957_100011934241 [0,0,1,0,0,0|1,0,2]=4 2055 B16R0.5998 C=CCCCCCC(=O)NC(C)CCCCC 240690a_100000211957_100011934241 [0,0,1,0,0,0|1,0,2]=4 2056 B16R0.5998 C=CCCCCCC(=O)NC(C)CCCCC 527a_100000211957_100011934241 [0,0,1,0,0,0|1,0,2]=4 2057 B16R0.5998 CC/C=C\CC(=O)CC(O)CCCCCCC 1458a_200011667753_100103147603 [0,0,1,0,0,0|1,0,2]=4 2058 B16R0.5998 CCC#CCC(=O)CC(O)CCCCCCC 1458a_200011667753_100009813939 [0,0,1,0,0,0|1,0,2]=4 2059 B16R0.5998 CCCC/C=C/CC(=O)NC(C)CCCCC 11a_100000211957_200016282684 [0,0,1,0,0,0|1,0,2]=4 2060 B16R0.5998 CCCC/C=C/CC(=O)NC(C)CCCCC 1626a_100000211957_200016282684 [0,0,1,0,0,0|1,0,2]=4 2061 B16R0.5998 CCCC/C=C/CC(=O)NC(C)CCCCC 240690a_100000211957_200016282684 [0,0,1,0,0,0|1,0,2]=4 2062 B16R0.5998 CCCC/C=C/CC(=O)NC(C)CCCCC 527a_100000211957_200016282684 [0,0,1,0,0,0|1,0,2]=4 2063 B16R0.5998 CCCCCC#CC(=O)NC(C)CCCCC 240690a_100000211957_100011215388 [0,0,1,0,0,0|1,0,2]=4 2064 B16R0.5998 CCCCCC(=O)CC(=O)CCCCCCO 1458a_100011996774_200012276598 [0,0,1,0,0,0|2,0,1]=4 2065 B16R0.5998 CCCCCC(=O)CC(=O)CCCCCOC 1458a_100011935119_200012276598 [0,0,1,0,0,0|2,0,1]=4 2066 B16R0.5998 CCCCCC(C)NC(=O)CCCCCCO 240690a_100000211957_100011996774 [0,0,1,0,0,0|2,0,0]=3 2067 B16R0.5998 CCCCCC(C)NC(=O)CCCCCOC 11a_100000211957_100011935119 [0,0,1,0,0,0|2,0,0]=3 2068 B16R0.5998 CCCCCC(C)NC(=O)CCCCCOC 1626a_100000211957_100011935119 [0,0,1,0,0,0|2,0,0]=3 2069 B16R0.5998 CCCCCC(C)NC(=O)CCCCCOC 240690a_100000211957_100011935119 [0,0,1,0,0,0|2,0,0]=3 2070 B16R0.5998 CCCCCC(C)NC(=O)CCCCCOC 527a_100000211957_100011935119 [0,0,1,0,0,0|2,0,0]=3 2071 B16R0.5998 CCCCCC(C)NC(=O)CCOCCOC 11a_100000211957_100000745395 [0,0,1,0,0,0|3,0,0]=4 2072 B16R0.5998 CCCCCC(C)NC(=O)CCOCCOC 1626a_100000211957_100000745395 [0,0,1,0,0,0|3,0,0]=4 2073 B16R0.5998 CCCCCC(C)NC(=O)CCOCCOC 240690a_100000211957_100000745395 [0,0,1,0,0,0|3,0,0]=4 2074 B16R0.5998 CCCCCC(C)NC(=O)CCOCCOC 527a_100000211957_100000745395 [0,0,1,0,0,0|3,0,0]=4 2075 B16R0.5998 CCCCCC(C)NC(=O)CNCCCCO 2230a_100000750430_100000230335 [0,0,1,0,0,0|3,0,0]=4 2076 B16R0.5998 CCCCCC(C)NC(=O)CNCCCCO 34a_100000750430_100000230335 [0,0,1,0,0,0|3,0,0]=4 2077 B16R0.5998 CCCCCC(C)NC(=O)CNCCCOC 34a_100150723488_100000230335 [0,0,1,0,0,0|3,0,0]=4 2078 B16R0.5998 CCCCCC(C)NC(=O)CNCCCSC 2230a_100000749238_100000230335 [0,0,1,0,0,0|3,0,0]=4 2079 B16R0.5998 CCCCCC(C)NC(=O)CNCCOCC 2230a_102516460346_100000230335 [0,0,1,0,0,0|3,0,0]=4 2080 B16R0.5998 CCCCCC(C)NC(=O)CNCCOCC 34a_102516460346_100000230335 [0,0,1,0,0,0|3,0,0]=4 2081 B16R0.5998 CCCCCC(C)NC(=O)CNCCSCC 2230a_100000106463_100000230335 [0,0,1,0,0,0|3,0,0]=4 2082 B16R0.5998 CCCCCC(C)NC(=O)COCCCCBr 34a_100011216708_100000230335 [0,0,1,0,0,0|3,0,0]=4 2083 B16R0.5998 CCCCCC(C)NC(=O)COCCCCCl 34a_100000210776_100000230335 [0,0,1,0,0,0|3,0,0]=4 2084 B16R0.5998 CCCCCC(C)NC(=O)COCCCCCl 7a_100000210776_100000230335 [0,0,1,0,0,0|3,0,0]=4 2085 B16R0.5998 CCCCCC(C)NC(=O)COCCCCF 34a_100011995726_100000230335 [0,0,1,0,0,0|3,0,0]=4 2086 B16R0.5998 CCCCCC(C)NC(=O)COCCCCF 7a_100011995726_100000230335 [0,0,1,0,0,0|3,0,0]=4 2087 B16R0.5998 CCCCCC(C)NC(=O)COCCCCI 34a_200012148704_100000230335 [0,0,1,0,0,0|3,0,0]=4 2088 B16R0.5998 CCCCCC(C)NC(=O)COCCCCN 34a_100000750430_100000230335 [0,0,1,0,0,0|3,0,0]=4 2089 B16R0.5998 CCCCCC(C)NC(=O)COCCCNC 34a_100000213112_100000230335 [0,0,1,0,0,0|3,0,0]=4 2090 B16R0.5998 CCCCCC(C)NC(=O)COCCCOC 34a_100000740835_100000230335 [0,0,1,0,0,0|3,0,0]=4 2091 B16R0.5998 CCCCCC(C)NC(=O)COCCCSC 34a_100000690336_100000230335 [0,0,1,0,0,0|3,0,0]=4 2092 B16R0.5998 CCCCCC(C)NC(=O)COCCCSC 7a_100000690336_100000230335 [0,0,1,0,0,0|3,0,0]=4 2093 B16R0.5998 CCCCCC(C)NC(=O)COCCOCC 34a_100000210136_100000230335 [0,0,1,0,0,0|3,0,0]=4 2094 B16R0.5998 CCCCCC(C)NC(=O)COCCOCC 7a_100000210136_100000230335 [0,0,1,0,0,0|3,0,0]=4 2095 B16R0.5998 CCCCCC(C)NC(=O)COCCSCC 34a_100000212035_100000230335 [0,0,1,0,0,0|3,0,0]=4 2096 B16R0.5998 CCCCCC(C)NC(=O)COCCSCC 7a_100000212035_100000230335 [0,0,1,0,0,0|3,0,0]=4 2097 B16R0.5998 CCCCCC(C)NC(=O)CSCCCCF 62a_100000230335_100000729493 [0,0,1,0,0,0|3,0,0]=4 2098 B16R0.5998 CCCCCC(C)NC(=O)CSCCCCF 62a_100000729493_100000230335 [0,0,1,0,0,0|3,0,0]=4 2099 B16R0.5998 CCCCCC(C)NC(=O)CSCCCCO 62a_100000210776_100000230335 [0,0,1,0,0,0|3,0,0]=4 2100 B16R0.5998 CCCCCC(C)NC(=O)CSCCCCO 62a_100000230335_100000210776 [0,0,1,0,0,0|3,0,0]=4 2101 B16R0.5998 CCCCCC(C)NC(=O)CSCCCOC 62a_100000230335_100000709357 [0,0,1,0,0,0|3,0,0]=4 2102 B16R0.5998 CCCCCC(C)NC(=O)CSCCCOC 62a_100000709357_100000230335 [0,0,1,0,0,0|3,0,0]=4 2103 B16R0.5998 CCCCCC(C)NC(=O)CSCCOCC 62a_100000210147_100000230335 [0,0,1,0,0,0|3,0,0]=4 2104 B16R0.5998 CCCCCC(C)NC(=O)CSCCOCC 62a_100000230335_100011215890 [0,0,1,0,0,0|3,0,0]=4 2105 B16R0.5998 CCCCCC(C)NC(=O)CSCCSCC 62a_100000230335_100000757381 [0,0,1,0,0,0|3,0,0]=4 2106 B16R0.5998 CCCCCC(C)NC(=O)CSCCSCC 62a_100000757381_100000230335 [0,0,1,0,0,0|3,0,0]=4 2107 B16R0.5998 CCCCCC(C)NC(=O)NCCCCCO 2708a_100000211957_100000762737 [0,0,1,0,0,0|3,0,0]=4 2108 B16R0.5998 CCCCCC(C)NC(=O)NCCCCCO 273464a_100000211957_100000762737 [0,0,1,0,0,0|3,0,0]=4 2109 B16R0.5998 CCCCCC(C)NC(=O)NCCCCCO 273464a_100000762737_100000211957 [0,0,1,0,0,0|3,0,0]=4 2110 B16R0.5998 CCCCCC(C)NC(=O)NCCCCCO 512a_100000211957_100000762737 [0,0,1,0,0,0|3,0,0]=4 2111 B16R0.5998 CCCCCC(C)NC(=O)NCCCCCO 512a_100000762737_100000211957 [0,0,1,0,0,0|3,0,0]=4 2112 B16R0.5998 CCCCCC(C)NC(=O)NCCCOCC 2708a_100000210961_100000211957 [0,0,1,0,0,0|3,0,0]=4 2113 B16R0.5998 CCCCCC(C)NC(=O)NCCCOCC 2708a_100000211957_100000210961 [0,0,1,0,0,0|3,0,0]=4 2114 B16R0.5998 CCCCCC(C)NC(=O)NCCCOCC 273464a_100000210961_100000211957 [0,0,1,0,0,0|3,0,0]=4 2115 B16R0.5998 CCCCCC(C)NC(=O)NCCCOCC 273464a_100000211957_100000210961 [0,0,1,0,0,0|3,0,0]=4 2116 B16R0.5998 CCCCCC(C)NC(=O)NCCCOCC 512a_100000210961_100000211957 [0,0,1,0,0,0|3,0,0]=4 2117 B16R0.5998 CCCCCC(C)NC(=O)NCCCOCC 512a_100000211957_100000210961 [0,0,1,0,0,0|3,0,0]=4 2118 B16R0.5998 CCCCCC(C)NC(=O)NCCOCCC 2708a_100000211957_100161115042 [0,0,1,0,0,0|3,0,0]=4 2119 B16R0.5998 CCCCCC(C)NC(=O)NCCOCCC 2708a_100161115042_100000211957 [0,0,1,0,0,0|3,0,0]=4 2120 B16R0.5998 CCCCCC(C)NC(=O)NCCOCCC 273464a_100000211957_100161115042 [0,0,1,0,0,0|3,0,0]=4 2121 B16R0.5998 CCCCCC(C)NC(=O)NCCOCCC 273464a_100161115042_100000211957 [0,0,1,0,0,0|3,0,0]=4 2122 B16R0.5998 CCCCCC(C)NC(=O)NCCOCCC 512a_100000211957_100161115042 [0,0,1,0,0,0|3,0,0]=4 2123 B16R0.5998 CCCCCC(C)NC(=O)NCCOCCC 512a_100161115042_100000211957 [0,0,1,0,0,0|3,0,0]=4 2124 B16R0.5998 CCCCCC(C)NC(=O)NCCSCCC 2708a_100000211957_100020603323 [0,0,1,0,0,0|3,0,0]=4 2125 B16R0.5998 CCCCCC(C)NC(=O)NCCSCCC 2708a_100020603323_100000211957 [0,0,1,0,0,0|3,0,0]=4 2126 B16R0.5998 CCCCCC(C)NC(=O)NCCSCCC 273464a_100000211957_100020603323 [0,0,1,0,0,0|3,0,0]=4 2127 B16R0.5998 CCCCCC(C)NC(=O)NCCSCCC 273464a_100020603323_100000211957 [0,0,1,0,0,0|3,0,0]=4 2128 B16R0.5998 CCCCCC(C)NC(=O)NCCSCCC 512a_100000211957_100020603323 [0,0,1,0,0,0|3,0,0]=4 2129 B16R0.5998 CCCCCC(C)NC(=O)NCCSCCC 512a_100020603323_100000211957 [0,0,1,0,0,0|3,0,0]=4 2130 B16R0.5998 CCCCCC(C)OC(=O)CNCCCCO 2230a_100000750430_200000092394 [0,0,1,0,0,0|3,0,0]=4 2131 B16R0.5998 CCCCCC(C)OC(=O)CNCCCCO 34a_100000750430_200000092394 [0,0,1,0,0,0|3,0,0]=4 2132 B16R0.5998 CCCCCC(C)OC(=O)CNCCCOC 34a_100150723488_200000092394 [0,0,1,0,0,0|3,0,0]=4 2133 B16R0.5998 CCCCCC(C)OC(=O)CNCCCSC 2230a_100000749238_200000092394 [0,0,1,0,0,0|3,0,0]=4 2134 B16R0.5998 CCCCCC(C)OC(=O)CNCCOCC 2230a_102516460346_200000092394 [0,0,1,0,0,0|3,0,0]=4 2135 B16R0.5998 CCCCCC(C)OC(=O)CNCCOCC 34a_102516460346_200000092394 [0,0,1,0,0,0|3,0,0]=4 2136 B16R0.5998 CCCCCC(C)OC(=O)CNCCSCC 2230a_100000106463_200000092394 [0,0,1,0,0,0|3,0,0]=4 2137 B16R0.5998 CCCCCC(C)OC(=O)COCCCCBr 34a_100011216708_200000092394 [0,0,1,0,0,0|3,0,0]=4 2138 B16R0.5998 CCCCCC(C)OC(=O)COCCCCCl 34a_100000210776_200000092394 [0,0,1,0,0,0|3,0,0]=4 2139 B16R0.5998 CCCCCC(C)OC(=O)COCCCCCl 7a_100000210776_200000092394 [0,0,1,0,0,0|3,0,0]=4 2140 B16R0.5998 CCCCCC(C)OC(=O)COCCCCF 34a_100011995726_200000092394 [0,0,1,0,0,0|3,0,0]=4 2141 B16R0.5998 CCCCCC(C)OC(=O)COCCCCF 7a_100011995726_200000092394 [0,0,1,0,0,0|3,0,0]=4 2142 B16R0.5998 CCCCCC(C)OC(=O)COCCCCI 34a_200012148704_200000092394 [0,0,1,0,0,0|3,0,0]=4 2143 B16R0.5998 CCCCCC(C)OC(=O)COCCCCN 34a_100000750430_200000092394 [0,0,1,0,0,0|3,0,0]=4 2144 B16R0.5998 CCCCCC(C)OC(=O)COCCCNC 34a_100000213112_200000092394 [0,0,1,0,0,0|3,0,0]=4 2145 B16R0.5998 CCCCCC(C)OC(=O)COCCCOC 34a_100000740835_200000092394 [0,0,1,0,0,0|3,0,0]=4 2146 B16R0.5998 CCCCCC(C)OC(=O)COCCCSC 34a_100000690336_200000092394 [0,0,1,0,0,0|3,0,0]=4 2147 B16R0.5998 CCCCCC(C)OC(=O)COCCCSC 7a_100000690336_200000092394 [0,0,1,0,0,0|3,0,0]=4 2148 B16R0.5998 CCCCCC(C)OC(=O)COCCOCC 34a_100000210136_200000092394 [0,0,1,0,0,0|3,0,0]=4 2149 B16R0.5998 CCCCCC(C)OC(=O)COCCOCC 7a_100000210136_200000092394 [0,0,1,0,0,0|3,0,0]=4 2150 B16R0.5998 CCCCCC(C)OC(=O)COCCSCC 34a_100000212035_200000092394 [0,0,1,0,0,0|3,0,0]=4 2151 B16R0.5998 CCCCCC(C)OC(=O)COCCSCC 7a_100000212035_200000092394 [0,0,1,0,0,0|3,0,0]=4 2152 B16R0.5998 CCCCCC(C)OC(=O)CSCCCCF 62a_100000729493_200000092394 [0,0,1,0,0,0|3,0,0]=4 2153 B16R0.5998 CCCCCC(C)OC(=O)CSCCCCF 62a_200000092394_100000729493 [0,0,1,0,0,0|3,0,0]=4 2154 B16R0.5998 CCCCCC(C)OC(=O)CSCCCCO 62a_100000210776_200000092394 [0,0,1,0,0,0|3,0,0]=4 2155 B16R0.5998 CCCCCC(C)OC(=O)CSCCCCO 62a_200000092394_100000210776 [0,0,1,0,0,0|3,0,0]=4 2156 B16R0.5998 CCCCCC(C)OC(=O)CSCCCOC 62a_100000709357_200000092394 [0,0,1,0,0,0|3,0,0]=4 2157 B16R0.5998 CCCCCC(C)OC(=O)CSCCCOC 62a_200000092394_100000709357 [0,0,1,0,0,0|3,0,0]=4 2158 B16R0.5998 CCCCCC(C)OC(=O)CSCCOCC 62a_100000210147_200000092394 [0,0,1,0,0,0|3,0,0]=4 2159 B16R0.5998 CCCCCC(C)OC(=O)CSCCOCC 62a_200000092394_100011215890 [0,0,1,0,0,0|3,0,0]=4 2160 B16R0.5998 CCCCCC(C)OC(=O)CSCCSCC 62a_100000757381_200000092394 [0,0,1,0,0,0|3,0,0]=4 2161 B16R0.5998 CCCCCC(C)OC(=O)CSCCSCC 62a_200000092394_100000757381 [0,0,1,0,0,0|3,0,0]=4 2162 B16R0.5998 CCCCCC=CC(=O)NC(C)CCCCC 11a_100000211957_100016263427 [0,0,1,0,0,0|1,0,2]=4 2163 B16R0.5998 CCCCCC=CC(=O)NC(C)CCCCC 1626a_100000211957_100016263427 [0,0,1,0,0,0|1,0,2]=4 2164 B16R0.5998 CCCCCC=CC(=O)NC(C)CCCCC 240690a_100000211957_100016263427 [0,0,1,0,0,0|1,0,2]=4 2165 B16R0.5998 CCCCCCCC(=O)CC(=O)CCCCC 1458a_100000211969_200012276598 [0,0,1,0,0,0|1,0,1]=3 2166 B16R0.5998 CCCCCCCC(=O)CC(=O)NCCCC 1458a_100000211969_100000182744 [0,0,1,0,0,0|2,0,1]=4 2167 B16R0.5998 CCCCCCCC(=O)CC(=O)OCCCC 1458a_100000211969_100000211628 [0,0,1,0,0,0|2,0,1]=4 2168 B16R0.5998 CCCCCCCC(=O)NC(C)CCCCC 11a_100000211957_100000211969 [0,0,1,0,0,0|1,0,0]=2 2169 B16R0.5998 CCCCCCCC(=O)NC(C)CCCCC 1626a_100000211957_100000211969 [0,0,1,0,0,0|1,0,0]=2 2170 B16R0.5998 CCCCCCCC(=O)NC(C)CCCCC 240690a_100000211957_100000211969 [0,0,1,0,0,0|1,0,0]=2 2171 B16R0.5998 CCCCCCCC(=O)NC(C)CCCCC 527a_100000211957_100000211969 [0,0,1,0,0,0|1,0,0]=2 2172 B16R0.5998 CCCCCCCC(C)NC(C)CCCCC 2230a_100000211957_200011218727 [0,0,1,0,0,0|2,0,1]=4 2173 B16R0.5998 CCCCCCCC(C)NC(C)CCCCC 270004a_100000211957_100000210596 [0,0,1,0,0,0|2,0,1]=4 2174 B16R0.5998 CCCCCCCC(C)OC(C)CCCCC 34a_100011215632_200011218727 [0,0,1,0,0,0|2,0,1]=4 2175 B16R0.5998 CCCCCCCC(C)OC(C)CCCCC 34a_200011215852_200011218191 [0,0,1,0,0,0|2,0,1]=4 2176 B16R0.5998 CCCCCCCC(C)OC(C)CCCCC 7a_100011215632_200011218727 [0,0,1,0,0,0|2,0,1]=4 2177 B16R0.5998 CCCCCCCC(C)OC(C)CCCCC 7a_200011215852_200011218191 [0,0,1,0,0,0|2,0,1]=4 2178 B16R0.5998 CCCCCCCC(O)CC(=O)CCCC#N 1458a_200011667753_100000211468 [0,0,1,0,0,0|2,0,1]=4 2179 B16R0.5998 CCCCCCCC(O)CC(=O)CCCCC 1458a_200011667753_100000210326 [0,0,1,0,0,0|1,0,0]=2 2180 B16R0.5998 CCCCCCCC(O)CC(=O)CCCCF 1458a_200011667753_100000729493 [0,0,1,0,0,0|2,0,0]=3 2181 B16R0.5998 CCCCCCCC(O)CC(=O)CCCCO 1458a_200011667753_100000210776 [0,0,1,0,0,0|2,0,0]=3 2182 B16R0.5998 CCCCCCCC(O)CC(=O)CCCOC 1458a_200011667753_100000740836 [0,0,1,0,0,0|2,0,0]=3 2183 B16R0.5998 CCCCCCCC(O)CC(=O)CCOCC 1458a_200011667753_100011215890 [0,0,1,0,0,0|2,0,0]=3 2184 B16R0.5998 CCCCCCCC(O)CC(=O)CCSCC 1458a_200011667753_100000757381 [0,0,1,0,0,0|2,0,0]=3 2185 B16R0.5998 CCCCCCCC(O)CC(=O)NCCCC 1626a_100000102301_200011667753 [0,0,1,0,0,0|2,0,0]=3 2186 B16R0.5998 CCCCCCCC(O)CC(=O)NCCCC 240690a_100000102301_200011667753 [0,0,1,0,0,0|2,0,0]=3 2187 B16R0.5998 CCCCCCCC(O)CC(=O)NCCCF 1626a_100015189416_200011667753 [0,0,1,0,0,0|3,0,0]=4 2188 B16R0.5998 CCCCCCCC(O)CC(=O)NCCCF 240690a_100015189416_200011667753 [0,0,1,0,0,0|3,0,0]=4 2189 B16R0.5998 CCCCCCCC(O)CC(=O)NCCCO 240690a_100000182051_200011667753 [0,0,1,0,0,0|3,0,0]=4 2190 B16R0.5998 CCCCCCCC(O)CC(=O)NCCOC 1626a_100000209980_200011667753 [0,0,1,0,0,0|3,0,0]=4 2191 B16R0.5998 CCCCCCCC(O)CC(=O)NCCOC 240690a_100000209980_200011667753 [0,0,1,0,0,0|3,0,0]=4 2192 B16R0.5998 CCCCCCCC(O)CC(=O)NCCSC 1626a_100020590264_200011667753 [0,0,1,0,0,0|3,0,0]=4 2193 B16R0.5998 CCCCCCCC(O)CC(=O)NCCSC 240690a_100020590264_200011667753 [0,0,1,0,0,0|3,0,0]=4 2194 B16R0.5998 CCCCCCCC(O)CC(=O)NNCCC 22a_100000740057_200011667753 [0,0,1,0,0,0|3,0,0]=4 2195 B16R0.5998 CCCCCCCN(C)CC(=O)CCCCC 2230a_100000228206_200012276598 [0,0,1,0,0,0|1,0,0]=2 2196 B16R0.5998 CCCCCCCN(C)CC(=O)CCCCC 269982a_100000228206_200012276598 [0,0,1,0,0,0|1,0,0]=2 2197 B16R0.5998 CCCCCCCN(C)CC(=O)NCCCC 2230a_100000228206_100000182744 [0,0,1,0,0,0|2,0,0]=3 2198 B16R0.5998 CCCCCCCN(C)CC(=O)NCCCC 2230a_200000213093_100000210681 [0,0,1,0,0,0|2,0,0]=3 2199 B16R0.5998 CCCCCCCN(C)CC(=O)NCCCC 269982a_100000228206_100000182744 [0,0,1,0,0,0|2,0,0]=3 2200 B16R0.5998 CCCCCCCN(C)CC(=O)NCCCC 269982a_200000213093_100000210681 [0,0,1,0,0,0|2,0,0]=3 2201 B16R0.5998 CCCCCCCN(C)CC(=O)NCCOC 2230a_100000228206_100000183275 [0,0,1,0,0,0|3,0,0]=4 2202 B16R0.5998 CCCCCCCN(C)CC(=O)NCCOC 2230a_100020672463_100000210681 [0,0,1,0,0,0|3,0,0]=4 2203 B16R0.5998 CCCCCCCN(C)CC(=O)NCCOC 269982a_100000228206_100000183275 [0,0,1,0,0,0|3,0,0]=4 2204 B16R0.5998 CCCCCCCN(C)CC(=O)NCCOC 269982a_100020672463_100000210681 [0,0,1,0,0,0|3,0,0]=4 2205 B16R0.5998 CCCCCCCN(C)CC(=O)OCCCC 2230a_100000228206_100000211628 [0,0,1,0,0,0|2,0,0]=3 2206 B16R0.5998 CCCCCCCN(C)CC(=O)OCCCC 269982a_100000228206_100000211628 [0,0,1,0,0,0|2,0,0]=3 2207 B16R0.5998 CCCCCCCN(C)CC(=O)OCCOC 2230a_100000228206_200000040189 [0,0,1,0,0,0|3,0,0]=4 2208 B16R0.5998 CCCCCCCN(C)CC(=O)OCCOC 269982a_100000228206_200000040189 [0,0,1,0,0,0|3,0,0]=4 2209 B16R0.5998 CCCCCCNC(=O)CC(=O)CCCCC 1458a_100000212188_100000230325 [0,0,1,0,0,0|2,0,1]=4 2210 B16R0.5998 CCCCCCNC(=O)CN(C)CCCCC 2230a_100000223495_100000230325 [0,0,1,0,0,0|2,0,0]=3 2211 B16R0.5998 CCCCCCNC(=O)CN(C)CCCCC 269982a_100000223495_100000230325 [0,0,1,0,0,0|2,0,0]=3 2212 B16R0.5998 CCCCCCNC(=O)CN(C)CCCCO 2230a_100000717598_100000230325 [0,0,1,0,0,0|3,0,0]=4 2213 B16R0.5998 CCCCCCNC(=O)CN(C)CCCCO 269982a_100000717598_100000230325 [0,0,1,0,0,0|3,0,0]=4 2214 B16R0.5998 CCCCCCNC(=O)CN(C)CCCOC 2230a_100000224831_100000230325 [0,0,1,0,0,0|3,0,0]=4 2215 B16R0.5998 CCCCCCNC(=O)CN(C)CCCOC 269982a_100000224831_100000230325 [0,0,1,0,0,0|3,0,0]=4 2216 B16R0.5998 CCCCCCNC(=O)NC(C)CCCCC 2708a_100000210581_100000211957 [0,0,1,0,0,0|2,0,0]=3 2217 B16R0.5998 CCCCCCNC(=O)NC(C)CCCCC 2708a_100000211957_100000210581 [0,0,1,0,0,0|2,0,0]=3 2218 B16R0.5998 CCCCCCNC(=O)NC(C)CCCCC 273464a_100000210581_100000211957 [0,0,1,0,0,0|2,0,0]=3 2219 B16R0.5998 CCCCCCNC(=O)NC(C)CCCCC 273464a_100000211957_100000210581 [0,0,1,0,0,0|2,0,0]=3 2220 B16R0.5998 CCCCCCNC(=O)NC(C)CCCCC 512a_100000210581_100000211957 [0,0,1,0,0,0|2,0,0]=3 2221 B16R0.5998 CCCCCCNC(=O)NC(C)CCCCC 512a_100000211957_100000210581 [0,0,1,0,0,0|2,0,0]=3 2222 B16R0.5998 CCCCCNCC(=O)NC(C)CCCCC 2230a_100000209983_100000230335 [0,0,1,0,0,0|2,0,0]=3 2223 B16R0.5998 CCCCCNCC(=O)OC(C)CCCCC 2230a_100000209983_200000092394 [0,0,1,0,0,0|2,0,0]=3 2224 B16R0.5998 CCCCCNNC(=O)NC(C)CCCCC 273464a_100000211957_100000694160 [0,0,1,0,0,0|3,0,0]=4 2225 B16R0.5998 CCCCCNNC(=O)NC(C)CCCCC 512a_100000211957_100000694160 [0,0,1,0,0,0|3,0,0]=4 2226 B16R0.5998 CCCCCNNC(=O)NC(C)CCCCC 512a_100000694160_100000211957 [0,0,1,0,0,0|3,0,0]=4 2227 B16R0.5998 CCCCCOCC(=O)NC(C)CCCCC 34a_100000210253_100000230335 [0,0,1,0,0,0|2,0,0]=3 2228 B16R0.5998 CCCCCOCC(=O)NC(C)CCCCC 7a_100000210253_100000230335 [0,0,1,0,0,0|2,0,0]=3 2229 B16R0.5998 CCCCCOCC(=O)OC(C)CCCCC 34a_100000210253_200000092394 [0,0,1,0,0,0|2,0,0]=3 2230 B16R0.5998 CCCCCOCC(=O)OC(C)CCCCC 7a_100000210253_200000092394 [0,0,1,0,0,0|2,0,0]=3 2231 B16R0.5998 CCCCCSCC(=O)NC(C)CCCCC 62a_100000210326_100000230335 [0,0,1,0,0,0|2,0,0]=3 2232 B16R0.5998 CCCCCSCC(=O)NC(C)CCCCC 62a_100000230335_100000210326 [0,0,1,0,0,0|2,0,0]=3 2233 B16R0.5998 CCCCCSCC(=O)OC(C)CCCCC 62a_100000210326_200000092394 [0,0,1,0,0,0|2,0,0]=3 2234 B16R0.5998 CCCCCSCC(=O)OC(C)CCCCC 62a_200000092394_100000210326 [0,0,1,0,0,0|2,0,0]=3 2235 B16R0.5998 CCCCNC(=O)CN(C)CCCCCCF 2230a_200000213093_100015922095 [0,0,1,0,0,0|3,0,0]=4 2236 B16R0.5998 CCCCNC(=O)CN(C)CCCCCCF 269982a_200000213093_100015922095 [0,0,1,0,0,0|3,0,0]=4 2237 B16R0.5998 CCCCNC(=O)CN(C)CCCCCCO 2230a_200000213093_100000766143 [0,0,1,0,0,0|3,0,0]=4 2238 B16R0.5998 CCCCNC(=O)CN(C)CCCCCCO 269982a_200000213093_100000766143 [0,0,1,0,0,0|3,0,0]=4 2239 B16R0.5998 CCCCNC(=O)CN(C)CCOCCCC 2230a_200000213093_100000743108 [0,0,1,0,0,0|3,0,0]=4 2240 B16R0.5998 CCCCNC(=O)CN(C)CCOCCCC 269982a_200000213093_100000743108 [0,0,1,0,0,0|3,0,0]=4 2241 B15R0.70 C/C=C/CCOCCCCCCCCCC 34a_100016278192_100000210320 [1,0,1,0,0,0|1,0,1]=4 2242 B15R0.70 C/C=C/CNCCCCCCCCCCC 34a_200011215754_100102629194 [1,0,1,0,0,0|1,0,1]=4 2243 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100000210809_100102629194 [1,0,1,0,0,0|1,0,1]=4 2244 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100016270725_100011215454 [1,0,1,0,0,0|1,0,1]=4 2245 B15R0.70 C/C=C/COCCCCCCCCCCC 7a_100000210809_100102629194 [1,0,1,0,0,0|1,0,1]=4 2246 B15R0.70 C/C=C/CSCCCCCCCCCCC 62a_100102629194_100011215454 [1,0,1,0,0,0|1,0,1]=4 2247 B15R0.70 C=CCCCCCCCCCCCNCC 2230a_100015525214_102130925996 [1,0,1,0,0,0|1,0,1]=4 2248 B15R0.70 C=CCCCCCCCCCCCOCC 34a_100121572206_102130925996 [1,0,1,0,0,0|1,0,1]=4 2249 B15R0.70 C=CCCCCCCCCCCCSCC 62a_100000210202_102130925996 [1,0,1,0,0,0|1,0,1]=4 2250 B15R0.70 C=CCCCCCCCCCCCSCC 62a_102130925996_100000210202 [1,0,1,0,0,0|1,0,1]=4 2251 B15R0.70 C=CCCCCCCCCCCOCCC 34a_100000210258_100011093070 [1,0,1,0,0,0|1,0,1]=4 2252 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100000210303_100011093070 [1,0,1,0,0,0|1,0,1]=4 2253 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100011093070_100000210303 [1,0,1,0,0,0|1,0,1]=4 2254 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000081888_100000210211 [1,0,1,0,0,0|1,0,1]=4 2255 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000102301_100009814027 [1,0,1,0,0,0|1,0,1]=4 2256 B15R0.70 C=CCCCCCCCCCNCCCC 34a_100000081888_100000210210 [1,0,1,0,0,0|1,0,1]=4 2257 B15R0.70 C=CCCCCCCCCCNCCCC 7a_106832991798_100009814027 [1,0,1,0,0,0|1,0,1]=4 2258 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000038209_100000210210 [1,0,1,0,0,0|1,0,1]=4 2259 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000210227_100009814027 [1,0,1,0,0,0|1,0,1]=4 2260 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000038209_100000210211 [1,0,1,0,0,0|1,0,1]=4 2261 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000210227_100009814027 [1,0,1,0,0,0|1,0,1]=4 2262 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100000210211_100009814027 [1,0,1,0,0,0|1,0,1]=4 2263 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100009814027_100000210210 [1,0,1,0,0,0|1,0,1]=4 2264 B15R0.70 C=CCCCCCCCCNCCCCC 2230a_100000209983_100011933949 [1,0,1,0,0,0|1,0,1]=4 2265 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100000210253_100011933949 [1,0,1,0,0,0|1,0,1]=4 2266 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100011215194_100000718602 [1,0,1,0,0,0|1,0,1]=4 2267 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100000210253_100011933949 [1,0,1,0,0,0|1,0,1]=4 2268 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100011215194_100000210326 [1,0,1,0,0,0|1,0,1]=4 2269 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100000210326_100011933949 [1,0,1,0,0,0|1,0,1]=4 2270 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100011933949_100000210326 [1,0,1,0,0,0|1,0,1]=4 2271 B15R0.70 C=CCCCCCCCNCCCCCC 2230a_100000210581_100012355270 [1,0,1,0,0,0|1,0,1]=4 2272 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000210259_100012355270 [1,0,1,0,0,0|1,0,1]=4 2273 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000730831_100000210314 [1,0,1,0,0,0|1,0,1]=4 2274 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000210259_100012355270 [1,0,1,0,0,0|1,0,1]=4 2275 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000730831_100000210314 [1,0,1,0,0,0|1,0,1]=4 2276 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100000210314_100012355270 [1,0,1,0,0,0|1,0,1]=4 2277 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100012355270_100000210757 [1,0,1,0,0,0|1,0,1]=4 2278 B15R0.70 C=CCCCCCCNCCCCCCC 2230a_100000229938_100011215473 [1,0,1,0,0,0|1,0,1]=4 2279 B15R0.70 C=CCCCCCCOCCCCCCC 34a_100000210272_100011215473 [1,0,1,0,0,0|1,0,1]=4 2280 B15R0.70 C=CCCCCCCOCCCCCCC 34a_200011216477_100000210614 [1,0,1,0,0,0|1,0,1]=4 2281 B15R0.70 C=CCCCCCCOCCCCCCC 7a_100000210272_100011215473 [1,0,1,0,0,0|1,0,1]=4 2282 B15R0.70 C=CCCCCCCOCCCCCCC 7a_200011216477_100000210614 [1,0,1,0,0,0|1,0,1]=4 2283 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100000210614_100011215473 [1,0,1,0,0,0|1,0,1]=4 2284 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100011215473_100000210316 [1,0,1,0,0,0|1,0,1]=4 2285 B15R0.70 C=CCCCCCNCCCCCCCC 2230a_100000229939_100000700193 [1,0,1,0,0,0|1,0,1]=4 2286 B15R0.70 C=CCCCCCNCCCCCCCC 34a_100000229939_100000700193 [1,0,1,0,0,0|1,0,1]=4 2287 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100000210232_100000700193 [1,0,1,0,0,0|1,0,1]=4 2288 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100011216702_100000210759 [1,0,1,0,0,0|1,0,1]=4 2289 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100000210232_100000700193 [1,0,1,0,0,0|1,0,1]=4 2290 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100011216702_100000210759 [1,0,1,0,0,0|1,0,1]=4 2291 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000210759_100000700193 [1,0,1,0,0,0|1,0,1]=4 2292 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000700193_100000210317 [1,0,1,0,0,0|1,0,1]=4 2293 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000212291_100011215482 [1,0,1,0,0,0|1,0,1]=4 2294 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000703577_100011214924 [1,0,1,0,0,0|1,0,1]=4 2295 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000212291_100011215482 [1,0,1,0,0,0|1,0,1]=4 2296 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000703577_100011214924 [1,0,1,0,0,0|1,0,1]=4 2297 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000210712_100011215482 [1,0,1,0,0,0|1,0,1]=4 2298 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000766645_100011214924 [1,0,1,0,0,0|1,0,1]=4 2299 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000210712_100011215482 [1,0,1,0,0,0|1,0,1]=4 2300 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000766645_100000210328 [1,0,1,0,0,0|1,0,1]=4 2301 B15R0.70 C=CCCCCSCCCCCCCCC 62a_100011215482_100000210670 [1,0,1,0,0,0|1,0,1]=4 2302 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000684558_100011713584 [1,0,1,0,0,0|1,0,1]=4 2303 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000700776_100000210320 [1,0,1,0,0,0|1,0,1]=4 2304 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000684558_100000757094 [1,0,1,0,0,0|1,0,1]=4 2305 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000700776_100000210320 [1,0,1,0,0,0|1,0,1]=4 2306 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000210711_100000757094 [1,0,1,0,0,0|1,0,1]=4 2307 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000758997_100000210320 [1,0,1,0,0,0|1,0,1]=4 2308 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000210711_100000757094 [1,0,1,0,0,0|1,0,1]=4 2309 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000758997_100000210320 [1,0,1,0,0,0|1,0,1]=4 2310 B15R0.70 C=CCCCSCCCCCCCCCC 62a_100011713584_100000210320 [1,0,1,0,0,0|1,0,1]=4 2311 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_100015191253_100011215454 [1,0,1,0,0,0|1,0,1]=4 2312 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_200011215754_100000754431 [1,0,1,0,0,0|1,0,1]=4 2313 B15R0.70 C=CCCNCCCCCCCCCCC 34a_200011215754_100000754431 [1,0,1,0,0,0|1,0,1]=4 2314 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100000210809_100000754431 [1,0,1,0,0,0|1,0,1]=4 2315 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100011205117_100011215454 [1,0,1,0,0,0|1,0,1]=4 2316 B15R0.70 C=CCCOCCCCCCCCCCC 7a_100000210809_100000754431 [1,0,1,0,0,0|1,0,1]=4 2317 B15R0.70 C=CCCSCCCCCCCCCCC 62a_100000754431_100011215454 [1,0,1,0,0,0|1,0,1]=4 2318 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100000210451_100000210623 [1,0,1,0,0,0|1,0,1]=4 2319 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100020586998_100011215052 [1,0,1,0,0,0|1,0,1]=4 2320 B15R0.70 C=CCNCCCCCCCCCCCC 270004a_100020586998_100011218549 [1,0,1,0,0,0|1,0,1]=4 2321 B15R0.70 C=CCNCCCCCCCCCCCC 34a_100000210451_100015514636 [1,0,1,0,0,0|1,0,1]=4 2322 B15R0.70 C=CCOCCCCCCCCCCCC 34a_100000210810_100015514636 [1,0,1,0,0,0|1,0,1]=4 2323 B15R0.70 C=CCOCCCCCCCCCCCC 34a_200000210373_100000759014 [1,0,1,0,0,0|1,0,1]=4 2324 B15R0.70 C=CCOCCCCCCCCCCCC 7a_100000210810_100015514636 [1,0,1,0,0,0|1,0,1]=4 2325 B15R0.70 C=CCSCCCCCCCCCCCC 62a_100000210623_100000759014 [1,0,1,0,0,0|1,0,1]=4 2326 B15R0.70 CC/C=C/CCCCCCCCCCOC 34a_200025759790_200000210301 [1,0,1,0,0,0|1,0,1]=4 2327 B15R0.70 CC/C=C/CCCCCCCCCCOC 7a_200025759790_200000210301 [1,0,1,0,0,0|1,0,1]=4 2328 B15R0.70 CC/C=C/CCCCCCCCCCO[13CH3] 34a_200025759790_200025704644 [1,0,1,0,0,0|1,0,1]=4 2329 B15R0.70 CC/C=C/CCCCCCCCCCO[13CH3] 7a_200025759790_200025704644 [1,0,1,0,0,0|1,0,1]=4 2330 B15R0.70 CC/C=C/CCCOCCCCCCCC 34a_100016287902_100000210759 [1,0,1,0,0,0|1,0,1]=4 2331 B15R0.70 CC/C=C/CCCOCCCCCCCC 7a_100016287902_100000210759 [1,0,1,0,0,0|1,0,1]=4 2332 B15R0.70 CC/C=C\CCCCCCCNCCCC 269862a_100000102301_200025770492 [1,0,1,0,0,0|1,0,1]=4 2333 B15R0.70 CC/C=C\CCCCCNCCCCCC 269862a_100000210581_100016288537 [1,0,1,0,0,0|1,0,1]=4 2334 B15R0.70 CC/C=C\CCCCCOCCCCCC 34a_100016268722_100000210314 [1,0,1,0,0,0|1,0,1]=4 2335 B15R0.70 CC/C=C\CCCCCOCCCCCC 7a_100016268722_100000210314 [1,0,1,0,0,0|1,0,1]=4 2336 B15R0.70 CC/C=C\CCCCOCCCCCCC 34a_100016287862_100000210614 [1,0,1,0,0,0|1,0,1]=4 2337 B15R0.70 CC/C=C\CCCCOCCCCCCC 7a_100016287862_100000210614 [1,0,1,0,0,0|1,0,1]=4 2338 B15R0.70 CC/C=C\CCNCCCCCCCCC 2230a_100000212291_100015370543 [1,0,1,0,0,0|1,0,1]=4 2339 B15R0.70 CC/C=C\CCNCCCCCCCCC 34a_100000212291_100015370543 [1,0,1,0,0,0|1,0,1]=4 2340 B15R0.70 CC/C=C\CCOCCCCCCCCC 34a_100000210712_100015370543 [1,0,1,0,0,0|1,0,1]=4 2341 B15R0.70 CC/C=C\CCOCCCCCCCCC 34a_100016288707_100011214924 [1,0,1,0,0,0|1,0,1]=4 2342 B15R0.70 CC/C=C\CCOCCCCCCCCC 7a_100000210712_100015370543 [1,0,1,0,0,0|1,0,1]=4 2343 B15R0.70 CC/C=C\CCOCCCCCCCCC 7a_100016288707_100000210328 [1,0,1,0,0,0|1,0,1]=4 2344 B15R0.70 CC/C=C\CCSCCCCCCCCC 62a_100015370543_100000210670 [1,0,1,0,0,0|1,0,1]=4 2345 B15R0.70 CC/C=C\CNCCCCCCCCCC 2230a_100000684558_100103147603 [1,0,1,0,0,0|1,0,1]=4 2346 B15R0.70 CC/C=C\CNCCCCCCCCCC 34a_100000684558_100103147603 [1,0,1,0,0,0|1,0,1]=4 2347 B15R0.70 CC/C=C\COCCCCCCCCCC 34a_100000210711_100103147603 [1,0,1,0,0,0|1,0,1]=4 2348 B15R0.70 CC/C=C\COCCCCCCCCCC 34a_100016268518_100000210320 [1,0,1,0,0,0|1,0,1]=4 2349 B15R0.70 CC/C=C\COCCCCCCCCCC 7a_100000210711_100103147603 [1,0,1,0,0,0|1,0,1]=4 2350 B15R0.70 CC/C=C\CSCCCCCCCCCC 62a_100103147603_100000210320 [1,0,1,0,0,0|1,0,1]=4 2351 B15R0.70 CC=CCCCOCCCCCCCCC 34a_100020645299_100011214924 [1,0,1,0,0,0|1,0,1]=4 2352 B15R0.70 CC=CCNCCCCCCCCCCC 2230a_200011215754_100000070051 [1,0,1,0,0,0|1,0,1]=4 2353 B15R0.70 CC=CCNCCCCCCCCCCC 34a_200011215754_100000070051 [1,0,1,0,0,0|1,0,1]=4 2354 B15R0.70 CC=CCOCCCCCCCCCCC 34a_100000210809_100000070051 [1,0,1,0,0,0|1,0,1]=4 2355 B15R0.70 CC=CCOCCCCCCCCCCC 7a_100000210809_100000070051 [1,0,1,0,0,0|1,0,1]=4 2356 B15R0.70 CC=CCSCCCCCCCCCCC 62a_100000070051_100011215454 [1,0,1,0,0,0|1,0,1]=4 2357 B15R0.70 CCC/C=C/COCCCCCCCCC 34a_100016278788_100011214924 [1,0,1,0,0,0|1,0,1]=4 2358 B15R0.70 CCC/C=C/COCCCCCCCCC 7a_100016278788_100000210328 [1,0,1,0,0,0|1,0,1]=4 2359 B15R0.70 CCCCCCCCCCCCCCNC 2230a_100011217771_200000210301 [1,0,1,0,0,0|1,0,0]=3 2360 B15R0.70 CCCCCCCCCCCCCCNC 2230a_106832991635_100011215471 [1,0,1,0,0,0|1,0,0]=3 2361 B15R0.70 CCCCCCCCCCCCCCNC 270004a_106832991635_200011216147 [1,0,1,0,0,0|1,0,0]=3 2362 B15R0.70 CCCCCCCCCCCCCCNC 34a_100011217771_200000210301 [1,0,1,0,0,0|1,0,0]=3 2363 B15R0.70 CCCCCCCCCCCCCCNC 34a_100102657272_100011215471 [1,0,1,0,0,0|1,0,0]=3 2364 B15R0.70 CCCCCCCCCCCCCCNC 7a_106832991635_100011215471 [1,0,1,0,0,0|1,0,0]=3 2365 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 2230a_100011217771_200025704644 [1,0,1,0,0,0|1,0,0]=3 2366 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 34a_100011217771_200025704644 [1,0,1,0,0,0|1,0,0]=3 2367 B15R0.70 CCCCCCCCCCCCCCOC 34a_100000210739_200000210301 [1,0,1,0,0,0|1,0,0]=3 2368 B15R0.70 CCCCCCCCCCCCCCOC 34a_100138415774_100011215471 [1,0,1,0,0,0|1,0,0]=3 2369 B15R0.70 CCCCCCCCCCCCCCOC 7a_100000210739_200000210301 [1,0,1,0,0,0|1,0,0]=3 2370 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 34a_100000210739_200025704644 [1,0,1,0,0,0|1,0,0]=3 2371 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 7a_100000210739_200025704644 [1,0,1,0,0,0|1,0,0]=3 2372 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100011215765_100000210202 [1,0,1,0,0,0|1,0,1]=4 2373 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100015525214_100000210684 [1,0,1,0,0,0|1,0,1]=4 2374 B15R0.70 CCCCCCCCCCCCCNCC 270004a_100015525214_200011215488 [1,0,1,0,0,0|1,0,1]=4 2375 B15R0.70 CCCCCCCCCCCCCNCC 34a_100011215765_100000210202 [1,0,1,0,0,0|1,0,1]=4 2376 B15R0.70 CCCCCCCCCCCCCOCC 34a_100000185773_100000210202 [1,0,1,0,0,0|1,0,1]=4 2377 B15R0.70 CCCCCCCCCCCCCOCC 34a_100121572206_100000210684 [1,0,1,0,0,0|1,0,1]=4 2378 B15R0.70 CCCCCCCCCCCCCOCC 7a_100000185773_100000210202 [1,0,1,0,0,0|1,0,1]=4 2379 B15R0.70 CCCCCCCCCCCCNCC=O 2230a_100000210451_200015260668 [1,0,1,0,0,0|1,0,0]=3 2380 B15R0.70 CCCCCCCCCCCCNCC=O 34a_100000210451_200009817547 [1,0,1,0,0,0|1,0,0]=3 2381 B15R0.70 CCCCCCCCCCCCNCCC 2230a_100000210451_100000210303 [1,0,1,0,0,0|1,0,0]=3 2382 B15R0.70 CCCCCCCCCCCCNCCC 270004a_100020643023_100011218549 [1,0,1,0,0,0|1,0,0]=3 2383 B15R0.70 CCCCCCCCCCCCNCCC 34a_100000210451_100000210303 [1,0,1,0,0,0|1,0,0]=3 2384 B15R0.70 CCCCCCCCCCCCNCCF 2230a_100000210451_100011217306 [1,0,1,0,0,0|2,0,0]=4 2385 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000210451_100011217306 [1,0,1,0,0,0|2,0,0]=4 2386 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000724931_100000759014 [1,0,1,0,0,0|2,0,0]=4 2387 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100000210451_100000211926 [1,0,1,0,0,0|2,0,0]=4 2388 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100016997473_100011215052 [1,0,1,0,0,0|2,0,0]=4 2389 B15R0.70 CCCCCCCCCCCCNCCO 270004a_100000210304_100011218549 [1,0,1,0,0,0|2,0,0]=4 2390 B15R0.70 CCCCCCCCCCCCNCCO 34a_100000210451_100000211926 [1,0,1,0,0,0|2,0,0]=4 2391 B15R0.70 CCCCCCCCCCCCNCCO 34a_100016990907_100000759014 [1,0,1,0,0,0|2,0,0]=4 2392 B15R0.70 CCCCCCCCCCCCNCOC 2230a_100000210451_100000766300 [1,0,1,0,0,0|2,0,0]=4 2393 B15R0.70 CCCCCCCCCCCCNCSC 2230a_100000210451_100011218213 [1,0,1,0,0,0|2,0,0]=4 2394 B15R0.70 CCCCCCCCCCCCNCSC 34a_100000210451_100011218213 [1,0,1,0,0,0|2,0,0]=4 2395 B15R0.70 CCCCCCCCCCCCOCC=O 34a_100000210810_200009817547 [1,0,1,0,0,0|1,0,0]=3 2396 B15R0.70 CCCCCCCCCCCCOCC=O 7a_100000210810_200015260668 [1,0,1,0,0,0|1,0,0]=3 2397 B15R0.70 CCCCCCCCCCCCOCCBr 34a_100000211926_100000759014 [1,0,1,0,0,0|2,0,0]=4 2398 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210258_100000759014 [1,0,1,0,0,0|1,0,0]=3 2399 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210810_100000210303 [1,0,1,0,0,0|1,0,0]=3 2400 B15R0.70 CCCCCCCCCCCCOCCC 7a_100000210810_100000210303 [1,0,1,0,0,0|1,0,0]=3 2401 B15R0.70 CCCCCCCCCCCCOCCF 34a_100000210810_100011217306 [1,0,1,0,0,0|2,0,0]=4 2402 B15R0.70 CCCCCCCCCCCCOCCF 7a_100000210810_100011217306 [1,0,1,0,0,0|2,0,0]=4 2403 B15R0.70 CCCCCCCCCCCCOCCN 34a_100000210304_100000759014 [1,0,1,0,0,0|2,0,0]=4 2404 B15R0.70 CCCCCCCCCCCCOCCO 34a_100000210810_100000211926 [1,0,1,0,0,0|2,0,0]=4 2405 B15R0.70 CCCCCCCCCCCCOCCO 7a_100000210810_100000211926 [1,0,1,0,0,0|2,0,0]=4 2406 B15R0.70 CCCCCCCCCCCCOCSC 34a_100000210810_100011218213 [1,0,1,0,0,0|2,0,0]=4 2407 B15R0.70 CCCCCCCCCCCCSCC=O 62a_200015260668_100000759014 [1,0,1,0,0,0|1,0,0]=3 2408 B15R0.70 CCCCCCCCCCCCSCCF 62a_100011217306_100000759014 [1,0,1,0,0,0|2,0,0]=4 2409 B15R0.70 CCCCCCCCCCCCSCCO 62a_100000211926_100000759014 [1,0,1,0,0,0|2,0,0]=4 2410 B15R0.70 CCCCCCCCCCCCSCOC 62a_100000766300_100000759014 [1,0,1,0,0,0|2,0,0]=4 2411 B15R0.70 CCCCCCCCCCCCSCSC 62a_100011218213_100000759014 [1,0,1,0,0,0|2,0,0]=4 2412 B15R0.70 CCCCCCCCCCCNCCCC 2230a_100000102301_100011215454 [1,0,1,0,0,0|1,0,1]=4 2413 B15R0.70 CCCCCCCCCCCNCCCC 2230a_200011215754_100000210211 [1,0,1,0,0,0|1,0,1]=4 2414 B15R0.70 CCCCCCCCCCCNCCCC 34a_200011215754_100000210210 [1,0,1,0,0,0|1,0,1]=4 2415 B15R0.70 CCCCCCCCCCCNCCCC 7a_106832991798_100011215454 [1,0,1,0,0,0|1,0,1]=4 2416 B15R0.70 CCCCCCCCCCCNCCOC 2230a_100000209980_100011215454 [1,0,1,0,0,0|2,0,0]=4 2417 B15R0.70 CCCCCCCCCCCNCCOC 2230a_200011215754_100011201679 [1,0,1,0,0,0|2,0,0]=4 2418 B15R0.70 CCCCCCCCCCCNCCOC 34a_200011215754_100011201679 [1,0,1,0,0,0|2,0,0]=4 2419 B15R0.70 CCCCCCCCCCCNCCSC 2230a_100020590264_100011215454 [1,0,1,0,0,0|2,0,0]=4 2420 B15R0.70 CCCCCCCCCCCNCCSC 2230a_200011215754_100000751147 [1,0,1,0,0,0|2,0,0]=4 2421 B15R0.70 CCCCCCCCCCCNCCSC 34a_200011215754_100000212216 [1,0,1,0,0,0|2,0,0]=4 2422 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210227_100011215454 [1,0,1,0,0,0|1,0,1]=4 2423 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210809_100000210210 [1,0,1,0,0,0|1,0,1]=4 2424 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210227_100011215454 [1,0,1,0,0,0|1,0,1]=4 2425 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210809_100000210211 [1,0,1,0,0,0|1,0,1]=4 2426 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210237_100011215454 [1,0,1,0,0,0|2,0,0]=4 2427 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210809_100011201679 [1,0,1,0,0,0|2,0,0]=4 2428 B15R0.70 CCCCCCCCCCCOCCOC 34a_100010166600_200000210301 [1,0,1,0,0,0|2,0,0]=4 2429 B15R0.70 CCCCCCCCCCCOCCOC 7a_100000210809_100000233755 [1,0,1,0,0,0|2,0,0]=4 2430 B15R0.70 CCCCCCCCCCCOCCOC 7a_100010166600_200000210301 [1,0,1,0,0,0|2,0,0]=4 2431 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 34a_100010166600_200025704644 [1,0,1,0,0,0|2,0,0]=4 2432 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 7a_100010166600_200025704644 [1,0,1,0,0,0|2,0,0]=4 2433 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000210809_100000212216 [1,0,1,0,0,0|2,0,0]=4 2434 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000230434_100011215454 [1,0,1,0,0,0|2,0,0]=4 2435 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000210809_100000212216 [1,0,1,0,0,0|2,0,0]=4 2436 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000230434_100011215454 [1,0,1,0,0,0|2,0,0]=4 2437 B15R0.70 CCCCCCCCCCCSCCOC 62a_100000233755_100011215454 [1,0,1,0,0,0|2,0,0]=4 2438 B15R0.70 CCCCCCCCCCCSCCSC 62a_100000212216_100011215454 [1,0,1,0,0,0|2,0,0]=4 2439 B15R0.70 CCCCCCCCCCNCCCC=O 2230a_100000684558_200011292268 [1,0,1,0,0,0|1,0,0]=3 2440 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000209983_100000210320 [1,0,1,0,0,0|1,0,1]=4 2441 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000684558_100000210326 [1,0,1,0,0,0|1,0,1]=4 2442 B15R0.70 CCCCCCCCCCNCCCCC 34a_100000684558_100000718602 [1,0,1,0,0,0|1,0,1]=4 2443 B15R0.70 CCCCCCCCCCNCCCOC 2230a_100000684558_100000740836 [1,0,1,0,0,0|2,0,0]=4 2444 B15R0.70 CCCCCCCCCCNCCCOC 34a_100000684558_100000740836 [1,0,1,0,0,0|2,0,0]=4 2445 B15R0.70 CCCCCCCCCCNCCCOC 34a_100150723488_100000210320 [1,0,1,0,0,0|2,0,0]=4 2446 B15R0.70 CCCCCCCCCCNCCCSC 2230a_100000749238_100000210320 [1,0,1,0,0,0|2,0,0]=4 2447 B15R0.70 CCCCCCCCCCOCCCC=O 7a_100000210711_200011292268 [1,0,1,0,0,0|1,0,0]=3 2448 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210253_100000210320 [1,0,1,0,0,0|1,0,1]=4 2449 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210711_100000718602 [1,0,1,0,0,0|1,0,1]=4 2450 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210253_100000210320 [1,0,1,0,0,0|1,0,1]=4 2451 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210711_100000210326 [1,0,1,0,0,0|1,0,1]=4 2452 B15R0.70 CCCCCCCCCCOCCCNC 34a_100000213112_100000210320 [1,0,1,0,0,0|2,0,0]=4 2453 B15R0.70 CCCCCCCCCCOCCCOC 34a_100000210711_100000740836 [1,0,1,0,0,0|2,0,0]=4 2454 B15R0.70 CCCCCCCCCCOCCCOC 34a_100000740835_100000210320 [1,0,1,0,0,0|2,0,0]=4 2455 B15R0.70 CCCCCCCCCCOCCCOC 7a_100000210711_100000740836 [1,0,1,0,0,0|2,0,0]=4 2456 B15R0.70 CCCCCCCCCCOCCCSC 34a_100000690336_100000210320 [1,0,1,0,0,0|2,0,0]=4 2457 B15R0.70 CCCCCCCCCCOCCCSC 7a_100000690336_100000210320 [1,0,1,0,0,0|2,0,0]=4 2458 B15R0.70 CCCCCCCCCCSCCCC=O 62a_200011292268_100000210320 [1,0,1,0,0,0|1,0,0]=3 2459 B15R0.70 CCCCCCCCCCSCCCOC 62a_100000709357_100000210320 [1,0,1,0,0,0|2,0,0]=4 2460 B15R0.70 CCCCCCCCCNCCCCC=O 2230a_100000212291_100000139335 [1,0,1,0,0,0|1,0,0]=3 2461 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000210581_100011214924 [1,0,1,0,0,0|1,0,1]=4 2462 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000212291_100000210314 [1,0,1,0,0,0|1,0,1]=4 2463 B15R0.70 CCCCCCCCCNCCCCCC 34a_100000212291_100000210314 [1,0,1,0,0,0|1,0,1]=4 2464 B15R0.70 CCCCCCCCCNCCCCOC 2230a_100000212291_100000730899 [1,0,1,0,0,0|2,0,0]=4 2465 B15R0.70 CCCCCCCCCNCCCCOC 34a_100000212291_100000755781 [1,0,1,0,0,0|2,0,0]=4 2466 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100000212291_100011215938 [1,0,1,0,0,0|2,0,0]=4 2467 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100161115042_100011214924 [1,0,1,0,0,0|2,0,0]=4 2468 B15R0.70 CCCCCCCCCNCCOCCC 34a_100000212291_100011215938 [1,0,1,0,0,0|2,0,0]=4 2469 B15R0.70 CCCCCCCCCNCCOCCC 34a_100161115042_100011214924 [1,0,1,0,0,0|2,0,0]=4 2470 B15R0.70 CCCCCCCCCNCCSCCC 2230a_100020603323_100011214924 [1,0,1,0,0,0|2,0,0]=4 2471 B15R0.70 CCCCCCCCCOCCCCC=O 7a_100000210712_100000139335 [1,0,1,0,0,0|1,0,0]=3 2472 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210259_100011214924 [1,0,1,0,0,0|1,0,1]=4 2473 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210712_100000210314 [1,0,1,0,0,0|1,0,1]=4 2474 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210259_100000210328 [1,0,1,0,0,0|1,0,1]=4 2475 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210712_100000210314 [1,0,1,0,0,0|1,0,1]=4 2476 B15R0.70 CCCCCCCCCOCCCCOC 34a_100000210712_100000755781 [1,0,1,0,0,0|2,0,0]=4 2477 B15R0.70 CCCCCCCCCOCCCCOC 34a_100000740925_100011214924 [1,0,1,0,0,0|2,0,0]=4 2478 B15R0.70 CCCCCCCCCOCCCCOC 7a_100000210712_100000730899 [1,0,1,0,0,0|2,0,0]=4 2479 B15R0.70 CCCCCCCCCOCCCCSC 34a_100011217163_100011214924 [1,0,1,0,0,0|2,0,0]=4 2480 B15R0.70 CCCCCCCCCOCCCCSC 7a_100011217163_100000210328 [1,0,1,0,0,0|2,0,0]=4 2481 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000210712_100011215938 [1,0,1,0,0,0|2,0,0]=4 2482 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000752267_100011214924 [1,0,1,0,0,0|2,0,0]=4 2483 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000210712_100011215938 [1,0,1,0,0,0|2,0,0]=4 2484 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000752267_100000210328 [1,0,1,0,0,0|2,0,0]=4 2485 B15R0.70 CCCCCCCCCOCCSCCC 34a_200000230433_100011214924 [1,0,1,0,0,0|2,0,0]=4 2486 B15R0.70 CCCCCCCCCOCCSCCC 7a_200000230433_100000210328 [1,0,1,0,0,0|2,0,0]=4 2487 B15R0.70 CCCCCCCCCSCCCCC=O 62a_100000139335_100000210670 [1,0,1,0,0,0|1,0,0]=3 2488 B15R0.70 CCCCCCCCCSCCCCOC 62a_100000730899_100000210670 [1,0,1,0,0,0|2,0,0]=4 2489 B15R0.70 CCCCCCCCCSCCOCCC 62a_100011215938_100000210670 [1,0,1,0,0,0|2,0,0]=4 2490 B15R0.70 CCCCCCCCNCCCCCC=O 2230a_100000229939_100000139337 [1,0,1,0,0,0|1,0,0]=3 2491 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229938_100000210759 [1,0,1,0,0,0|1,0,1]=4 2492 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229939_100000210681 [1,0,1,0,0,0|1,0,1]=4 2493 B15R0.70 CCCCCCCCNCCCCCCC 34a_100000229939_100000210614 [1,0,1,0,0,0|1,0,1]=4 2494 B15R0.70 CCCCCCCCNCCCCCOC 2230a_100000747528_100000210759 [1,0,1,0,0,0|2,0,0]=4 2495 B15R0.70 CCCCCCCCNCCCCCOC 34a_100000747528_100000210759 [1,0,1,0,0,0|2,0,0]=4 2496 B15R0.70 CCCCCCCCNCCCOCCC 2230a_100011217757_100000210759 [1,0,1,0,0,0|2,0,0]=4 2497 B15R0.70 CCCCCCCCNCCCOCCC 34a_100011217757_100000210759 [1,0,1,0,0,0|2,0,0]=4 2498 B15R0.70 CCCCCCCCOCCCCCC=O 7a_100000210232_100000139337 [1,0,1,0,0,0|1,0,0]=3 2499 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210232_100000210614 [1,0,1,0,0,0|1,0,1]=4 2500 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210272_100000210759 [1,0,1,0,0,0|1,0,1]=4 2501 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210232_100000210614 [1,0,1,0,0,0|1,0,1]=4 2502 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210272_100000210759 [1,0,1,0,0,0|1,0,1]=4 2503 B15R0.70 CCCCCCCCOCCCCCNC 34a_100000722520_100000210759 [1,0,1,0,0,0|2,0,0]=4 2504 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000139337_100000210317 [1,0,1,0,0,0|1,0,0]=3 2505 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000210759_100000139337 [1,0,1,0,0,0|1,0,0]=3 2506 B15R0.70 CCCCCCCNCCCCCCOC 2230a_100000229938_100011998445 [1,0,1,0,0,0|2,0,0]=4 2507 B15R0.70 CCCCCCCOCCCCCCOC 34a_100000210272_100011998445 [1,0,1,0,0,0|2,0,0]=4 2508 B15R0.70 CCCCCCCOCCCCCCOC 34a_200012092642_100000210614 [1,0,1,0,0,0|2,0,0]=4 2509 B15R0.70 CCCCCCCOCCCCCCOC 7a_100000210272_100011998445 [1,0,1,0,0,0|2,0,0]=4 2510 B15R0.70 CCCCCCCOCCCCCCOC 7a_200012092642_100000210614 [1,0,1,0,0,0|2,0,0]=4 2511 B15R0.70 CCCCCCCSCCCCCCOC 62a_100000210614_100011998445 [1,0,1,0,0,0|2,0,0]=4 2512 B15R0.70 CCCCCCCSCCCCCCOC 62a_100011998445_100000210316 [1,0,1,0,0,0|2,0,0]=4 2513 B15R0.70 CCCCCCOCCOCCCCC=O 7a_100000691444_100000139335 [1,0,1,0,0,0|2,0,0]=4 2514 B15R0.70 CCCCCOCCOCCCCCC=O 7a_100011215259_100000139337 [1,0,1,0,0,0|2,0,0]=4 2515 B15R0.70 CCCCOCCCCOCCCCC=O 7a_200000760531_100000139335 [1,0,1,0,0,0|2,0,0]=4 2516 B15R0.70 CCCCOCCCNCCCCCC=O 2230a_200000211371_100000139337 [1,0,1,0,0,0|2,0,0]=4 2517 B15R0.70 CCCCOCCCOCCCCCC=O 7a_200011215613_100000139337 [1,0,1,0,0,0|2,0,0]=4 2518 B15R0.70 CCCOCCCCCCCCCCCBr 34a_100009812471_100000210303 [1,0,1,0,0,0|2,0,0]=4 2519 B15R0.70 CCCOCCCCCCCCCCCBr 7a_100009812471_100000210303 [1,0,1,0,0,0|2,0,0]=4 2520 B15R0.70 CCCOCCCCCCCCCCCO 34a_100000210258_100009812471 [1,0,1,0,0,0|2,0,0]=4 2521 B15R0.70 CCCOCCCCCCCCCOCC 34a_100009875440_100000210303 [1,0,1,0,0,0|2,0,0]=4 2522 B15R0.70 CCCOCCCCCCCCCOCC 7a_100009875440_100000210303 [1,0,1,0,0,0|2,0,0]=4 2523 B15R0.70 CCCSCCCCCCCCCCCO 62a_100009812471_100000210303 [1,0,1,0,0,0|2,0,0]=4 2524 B15R0.70 CCOCCCCCCCCCOCC=O 34a_100009875440_200009817547 [1,0,1,0,0,0|2,0,0]=4 2525 B15R0.70 CCOCCCCCCCCCOCC=O 7a_100009875440_200015260668 [1,0,1,0,0,0|2,0,0]=4 2526 B15R0.70 CNCCCCCCCCCCCCCO 2230a_106832991635_100009812470 [1,0,1,0,0,0|2,0,0]=4 2527 B15R0.70 CNCCCCCCCCCCCCCO 34a_100102657272_100009812470 [1,0,1,0,0,0|2,0,0]=4 2528 B15R0.70 CNCCCCCCCCCCCCCO 7a_106832991635_100009812470 [1,0,1,0,0,0|2,0,0]=4 2529 B15R0.70 COCCCCCCCCCCCCCBr 34a_100009812470_200000210301 [1,0,1,0,0,0|2,0,0]=4 2530 B15R0.70 COCCCCCCCCCCCCCBr 7a_100009812470_200000210301 [1,0,1,0,0,0|2,0,0]=4 2531 B15R0.70 COCCCCCCCCCCCCCO 34a_100138415774_100009812470 [1,0,1,0,0,0|2,0,0]=4 2532 B15R0.70 COCCCCCCOCCCCCC=O 7a_200012092642_100000139337 [1,0,1,0,0,0|2,0,0]=4 2533 B15R0.70 COCCCCCCSCCCCCC=O 62a_100000139337_100011998445 [1,0,1,0,0,0|2,0,0]=4 2534 B15R0.70 COCCCCCCSCCCCCC=O 62a_100011998445_100000139337 [1,0,1,0,0,0|2,0,0]=4 2535 B15R0.70 CSCCCCCCCCCCCCCO 62a_100009812470_200000210301 [1,0,1,0,0,0|2,0,0]=4 2536 B15R0.70 O=CCCCCCNCCCCCCCO 2230a_100011996573_100000139337 [1,0,1,0,0,0|2,0,0]=4 2537 B15R0.70 O=CCCCCCOCCCCCCCBr 7a_100000760002_100000139337 [1,0,1,0,0,0|2,0,0]=4 2538 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000139337_100000760002 [1,0,1,0,0,0|2,0,0]=4 2539 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000760002_100000139337 [1,0,1,0,0,0|2,0,0]=4 2540 B15R0.70 O=CCCCCNCCCCCCCCO 2230a_102515433106_100000139335 [1,0,1,0,0,0|2,0,0]=4 2541 B15R0.70 O=CCCCCOCCCCCCCCBr 7a_100009813846_100000139335 [1,0,1,0,0,0|2,0,0]=4 2542 B15R0.70 O=CCCCCOCCCCCCCCCl 7a_100000033203_100000139335 [1,0,1,0,0,0|2,0,0]=4 2543 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000033203_100000139335 [1,0,1,0,0,0|2,0,0]=4 2544 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000139335_100000033203 [1,0,1,0,0,0|2,0,0]=4 2545 B15R0.70 O=CCCCNCCCCCCCCCO 2230a_100000078944_200011292268 [1,0,1,0,0,0|2,0,0]=4 2546 B15R0.70 O=CCCCOCCCCCCCCCBr 7a_100009813782_200011292268 [1,0,1,0,0,0|2,0,0]=4 2547 B15R0.70 O=CCCCOCCCCCCCCCCl 7a_100009868337_200011292268 [1,0,1,0,0,0|2,0,0]=4 2548 B15R0.70 O=CCCCSCCCCCCCCCO 62a_100009813782_200011292268 [1,0,1,0,0,0|2,0,0]=4 2549 B15R0.70 O=CCCCSCCCCCCCCCO 62a_200011292268_100009813782 [1,0,1,0,0,0|2,0,0]=4 2550 B15R0.70 O=CCOCCCCCCCCCCCBr 34a_100009812471_200009817547 [1,0,1,0,0,0|2,0,0]=4 2551 B15R0.70 O=CCOCCCCCCCCCCCBr 7a_100009812471_200015260668 [1,0,1,0,0,0|2,0,0]=4 2552 B15R0.70 O=CCSCCCCCCCCCCCO 62a_100009812471_200015260668 [1,0,1,0,0,0|2,0,0]=4 2553 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 34a_100009812470_200025704644 [1,0,1,0,0,0|2,0,0]=4 2554 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 7a_100009812470_200025704644 [1,0,1,0,0,0|2,0,0]=4 2555 B15R0.70 [13CH3]SCCCCCCCCCCCCCO 62a_100009812470_200025704644 [1,0,1,0,0,0|2,0,0]=4 2556 B15R0.81 C#CC(=O)CCCCCCCCCCCC 1458a_100000211873_100000759014 [1,0,1,0,0,0|0,0,2]=4 2557 B15R0.81 C=CC(=O)CCCCCCCCCCCC 1458a_100000185746_100000759014 [1,0,1,0,0,0|0,0,2]=4 2558 B15R0.81 C=CC(C)COCCCCCCCCCC 34a_100011215527_100000210320 [1,0,1,0,0,0|1,0,1]=4 2559 B15R0.81 C=CC(C)COCCCCCCCCCC 7a_100011215527_100000210320 [1,0,1,0,0,0|1,0,1]=4 2560 B15R0.81 C=CC(C)OCCCCCCCCCCC 34a_100000695699_100011215454 [1,0,1,0,0,0|1,0,1]=4 2561 B15R0.81 C=CC(C)SCCCCCCCCCCC 62a_100011215867_100011215454 [1,0,1,0,0,0|1,0,1]=4 2562 B15R0.81 C=CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011093070 [1,0,1,0,0,0|0,0,2]=4 2563 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [1,0,1,0,0,0|1,0,0]=3 2564 B15R0.81 CCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747405 [1,0,1,0,0,0|2,0,0]=4 2565 B15R0.81 CCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747405 [1,0,1,0,0,0|2,0,0]=4 2566 B15R0.81 CCC(=O)COCCCCCCCCCO 34a_100000725409_100009813782 [1,0,1,0,0,0|2,0,0]=4 2567 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100000747405_100009813782 [1,0,1,0,0,0|2,0,0]=4 2568 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747405 [1,0,1,0,0,0|2,0,0]=4 2569 B15R0.81 CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210414 [1,0,1,0,0,0|2,0,0]=4 2570 B15R0.81 CCC(C)CNCCCCCCCCCO 2230a_100000078944_100000748023 [1,0,1,0,0,0|2,0,0]=4 2571 B15R0.81 CCC(C)CNCCCCCCCCCO 2230a_100020588543_100009813782 [1,0,1,0,0,0|2,0,0]=4 2572 B15R0.81 CCC(C)CNCCCCCCCCCO 270004a_100000078944_100000243153 [1,0,1,0,0,0|2,0,0]=4 2573 B15R0.81 CCC(C)CNCCCCCCCCCO 34a_100000078944_100000748023 [1,0,1,0,0,0|2,0,0]=4 2574 B15R0.81 CCC(C)COCCCCCCCCCBr 34a_100009813782_100000748023 [1,0,1,0,0,0|2,0,0]=4 2575 B15R0.81 CCC(C)COCCCCCCCCCBr 7a_100009813782_100000748023 [1,0,1,0,0,0|2,0,0]=4 2576 B15R0.81 CCC(C)COCCCCCCCCCCl 34a_100009868337_100000748023 [1,0,1,0,0,0|2,0,0]=4 2577 B15R0.81 CCC(C)COCCCCCCCCCCl 7a_100009868337_100000748023 [1,0,1,0,0,0|2,0,0]=4 2578 B15R0.81 CCC(C)COCCCCCCCCCN 34a_100000078944_100000748023 [1,0,1,0,0,0|2,0,0]=4 2579 B15R0.81 CCC(C)CSCCCCCCCCCO 62a_100000748023_100009813782 [1,0,1,0,0,0|2,0,0]=4 2580 B15R0.81 CCC(C)CSCCCCCCCCCO 62a_100009813782_100000748023 [1,0,1,0,0,0|2,0,0]=4 2581 B15R0.81 CCCCC#CCCCCCCC(=O)CC 1458a_100000210414_200000043322 [1,0,1,0,0,0|0,0,2]=4 2582 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100000210414_100000759014 [1,0,1,0,0,0|0,0,0]=2 2583 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100011215791_100000210202 [1,0,1,0,0,0|0,0,0]=2 2584 B15R0.81 CCCCCCCCCCCCC(=O)CF 1458a_100011215791_100015361967 [1,0,1,0,0,0|1,0,0]=3 2585 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [1,0,1,0,0,0|1,0,0]=3 2586 B15R0.81 CCCCCCCCCCCCC(=O)NC 11a_106832991635_100011215791 [1,0,1,0,0,0|1,0,0]=3 2587 B15R0.81 CCCCCCCCCCCCC(=O)NC 1626a_100102657272_100011215791 [1,0,1,0,0,0|1,0,0]=3 2588 B15R0.81 CCCCCCCCCCCCC(=O)NC 240690a_100102657272_100011215791 [1,0,1,0,0,0|1,0,0]=3 2589 B15R0.81 CCCCCCCCCCCCC(C)NC 2230a_106832991635_200011217028 [1,0,1,0,0,0|1,0,1]=4 2590 B15R0.81 CCCCCCCCCCCCC(C)NC 270004a_106832991635_100011219199 [1,0,1,0,0,0|1,0,1]=4 2591 B15R0.81 CCCCCCCCCCCCC(C)NC 34a_100102657272_200011217028 [1,0,1,0,0,0|1,0,1]=4 2592 B15R0.81 CCCCCCCCCCCCC(C)NC 7a_106832991635_200011217028 [1,0,1,0,0,0|1,0,1]=4 2593 B15R0.81 CCCCCCCCCCCCC(C)OC 34a_100138415774_200011217028 [1,0,1,0,0,0|1,0,1]=4 2594 B15R0.81 CCCCCCCCCCCCC(C)OC 34a_200011215752_200000210301 [1,0,1,0,0,0|1,0,1]=4 2595 B15R0.81 CCCCCCCCCCCCC(C)OC 7a_200011215752_200000210301 [1,0,1,0,0,0|1,0,1]=4 2596 B15R0.81 CCCCCCCCCCCCC(C)O[13CH3] 34a_200011215752_200025704644 [1,0,1,0,0,0|1,0,1]=4 2597 B15R0.81 CCCCCCCCCCCCC(C)O[13CH3] 7a_200011215752_200025704644 [1,0,1,0,0,0|1,0,1]=4 2598 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000225621_100011215052 [1,0,1,0,0,0|1,0,1]=4 2599 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000227908_100000210202 [1,0,1,0,0,0|1,0,1]=4 2600 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000225621_100000759014 [1,0,1,0,0,0|1,0,1]=4 2601 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000227908_100000204670 [1,0,1,0,0,0|1,0,1]=4 2602 B15R0.81 CCCCCCCCCCCCN(C)CF 269982a_100000227908_100015361967 [1,0,1,0,0,0|2,0,0]=4 2603 B15R0.81 CCCCCCCCCCCNC(=O)CC 11a_200011215754_100000210414 [1,0,1,0,0,0|1,0,0]=3 2604 B15R0.81 CCCCCCCCCCCNC(=O)CC 1626a_200011215754_100000210414 [1,0,1,0,0,0|1,0,0]=3 2605 B15R0.81 CCCCCCCCCCCNC(=O)CC 240690a_200011215754_100000210414 [1,0,1,0,0,0|1,0,0]=3 2606 B15R0.81 CCCCCCCCCCCNC(=O)CC 527a_200011215754_100000210414 [1,0,1,0,0,0|1,0,0]=3 2607 B15R0.81 CCCCCCCCCCCNC(=O)CO 240690a_200011215754_100000210174 [1,0,1,0,0,0|2,0,0]=4 2608 B15R0.81 CCCCCCCCCCCNC(=O)CO 527a_200011215754_100000210174 [1,0,1,0,0,0|2,0,0]=4 2609 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_100102657272_200011215754 [1,0,1,0,0,0|2,0,0]=4 2610 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_200011215754_106832991635 [1,0,1,0,0,0|2,0,0]=4 2611 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_100102657272_200011215754 [1,0,1,0,0,0|2,0,0]=4 2612 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_200011215754_100102657272 [1,0,1,0,0,0|2,0,0]=4 2613 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_106832991638_200011215754 [1,0,1,0,0,0|2,0,0]=4 2614 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_200011215754_100102657272 [1,0,1,0,0,0|2,0,0]=4 2615 B15R0.81 CCCCCCCCCCCNC(C)CC 2230a_100000209981_100011215454 [1,0,1,0,0,0|1,0,1]=4 2616 B15R0.81 CCCCCCCCCCCNC(C)CC 2230a_200011215754_100000758301 [1,0,1,0,0,0|1,0,1]=4 2617 B15R0.81 CCCCCCCCCCCNC(C)CC 34a_200011215754_100011215416 [1,0,1,0,0,0|1,0,1]=4 2618 B15R0.81 CCCCCCCCCCCNC(C)CO 2230a_200011215754_100012180447 [1,0,1,0,0,0|1,0,1]=4 2619 B15R0.81 CCCCCCCCCCCNC(C)CO 34a_200011215754_100012180447 [1,0,1,0,0,0|1,0,1]=4 2620 B15R0.81 CCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215454 [1,0,1,0,0,0|1,0,1]=4 2621 B15R0.81 CCCCCCCCCCCOC(C)CC 34a_100000210809_100011215416 [1,0,1,0,0,0|1,0,1]=4 2622 B15R0.81 CCCCCCCCCCCOC(C)CC 7a_100000210228_100011215454 [1,0,1,0,0,0|1,0,1]=4 2623 B15R0.81 CCCCCCCCCCCOC(C)CC 7a_100000210809_100000758301 [1,0,1,0,0,0|1,0,1]=4 2624 B15R0.81 CCCCCCCCCCCOC(C)CF 34a_100016041109_100011215454 [1,0,1,0,0,0|2,0,0]=4 2625 B15R0.81 CCCCCCCCCCCOC(C)CF 7a_100016041109_100011215454 [1,0,1,0,0,0|2,0,0]=4 2626 B15R0.81 CCCCCCCCCCCOC(C)CN 34a_100000210904_100011215454 [1,0,1,0,0,0|2,0,0]=4 2627 B15R0.81 CCCCCCCCCCCOC(C)CO 34a_100000210809_100012180447 [1,0,1,0,0,0|1,0,1]=4 2628 B15R0.81 CCCCCCCCCCCOC(C)CO 7a_100000210809_100012180447 [1,0,1,0,0,0|1,0,1]=4 2629 B15R0.81 CCCCCCCCCCCSC(C)CO 62a_100012180447_100011215454 [1,0,1,0,0,0|1,0,1]=4 2630 B15R0.81 CCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100011215454 [1,0,1,0,0,0|1,0,1]=4 2631 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000684558_100000183359 [1,0,1,0,0,0|2,0,0]=4 2632 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210320 [1,0,1,0,0,0|2,0,0]=4 2633 B15R0.81 CCCCCCCCCCNCC(=O)NC 34a_100000684558_100000183359 [1,0,1,0,0,0|2,0,0]=4 2634 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [1,0,1,0,0,0|2,0,0]=4 2635 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [1,0,1,0,0,0|2,0,0]=4 2636 B15R0.81 CCCCCCCCCCNCC(C)CC 2230a_100000684558_100000748023 [1,0,1,0,0,0|1,0,0]=3 2637 B15R0.81 CCCCCCCCCCNCC(C)CC 2230a_100020588543_100000210320 [1,0,1,0,0,0|1,0,0]=3 2638 B15R0.81 CCCCCCCCCCNCC(C)CC 270004a_100000684558_100000243153 [1,0,1,0,0,0|1,0,0]=3 2639 B15R0.81 CCCCCCCCCCNCC(C)CC 34a_100000684558_100000748023 [1,0,1,0,0,0|1,0,0]=3 2640 B15R0.81 CCCCCCCCCCNCC(C)CO 34a_100000744482_100000210320 [1,0,1,0,0,0|1,0,1]=4 2641 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100000684558_100011218378 [1,0,1,0,0,0|2,0,0]=4 2642 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100011218483_100000210320 [1,0,1,0,0,0|2,0,0]=4 2643 B15R0.81 CCCCCCCCCCNCC(O)CC 34a_100000684558_100011218378 [1,0,1,0,0,0|2,0,0]=4 2644 B15R0.81 CCCCCCCCCCNC[C@@H](C)CC 2230a_100000684558_100009816398 [1,0,1,0,0,0|1,0,0]=3 2645 B15R0.81 CCCCCCCCCCNC[C@@H](C)CC 34a_100000684558_100009816398 [1,0,1,0,0,0|1,0,0]=3 2646 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 2230a_100000684558_100000059175 [1,0,1,0,0,0|1,0,1]=4 2647 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 34a_100000684558_100000059175 [1,0,1,0,0,0|1,0,1]=4 2648 B15R0.81 CCCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210320 [1,0,1,0,0,0|2,0,0]=4 2649 B15R0.81 CCCCCCCCCCOCC(=O)CC 34a_100000725409_100000210320 [1,0,1,0,0,0|1,0,0]=3 2650 B15R0.81 CCCCCCCCCCOCC(=O)CC 7a_100000210711_100000747405 [1,0,1,0,0,0|1,0,0]=3 2651 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000210711_100000183359 [1,0,1,0,0,0|2,0,0]=4 2652 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210320 [1,0,1,0,0,0|2,0,0]=4 2653 B15R0.81 CCCCCCCCCCOCC(=O)NC 7a_100000210711_100000183359 [1,0,1,0,0,0|2,0,0]=4 2654 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [1,0,1,0,0,0|2,0,0]=4 2655 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [1,0,1,0,0,0|2,0,0]=4 2656 B15R0.81 CCCCCCCCCCOCC(C)CC 34a_100000210711_100000748023 [1,0,1,0,0,0|1,0,0]=3 2657 B15R0.81 CCCCCCCCCCOCC(C)CC 7a_100000210711_100000748023 [1,0,1,0,0,0|1,0,0]=3 2658 B15R0.81 CCCCCCCCCCOCC(C)CN 34a_100000744482_100000210320 [1,0,1,0,0,0|2,0,0]=4 2659 B15R0.81 CCCCCCCCCCOCC(C)OC 34a_100000690652_100000210320 [1,0,1,0,0,0|2,0,0]=4 2660 B15R0.81 CCCCCCCCCCOCC(O)CC 34a_100000210711_100011218378 [1,0,1,0,0,0|2,0,0]=4 2661 B15R0.81 CCCCCCCCCCOCC(O)CC 7a_100000210711_100011218378 [1,0,1,0,0,0|2,0,0]=4 2662 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 34a_100000210711_100009816398 [1,0,1,0,0,0|1,0,0]=3 2663 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 7a_100000210711_100009816398 [1,0,1,0,0,0|1,0,0]=3 2664 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210320 [1,0,1,0,0,0|1,0,0]=3 2665 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 34a_100000210711_100000059175 [1,0,1,0,0,0|1,0,1]=4 2666 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 7a_100000210711_100000059175 [1,0,1,0,0,0|1,0,1]=4 2667 B15R0.81 CCCCCCCCCCSCC(=O)CC 62a_100000747405_100000210320 [1,0,1,0,0,0|1,0,0]=3 2668 B15R0.81 CCCCCCCCCCSCC(=O)NC 62a_100000183359_100000210320 [1,0,1,0,0,0|2,0,0]=4 2669 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [1,0,1,0,0,0|2,0,0]=4 2670 B15R0.81 CCCCCCCCCCSCC(C)CC 62a_100000748023_100000210320 [1,0,1,0,0,0|1,0,0]=3 2671 B15R0.81 CCCCCCCCCCSCC(O)CC 62a_100011218378_100000210320 [1,0,1,0,0,0|2,0,0]=4 2672 B15R0.81 CCCCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210320 [1,0,1,0,0,0|1,0,0]=3 2673 B15R0.81 CCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210320 [1,0,1,0,0,0|1,0,1]=4 2674 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000212291_100000737683 [1,0,1,0,0,0|2,0,0]=4 2675 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011214924 [1,0,1,0,0,0|2,0,0]=4 2676 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000212291_100012179268 [1,0,1,0,0,0|2,0,0]=4 2677 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000738227_100011214924 [1,0,1,0,0,0|2,0,0]=4 2678 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [1,0,1,0,0,0|2,0,0]=4 2679 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [1,0,1,0,0,0|2,0,0]=4 2680 B15R0.81 CCCCCCCCCNCCC(C)CC 2230a_100020591266_100011214924 [1,0,1,0,0,0|1,0,1]=4 2681 B15R0.81 CCCCCCCCCNCCC(C)CO 2230a_106354213184_100011214924 [1,0,1,0,0,0|1,0,1]=4 2682 B15R0.81 CCCCCCCCCNCCC(C)CO 34a_106354213184_100011214924 [1,0,1,0,0,0|1,0,1]=4 2683 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000210712_100012179268 [1,0,1,0,0,0|2,0,0]=4 2684 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000754576_100011214924 [1,0,1,0,0,0|2,0,0]=4 2685 B15R0.81 CCCCCCCCCOCCC(=O)NC 7a_100000210712_100000737683 [1,0,1,0,0,0|2,0,0]=4 2686 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [1,0,1,0,0,0|2,0,0]=4 2687 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [1,0,1,0,0,0|2,0,0]=4 2688 B15R0.81 CCCCCCCCCOCCC(C)CC 7a_100011215188_100000210328 [1,0,1,0,0,0|1,0,1]=4 2689 B15R0.81 CCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210670 [1,0,1,0,0,0|2,0,0]=4 2690 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [1,0,1,0,0,0|2,0,0]=4 2691 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000229939_100000741757 [1,0,1,0,0,0|2,0,0]=4 2692 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210759 [1,0,1,0,0,0|2,0,0]=4 2693 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000229939_100000741757 [1,0,1,0,0,0|2,0,0]=4 2694 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210759 [1,0,1,0,0,0|2,0,0]=4 2695 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [1,0,1,0,0,0|2,0,0]=4 2696 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [1,0,1,0,0,0|2,0,0]=4 2697 B15R0.81 CCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210759 [1,0,1,0,0,0|2,0,0]=4 2698 B15R0.81 CCCCCCCCOCCCC(=O)NC 34a_100000210232_100000741757 [1,0,1,0,0,0|2,0,0]=4 2699 B15R0.81 CCCCCCCCOCCCC(=O)NC 7a_100000210232_100000741757 [1,0,1,0,0,0|2,0,0]=4 2700 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [1,0,1,0,0,0|2,0,0]=4 2701 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [1,0,1,0,0,0|2,0,0]=4 2702 B15R0.81 CCCCCCCCOCCCC(C)CC 7a_100011216074_100000210759 [1,0,1,0,0,0|1,0,1]=4 2703 B15R0.81 CCCCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000210759 [1,0,1,0,0,0|2,0,0]=4 2704 B15R0.81 CCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210759 [1,0,1,0,0,0|2,0,0]=4 2705 B15R0.81 CCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210759 [1,0,1,0,0,0|2,0,0]=4 2706 B15R0.81 CCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210759 [1,0,1,0,0,0|2,0,0]=4 2707 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000210759_100000741757 [1,0,1,0,0,0|2,0,0]=4 2708 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210317 [1,0,1,0,0,0|2,0,0]=4 2709 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [1,0,1,0,0,0|2,0,0]=4 2710 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [1,0,1,0,0,0|2,0,0]=4 2711 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [1,0,1,0,0,0|2,0,0]=4 2712 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [1,0,1,0,0,0|2,0,0]=4 2713 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [1,0,1,0,0,0|2,0,0]=4 2714 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [1,0,1,0,0,0|2,0,0]=4 2715 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [1,0,1,0,0,0|2,0,0]=4 2716 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [1,0,1,0,0,0|2,0,0]=4 2717 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [1,0,1,0,0,0|2,0,0]=4 2718 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [1,0,1,0,0,0|2,0,0]=4 2719 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [1,0,1,0,0,0|2,0,0]=4 2720 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [1,0,1,0,0,0|2,0,0]=4 2721 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [1,0,1,0,0,0|2,0,0]=4 2722 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [1,0,1,0,0,0|2,0,0]=4 2723 B15R0.81 CCCCCCOCCCCCC(C)CC 7a_200000035636_100000210314 [1,0,1,0,0,0|1,0,1]=4 2724 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [1,0,1,0,0,0|2,0,0]=4 2725 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [1,0,1,0,0,0|2,0,0]=4 2726 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [1,0,1,0,0,0|2,0,0]=4 2727 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [1,0,1,0,0,0|2,0,0]=4 2728 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [1,0,1,0,0,0|2,0,0]=4 2729 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [1,0,1,0,0,0|2,0,0]=4 2730 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [1,0,1,0,0,0|2,0,0]=4 2731 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [1,0,1,0,0,0|2,0,0]=4 2732 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [1,0,1,0,0,0|2,0,0]=4 2733 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [1,0,1,0,0,0|2,0,0]=4 2734 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [1,0,1,0,0,0|2,0,0]=4 2735 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [1,0,1,0,0,0|2,0,0]=4 2736 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [1,0,1,0,0,0|2,0,0]=4 2737 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [1,0,1,0,0,0|2,0,0]=4 2738 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [1,0,1,0,0,0|2,0,0]=4 2739 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [1,0,1,0,0,0|2,0,0]=4 2740 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [1,0,1,0,0,0|2,0,0]=4 2741 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [1,0,1,0,0,0|2,0,0]=4 2742 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [1,0,1,0,0,0|2,0,0]=4 2743 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [1,0,1,0,0,0|2,0,0]=4 2744 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [1,0,1,0,0,0|2,0,0]=4 2745 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [1,0,1,0,0,0|2,0,0]=4 2746 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [1,0,1,0,0,0|2,0,0]=4 2747 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [1,0,1,0,0,0|2,0,0]=4 2748 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [1,0,1,0,0,0|2,0,0]=4 2749 B15R0.81 CC[C@H](C)CNCCCCCCCCCO 2230a_100000078944_100009816398 [1,0,1,0,0,0|2,0,0]=4 2750 B15R0.81 CC[C@H](C)CNCCCCCCCCCO 34a_100000078944_100009816398 [1,0,1,0,0,0|2,0,0]=4 2751 B15R0.81 CC[C@H](C)COCCCCCCCCCBr 34a_100009813782_100009816398 [1,0,1,0,0,0|2,0,0]=4 2752 B15R0.81 CC[C@H](C)COCCCCCCCCCBr 7a_100009813782_100009816398 [1,0,1,0,0,0|2,0,0]=4 2753 B15R0.81 CC[C@H](C)COCCCCCCCCCCl 34a_100009868337_100009816398 [1,0,1,0,0,0|2,0,0]=4 2754 B15R0.81 CC[C@H](C)COCCCCCCCCCCl 7a_100009868337_100009816398 [1,0,1,0,0,0|2,0,0]=4 2755 B15R0.81 CC[C@H](C)COCCCCCCCCCN 34a_100000078944_100009816398 [1,0,1,0,0,0|2,0,0]=4 2756 B15R0.81 CC[C@H](C)COCCCCCCCCCO 7a_100009816381_100009813782 [1,0,1,0,0,0|2,0,0]=4 2757 B15R0.81 CC[C@H](C)CSCCCCCCCCCO 62a_100009813782_100009816398 [1,0,1,0,0,0|2,0,0]=4 2758 B15R0.81 CC[C@H](C)CSCCCCCCCCCO 62a_100009816398_100009813782 [1,0,1,0,0,0|2,0,0]=4 2759 B15R0.81 CNC(=O)CCCCCCCCCCCO 240690a_100102657272_100000037981 [1,0,1,0,0,0|2,0,0]=4 2760 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [1,0,1,0,0,0|2,0,0]=4 2761 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [1,0,1,0,0,0|2,0,0]=4 2762 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [1,0,1,0,0,0|2,0,0]=4 2763 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [1,0,1,0,0,0|2,0,0]=4 2764 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [1,0,1,0,0,0|2,0,0]=4 2765 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [1,0,1,0,0,0|2,0,0]=4 2766 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [1,0,1,0,0,0|2,0,0]=4 2767 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [1,0,1,0,0,0|2,0,0]=4 2768 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [1,0,1,0,0,0|2,0,0]=4 2769 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [1,0,1,0,0,0|2,0,0]=4 2770 B15R0.81 O=C(CO)CCCCCCCCCCCO 1458a_100000210174_100009812471 [1,0,1,0,0,0|2,0,0]=4 2771 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000184674 [1,0,1,0,0,0|0,0,2]=4 2772 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100011220946_100011215454 [1,0,1,0,0,0|0,0,2]=4 2773 B15R0.366 C/C=C/C(C)OCCCCCCCCCC 34a_200102604097_100000210320 [1,0,1,0,0,0|1,0,1]=4 2774 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210193_100011215454 [1,0,1,0,0,0|0,0,2]=4 2775 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000210623 [1,0,1,0,0,0|0,0,2]=4 2776 B15R0.366 C=CCC(C)COCCCCCCCCC 34a_100009832082_100011214924 [1,0,1,0,0,0|1,0,1]=4 2777 B15R0.366 C=CCC(C)COCCCCCCCCC 7a_100009832082_100000210328 [1,0,1,0,0,0|1,0,1]=4 2778 B15R0.366 C=CCCCCCCCCCC(=O)CCC 1458a_100000211992_100009814027 [1,0,1,0,0,0|0,0,2]=4 2779 B15R0.366 C=CCN(C)CCCCCCCCCCC 2230a_100000225617_100011215454 [1,0,1,0,0,0|1,0,1]=4 2780 B15R0.366 C=CCN(C)CCCCCCCCCCC 269982a_100000225617_100011215454 [1,0,1,0,0,0|1,0,1]=4 2781 B15R0.366 C=CC[C@@H](C)OCCCCCCCCCC 34a_100000731007_100000210320 [1,0,1,0,0,0|1,0,1]=4 2782 B15R0.366 C=CC[C@@H](C)OCCCCCCCCCC 7a_100000731007_100000210320 [1,0,1,0,0,0|1,0,1]=4 2783 B15R0.366 CC#CC(=O)CCCCCCCCCCC 1458a_100000763181_100011215454 [1,0,1,0,0,0|0,0,2]=4 2784 B15R0.366 CC=CC(=O)CCCCCCCCCCC 1458a_100000210699_100011215454 [1,0,1,0,0,0|0,0,2]=4 2785 B15R0.366 CCCC(=O)CCCCCCCCCCO 1458a_100000211992_100009813290 [1,0,1,0,0,0|1,0,0]=3 2786 B15R0.366 CCCC(=O)CNCCCCCCCCO 2230a_102515433106_100000747444 [1,0,1,0,0,0|2,0,0]=4 2787 B15R0.366 CCCC(=O)COCCCCCCCCBr 7a_100009813846_100000747444 [1,0,1,0,0,0|2,0,0]=4 2788 B15R0.366 CCCC(=O)COCCCCCCCCCl 7a_100000033203_100000747444 [1,0,1,0,0,0|2,0,0]=4 2789 B15R0.366 CCCC(=O)CSCCCCCCCCO 62a_100000033203_100000747444 [1,0,1,0,0,0|2,0,0]=4 2790 B15R0.366 CCCC(=O)CSCCCCCCCCO 62a_100000747444_100000033203 [1,0,1,0,0,0|2,0,0]=4 2791 B15R0.366 CCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000211992 [1,0,1,0,0,0|2,0,0]=4 2792 B15R0.366 CCCC(C)CNCCCCCCCCO 2230a_102515433106_100011216630 [1,0,1,0,0,0|2,0,0]=4 2793 B15R0.366 CCCC(C)CNCCCCCCCCO 270004a_102515433106_100000243154 [1,0,1,0,0,0|2,0,0]=4 2794 B15R0.366 CCCC(C)CNCCCCCCCCO 34a_102515433106_100011216630 [1,0,1,0,0,0|2,0,0]=4 2795 B15R0.366 CCCC(C)COCCCCCCCCBr 34a_100009813846_100011216630 [1,0,1,0,0,0|2,0,0]=4 2796 B15R0.366 CCCC(C)COCCCCCCCCBr 7a_100009813846_100011216630 [1,0,1,0,0,0|2,0,0]=4 2797 B15R0.366 CCCC(C)COCCCCCCCCCl 34a_100000033203_100011216630 [1,0,1,0,0,0|2,0,0]=4 2798 B15R0.366 CCCC(C)COCCCCCCCCCl 7a_100000033203_100011216630 [1,0,1,0,0,0|2,0,0]=4 2799 B15R0.366 CCCC(C)COCCCCCCCCN 34a_102515433106_100011216630 [1,0,1,0,0,0|2,0,0]=4 2800 B15R0.366 CCCC(C)COCCCCCCCCO 34a_100000688023_100000033203 [1,0,1,0,0,0|2,0,0]=4 2801 B15R0.366 CCCC(C)COCCCCCCCCO 7a_100000688023_100000033203 [1,0,1,0,0,0|2,0,0]=4 2802 B15R0.366 CCCC(C)CSCCCCCCCCO 62a_100000033203_100011216630 [1,0,1,0,0,0|2,0,0]=4 2803 B15R0.366 CCCC(C)CSCCCCCCCCO 62a_100011216630_100000033203 [1,0,1,0,0,0|2,0,0]=4 2804 B15R0.366 CCCCCCCCCC=CC(=O)CCC 1458a_200015352897_100000210303 [1,0,1,0,0,0|0,0,2]=4 2805 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100000210736_100011214920 [1,0,1,0,0,0|1,0,1]=4 2806 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100011215454 [1,0,1,0,0,0|1,0,1]=4 2807 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000210736_100000210303 [1,0,1,0,0,0|0,0,0]=2 2808 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011215454 [1,0,1,0,0,0|0,0,0]=2 2809 B15R0.366 CCCCCCCCCCCC(=O)CCF 1458a_100000210736_100011217306 [1,0,1,0,0,0|1,0,0]=3 2810 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100000210736_100000211926 [1,0,1,0,0,0|1,0,0]=3 2811 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011215454 [1,0,1,0,0,0|1,0,0]=3 2812 B15R0.366 CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011215454 [1,0,1,0,0,0|1,0,0]=3 2813 B15R0.366 CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011215454 [1,0,1,0,0,0|1,0,0]=3 2814 B15R0.366 CCCCCCCCCCCC(=O)NCC 11a_100015525214_100000210736 [1,0,1,0,0,0|1,0,0]=3 2815 B15R0.366 CCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210736 [1,0,1,0,0,0|1,0,0]=3 2816 B15R0.366 CCCCCCCCCCCC(=O)NNC 22a_100016993582_100000210736 [1,0,1,0,0,0|2,0,0]=4 2817 B15R0.366 CCCCCCCCCCCC(C)NCC 270004a_100015525214_100011216755 [1,0,1,0,0,0|1,0,1]=4 2818 B15R0.366 CCCCCCCCCCCC(C)OCC 34a_100011217895_100000210202 [1,0,1,0,0,0|1,0,1]=4 2819 B15R0.366 CCCCCCCCCCCC(C)OCC 7a_100011217895_100000210202 [1,0,1,0,0,0|1,0,1]=4 2820 B15R0.366 CCCCCCCCCCCN(C)CCC 2230a_100000747261_100011215454 [1,0,1,0,0,0|1,0,1]=4 2821 B15R0.366 CCCCCCCCCCCN(C)CCC 269982a_100000747261_100011215454 [1,0,1,0,0,0|1,0,1]=4 2822 B15R0.366 CCCCCCCCCCNC(=O)CCC 11a_100000684558_100000211992 [1,0,1,0,0,0|1,0,0]=3 2823 B15R0.366 CCCCCCCCCCNC(=O)CCC 1626a_100000684558_100000211992 [1,0,1,0,0,0|1,0,0]=3 2824 B15R0.366 CCCCCCCCCCNC(=O)CCC 240690a_100000684558_100000211992 [1,0,1,0,0,0|1,0,0]=3 2825 B15R0.366 CCCCCCCCCCNC(=O)CCC 527a_100000684558_100000211992 [1,0,1,0,0,0|1,0,0]=3 2826 B15R0.366 CCCCCCCCCCNC(=O)CCO 240690a_100000684558_100011216618 [1,0,1,0,0,0|2,0,0]=4 2827 B15R0.366 CCCCCCCCCCNC(=O)COC 11a_100000684558_100000210968 [1,0,1,0,0,0|2,0,0]=4 2828 B15R0.366 CCCCCCCCCCNC(=O)COC 1626a_100000684558_100000210968 [1,0,1,0,0,0|2,0,0]=4 2829 B15R0.366 CCCCCCCCCCNC(=O)COC 240690a_100000684558_100000210968 [1,0,1,0,0,0|2,0,0]=4 2830 B15R0.366 CCCCCCCCCCNC(=O)COC 527a_100000684558_100000210968 [1,0,1,0,0,0|2,0,0]=4 2831 B15R0.366 CCCCCCCCCCNC(=O)CSC 11a_100000684558_100000184570 [1,0,1,0,0,0|2,0,0]=4 2832 B15R0.366 CCCCCCCCCCNC(=O)CSC 1626a_100000684558_100000184570 [1,0,1,0,0,0|2,0,0]=4 2833 B15R0.366 CCCCCCCCCCNC(=O)CSC 240690a_100000684558_100000184570 [1,0,1,0,0,0|2,0,0]=4 2834 B15R0.366 CCCCCCCCCCNC(=O)CSC 527a_100000684558_100000184570 [1,0,1,0,0,0|2,0,0]=4 2835 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100000684558_100015525214 [1,0,1,0,0,0|2,0,0]=4 2836 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000684558 [1,0,1,0,0,0|2,0,0]=4 2837 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100000684558_100015525214 [1,0,1,0,0,0|2,0,0]=4 2838 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000684558 [1,0,1,0,0,0|2,0,0]=4 2839 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100000684558_100015525214 [1,0,1,0,0,0|2,0,0]=4 2840 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100015525214_100000684558 [1,0,1,0,0,0|2,0,0]=4 2841 B15R0.366 CCCCCCCCCCNC(C)CCC 2230a_100000684558_100000766640 [1,0,1,0,0,0|1,0,1]=4 2842 B15R0.366 CCCCCCCCCCNC(C)CCC 2230a_100000741246_100000210320 [1,0,1,0,0,0|1,0,1]=4 2843 B15R0.366 CCCCCCCCCCNC(C)CCC 270004a_100000684558_100000211909 [1,0,1,0,0,0|1,0,1]=4 2844 B15R0.366 CCCCCCCCCCNC(C)CCC 34a_100000684558_100000766640 [1,0,1,0,0,0|1,0,1]=4 2845 B15R0.366 CCCCCCCCCCNC(C)COC 2230a_100000684558_100000765312 [1,0,1,0,0,0|2,0,0]=4 2846 B15R0.366 CCCCCCCCCCNC(C)COC 270004a_100000684558_100000749346 [1,0,1,0,0,0|2,0,0]=4 2847 B15R0.366 CCCCCCCCCCNC(C)COC 34a_100000684558_100000765312 [1,0,1,0,0,0|2,0,0]=4 2848 B15R0.366 CCCCCCCCCCNC(C)CSC 270004a_100000684558_100011216314 [1,0,1,0,0,0|2,0,0]=4 2849 B15R0.366 CCCCCCCCCCN[C@H](C)COC 2230a_100000764878_100000210320 [1,0,1,0,0,0|2,0,0]=4 2850 B15R0.366 CCCCCCCCCCOC(=O)CNC 2230a_106832991635_100000210668 [1,0,1,0,0,0|2,0,0]=4 2851 B15R0.366 CCCCCCCCCCOC(=O)CNC 34a_100102657272_100000210668 [1,0,1,0,0,0|2,0,0]=4 2852 B15R0.366 CCCCCCCCCCOC(=O)CNC 7a_106832991635_100000210668 [1,0,1,0,0,0|2,0,0]=4 2853 B15R0.366 CCCCCCCCCCOC(=O)COC 34a_100138415774_100000210668 [1,0,1,0,0,0|2,0,0]=4 2854 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_100000680656_200000210301 [1,0,1,0,0,0|2,0,0]=4 2855 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_200000210301_100000680656 [1,0,1,0,0,0|2,0,0]=4 2856 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_100000680656_200025704644 [1,0,1,0,0,0|2,0,0]=4 2857 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_200025704644_100000680656 [1,0,1,0,0,0|2,0,0]=4 2858 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000210711_100000766640 [1,0,1,0,0,0|1,0,1]=4 2859 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000764384_100000210320 [1,0,1,0,0,0|1,0,1]=4 2860 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000210711_100000766640 [1,0,1,0,0,0|1,0,1]=4 2861 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000764384_100000210320 [1,0,1,0,0,0|1,0,1]=4 2862 B15R0.366 CCCCCCCCCCOC(C)COC 34a_100000210711_100000765312 [1,0,1,0,0,0|2,0,0]=4 2863 B15R0.366 CCCCCCCCCCOC(C)COC 7a_100000210711_100000765312 [1,0,1,0,0,0|2,0,0]=4 2864 B15R0.366 CCCCCCCCCCO[C@H](C)COC 34a_100011934205_100000210320 [1,0,1,0,0,0|2,0,0]=4 2865 B15R0.366 CCCCCCCCCCSC(C)COC 62a_100000765312_100000210320 [1,0,1,0,0,0|2,0,0]=4 2866 B15R0.366 CCCCCCCCCNCC(=O)CCC 2230a_100000212291_100000747444 [1,0,1,0,0,0|1,0,0]=3 2867 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100000212291_100000183381 [1,0,1,0,0,0|2,0,0]=4 2868 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011214924 [1,0,1,0,0,0|2,0,0]=4 2869 B15R0.366 CCCCCCCCCNCC(=O)NCC 34a_100000212291_100000183381 [1,0,1,0,0,0|2,0,0]=4 2870 B15R0.366 CCCCCCCCCNCC(=O)OCC 2230a_100000212291_100000188475 [1,0,1,0,0,0|2,0,0]=4 2871 B15R0.366 CCCCCCCCCNCC(=O)OCC 34a_100000212291_100000188475 [1,0,1,0,0,0|2,0,0]=4 2872 B15R0.366 CCCCCCCCCNCC(C)CCC 2230a_100000212291_100011216630 [1,0,1,0,0,0|1,0,0]=3 2873 B15R0.366 CCCCCCCCCNCC(C)CCC 270004a_100000212291_100000243154 [1,0,1,0,0,0|1,0,0]=3 2874 B15R0.366 CCCCCCCCCNCC(C)CCC 34a_100000212291_100011216630 [1,0,1,0,0,0|1,0,0]=3 2875 B15R0.366 CCCCCCCCCOCC(=O)CCC 7a_100000210712_100000747444 [1,0,1,0,0,0|1,0,0]=3 2876 B15R0.366 CCCCCCCCCOCC(=O)NCC 34a_100000210712_100000183381 [1,0,1,0,0,0|2,0,0]=4 2877 B15R0.366 CCCCCCCCCOCC(=O)NCC 7a_100000210712_100000183381 [1,0,1,0,0,0|2,0,0]=4 2878 B15R0.366 CCCCCCCCCOCC(=O)OCC 34a_100000210712_100000188475 [1,0,1,0,0,0|2,0,0]=4 2879 B15R0.366 CCCCCCCCCOCC(=O)OCC 7a_100000210712_100000188475 [1,0,1,0,0,0|2,0,0]=4 2880 B15R0.366 CCCCCCCCCOCC(C)CCC 34a_100000210712_100011216630 [1,0,1,0,0,0|1,0,0]=3 2881 B15R0.366 CCCCCCCCCOCC(C)CCC 34a_100000688023_100011214924 [1,0,1,0,0,0|1,0,0]=3 2882 B15R0.366 CCCCCCCCCOCC(C)CCC 7a_100000210712_100011216630 [1,0,1,0,0,0|1,0,0]=3 2883 B15R0.366 CCCCCCCCCOCC(C)CCC 7a_100000688023_100000210328 [1,0,1,0,0,0|1,0,0]=3 2884 B15R0.366 CCCCCCCCCOCC(C)CCN 34a_106354213184_100011214924 [1,0,1,0,0,0|2,0,0]=4 2885 B15R0.366 CCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011214924 [1,0,1,0,0,0|2,0,0]=4 2886 B15R0.366 CCCCCCCCCSCC(=O)CCC 62a_100000747444_100000210670 [1,0,1,0,0,0|1,0,0]=3 2887 B15R0.366 CCCCCCCCCSCC(=O)NCC 62a_100000183381_100000210670 [1,0,1,0,0,0|2,0,0]=4 2888 B15R0.366 CCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210670 [1,0,1,0,0,0|2,0,0]=4 2889 B15R0.366 CCCCCCCCCSCC(C)CCC 62a_100011216630_100000210670 [1,0,1,0,0,0|1,0,0]=3 2890 B15R0.366 CCCCCCCCNCCC(=O)NCC 2230a_100000229939_100000737597 [1,0,1,0,0,0|2,0,0]=4 2891 B15R0.366 CCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210759 [1,0,1,0,0,0|2,0,0]=4 2892 B15R0.366 CCCCCCCCNCCC(=O)OCC 2230a_100000229939_100011206558 [1,0,1,0,0,0|2,0,0]=4 2893 B15R0.366 CCCCCCCCNCCC(=O)OCC 34a_100000229939_100000765890 [1,0,1,0,0,0|2,0,0]=4 2894 B15R0.366 CCCCCCCCNCOC(=O)CCC 2230a_100000229939_100000034017 [1,0,1,0,0,0|2,0,0]=4 2895 B15R0.366 CCCCCCCCNCOC(=O)CCC 34a_100000229939_100000034017 [1,0,1,0,0,0|2,0,0]=4 2896 B15R0.366 CCCCCCCCOCCC(=O)NCC 7a_100000210232_100000737597 [1,0,1,0,0,0|2,0,0]=4 2897 B15R0.366 CCCCCCCCOCCC(=O)OCC 34a_100000210232_100000765890 [1,0,1,0,0,0|2,0,0]=4 2898 B15R0.366 CCCCCCCCOCCC(=O)OCC 7a_100000210232_100011206558 [1,0,1,0,0,0|2,0,0]=4 2899 B15R0.366 CCCCCCCCOCCC(C)CCC 34a_100011217855_100000210759 [1,0,1,0,0,0|1,0,1]=4 2900 B15R0.366 CCCCCCCCOCCC(C)CCC 7a_100011217855_100000210759 [1,0,1,0,0,0|1,0,1]=4 2901 B15R0.366 CCCCCCCCOCOC(=O)CCC 34a_100000210232_100000034017 [1,0,1,0,0,0|2,0,0]=4 2902 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000210759_100000737597 [1,0,1,0,0,0|2,0,0]=4 2903 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210317 [1,0,1,0,0,0|2,0,0]=4 2904 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000210759_100000765890 [1,0,1,0,0,0|2,0,0]=4 2905 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210317 [1,0,1,0,0,0|2,0,0]=4 2906 B15R0.366 CCCCCCCCSCOC(=O)CCC 62a_100000210759_100000034017 [1,0,1,0,0,0|2,0,0]=4 2907 B15R0.366 CCCCCCCNCCCC(=O)OCC 2230a_100000229938_100009991533 [1,0,1,0,0,0|2,0,0]=4 2908 B15R0.366 CCCCCCCOCCCC(=O)OCC 34a_100000210272_100009991533 [1,0,1,0,0,0|2,0,0]=4 2909 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100000210272_100011215271 [1,0,1,0,0,0|2,0,0]=4 2910 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210614 [1,0,1,0,0,0|2,0,0]=4 2911 B15R0.366 CCCCCCCOCCCC(C)CCC 34a_100011713154_100000210614 [1,0,1,0,0,0|1,0,1]=4 2912 B15R0.366 CCCCCCCOCCCC(C)CCC 7a_100011713154_100000210614 [1,0,1,0,0,0|1,0,1]=4 2913 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100000210614_100009991533 [1,0,1,0,0,0|2,0,0]=4 2914 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210316 [1,0,1,0,0,0|2,0,0]=4 2915 B15R0.366 CCCCCCNCCCCC(=O)OCC 2230a_100000210581_100000750268 [1,0,1,0,0,0|2,0,0]=4 2916 B15R0.366 CCCCCCOCCCCC(=O)OCC 34a_100000210259_100000750268 [1,0,1,0,0,0|2,0,0]=4 2917 B15R0.366 CCCCCCOCCCCC(=O)OCC 7a_100000210259_100000750268 [1,0,1,0,0,0|2,0,0]=4 2918 B15R0.366 CCCCCCOCCOCC(=O)CCC 7a_100000691444_100000747444 [1,0,1,0,0,0|2,0,0]=4 2919 B15R0.366 CCCCCCOCCOCC(C)CCC 34a_100000691444_100011216630 [1,0,1,0,0,0|2,0,0]=4 2920 B15R0.366 CCCCCCOCCOCC(C)CCC 7a_100000691444_100011216630 [1,0,1,0,0,0|2,0,0]=4 2921 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000210314_100000750268 [1,0,1,0,0,0|2,0,0]=4 2922 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210757 [1,0,1,0,0,0|2,0,0]=4 2923 B15R0.366 CCCCCNCCCCCC(=O)OCC 2230a_100000209983_100000755133 [1,0,1,0,0,0|2,0,0]=4 2924 B15R0.366 CCCCCOCCCCCC(=O)OCC 34a_100000210253_100000755133 [1,0,1,0,0,0|2,0,0]=4 2925 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100000210253_100000755133 [1,0,1,0,0,0|2,0,0]=4 2926 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210326 [1,0,1,0,0,0|2,0,0]=4 2927 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000210326_100000755133 [1,0,1,0,0,0|2,0,0]=4 2928 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210326 [1,0,1,0,0,0|2,0,0]=4 2929 B15R0.366 CCCCNCCCCCCC(=O)OCC 2230a_100000102301_100009814379 [1,0,1,0,0,0|2,0,0]=4 2930 B15R0.366 CCCCNCCCCCCC(=O)OCC 7a_106832991798_100009814379 [1,0,1,0,0,0|2,0,0]=4 2931 B15R0.366 CCCCNCCCCOCC(C)CCC 34a_200011216965_100011216630 [1,0,1,0,0,0|2,0,0]=4 2932 B15R0.366 CCCCOCCCCCCC(=O)OCC 34a_100000210227_100009814379 [1,0,1,0,0,0|2,0,0]=4 2933 B15R0.366 CCCCOCCCCCCC(=O)OCC 7a_100000210227_100009814379 [1,0,1,0,0,0|2,0,0]=4 2934 B15R0.366 CCCCOCCCCOCC(=O)CCC 7a_200000760531_100000747444 [1,0,1,0,0,0|2,0,0]=4 2935 B15R0.366 CCCCOCCCCOCC(C)CCC 34a_200000760531_100011216630 [1,0,1,0,0,0|2,0,0]=4 2936 B15R0.366 CCCCOCCCCOCC(C)CCC 7a_200000760531_100011216630 [1,0,1,0,0,0|2,0,0]=4 2937 B15R0.366 CCCCSCCCCCCC(=O)OCC 62a_100000210211_100009814379 [1,0,1,0,0,0|2,0,0]=4 2938 B15R0.366 CCCOCCCCCCCC(=O)OCC 34a_100000210258_100009991516 [1,0,1,0,0,0|2,0,0]=4 2939 B15R0.366 CCCSCCCCCCCC(=O)OCC 62a_100000210303_100009991516 [1,0,1,0,0,0|2,0,0]=4 2940 B15R0.366 CCNC(=O)CCCCCCCCCCO 240690a_100015525214_200000016029 [1,0,1,0,0,0|2,0,0]=4 2941 B15R0.366 CCNCCCCCCCCC(=O)OCC 2230a_100015525214_100010175975 [1,0,1,0,0,0|2,0,0]=4 2942 B15R0.366 CCOC(=O)CCCCCCCCCNC 2230a_106832991635_100009828014 [1,0,1,0,0,0|2,0,0]=4 2943 B15R0.366 CCOC(=O)CCCCCCCCCNC 34a_100102657272_100009828014 [1,0,1,0,0,0|2,0,0]=4 2944 B15R0.366 CCOC(=O)CCCCCCCCCNC 7a_106832991635_100009828014 [1,0,1,0,0,0|2,0,0]=4 2945 B15R0.366 CCOC(=O)CCCCCCCCCOC 34a_100138415774_100009828014 [1,0,1,0,0,0|2,0,0]=4 2946 B15R0.366 CCOC(=O)CCCCCCCCCSC 62a_200000210301_100009828014 [1,0,1,0,0,0|2,0,0]=4 2947 B15R0.366 CCOC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009828014 [1,0,1,0,0,0|2,0,0]=4 2948 B15R0.366 CCOC(=O)CCCCCCCCSCC 62a_100000210202_100010175975 [1,0,1,0,0,0|2,0,0]=4 2949 B15R0.366 CCOCCCCCCCCC(=O)OCC 34a_100121572206_100010175975 [1,0,1,0,0,0|2,0,0]=4 2950 B15R0.366 COCC(=O)CCCCCCCCCCO 1458a_100000210968_100009813290 [1,0,1,0,0,0|2,0,0]=4 2951 B15R0.366 CSCC(=O)CCCCCCCCCCO 1458a_100000184570_100009813290 [1,0,1,0,0,0|2,0,0]=4 2952 B15R0.366 O=C(CCO)CCCCCCCCCCO 1458a_100011216618_100009813290 [1,0,1,0,0,0|2,0,0]=4 2953 B15R0.322 C#CCCCC(=O)CCCCCCCCC 1458a_100000210558_100000731252 [1,0,1,0,0,0|0,0,2]=4 2954 B15R0.322 C#CCCCC(=O)CCCCCCCCC 1458a_100000690238_100000210670 [1,0,1,0,0,0|0,0,2]=4 2955 B15R0.322 C#CCCCCCCCC(=O)CCCCC 1458a_100000087357_100000210326 [1,0,1,0,0,0|0,0,2]=4 2956 B15R0.322 C#CCCCCCCCC(=O)CCCCC 1458a_100000212188_100153394163 [1,0,1,0,0,0|0,0,2]=4 2957 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000210558_100000757094 [1,0,1,0,0,0|0,0,2]=4 2958 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000766728_100000210670 [1,0,1,0,0,0|0,0,2]=4 2959 B15R0.322 C=CCCCCCCCC(=O)CCCCC 1458a_100000212188_100012355270 [1,0,1,0,0,0|0,0,2]=4 2960 B15R0.322 C=CCCCCCCCC(=O)CCCCC 1458a_100011216160_100000210326 [1,0,1,0,0,0|0,0,2]=4 2961 B15R0.322 CC/C=C/CC(=O)CCCCCCCCC 1458a_100016274230_100000210670 [1,0,1,0,0,0|0,0,2]=4 2962 B15R0.322 CC/C=C\CC(=O)CCCCCCCCC 1458a_100000210558_100103147603 [1,0,1,0,0,0|0,0,2]=4 2963 B15R0.322 CC/C=C\CN(C)CCCCCCCCC 2230a_100000232482_100103147603 [1,0,1,0,0,0|1,0,1]=4 2964 B15R0.322 CC/C=C\CN(C)CCCCCCCCC 269982a_100000232482_100103147603 [1,0,1,0,0,0|1,0,1]=4 2965 B15R0.322 CCC#CCC(=O)CCCCCCCCC 1458a_100000210558_100009813939 [1,0,1,0,0,0|0,0,2]=4 2966 B15R0.322 CCCC#CC(=O)CCCCCCCCC 1458a_200011218047_100000210670 [1,0,1,0,0,0|0,0,2]=4 2967 B15R0.322 CCCC=CC(=O)CCCCCCCCC 1458a_100000212230_100000210670 [1,0,1,0,0,0|0,0,2]=4 2968 B15R0.322 CCCCC#CCCCC(=O)CCCCC 1458a_100000212188_200000047210 [1,0,1,0,0,0|0,0,2]=4 2969 B15R0.322 CCCCC/C=C/CCC(=O)CCCCC 1458a_200015255902_100000210326 [1,0,1,0,0,0|0,0,2]=4 2970 B15R0.322 CCCCCC(=O)CCCCCCCCO 1458a_100000212188_100000033203 [1,0,1,0,0,0|1,0,0]=3 2971 B15R0.322 CCCCCC(=O)CNCCCCCCO 2230a_100000686447_200012276598 [1,0,1,0,0,0|2,0,0]=4 2972 B15R0.322 CCCCCC(=O)CNCCCCCCO 34a_100000686447_200012276598 [1,0,1,0,0,0|2,0,0]=4 2973 B15R0.322 CCCCCC(=O)CNCCCCCOC 2230a_100000747528_200012276598 [1,0,1,0,0,0|2,0,0]=4 2974 B15R0.322 CCCCCC(=O)CNCCCCCOC 34a_100000747528_200012276598 [1,0,1,0,0,0|2,0,0]=4 2975 B15R0.322 CCCCCC(=O)CNCCCOCCC 2230a_100011217757_200012276598 [1,0,1,0,0,0|2,0,0]=4 2976 B15R0.322 CCCCCC(=O)CNCCCOCCC 34a_100011217757_200012276598 [1,0,1,0,0,0|2,0,0]=4 2977 B15R0.322 CCCCCC(=O)CNCCSCCCC 2230a_100025743550_200012276598 [1,0,1,0,0,0|2,0,0]=4 2978 B15R0.322 CCCCCC(=O)COCCCCCCBr 34a_100011215345_200012276598 [1,0,1,0,0,0|2,0,0]=4 2979 B15R0.322 CCCCCC(=O)COCCCCCCBr 7a_100011215345_200012276598 [1,0,1,0,0,0|2,0,0]=4 2980 B15R0.322 CCCCCC(=O)COCCCCCCCl 34a_100000766143_200012276598 [1,0,1,0,0,0|2,0,0]=4 2981 B15R0.322 CCCCCC(=O)COCCCCCCCl 7a_100000766143_200012276598 [1,0,1,0,0,0|2,0,0]=4 2982 B15R0.322 CCCCCC(=O)COCCCCCCF 34a_100000732779_200012276598 [1,0,1,0,0,0|2,0,0]=4 2983 B15R0.322 CCCCCC(=O)COCCCCCCF 7a_100000732779_200012276598 [1,0,1,0,0,0|2,0,0]=4 2984 B15R0.322 CCCCCC(=O)COCCCCCCN 34a_100000686447_200012276598 [1,0,1,0,0,0|2,0,0]=4 2985 B15R0.322 CCCCCC(=O)COCCCCCNC 34a_100000722520_200012276598 [1,0,1,0,0,0|2,0,0]=4 2986 B15R0.322 CCCCCC(=O)COCCOCCCC 1458a_100011216887_100000210326 [1,0,1,0,0,0|2,0,0]=4 2987 B15R0.322 CCCCCC(=O)COCCOCCCC 34a_100000210238_200012276598 [1,0,1,0,0,0|2,0,0]=4 2988 B15R0.322 CCCCCC(=O)COCCOCCCC 7a_100000210238_200012276598 [1,0,1,0,0,0|2,0,0]=4 2989 B15R0.322 CCCCCC(=O)COCCSCCCC 34a_200000230436_200012276598 [1,0,1,0,0,0|2,0,0]=4 2990 B15R0.322 CCCCCC(=O)COCCSCCCC 7a_200000230436_200012276598 [1,0,1,0,0,0|2,0,0]=4 2991 B15R0.322 CCCCCC(=O)CSCCCCCCF 62a_100015922095_200012276598 [1,0,1,0,0,0|2,0,0]=4 2992 B15R0.322 CCCCCC(=O)CSCCCCCCF 62a_200012276598_100015922095 [1,0,1,0,0,0|2,0,0]=4 2993 B15R0.322 CCCCCC(=O)CSCCCCCCO 62a_100000766143_200012276598 [1,0,1,0,0,0|2,0,0]=4 2994 B15R0.322 CCCCCC(=O)CSCCCCCCO 62a_200012276598_100000766143 [1,0,1,0,0,0|2,0,0]=4 2995 B15R0.322 CCCCCC(=O)CSCCOCCCC 62a_100000743108_200012276598 [1,0,1,0,0,0|2,0,0]=4 2996 B15R0.322 CCCCCC(=O)CSCCOCCCC 62a_200012276598_100000743108 [1,0,1,0,0,0|2,0,0]=4 2997 B15R0.322 CCCCCC(=O)NCCCCCCCO 240690a_100011996573_100000212188 [1,0,1,0,0,0|2,0,0]=4 2998 B15R0.322 CCCCCC(=O)NCCCOCCCC 1626a_200000211371_100000212188 [1,0,1,0,0,0|2,0,0]=4 2999 B15R0.322 CCCCCC(=O)NCCCOCCCC 240690a_200000211371_100000212188 [1,0,1,0,0,0|2,0,0]=4 3000 B15R0.322 CCCCCC(=O)NCCCOCCCC 527a_200000211371_100000212188 [1,0,1,0,0,0|2,0,0]=4 3001 B15R0.322 CCCCCC/C=C/CC(=O)CCCCC 1458a_100020681715_100000210326 [1,0,1,0,0,0|0,0,2]=4 3002 B15R0.322 CCCCCCCC=CC(=O)CCCCC 1458a_200015332781_100000210326 [1,0,1,0,0,0|0,0,2]=4 3003 B15R0.322 CCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210670 [1,0,1,0,0,0|1,0,1]=4 3004 B15R0.322 CCCCCCCCCC(=O)CCCC#N 1458a_100000210558_100000211468 [1,0,1,0,0,0|1,0,1]=4 3005 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000210558_100000210326 [1,0,1,0,0,0|0,0,0]=2 3006 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210670 [1,0,1,0,0,0|0,0,0]=2 3007 B15R0.322 CCCCCCCCCC(=O)CCCCF 1458a_100000210558_100000729493 [1,0,1,0,0,0|1,0,0]=3 3008 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000210558_100000210776 [1,0,1,0,0,0|1,0,0]=3 3009 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210670 [1,0,1,0,0,0|1,0,0]=3 3010 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000210558_100000740836 [1,0,1,0,0,0|1,0,0]=3 3011 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210670 [1,0,1,0,0,0|1,0,0]=3 3012 B15R0.322 CCCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210670 [1,0,1,0,0,0|1,0,0]=3 3013 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000210558_100011215890 [1,0,1,0,0,0|1,0,0]=3 3014 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210670 [1,0,1,0,0,0|1,0,0]=3 3015 B15R0.322 CCCCCCCCCC(=O)CCSCC 1458a_100000210558_100000757381 [1,0,1,0,0,0|1,0,0]=3 3016 B15R0.322 CCCCCCCCCC(=O)CCSCC 1458a_100000230768_100000210670 [1,0,1,0,0,0|1,0,0]=3 3017 B15R0.322 CCCCCCCCCC(=O)COCCC 1458a_100000745993_100000210670 [1,0,1,0,0,0|1,0,0]=3 3018 B15R0.322 CCCCCCCCCC(=O)COCCO 1458a_100000708028_100000210670 [1,0,1,0,0,0|2,0,0]=4 3019 B15R0.322 CCCCCCCCCC(=O)CSCCC 1458a_100000217233_100000210670 [1,0,1,0,0,0|1,0,0]=3 3020 B15R0.322 CCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210558 [1,0,1,0,0,0|1,0,0]=3 3021 B15R0.322 CCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210558 [1,0,1,0,0,0|1,0,0]=3 3022 B15R0.322 CCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210558 [1,0,1,0,0,0|1,0,0]=3 3023 B15R0.322 CCCCCCCCCC(=O)NCCCC 527a_100000102301_100000210558 [1,0,1,0,0,0|1,0,0]=3 3024 B15R0.322 CCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210558 [1,0,1,0,0,0|2,0,0]=4 3025 B15R0.322 CCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210558 [1,0,1,0,0,0|2,0,0]=4 3026 B15R0.322 CCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210558 [1,0,1,0,0,0|2,0,0]=4 3027 B15R0.322 CCCCCCCCCC(=O)NCCCF 527a_100015189416_100000210558 [1,0,1,0,0,0|2,0,0]=4 3028 B15R0.322 CCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210558 [1,0,1,0,0,0|2,0,0]=4 3029 B15R0.322 CCCCCCCCCC(=O)NCCCO 527a_100000182051_100000210558 [1,0,1,0,0,0|2,0,0]=4 3030 B15R0.322 CCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210558 [1,0,1,0,0,0|2,0,0]=4 3031 B15R0.322 CCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210558 [1,0,1,0,0,0|2,0,0]=4 3032 B15R0.322 CCCCCCCCCC(=O)NCCOC 527a_100000209980_100000210558 [1,0,1,0,0,0|2,0,0]=4 3033 B15R0.322 CCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210558 [1,0,1,0,0,0|2,0,0]=4 3034 B15R0.322 CCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210558 [1,0,1,0,0,0|2,0,0]=4 3035 B15R0.322 CCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210558 [1,0,1,0,0,0|2,0,0]=4 3036 B15R0.322 CCCCCCCCCC(=O)NCCSC 527a_100020590264_100000210558 [1,0,1,0,0,0|2,0,0]=4 3037 B15R0.322 CCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210558 [1,0,1,0,0,0|2,0,0]=4 3038 B15R0.322 CCCCCCCCCC(=O)OCNCC 2230a_100015525214_200010990708 [1,0,1,0,0,0|2,0,0]=4 3039 B15R0.322 CCCCCCCCCC(=O)OCOCC 34a_100121572206_200010990708 [1,0,1,0,0,0|2,0,0]=4 3040 B15R0.322 CCCCCCCCCC(=O)OCSCC 62a_100000210202_200010990708 [1,0,1,0,0,0|2,0,0]=4 3041 B15R0.322 CCCCCCCCCC(C)CNCCC 270004a_100020643023_200011218516 [1,0,1,0,0,0|1,0,0]=3 3042 B15R0.322 CCCCCCCCCC(C)CNCCO 270004a_100000210304_200011218516 [1,0,1,0,0,0|2,0,0]=4 3043 B15R0.322 CCCCCCCCCC(C)NCCCC 270004a_100000102301_100011215753 [1,0,1,0,0,0|1,0,1]=4 3044 B15R0.322 CCCCCCCCCC(C)OCCCC 34a_100011218016_100000210210 [1,0,1,0,0,0|1,0,1]=4 3045 B15R0.322 CCCCCCCCCC(C)OCCCC 7a_100011218016_100000210211 [1,0,1,0,0,0|1,0,1]=4 3046 B15R0.322 CCCCCCCCCN(C)CCCCC 2230a_100000223495_100011214924 [1,0,1,0,0,0|1,0,1]=4 3047 B15R0.322 CCCCCCCCCN(C)CCCCC 2230a_100000232482_100000210326 [1,0,1,0,0,0|1,0,1]=4 3048 B15R0.322 CCCCCCCCCN(C)CCCCC 269982a_100000223495_100000210670 [1,0,1,0,0,0|1,0,1]=4 3049 B15R0.322 CCCCCCCCCN(C)CCCCC 269982a_100000232482_100000210215 [1,0,1,0,0,0|1,0,1]=4 3050 B15R0.322 CCCCCCCCNC(=O)CCCCC 11a_100000229939_100000212188 [1,0,1,0,0,0|1,0,0]=3 3051 B15R0.322 CCCCCCCCNC(=O)CCCCC 1626a_100000229939_100000212188 [1,0,1,0,0,0|1,0,0]=3 3052 B15R0.322 CCCCCCCCNC(=O)CCCCC 240690a_100000229939_100000212188 [1,0,1,0,0,0|1,0,0]=3 3053 B15R0.322 CCCCCCCCNC(=O)CCCCC 527a_100000229939_100000212188 [1,0,1,0,0,0|1,0,0]=3 3054 B15R0.322 CCCCCCCCNC(=O)CCCCO 1626a_100000229939_100000695505 [1,0,1,0,0,0|2,0,0]=4 3055 B15R0.322 CCCCCCCCNC(=O)CCCOC 11a_100000229939_100000741012 [1,0,1,0,0,0|2,0,0]=4 3056 B15R0.322 CCCCCCCCNC(=O)CCCOC 1626a_100000229939_100000741012 [1,0,1,0,0,0|2,0,0]=4 3057 B15R0.322 CCCCCCCCNC(=O)CCCOC 240690a_100000229939_100000741012 [1,0,1,0,0,0|2,0,0]=4 3058 B15R0.322 CCCCCCCCNC(=O)CCCOC 527a_100000229939_100000741012 [1,0,1,0,0,0|2,0,0]=4 3059 B15R0.322 CCCCCCCCNC(=O)CCCSC 11a_100000229939_100000173376 [1,0,1,0,0,0|2,0,0]=4 3060 B15R0.322 CCCCCCCCNC(=O)CCCSC 1626a_100000229939_100000173376 [1,0,1,0,0,0|2,0,0]=4 3061 B15R0.322 CCCCCCCCNC(=O)CCCSC 240690a_100000229939_100000173376 [1,0,1,0,0,0|2,0,0]=4 3062 B15R0.322 CCCCCCCCNC(=O)CCCSC 527a_100000229939_100000173376 [1,0,1,0,0,0|2,0,0]=4 3063 B15R0.322 CCCCCCCCNC(=O)CCOCC 11a_100000229939_100000749530 [1,0,1,0,0,0|2,0,0]=4 3064 B15R0.322 CCCCCCCCNC(=O)CCOCC 1626a_100000229939_100000749530 [1,0,1,0,0,0|2,0,0]=4 3065 B15R0.322 CCCCCCCCNC(=O)CCOCC 240690a_100000229939_100000749530 [1,0,1,0,0,0|2,0,0]=4 3066 B15R0.322 CCCCCCCCNC(=O)CCOCC 527a_100000229939_100000749530 [1,0,1,0,0,0|2,0,0]=4 3067 B15R0.322 CCCCCCCCNC(=O)CCSCC 11a_100000229939_100000230768 [1,0,1,0,0,0|2,0,0]=4 3068 B15R0.322 CCCCCCCCNC(=O)CCSCC 1626a_100000229939_100000230768 [1,0,1,0,0,0|2,0,0]=4 3069 B15R0.322 CCCCCCCCNC(=O)CCSCC 240690a_100000229939_100000230768 [1,0,1,0,0,0|2,0,0]=4 3070 B15R0.322 CCCCCCCCNC(=O)CCSCC 527a_100000229939_100000230768 [1,0,1,0,0,0|2,0,0]=4 3071 B15R0.322 CCCCCCCCNC(=O)COCCC 11a_100000229939_100000745993 [1,0,1,0,0,0|2,0,0]=4 3072 B15R0.322 CCCCCCCCNC(=O)COCCC 1626a_100000229939_100000745993 [1,0,1,0,0,0|2,0,0]=4 3073 B15R0.322 CCCCCCCCNC(=O)COCCC 240690a_100000229939_100000745993 [1,0,1,0,0,0|2,0,0]=4 3074 B15R0.322 CCCCCCCCNC(=O)COCCC 527a_100000229939_100000745993 [1,0,1,0,0,0|2,0,0]=4 3075 B15R0.322 CCCCCCCCNC(=O)CSCCC 11a_100000229939_100000217233 [1,0,1,0,0,0|2,0,0]=4 3076 B15R0.322 CCCCCCCCNC(=O)CSCCC 1626a_100000229939_100000217233 [1,0,1,0,0,0|2,0,0]=4 3077 B15R0.322 CCCCCCCCNC(=O)CSCCC 240690a_100000229939_100000217233 [1,0,1,0,0,0|2,0,0]=4 3078 B15R0.322 CCCCCCCCNC(=O)CSCCC 527a_100000229939_100000217233 [1,0,1,0,0,0|2,0,0]=4 3079 B15R0.322 CCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000229939 [1,0,1,0,0,0|2,0,0]=4 3080 B15R0.322 CCCCCCCCNC(=O)NCCCC 2708a_100000229939_100000102301 [1,0,1,0,0,0|2,0,0]=4 3081 B15R0.322 CCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000229939 [1,0,1,0,0,0|2,0,0]=4 3082 B15R0.322 CCCCCCCCNC(=O)NCCCC 273464a_100000229939_100000102301 [1,0,1,0,0,0|2,0,0]=4 3083 B15R0.322 CCCCCCCCNC(=O)NCCCC 512a_100000102301_100000229939 [1,0,1,0,0,0|2,0,0]=4 3084 B15R0.322 CCCCCCCCNC(=O)NCCCC 512a_100000229939_100000102301 [1,0,1,0,0,0|2,0,0]=4 3085 B15R0.322 CCCCCCCCNC(C)CCCCC 2230a_100000211957_100000210759 [1,0,1,0,0,0|1,0,1]=4 3086 B15R0.322 CCCCCCCCNC(C)CCCCC 2230a_100000229939_200011218191 [1,0,1,0,0,0|1,0,1]=4 3087 B15R0.322 CCCCCCCCNC(C)CCCCC 270004a_100000229939_100000211708 [1,0,1,0,0,0|1,0,1]=4 3088 B15R0.322 CCCCCCCCNC(C)CCCCC 34a_100000229939_200011218191 [1,0,1,0,0,0|1,0,1]=4 3089 B15R0.322 CCCCCCCCNC(C)CSCCC 270004a_100000229939_100011343953 [1,0,1,0,0,0|2,0,0]=4 3090 B15R0.322 CCCCCCCCOC(C)CCCCC 34a_100000210232_200011218191 [1,0,1,0,0,0|1,0,1]=4 3091 B15R0.322 CCCCCCCCOC(C)CCCCC 34a_100011215632_100000210759 [1,0,1,0,0,0|1,0,1]=4 3092 B15R0.322 CCCCCCCCOC(C)CCCCC 7a_100000210232_200011218191 [1,0,1,0,0,0|1,0,1]=4 3093 B15R0.322 CCCCCCCCOC(C)CCCCC 7a_100011215632_100000210759 [1,0,1,0,0,0|1,0,1]=4 3094 B15R0.322 CCCCCCCNCC(=O)CCCCC 2230a_100000229938_200012276598 [1,0,1,0,0,0|1,0,0]=3 3095 B15R0.322 CCCCCCCNCC(=O)NCCCC 2230a_100000229938_100000182744 [1,0,1,0,0,0|2,0,0]=4 3096 B15R0.322 CCCCCCCNCC(=O)OCCCC 2230a_100000229938_100000211628 [1,0,1,0,0,0|2,0,0]=4 3097 B15R0.322 CCCCCCCOCC(=O)CCCCC 34a_100000210272_200012276598 [1,0,1,0,0,0|1,0,0]=3 3098 B15R0.322 CCCCCCCOCC(=O)CCCCC 7a_100000210272_200012276598 [1,0,1,0,0,0|1,0,0]=3 3099 B15R0.322 CCCCCCCOCC(=O)NCCCC 34a_100000210272_100000182744 [1,0,1,0,0,0|2,0,0]=4 3100 B15R0.322 CCCCCCCOCC(=O)NCCCC 7a_100000210272_100000182744 [1,0,1,0,0,0|2,0,0]=4 3101 B15R0.322 CCCCCCCOCC(=O)OCCCC 34a_100000210272_100000211628 [1,0,1,0,0,0|2,0,0]=4 3102 B15R0.322 CCCCCCCOCC(=O)OCCCC 7a_100000210272_100000211628 [1,0,1,0,0,0|2,0,0]=4 3103 B15R0.322 CCCCCCCSCC(=O)CCCCC 62a_100000210614_200012276598 [1,0,1,0,0,0|1,0,0]=3 3104 B15R0.322 CCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210316 [1,0,1,0,0,0|1,0,0]=3 3105 B15R0.322 CCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210316 [1,0,1,0,0,0|2,0,0]=4 3106 B15R0.322 CCCCCCCSCC(=O)NCCCC 62a_100000210614_100000182744 [1,0,1,0,0,0|2,0,0]=4 3107 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000210614_100000211628 [1,0,1,0,0,0|2,0,0]=4 3108 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210316 [1,0,1,0,0,0|2,0,0]=4 3109 B15R0.322 CCCCNC(=O)CCCCCCCCO 240690a_100000102301_100000015970 [1,0,1,0,0,0|2,0,0]=4 3110 B15R0.322 CCCOCC(=O)CCCCCCCCO 1458a_100000745993_100000033203 [1,0,1,0,0,0|2,0,0]=4 3111 B15R0.322 CCCSCC(=O)CCCCCCCCO 1458a_100000217233_100000033203 [1,0,1,0,0,0|2,0,0]=4 3112 B15R0.322 CCOCCC(=O)CCCCCCCCO 1458a_100000749530_100000033203 [1,0,1,0,0,0|2,0,0]=4 3113 B15R0.322 CCSCCC(=O)CCCCCCCCO 1458a_100000230768_100000033203 [1,0,1,0,0,0|2,0,0]=4 3114 B15R0.322 COCCCC(=O)CCCCCCCCO 1458a_100000741012_100000033203 [1,0,1,0,0,0|2,0,0]=4 3115 B15R0.322 CSCCCC(=O)CCCCCCCCO 1458a_100000173376_100000033203 [1,0,1,0,0,0|2,0,0]=4 3116 B15R0.322 O=C(CCCCO)CCCCCCCCO 1458a_100000695505_100000033203 [1,0,1,0,0,0|2,0,0]=4 3117 B15R0.370 C#CCCCCCCC(=O)CC(C)CCC 1458a_100000034748_100011216630 [1,0,1,0,0,0|0,0,2]=4 3118 B15R0.370 C#CCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100012276617 [1,0,1,0,0,0|0,0,2]=4 3119 B15R0.370 C=C(CCC)CC(=O)CCCCCCCC 1458a_100000138376_100000210759 [1,0,1,0,0,0|0,0,2]=4 3120 B15R0.370 C=CCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100011215473 [1,0,1,0,0,0|0,0,2]=4 3121 B15R0.370 C=CCCCCCCC(=O)CC(C)CCC 1458a_100011809334_100011216630 [1,0,1,0,0,0|0,0,2]=4 3122 B15R0.370 CCCC(C)CC(=O)CCCCCCC#N 1458a_100000748435_100009813337 [1,0,1,0,0,0|1,0,1]=4 3123 B15R0.370 CCCC(C)CC(=O)CCCCCCCO 1458a_100000748435_100000760002 [1,0,1,0,0,0|1,0,0]=3 3124 B15R0.370 CCCC(C)CC(=O)CCCCCCCO 1458a_100011219782_100011216630 [1,0,1,0,0,0|1,0,0]=3 3125 B15R0.370 CCCC(C)CC(=O)CCCCCCOC 1458a_100000748435_100011998445 [1,0,1,0,0,0|1,0,0]=3 3126 B15R0.370 CCCC(C)CC(=O)CCCOCCOC 1458a_100000748435_100011216529 [1,0,1,0,0,0|2,0,0]=4 3127 B15R0.370 CCCC(C)CC(=O)CCOCCOCC 1458a_100000748435_100011211534 [1,0,1,0,0,0|2,0,0]=4 3128 B15R0.370 CCCC(C)CC(=O)NCCCCCCO 240690a_100000686447_100000748435 [1,0,1,0,0,0|2,0,0]=4 3129 B15R0.370 CCCC(C)CC(=O)NCCCCCCO 527a_100000686447_100000748435 [1,0,1,0,0,0|2,0,0]=4 3130 B15R0.370 CCCC(C)CC(=O)NCCCCCOC 11a_100000747528_100000748435 [1,0,1,0,0,0|2,0,0]=4 3131 B15R0.370 CCCC(C)CC(=O)NCCCCCOC 1626a_100000747528_100000748435 [1,0,1,0,0,0|2,0,0]=4 3132 B15R0.370 CCCC(C)CC(=O)NCCCCCOC 240690a_100000747528_100000748435 [1,0,1,0,0,0|2,0,0]=4 3133 B15R0.370 CCCC(C)CC(=O)NCCCCCOC 527a_100000747528_100000748435 [1,0,1,0,0,0|2,0,0]=4 3134 B15R0.370 CCCC(C)NC(=O)CCCCCCCO 240690a_100000741246_100011219782 [1,0,1,0,0,0|2,0,0]=4 3135 B15R0.370 CCCCC/C=C/CC(=O)CC(C)CCC 1458a_100020675968_100011216630 [1,0,1,0,0,0|0,0,2]=4 3136 B15R0.370 CCCCCC#CCC(=O)CC(C)CCC 1458a_100000748435_100009816472 [1,0,1,0,0,0|0,0,2]=4 3137 B15R0.370 CCCCCCC=CC(=O)CC(C)CCC 1458a_200015324643_100011216630 [1,0,1,0,0,0|0,0,2]=4 3138 B15R0.370 CCCCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210759 [1,0,1,0,0,0|0,0,2]=4 3139 B15R0.370 CCCCCCCCC(=O)CC(=O)CCC 1458a_100000210188_100000747444 [1,0,1,0,0,0|1,0,1]=4 3140 B15R0.370 CCCCCCCCC(=O)CC(C)CCC 1458a_100000210188_100011216630 [1,0,1,0,0,0|0,0,0]=2 3141 B15R0.370 CCCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210759 [1,0,1,0,0,0|0,0,0]=2 3142 B15R0.370 CCCCCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210759 [1,0,1,0,0,0|1,0,0]=3 3143 B15R0.370 CCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210759 [1,0,1,0,0,0|2,0,0]=4 3144 B15R0.370 CCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100000210188 [1,0,1,0,0,0|1,0,0]=3 3145 B15R0.370 CCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100000210188 [1,0,1,0,0,0|1,0,0]=3 3146 B15R0.370 CCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100000210188 [1,0,1,0,0,0|1,0,0]=3 3147 B15R0.370 CCCCCCCCC(=O)NC(C)CCC 527a_100000741246_100000210188 [1,0,1,0,0,0|1,0,0]=3 3148 B15R0.370 CCCCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210188 [1,0,1,0,0,0|2,0,0]=4 3149 B15R0.370 CCCCCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000210188 [1,0,1,0,0,0|2,0,0]=4 3150 B15R0.370 CCCCCCCCC(=O)N[C@H](C)COC 11a_100000764878_100000210188 [1,0,1,0,0,0|2,0,0]=4 3151 B15R0.370 CCCCCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000210188 [1,0,1,0,0,0|2,0,0]=4 3152 B15R0.370 CCCCCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000210188 [1,0,1,0,0,0|2,0,0]=4 3153 B15R0.370 CCCCCCCCC(=O)N[C@H](C)COC 527a_100000764878_100000210188 [1,0,1,0,0,0|2,0,0]=4 3154 B15R0.370 CCCCCCCCC(C)CN(C)CCC 270004a_100000747261_100011995885 [1,0,1,0,0,0|2,0,0]=4 3155 B15R0.370 CCCCCCCCN(C)CC(=O)CCC 2230a_100000207567_100000747444 [1,0,1,0,0,0|1,0,0]=3 3156 B15R0.370 CCCCCCCCN(C)CC(=O)CCC 269982a_100000207567_100000747444 [1,0,1,0,0,0|1,0,0]=3 3157 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 2230a_100000207567_100000183381 [1,0,1,0,0,0|2,0,0]=4 3158 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210759 [1,0,1,0,0,0|2,0,0]=4 3159 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 269982a_100000207567_100000183381 [1,0,1,0,0,0|2,0,0]=4 3160 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210759 [1,0,1,0,0,0|2,0,0]=4 3161 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000207567_100000188475 [1,0,1,0,0,0|2,0,0]=4 3162 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210759 [1,0,1,0,0,0|2,0,0]=4 3163 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 269982a_100000207567_100000188475 [1,0,1,0,0,0|2,0,0]=4 3164 B15R0.370 CCCCCCCCN(C)CC(C)CCC 2230a_100000207567_100011216630 [1,0,1,0,0,0|2,0,0]=4 3165 B15R0.370 CCCCCCCCN(C)CC(C)CCC 269982a_100000207567_100011216630 [1,0,1,0,0,0|2,0,0]=4 3166 B15R0.370 CCCCCCCCN(C)CC(C)CCC 270004a_100000207567_100000243154 [1,0,1,0,0,0|2,0,0]=4 3167 B15R0.370 CCCCCCCNC(=O)CC(C)CCC 11a_100000229938_100000748435 [1,0,1,0,0,0|1,0,0]=3 3168 B15R0.370 CCCCCCCNC(=O)CC(C)CCC 1626a_100000229938_100000748435 [1,0,1,0,0,0|1,0,0]=3 3169 B15R0.370 CCCCCCCNC(=O)CC(C)CCC 240690a_100000229938_100000748435 [1,0,1,0,0,0|1,0,0]=3 3170 B15R0.370 CCCCCCCNC(=O)CC(C)CCC 527a_100000229938_100000748435 [1,0,1,0,0,0|1,0,0]=3 3171 B15R0.370 CCCCCCCNC(=O)CC(C)SCC 11a_100000229938_200011311441 [1,0,1,0,0,0|2,0,0]=4 3172 B15R0.370 CCCCCCCNC(=O)CC(C)SCC 1626a_100000229938_200011311441 [1,0,1,0,0,0|2,0,0]=4 3173 B15R0.370 CCCCCCCNC(=O)CC(C)SCC 240690a_100000229938_200011311441 [1,0,1,0,0,0|2,0,0]=4 3174 B15R0.370 CCCCCCCNC(=O)CC(C)SCC 527a_100000229938_200011311441 [1,0,1,0,0,0|2,0,0]=4 3175 B15R0.370 CCCCCCCNC(=O)NC(C)CCC 2708a_100000229938_100000741246 [1,0,1,0,0,0|2,0,0]=4 3176 B15R0.370 CCCCCCCNC(=O)NC(C)CCC 2708a_100000741246_100000229938 [1,0,1,0,0,0|2,0,0]=4 3177 B15R0.370 CCCCCCCNC(=O)NC(C)CCC 273464a_100000741246_100000229938 [1,0,1,0,0,0|2,0,0]=4 3178 B15R0.370 CCCCCCCNC(=O)NC(C)CCC 512a_100000229938_100000741246 [1,0,1,0,0,0|2,0,0]=4 3179 B15R0.370 CCCCCCCNC(=O)NC(C)CCC 512a_100000741246_100000229938 [1,0,1,0,0,0|2,0,0]=4 3180 B15R0.370 CCCCCCCNC(C)CC(=O)OCC 2230a_100000229938_100009817359 [1,0,1,0,0,0|2,0,0]=4 3181 B15R0.370 CCCCCCCOC(C)CC(=O)OCC 7a_100000210272_100009817359 [1,0,1,0,0,0|2,0,0]=4 3182 B15R0.370 CCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210614 [1,0,1,0,0,0|2,0,0]=4 3183 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100000210614_100009817359 [1,0,1,0,0,0|2,0,0]=4 3184 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210316 [1,0,1,0,0,0|2,0,0]=4 3185 B15R0.370 CCCCSCCNC(=O)CC(C)CCC 11a_100025743550_100000748435 [1,0,1,0,0,0|2,0,0]=4 3186 B15R0.370 CCCCSCCNC(=O)CC(C)CCC 1626a_100025743550_100000748435 [1,0,1,0,0,0|2,0,0]=4 3187 B15R0.370 CCCCSCCNC(=O)CC(C)CCC 240690a_100025743550_100000748435 [1,0,1,0,0,0|2,0,0]=4 3188 B15R0.370 CCCCSCCNC(=O)CC(C)CCC 527a_100025743550_100000748435 [1,0,1,0,0,0|2,0,0]=4 3189 B15R0.370 CCCOCCCNC(=O)CC(C)CCC 1626a_100011217757_100000748435 [1,0,1,0,0,0|2,0,0]=4 3190 B15R0.370 CCCOCCCNC(=O)CC(C)CCC 240690a_100011217757_100000748435 [1,0,1,0,0,0|2,0,0]=4 3191 B15R0.370 CCCOCCCNC(=O)CC(C)CCC 527a_100011217757_100000748435 [1,0,1,0,0,0|2,0,0]=4 3192 B15R0.370 CCSC(C)CC(=O)CCCCCCCO 1458a_200011311441_100000760002 [1,0,1,0,0,0|2,0,0]=4 3193 B15R0.370 CCSC(C)CC(=O)CCCCCCOC 1458a_200011311441_100011998445 [1,0,1,0,0,0|2,0,0]=4 3194 B15R0.3221 C#CCCCCCCCC(=O)CC(C)CC 1458a_100000087357_100000748023 [1,0,1,0,0,0|0,0,2]=4 3195 B15R0.3221 C#CCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100153394163 [1,0,1,0,0,0|0,0,2]=4 3196 B15R0.3221 C#CCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000087357_100009816398 [1,0,1,0,0,0|0,0,2]=4 3197 B15R0.3221 C=CC(C)CC(=O)CCCCCCCCC 1458a_100011934298_100000210670 [1,0,1,0,0,0|0,0,2]=4 3198 B15R0.3221 C=CCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100012355270 [1,0,1,0,0,0|0,0,2]=4 3199 B15R0.3221 C=CCCCCCCCC(=O)CC(C)CC 1458a_100011216160_100000748023 [1,0,1,0,0,0|0,0,2]=4 3200 B15R0.3221 C=CCCCCCCCC(=O)C[C@@H](C)CC 1458a_100011216160_100009816398 [1,0,1,0,0,0|0,0,2]=4 3201 B15R0.3221 CCC(C)CC(=O)CCCCCCCCO 1458a_100000708755_100000033203 [1,0,1,0,0,0|1,0,0]=3 3202 B15R0.3221 CCC(C)CC(=O)NCCCCCCCO 240690a_100011996573_100000708755 [1,0,1,0,0,0|2,0,0]=4 3203 B15R0.3221 CCC(C)NC(=O)CCCCCCCCO 240690a_100000209981_100000015970 [1,0,1,0,0,0|2,0,0]=4 3204 B15R0.3221 CCC(O)CC(=O)CCCCCCCCO 1458a_100011667805_100000033203 [1,0,1,0,0,0|2,0,0]=4 3205 B15R0.3221 CCCCC#CCCCC(=O)CC(C)CC 1458a_100000708755_200000047210 [1,0,1,0,0,0|0,0,2]=4 3206 B15R0.3221 CCCCC/C=C/CCC(=O)CC(C)CC 1458a_200015255902_100000748023 [1,0,1,0,0,0|0,0,2]=4 3207 B15R0.3221 CCCCC/C=C/CCC(=O)C[C@@H](C)CC 1458a_200015255902_100009816398 [1,0,1,0,0,0|0,0,2]=4 3208 B15R0.3221 CCCCCC/C=C/CC(=O)CC(C)CC 1458a_100020681715_100000748023 [1,0,1,0,0,0|0,0,2]=4 3209 B15R0.3221 CCCCCC/C=C/CC(=O)C[C@@H](C)CC 1458a_100020681715_100009816398 [1,0,1,0,0,0|0,0,2]=4 3210 B15R0.3221 CCCCCCCC=CC(=O)CC(C)CC 1458a_200015332781_100000748023 [1,0,1,0,0,0|0,0,2]=4 3211 B15R0.3221 CCCCCCCC=CC(=O)C[C@@H](C)CC 1458a_200015332781_100009816398 [1,0,1,0,0,0|0,0,2]=4 3212 B15R0.3221 CCCCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210670 [1,0,1,0,0,0|0,0,2]=4 3213 B15R0.3221 CCCCCCCCCC(=O)CC(=O)CC 1458a_100000210558_100000747405 [1,0,1,0,0,0|1,0,1]=4 3214 B15R0.3221 CCCCCCCCCC(=O)CC(C)CC 1458a_100000210558_100000748023 [1,0,1,0,0,0|0,0,0]=2 3215 B15R0.3221 CCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210670 [1,0,1,0,0,0|0,0,0]=2 3216 B15R0.3221 CCCCCCCCCC(=O)CC(O)CC 1458a_100000210558_100011218378 [1,0,1,0,0,0|1,0,0]=3 3217 B15R0.3221 CCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210670 [1,0,1,0,0,0|1,0,0]=3 3218 B15R0.3221 CCCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210670 [1,0,1,0,0,0|1,0,0]=3 3219 B15R0.3221 CCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210558_100009816398 [1,0,1,0,0,0|0,0,0]=2 3220 B15R0.3221 CCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000210558_100000059175 [1,0,1,0,0,0|1,0,0]=3 3221 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000210558 [1,0,1,0,0,0|1,0,0]=3 3222 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000210558 [1,0,1,0,0,0|1,0,0]=3 3223 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000210558 [1,0,1,0,0,0|1,0,0]=3 3224 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 527a_100000209981_100000210558 [1,0,1,0,0,0|1,0,0]=3 3225 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210558 [1,0,1,0,0,0|2,0,0]=4 3226 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210558 [1,0,1,0,0,0|2,0,0]=4 3227 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210558 [1,0,1,0,0,0|2,0,0]=4 3228 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210558 [1,0,1,0,0,0|2,0,0]=4 3229 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210558 [1,0,1,0,0,0|2,0,0]=4 3230 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210558 [1,0,1,0,0,0|2,0,0]=4 3231 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 1626a_100102657272_200012339438 [1,0,1,0,0,0|2,0,0]=4 3232 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 240690a_100102657272_200012339438 [1,0,1,0,0,0|2,0,0]=4 3233 B15R0.3221 CCCCCCCCCN(C)CC(=O)CC 269982a_100000232482_100000747405 [1,0,1,0,0,0|1,0,0]=3 3234 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011214924 [1,0,1,0,0,0|2,0,0]=4 3235 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000232482_100000183359 [1,0,1,0,0,0|2,0,0]=4 3236 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 269982a_100000232482_100000183359 [1,0,1,0,0,0|2,0,0]=4 3237 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011214924 [1,0,1,0,0,0|2,0,0]=4 3238 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000232482_100000747449 [1,0,1,0,0,0|2,0,0]=4 3239 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 269982a_100000232482_100000747449 [1,0,1,0,0,0|2,0,0]=4 3240 B15R0.3221 CCCCCCCCCN(C)CC(C)CC 2230a_100000232482_100000748023 [1,0,1,0,0,0|2,0,0]=4 3241 B15R0.3221 CCCCCCCCCN(C)CC(C)CC 2230a_100000753921_100011214924 [1,0,1,0,0,0|2,0,0]=4 3242 B15R0.3221 CCCCCCCCCN(C)CC(C)CC 269982a_100000232482_100000748023 [1,0,1,0,0,0|2,0,0]=4 3243 B15R0.3221 CCCCCCCCCN(C)CC(C)CC 269982a_100000753921_100000210670 [1,0,1,0,0,0|2,0,0]=4 3244 B15R0.3221 CCCCCCCCCN(C)CC(C)CC 270004a_100000232482_100000243153 [1,0,1,0,0,0|2,0,0]=4 3245 B15R0.3221 CCCCCCCCCN(C)C[C@@H](C)CC 2230a_100000232482_100009816398 [1,0,1,0,0,0|2,0,0]=4 3246 B15R0.3221 CCCCCCCCCN(C)C[C@@H](C)CC 269982a_100000232482_100009816398 [1,0,1,0,0,0|2,0,0]=4 3247 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 11a_100000229939_100000708755 [1,0,1,0,0,0|1,0,0]=3 3248 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 1626a_100000229939_100000708755 [1,0,1,0,0,0|1,0,0]=3 3249 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 240690a_100000229939_100000708755 [1,0,1,0,0,0|1,0,0]=3 3250 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 527a_100000229939_100000708755 [1,0,1,0,0,0|1,0,0]=3 3251 B15R0.3221 CCCCCCCCNC(=O)CC(O)CC 1626a_100000229939_100011667805 [1,0,1,0,0,0|2,0,0]=4 3252 B15R0.3221 CCCCCCCCNC(=O)CC(O)CC 240690a_100000229939_100011667805 [1,0,1,0,0,0|2,0,0]=4 3253 B15R0.3221 CCCCCCCCNC(=O)CN(C)CC 240690a_100000229939_100116209913 [1,0,1,0,0,0|2,0,0]=4 3254 B15R0.3221 CCCCCCCCNC(=O)CN(C)CC 527a_100000229939_100116209913 [1,0,1,0,0,0|2,0,0]=4 3255 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 2708a_100000209981_100000229939 [1,0,1,0,0,0|2,0,0]=4 3256 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 2708a_100000229939_100000209981 [1,0,1,0,0,0|2,0,0]=4 3257 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 273464a_100000209981_100000229939 [1,0,1,0,0,0|2,0,0]=4 3258 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 273464a_100000229939_100000209981 [1,0,1,0,0,0|2,0,0]=4 3259 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 512a_100000209981_100000229939 [1,0,1,0,0,0|2,0,0]=4 3260 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 512a_100000229939_100000209981 [1,0,1,0,0,0|2,0,0]=4 3261 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 2230a_100000229939_100009817358 [1,0,1,0,0,0|2,0,0]=4 3262 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 34a_100000229939_100009817358 [1,0,1,0,0,0|2,0,0]=4 3263 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 34a_100000210232_100009817358 [1,0,1,0,0,0|2,0,0]=4 3264 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 7a_100000210232_100009817358 [1,0,1,0,0,0|2,0,0]=4 3265 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100000210759_100009817358 [1,0,1,0,0,0|2,0,0]=4 3266 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210317 [1,0,1,0,0,0|2,0,0]=4 3267 B15R0.3221 CCCCCCCNCC(=O)NC(C)CC 2230a_100000229938_100000182745 [1,0,1,0,0,0|2,0,0]=4 3268 B15R0.3221 CCCCCCCOCC(=O)NC(C)CC 34a_100000210272_100000182745 [1,0,1,0,0,0|2,0,0]=4 3269 B15R0.3221 CCCCCCCOCC(=O)NC(C)CC 7a_100000210272_100000182745 [1,0,1,0,0,0|2,0,0]=4 3270 B15R0.3221 CCCCCCCSCC(=O)NC(C)CC 62a_100000182745_100000210316 [1,0,1,0,0,0|2,0,0]=4 3271 B15R0.3221 CCCCCCCSCC(=O)NC(C)CC 62a_100000210614_100000182745 [1,0,1,0,0,0|2,0,0]=4 3272 B15R0.3221 CCCCOCCCNC(=O)CC(C)CC 1626a_200000211371_100000708755 [1,0,1,0,0,0|2,0,0]=4 3273 B15R0.3221 CCCCOCCCNC(=O)CC(C)CC 240690a_200000211371_100000708755 [1,0,1,0,0,0|2,0,0]=4 3274 B15R0.3221 CCCCOCCCNC(=O)CC(C)CC 527a_200000211371_100000708755 [1,0,1,0,0,0|2,0,0]=4 3275 B15R0.3221 CCCCOCCOCC(=O)CC(C)CC 1458a_100011216887_100000748023 [1,0,1,0,0,0|2,0,0]=4 3276 B15R0.3221 CCCCOCCOCC(=O)C[C@@H](C)CC 1458a_100011216887_100009816398 [1,0,1,0,0,0|2,0,0]=4 3277 B15R0.3221 CCN(C)CC(=O)CCCCCCCCO 1458a_100116209913_100000033203 [1,0,1,0,0,0|2,0,0]=4 3278 B15R0.149 C#CCCCCC(=O)CCCCCCCC 1458a_100000210188_100010269958 [1,0,1,0,0,0|0,0,2]=4 3279 B15R0.149 C#CCCCCC(=O)CCCCCCCC 1458a_100000696528_100000210759 [1,0,1,0,0,0|0,0,2]=4 3280 B15R0.149 C#CCCCCCCC(=O)CCCCCC 1458a_100000034748_100000210757 [1,0,1,0,0,0|0,0,2]=4 3281 B15R0.149 C#CCCCCCCC(=O)CCCCCC 1458a_100102632555_100012276617 [1,0,1,0,0,0|0,0,2]=4 3282 B15R0.149 C=CCCCCC(=O)CCCCCCCC 1458a_100000210188_100011215482 [1,0,1,0,0,0|0,0,2]=4 3283 B15R0.149 C=CCCCCC(=O)CCCCCCCC 1458a_100011215552_100000210759 [1,0,1,0,0,0|0,0,2]=4 3284 B15R0.149 C=CCCCCCCC(=O)CCCCCC 1458a_100011809334_100000210757 [1,0,1,0,0,0|0,0,2]=4 3285 B15R0.149 C=CCCCCCCC(=O)CCCCCC 1458a_100102632555_100011215473 [1,0,1,0,0,0|0,0,2]=4 3286 B15R0.149 CC/C=C\CCC(=O)CCCCCCCC 1458a_100000210188_100015370543 [1,0,1,0,0,0|0,0,2]=4 3287 B15R0.149 CCC/C=C/CC(=O)CCCCCCCC 1458a_200016266809_100000210759 [1,0,1,0,0,0|0,0,2]=4 3288 B15R0.149 CCCCC/C=C/CC(=O)CCCCCC 1458a_100020675968_100000210757 [1,0,1,0,0,0|0,0,2]=4 3289 B15R0.149 CCCCC=CC(=O)CCCCCCCC 1458a_100016266645_100000210759 [1,0,1,0,0,0|0,0,2]=4 3290 B15R0.149 CCCCCC#CCC(=O)CCCCCC 1458a_100102632555_100009816472 [1,0,1,0,0,0|0,0,2]=4 3291 B15R0.149 CCCCCCC(=O)CCCCCCC#N 1458a_100102632555_100009813337 [1,0,1,0,0,0|1,0,1]=4 3292 B15R0.149 CCCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210757 [1,0,1,0,0,0|1,0,0]=3 3293 B15R0.149 CCCCCCC(=O)CCCCCCCO 1458a_100102632555_100000760002 [1,0,1,0,0,0|1,0,0]=3 3294 B15R0.149 CCCCCCC(=O)CCCCCCOC 1458a_100102632555_100011998445 [1,0,1,0,0,0|1,0,0]=3 3295 B15R0.149 CCCCCCC(=O)CCCOCCOC 1458a_100102632555_100011216529 [1,0,1,0,0,0|2,0,0]=4 3296 B15R0.149 CCCCCCC(=O)CCOCCOCC 1458a_100102632555_100011211534 [1,0,1,0,0,0|2,0,0]=4 3297 B15R0.149 CCCCCCC(=O)NCCCCCCO 240690a_100000686447_100102632555 [1,0,1,0,0,0|2,0,0]=4 3298 B15R0.149 CCCCCCC(=O)NCCCCCCO 527a_100000686447_100102632555 [1,0,1,0,0,0|2,0,0]=4 3299 B15R0.149 CCCCCCC(=O)NCCCCCOC 11a_100000747528_100102632555 [1,0,1,0,0,0|2,0,0]=4 3300 B15R0.149 CCCCCCC(=O)NCCCCCOC 1626a_100000747528_100102632555 [1,0,1,0,0,0|2,0,0]=4 3301 B15R0.149 CCCCCCC(=O)NCCCCCOC 240690a_100000747528_100102632555 [1,0,1,0,0,0|2,0,0]=4 3302 B15R0.149 CCCCCCC(=O)NCCCCCOC 527a_100000747528_100102632555 [1,0,1,0,0,0|2,0,0]=4 3303 B15R0.149 CCCCCCC(=O)NCCCOCCC 1626a_100011217757_100102632555 [1,0,1,0,0,0|2,0,0]=4 3304 B15R0.149 CCCCCCC(=O)NCCCOCCC 240690a_100011217757_100102632555 [1,0,1,0,0,0|2,0,0]=4 3305 B15R0.149 CCCCCCC(=O)NCCCOCCC 527a_100011217757_100102632555 [1,0,1,0,0,0|2,0,0]=4 3306 B15R0.149 CCCCCCC(=O)NCCSCCCC 11a_100025743550_100102632555 [1,0,1,0,0,0|2,0,0]=4 3307 B15R0.149 CCCCCCC(=O)NCCSCCCC 1626a_100025743550_100102632555 [1,0,1,0,0,0|2,0,0]=4 3308 B15R0.149 CCCCCCC(=O)NCCSCCCC 240690a_100025743550_100102632555 [1,0,1,0,0,0|2,0,0]=4 3309 B15R0.149 CCCCCCC(=O)NCCSCCCC 527a_100025743550_100102632555 [1,0,1,0,0,0|2,0,0]=4 3310 B15R0.149 CCCCCCC(C)CCOCCCCC 34a_200011024964_100000718602 [1,0,1,0,0,0|1,0,1]=4 3311 B15R0.149 CCCCCCC(C)CCOCCCCC 7a_200011024964_100000210326 [1,0,1,0,0,0|1,0,1]=4 3312 B15R0.149 CCCCCCC=CC(=O)CCCCCC 1458a_200015324643_100000210757 [1,0,1,0,0,0|0,0,2]=4 3313 B15R0.149 CCCCCCCCC(=O)CCCCC#N 1458a_100000210188_100000211819 [1,0,1,0,0,0|1,0,1]=4 3314 B15R0.149 CCCCCCCCC(=O)CCCCCC 1458a_100000210188_100000210757 [1,0,1,0,0,0|0,0,0]=2 3315 B15R0.149 CCCCCCCCC(=O)CCCCCC 1458a_100102632555_100000210759 [1,0,1,0,0,0|0,0,0]=2 3316 B15R0.149 CCCCCCCCC(=O)CCCCCF 1458a_100000210188_100000729378 [1,0,1,0,0,0|1,0,0]=3 3317 B15R0.149 CCCCCCCCC(=O)CCCCCO 1458a_100000210188_100000746330 [1,0,1,0,0,0|1,0,0]=3 3318 B15R0.149 CCCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210759 [1,0,1,0,0,0|1,0,0]=3 3319 B15R0.149 CCCCCCCCC(=O)CCCCOC 1458a_100000210188_100000755781 [1,0,1,0,0,0|1,0,0]=3 3320 B15R0.149 CCCCCCCCC(=O)CCCOCC 1458a_100000210188_100012232248 [1,0,1,0,0,0|1,0,0]=3 3321 B15R0.149 CCCCCCCCC(=O)CCOCCC 1458a_100000210188_100011215938 [1,0,1,0,0,0|1,0,0]=3 3322 B15R0.149 CCCCCCCCC(=O)CCOCCO 1458a_100000210188_100011215305 [1,0,1,0,0,0|2,0,0]=4 3323 B15R0.149 CCCCCCCCC(=O)CCOCCO 1458a_100011229844_100000210759 [1,0,1,0,0,0|2,0,0]=4 3324 B15R0.149 CCCCCCCCC(=O)COCCCC 1458a_100000210188_100011995733 [1,0,1,0,0,0|1,0,0]=3 3325 B15R0.149 CCCCCCCCC(=O)COCCCC 1458a_100000757543_100000210759 [1,0,1,0,0,0|1,0,0]=3 3326 B15R0.149 CCCCCCCCC(=O)COCCOC 1458a_100000211095_100000210759 [1,0,1,0,0,0|2,0,0]=4 3327 B15R0.149 CCCCCCCCC(=O)CSCCCC 1458a_100000191162_100000210759 [1,0,1,0,0,0|1,0,0]=3 3328 B15R0.149 CCCCCCCCC(=O)NCCCCC 11a_100000209983_100000210188 [1,0,1,0,0,0|1,0,0]=3 3329 B15R0.149 CCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000210188 [1,0,1,0,0,0|1,0,0]=3 3330 B15R0.149 CCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000210188 [1,0,1,0,0,0|1,0,0]=3 3331 B15R0.149 CCCCCCCCC(=O)NCCCCC 527a_100000209983_100000210188 [1,0,1,0,0,0|1,0,0]=3 3332 B15R0.149 CCCCCCCCC(=O)NCCCCO 240690a_100000750430_100000210188 [1,0,1,0,0,0|2,0,0]=4 3333 B15R0.149 CCCCCCCCC(=O)NCCCCO 527a_100000750430_100000210188 [1,0,1,0,0,0|2,0,0]=4 3334 B15R0.149 CCCCCCCCC(=O)NCCCOC 1626a_100150723488_100000210188 [1,0,1,0,0,0|2,0,0]=4 3335 B15R0.149 CCCCCCCCC(=O)NCCCOC 240690a_100150723488_100000210188 [1,0,1,0,0,0|2,0,0]=4 3336 B15R0.149 CCCCCCCCC(=O)NCCCOC 527a_100150723488_100000210188 [1,0,1,0,0,0|2,0,0]=4 3337 B15R0.149 CCCCCCCCC(=O)NCCCSC 11a_100000749238_100000210188 [1,0,1,0,0,0|2,0,0]=4 3338 B15R0.149 CCCCCCCCC(=O)NCCCSC 1626a_100000749238_100000210188 [1,0,1,0,0,0|2,0,0]=4 3339 B15R0.149 CCCCCCCCC(=O)NCCCSC 240690a_100000749238_100000210188 [1,0,1,0,0,0|2,0,0]=4 3340 B15R0.149 CCCCCCCCC(=O)NCCCSC 527a_100000749238_100000210188 [1,0,1,0,0,0|2,0,0]=4 3341 B15R0.149 CCCCCCCCC(=O)NCCOCC 11a_100011200944_100000210188 [1,0,1,0,0,0|2,0,0]=4 3342 B15R0.149 CCCCCCCCC(=O)NCCOCC 1626a_102516460346_100000210188 [1,0,1,0,0,0|2,0,0]=4 3343 B15R0.149 CCCCCCCCC(=O)NCCOCC 240690a_100011200944_100000210188 [1,0,1,0,0,0|2,0,0]=4 3344 B15R0.149 CCCCCCCCC(=O)NCCOCC 527a_100011200944_100000210188 [1,0,1,0,0,0|2,0,0]=4 3345 B15R0.149 CCCCCCCCC(=O)NCCSCC 11a_100000106463_100000210188 [1,0,1,0,0,0|2,0,0]=4 3346 B15R0.149 CCCCCCCCC(=O)NCCSCC 1626a_100000106463_100000210188 [1,0,1,0,0,0|2,0,0]=4 3347 B15R0.149 CCCCCCCCC(=O)NCCSCC 240690a_100000106463_100000210188 [1,0,1,0,0,0|2,0,0]=4 3348 B15R0.149 CCCCCCCCC(=O)NCCSCC 527a_100000106463_100000210188 [1,0,1,0,0,0|2,0,0]=4 3349 B15R0.149 CCCCCCCCC(=O)NNCCCC 22a_100025702795_100000210188 [1,0,1,0,0,0|2,0,0]=4 3350 B15R0.149 CCCCCCCCC(C)CNCCCC 270004a_100000102301_100011995885 [1,0,1,0,0,0|1,0,0]=3 3351 B15R0.149 CCCCCCCCC(C)CNCCCF 270004a_100015189416_100011995885 [1,0,1,0,0,0|2,0,0]=4 3352 B15R0.149 CCCCCCCCC(C)CNCCCO 270004a_100000182051_100011995885 [1,0,1,0,0,0|2,0,0]=4 3353 B15R0.149 CCCCCCCCC(C)CNCCOC 270004a_100000209980_100011995885 [1,0,1,0,0,0|2,0,0]=4 3354 B15R0.149 CCCCCCCCC(C)CNCCSC 270004a_100020590264_100011995885 [1,0,1,0,0,0|2,0,0]=4 3355 B15R0.149 CCCCCCCCC(C)COCCCC 34a_200012125181_100000210210 [1,0,1,0,0,0|1,0,0]=3 3356 B15R0.149 CCCCCCCCC(C)COCCCC 7a_200012125181_100000210211 [1,0,1,0,0,0|1,0,0]=3 3357 B15R0.149 CCCCCCCCC(C)COCCCF 34a_200012125181_100011934791 [1,0,1,0,0,0|2,0,0]=4 3358 B15R0.149 CCCCCCCCC(C)COCCCF 7a_200012125181_100011934791 [1,0,1,0,0,0|2,0,0]=4 3359 B15R0.149 CCCCCCCCC(C)COCCCO 34a_200012125181_100000230001 [1,0,1,0,0,0|2,0,0]=4 3360 B15R0.149 CCCCCCCCC(C)COCCCO 7a_200012125181_100011215043 [1,0,1,0,0,0|2,0,0]=4 3361 B15R0.149 CCCCCCCCC(C)COCCOC 34a_200012125181_100011201679 [1,0,1,0,0,0|2,0,0]=4 3362 B15R0.149 CCCCCCCCC(C)COCCOC 7a_200012125181_100000233755 [1,0,1,0,0,0|2,0,0]=4 3363 B15R0.149 CCCCCCCCC(C)COCCSC 34a_200012125181_100000212216 [1,0,1,0,0,0|2,0,0]=4 3364 B15R0.149 CCCCCCCCC(C)COCCSC 7a_200012125181_100000212216 [1,0,1,0,0,0|2,0,0]=4 3365 B15R0.149 CCCCCCCCC(C)NCCCCC 270004a_100000209983_100011216694 [1,0,1,0,0,0|1,0,1]=4 3366 B15R0.149 CCCCCCCCC(C)OCCCCC 34a_100000210740_100000718602 [1,0,1,0,0,0|1,0,1]=4 3367 B15R0.149 CCCCCCCCC(C)OCCCCC 7a_100000210740_100000210326 [1,0,1,0,0,0|1,0,1]=4 3368 B15R0.149 CCCCCCCCN(C)CCCCCC 2230a_100000207567_100000210314 [1,0,1,0,0,0|1,0,1]=4 3369 B15R0.149 CCCCCCCCN(C)CCCCCC 2230a_106256046315_100000210759 [1,0,1,0,0,0|1,0,1]=4 3370 B15R0.149 CCCCCCCCN(C)CCCCCC 269982a_100000207567_100000210757 [1,0,1,0,0,0|1,0,1]=4 3371 B15R0.149 CCCCCCCCN(C)CCCCCC 269982a_106256046315_100000210759 [1,0,1,0,0,0|1,0,1]=4 3372 B15R0.149 CCCCCCCCN(C)COCCCC 2230a_100000207567_100011995733 [1,0,1,0,0,0|2,0,0]=4 3373 B15R0.149 CCCCCCCCN(C)COCCCC 269982a_100000207567_100011995733 [1,0,1,0,0,0|2,0,0]=4 3374 B15R0.149 CCCCCCCNC(=O)CCCCCC 11a_100000229938_100102632555 [1,0,1,0,0,0|1,0,0]=3 3375 B15R0.149 CCCCCCCNC(=O)CCCCCC 1626a_100000229938_100102632555 [1,0,1,0,0,0|1,0,0]=3 3376 B15R0.149 CCCCCCCNC(=O)CCCCCC 240690a_100000229938_100102632555 [1,0,1,0,0,0|1,0,0]=3 3377 B15R0.149 CCCCCCCNC(=O)CCCCCC 527a_100000229938_100102632555 [1,0,1,0,0,0|1,0,0]=3 3378 B15R0.149 CCCCCCCNC(=O)CCCCCO 240690a_100000229938_100102619762 [1,0,1,0,0,0|2,0,0]=4 3379 B15R0.149 CCCCCCCNC(=O)COCCCC 11a_100000229938_100000757543 [1,0,1,0,0,0|2,0,0]=4 3380 B15R0.149 CCCCCCCNC(=O)COCCCC 1626a_100000229938_100000757543 [1,0,1,0,0,0|2,0,0]=4 3381 B15R0.149 CCCCCCCNC(=O)COCCCC 240690a_100000229938_100000757543 [1,0,1,0,0,0|2,0,0]=4 3382 B15R0.149 CCCCCCCNC(=O)COCCCC 527a_100000229938_100000757543 [1,0,1,0,0,0|2,0,0]=4 3383 B15R0.149 CCCCCCCNC(=O)CSCCCC 11a_100000229938_100000191162 [1,0,1,0,0,0|2,0,0]=4 3384 B15R0.149 CCCCCCCNC(=O)CSCCCC 1626a_100000229938_100000191162 [1,0,1,0,0,0|2,0,0]=4 3385 B15R0.149 CCCCCCCNC(=O)CSCCCC 240690a_100000229938_100000191162 [1,0,1,0,0,0|2,0,0]=4 3386 B15R0.149 CCCCCCCNC(=O)CSCCCC 527a_100000229938_100000191162 [1,0,1,0,0,0|2,0,0]=4 3387 B15R0.149 CCCCCCCNC(=O)NCCCCC 2708a_100000209983_100000229938 [1,0,1,0,0,0|2,0,0]=4 3388 B15R0.149 CCCCCCCNC(=O)NCCCCC 2708a_100000229938_100000209983 [1,0,1,0,0,0|2,0,0]=4 3389 B15R0.149 CCCCCCCNC(=O)NCCCCC 273464a_100000209983_100000229938 [1,0,1,0,0,0|2,0,0]=4 3390 B15R0.149 CCCCCCCNC(=O)NCCCCC 273464a_100000229938_100000209983 [1,0,1,0,0,0|2,0,0]=4 3391 B15R0.149 CCCCCCCNC(=O)NCCCCC 512a_100000209983_100000229938 [1,0,1,0,0,0|2,0,0]=4 3392 B15R0.149 CCCCCCCNC(=O)NCCCCC 512a_100000229938_100000209983 [1,0,1,0,0,0|2,0,0]=4 3393 B15R0.149 CCCCCCCNC(C)CCCCCC 2230a_100000210919_100000210681 [1,0,1,0,0,0|1,0,1]=4 3394 B15R0.149 CCCCCCCNC(C)CCCCCC 2230a_100000229938_100011215978 [1,0,1,0,0,0|1,0,1]=4 3395 B15R0.149 CCCCCCCNC(C)CCCCCC 270004a_100000229938_100000210826 [1,0,1,0,0,0|1,0,1]=4 3396 B15R0.149 CCCCCCCNC(C)CCCCCC 34a_100000210919_100000210614 [1,0,1,0,0,0|1,0,1]=4 3397 B15R0.149 CCCCCCCOC(C)CCCCCC 34a_100000210265_100000210614 [1,0,1,0,0,0|1,0,1]=4 3398 B15R0.149 CCCCCCCOC(C)CCCCCC 34a_100000210272_100011215978 [1,0,1,0,0,0|1,0,1]=4 3399 B15R0.149 CCCCCCCOC(C)CCCCCC 7a_100000210265_100000210614 [1,0,1,0,0,0|1,0,1]=4 3400 B15R0.149 CCCCCCCOC(C)CCCCCC 7a_100000210272_100011215978 [1,0,1,0,0,0|1,0,1]=4 3401 B15R0.149 CCCCCCCOC(C)COCCCC 34a_100011217071_100000210614 [1,0,1,0,0,0|2,0,0]=4 3402 B15R0.149 CCCCCCCOC(C)COCCCC 7a_100011217071_100000210614 [1,0,1,0,0,0|2,0,0]=4 3403 B15R0.149 CCCCCCNCC(=O)NCCCCC 2230a_100000210581_100000230301 [1,0,1,0,0,0|2,0,0]=4 3404 B15R0.149 CCCCCCOCC(=O)NCCCCC 34a_100000210259_100000230301 [1,0,1,0,0,0|2,0,0]=4 3405 B15R0.149 CCCCCCOCC(=O)NCCCCC 7a_100000210259_100000230301 [1,0,1,0,0,0|2,0,0]=4 3406 B15R0.149 CCCCCCSCC(=O)NCCCCC 62a_100000210314_100000230301 [1,0,1,0,0,0|2,0,0]=4 3407 B15R0.149 CCCCCCSCC(=O)NCCCCC 62a_100000230301_100000210757 [1,0,1,0,0,0|2,0,0]=4 3408 B15R0.149 CCCCCNC(=O)CCCCCCCO 240690a_100000209983_100011219782 [1,0,1,0,0,0|2,0,0]=4 3409 B15R0.149 CCCCOCC(=O)CCCCCCCO 1458a_100000757543_100000760002 [1,0,1,0,0,0|2,0,0]=4 3410 B15R0.149 CCCCOCC(=O)CCCCCCCO 1458a_100011219782_100011995733 [1,0,1,0,0,0|2,0,0]=4 3411 B15R0.149 CCCCOCC(=O)CCCCCCOC 1458a_100000757543_100011998445 [1,0,1,0,0,0|2,0,0]=4 3412 B15R0.149 CCCCSCC(=O)CCCCCCCO 1458a_100000191162_100000760002 [1,0,1,0,0,0|2,0,0]=4 3413 B15R0.149 CCCCSCC(=O)CCCCCCOC 1458a_100000191162_100011998445 [1,0,1,0,0,0|2,0,0]=4 3414 B15R0.149 CCCOCCC(=O)CCCCCCCO 1458a_100011219782_100011215938 [1,0,1,0,0,0|2,0,0]=4 3415 B15R0.149 CCOCCCC(=O)CCCCCCCO 1458a_100011219782_100012232248 [1,0,1,0,0,0|2,0,0]=4 3416 B15R0.149 COCCCCC(=O)CCCCCCCO 1458a_100011219782_100000755781 [1,0,1,0,0,0|2,0,0]=4 3417 B15R0.149 COCCCCCCC(=O)CCCCCO 1458a_100102619762_100011998445 [1,0,1,0,0,0|2,0,0]=4 3418 B15R0.149 O=C(CCCCCF)CCCCCCCO 1458a_100011219782_100000729378 [1,0,1,0,0,0|2,0,0]=4 3419 B15R0.149 O=C(CCCCCO)CCCCCCCO 1458a_100011219782_100000746330 [1,0,1,0,0,0|2,0,0]=4 3420 B15R0.149 O=C(CCCCCO)CCCCCCCO 1458a_100102619762_100000760002 [1,0,1,0,0,0|2,0,0]=4 3421 B15R0.196 CCCCCC(=O)CN(C)CCCCCO 2230a_100000722520_200012276598 [1,0,1,0,0,0|2,0,0]=4 3422 B15R0.196 CCCCCC(=O)CN(C)CCCCCO 269982a_100000722520_200012276598 [1,0,1,0,0,0|2,0,0]=4 3423 B15R0.196 CCCCCC(C)NC(=O)CCCCCO 240690a_100000211957_100102619762 [1,0,1,0,0,0|2,0,0]=4 3424 B15R0.196 CCCCCC(C)NC(=O)CNCCCC 2230a_100000102301_100000230335 [1,0,1,0,0,0|2,0,0]=4 3425 B15R0.196 CCCCCC(C)NC(=O)CNCCCC 7a_106832991798_100000230335 [1,0,1,0,0,0|2,0,0]=4 3426 B15R0.196 CCCCCC(C)NC(=O)COCCCC 11a_100000211957_100000757543 [1,0,1,0,0,0|2,0,0]=4 3427 B15R0.196 CCCCCC(C)NC(=O)COCCCC 1626a_100000211957_100000757543 [1,0,1,0,0,0|2,0,0]=4 3428 B15R0.196 CCCCCC(C)NC(=O)COCCCC 240690a_100000211957_100000757543 [1,0,1,0,0,0|2,0,0]=4 3429 B15R0.196 CCCCCC(C)NC(=O)COCCCC 34a_100000210227_100000230335 [1,0,1,0,0,0|2,0,0]=4 3430 B15R0.196 CCCCCC(C)NC(=O)COCCCC 527a_100000211957_100000757543 [1,0,1,0,0,0|2,0,0]=4 3431 B15R0.196 CCCCCC(C)NC(=O)COCCCC 7a_100000210227_100000230335 [1,0,1,0,0,0|2,0,0]=4 3432 B15R0.196 CCCCCC(C)NC(=O)CSCCCC 11a_100000211957_100000191162 [1,0,1,0,0,0|2,0,0]=4 3433 B15R0.196 CCCCCC(C)NC(=O)CSCCCC 1626a_100000211957_100000191162 [1,0,1,0,0,0|2,0,0]=4 3434 B15R0.196 CCCCCC(C)NC(=O)CSCCCC 240690a_100000211957_100000191162 [1,0,1,0,0,0|2,0,0]=4 3435 B15R0.196 CCCCCC(C)NC(=O)CSCCCC 527a_100000211957_100000191162 [1,0,1,0,0,0|2,0,0]=4 3436 B15R0.196 CCCCCC(C)NC(=O)CSCCCC 62a_100000210211_100000230335 [1,0,1,0,0,0|2,0,0]=4 3437 B15R0.196 CCCCCC(C)NC(=O)CSCCCC 62a_100000230335_100000210210 [1,0,1,0,0,0|2,0,0]=4 3438 B15R0.196 CCCCCC(C)OC(=O)CNCCCC 2230a_100000102301_200000092394 [1,0,1,0,0,0|2,0,0]=4 3439 B15R0.196 CCCCCC(C)OC(=O)CNCCCC 7a_106832991798_200000092394 [1,0,1,0,0,0|2,0,0]=4 3440 B15R0.196 CCCCCC(C)OC(=O)COCCCC 34a_100000210227_200000092394 [1,0,1,0,0,0|2,0,0]=4 3441 B15R0.196 CCCCCC(C)OC(=O)COCCCC 7a_100000210227_200000092394 [1,0,1,0,0,0|2,0,0]=4 3442 B15R0.196 CCCCCC(C)OC(=O)CSCCCC 62a_100000210211_200000092394 [1,0,1,0,0,0|2,0,0]=4 3443 B15R0.196 CCCCCC(C)OC(=O)CSCCCC 62a_200000092394_100000210210 [1,0,1,0,0,0|2,0,0]=4 3444 B15R0.196 CCCCCCC(=O)CC(=O)CCCCC 1458a_100102632555_200012276598 [1,0,1,0,0,0|1,0,1]=4 3445 B15R0.196 CCCCCCC(=O)NC(C)CCCCC 11a_100000211957_100102632555 [1,0,1,0,0,0|1,0,0]=3 3446 B15R0.196 CCCCCCC(=O)NC(C)CCCCC 1626a_100000211957_100102632555 [1,0,1,0,0,0|1,0,0]=3 3447 B15R0.196 CCCCCCC(=O)NC(C)CCCCC 240690a_100000211957_100102632555 [1,0,1,0,0,0|1,0,0]=3 3448 B15R0.196 CCCCCCC(=O)NC(C)CCCCC 527a_100000211957_100102632555 [1,0,1,0,0,0|1,0,0]=3 3449 B15R0.196 CCCCCCC(C)NC(=O)CCCCC 11a_100000210919_100000212188 [1,0,1,0,0,0|1,0,0]=3 3450 B15R0.196 CCCCCCC(C)NC(=O)CCCCC 1626a_100000210919_100000212188 [1,0,1,0,0,0|1,0,0]=3 3451 B15R0.196 CCCCCCC(C)NC(=O)CCCCC 240690a_100000210919_100000212188 [1,0,1,0,0,0|1,0,0]=3 3452 B15R0.196 CCCCCCC(C)NC(=O)CCCCC 527a_100000210919_100000212188 [1,0,1,0,0,0|1,0,0]=3 3453 B15R0.196 CCCCCCC(C)NC(=O)CCCCO 1626a_100000210919_100000695505 [1,0,1,0,0,0|2,0,0]=4 3454 B15R0.196 CCCCCCC(C)NC(=O)CCCOC 11a_100000210919_100000741012 [1,0,1,0,0,0|2,0,0]=4 3455 B15R0.196 CCCCCCC(C)NC(=O)CCCOC 1626a_100000210919_100000741012 [1,0,1,0,0,0|2,0,0]=4 3456 B15R0.196 CCCCCCC(C)NC(=O)CCCOC 240690a_100000210919_100000741012 [1,0,1,0,0,0|2,0,0]=4 3457 B15R0.196 CCCCCCC(C)NC(=O)CCCOC 527a_100000210919_100000741012 [1,0,1,0,0,0|2,0,0]=4 3458 B15R0.196 CCCCCCC(C)NC(=O)CCCSC 11a_100000210919_100000173376 [1,0,1,0,0,0|2,0,0]=4 3459 B15R0.196 CCCCCCC(C)NC(=O)CCCSC 1626a_100000210919_100000173376 [1,0,1,0,0,0|2,0,0]=4 3460 B15R0.196 CCCCCCC(C)NC(=O)CCCSC 240690a_100000210919_100000173376 [1,0,1,0,0,0|2,0,0]=4 3461 B15R0.196 CCCCCCC(C)NC(=O)CCCSC 527a_100000210919_100000173376 [1,0,1,0,0,0|2,0,0]=4 3462 B15R0.196 CCCCCCC(C)NC(=O)CCOCC 11a_100000210919_100000749530 [1,0,1,0,0,0|2,0,0]=4 3463 B15R0.196 CCCCCCC(C)NC(=O)CCOCC 1626a_100000210919_100000749530 [1,0,1,0,0,0|2,0,0]=4 3464 B15R0.196 CCCCCCC(C)NC(=O)CCOCC 240690a_100000210919_100000749530 [1,0,1,0,0,0|2,0,0]=4 3465 B15R0.196 CCCCCCC(C)NC(=O)CCOCC 527a_100000210919_100000749530 [1,0,1,0,0,0|2,0,0]=4 3466 B15R0.196 CCCCCCC(C)NC(=O)CCSCC 11a_100000210919_100000230768 [1,0,1,0,0,0|2,0,0]=4 3467 B15R0.196 CCCCCCC(C)NC(=O)CCSCC 1626a_100000210919_100000230768 [1,0,1,0,0,0|2,0,0]=4 3468 B15R0.196 CCCCCCC(C)NC(=O)CCSCC 240690a_100000210919_100000230768 [1,0,1,0,0,0|2,0,0]=4 3469 B15R0.196 CCCCCCC(C)NC(=O)CCSCC 527a_100000210919_100000230768 [1,0,1,0,0,0|2,0,0]=4 3470 B15R0.196 CCCCCCC(C)NC(=O)COCCC 11a_100000210919_100000745993 [1,0,1,0,0,0|2,0,0]=4 3471 B15R0.196 CCCCCCC(C)NC(=O)COCCC 1626a_100000210919_100000745993 [1,0,1,0,0,0|2,0,0]=4 3472 B15R0.196 CCCCCCC(C)NC(=O)COCCC 240690a_100000210919_100000745993 [1,0,1,0,0,0|2,0,0]=4 3473 B15R0.196 CCCCCCC(C)NC(=O)COCCC 34a_100000210258_100000230341 [1,0,1,0,0,0|2,0,0]=4 3474 B15R0.196 CCCCCCC(C)NC(=O)COCCC 527a_100000210919_100000745993 [1,0,1,0,0,0|2,0,0]=4 3475 B15R0.196 CCCCCCC(C)NC(=O)CSCCC 11a_100000210919_100000217233 [1,0,1,0,0,0|2,0,0]=4 3476 B15R0.196 CCCCCCC(C)NC(=O)CSCCC 1626a_100000210919_100000217233 [1,0,1,0,0,0|2,0,0]=4 3477 B15R0.196 CCCCCCC(C)NC(=O)CSCCC 240690a_100000210919_100000217233 [1,0,1,0,0,0|2,0,0]=4 3478 B15R0.196 CCCCCCC(C)NC(=O)CSCCC 527a_100000210919_100000217233 [1,0,1,0,0,0|2,0,0]=4 3479 B15R0.196 CCCCCCC(C)NC(=O)CSCCC 62a_100000210303_100000230341 [1,0,1,0,0,0|2,0,0]=4 3480 B15R0.196 CCCCCCC(C)NC(=O)CSCCC 62a_100000230341_100000210303 [1,0,1,0,0,0|2,0,0]=4 3481 B15R0.196 CCCCCCC(C)NC(=O)NCCCC 2708a_100000102301_100000210919 [1,0,1,0,0,0|2,0,0]=4 3482 B15R0.196 CCCCCCC(C)NC(=O)NCCCC 2708a_100000210919_100000102301 [1,0,1,0,0,0|2,0,0]=4 3483 B15R0.196 CCCCCCC(C)NC(=O)NCCCC 273464a_100000102301_100000210919 [1,0,1,0,0,0|2,0,0]=4 3484 B15R0.196 CCCCCCC(C)NC(=O)NCCCC 273464a_100000210919_100000102301 [1,0,1,0,0,0|2,0,0]=4 3485 B15R0.196 CCCCCCC(C)NC(=O)NCCCC 512a_100000102301_100000210919 [1,0,1,0,0,0|2,0,0]=4 3486 B15R0.196 CCCCCCC(C)NC(=O)NCCCC 512a_100000210919_100000102301 [1,0,1,0,0,0|2,0,0]=4 3487 B15R0.196 CCCCCCN(C)CC(=O)CCCCC 2230a_106256046315_200012276598 [1,0,1,0,0,0|1,0,0]=3 3488 B15R0.196 CCCCCCN(C)CC(=O)CCCCC 269982a_106256046315_200012276598 [1,0,1,0,0,0|1,0,0]=3 3489 B15R0.196 CCCCCCN(C)CC(=O)NCCCC 2230a_106256046315_100000182744 [1,0,1,0,0,0|2,0,0]=4 3490 B15R0.196 CCCCCCN(C)CC(=O)NCCCC 2230a_200000213093_100000210314 [1,0,1,0,0,0|2,0,0]=4 3491 B15R0.196 CCCCCCN(C)CC(=O)NCCCC 269982a_106256046315_100000182744 [1,0,1,0,0,0|2,0,0]=4 3492 B15R0.196 CCCCCCN(C)CC(=O)NCCCC 269982a_200000213093_100000210757 [1,0,1,0,0,0|2,0,0]=4 3493 B15R0.196 CCCCCCN(C)CC(=O)OCCCC 2230a_106256046315_100000211628 [1,0,1,0,0,0|2,0,0]=4 3494 B15R0.196 CCCCCCN(C)CC(=O)OCCCC 269982a_106256046315_100000211628 [1,0,1,0,0,0|2,0,0]=4 3495 B15R0.196 CCCCCNC(=O)CN(C)CCCCC 2230a_100000223495_100000230301 [1,0,1,0,0,0|2,0,0]=4 3496 B15R0.196 CCCCCNC(=O)CN(C)CCCCC 269982a_100000223495_100000230301 [1,0,1,0,0,0|2,0,0]=4 3497 B15R0.196 CCCCCNC(=O)NC(C)CCCCC 2708a_100000209983_100000211957 [1,0,1,0,0,0|2,0,0]=4 3498 B15R0.196 CCCCCNC(=O)NC(C)CCCCC 2708a_100000211957_100000209983 [1,0,1,0,0,0|2,0,0]=4 3499 B15R0.196 CCCCCNC(=O)NC(C)CCCCC 273464a_100000209983_100000211957 [1,0,1,0,0,0|2,0,0]=4 3500 B15R0.196 CCCCCNC(=O)NC(C)CCCCC 273464a_100000211957_100000209983 [1,0,1,0,0,0|2,0,0]=4 3501 B15R0.196 CCCCCNC(=O)NC(C)CCCCC 512a_100000209983_100000211957 [1,0,1,0,0,0|2,0,0]=4 3502 B15R0.196 CCCCCNC(=O)NC(C)CCCCC 512a_100000211957_100000209983 [1,0,1,0,0,0|2,0,0]=4 3503 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [1,0,1,0,0,0|2,0,0]=4 3504 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [1,0,1,0,0,0|2,0,0]=4 3505 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000210711_100000730704 [1,0,1,0,0,0|2,0,0]=4 3506 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000764851_100000210320 [1,0,1,0,0,0|2,0,0]=4 3507 B15R0.164 C=C(C)CCOCCCCCCCCCC 7a_100000210711_100000730704 [1,0,1,0,0,0|2,0,0]=4 3508 B15R0.164 C=C(C)CCSCCCCCCCCCC 62a_100000730704_100000210320 [1,0,1,0,0,0|2,0,0]=4 3509 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [1,0,1,0,0,0|2,0,0]=4 3510 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [1,0,1,0,0,0|2,0,0]=4 3511 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210245_100011215454 [1,0,1,0,0,0|2,0,0]=4 3512 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210809_100000748629 [1,0,1,0,0,0|2,0,0]=4 3513 B15R0.164 C=C(C)COCCCCCCCCCCC 7a_100000210809_100000748629 [1,0,1,0,0,0|2,0,0]=4 3514 B15R0.164 C=C(C)CSCCCCCCCCCCC 62a_100000748629_100011215454 [1,0,1,0,0,0|2,0,0]=4 3515 B15R0.164 C=CCCCCCCCCCCCC(=O)C 1458a_100000070787_102130925996 [1,0,1,0,0,0|0,0,2]=4 3516 B15R0.164 C=CCCCCCCCCCCCN(C)C 2230a_100102631434_102130925996 [1,0,1,0,0,0|1,0,1]=4 3517 B15R0.164 C=CCCCCCCCCCCCN(C)C 269982a_100102631434_102130925996 [1,0,1,0,0,0|1,0,1]=4 3518 B15R0.164 C=CCCCCCCCCCCNC(C)C 2230a_100138425928_100011093070 [1,0,1,0,0,0|1,0,1]=4 3519 B15R0.164 C=CCCCCCCCCCCNC(C)C 34a_100138425928_100011093070 [1,0,1,0,0,0|1,0,1]=4 3520 B15R0.164 C=CCCCCCCCCCCOC(C)C 34a_100000212225_100011093070 [1,0,1,0,0,0|1,0,1]=4 3521 B15R0.164 C=CCCCCCCCCCCSC(C)C 62a_100000210206_100011093070 [1,0,1,0,0,0|1,0,1]=4 3522 B15R0.164 C=CCCCCCCCCCCSC(C)C 62a_100011093070_100000210206 [1,0,1,0,0,0|1,0,1]=4 3523 B15R0.164 C=CCCCCCCCCCNCC(C)C 2230a_100000081888_100000210760 [1,0,1,0,0,0|1,0,1]=4 3524 B15R0.164 C=CCCCCCCCCCNCC(C)C 2230a_100000210953_100009814027 [1,0,1,0,0,0|1,0,1]=4 3525 B15R0.164 C=CCCCCCCCCCNCC(C)C 270004a_100000081888_100000210432 [1,0,1,0,0,0|1,0,1]=4 3526 B15R0.164 C=CCCCCCCCCCNCC(C)C 34a_100000081888_100000210624 [1,0,1,0,0,0|1,0,1]=4 3527 B15R0.164 C=CCCCCCCCCCNCC(C)C 34a_100000210953_100009814027 [1,0,1,0,0,0|1,0,1]=4 3528 B15R0.164 C=CCCCCCCCCCOCC(C)C 34a_100000038209_100000210624 [1,0,1,0,0,0|1,0,1]=4 3529 B15R0.164 C=CCCCCCCCCCOCC(C)C 34a_100000210257_100009814027 [1,0,1,0,0,0|1,0,1]=4 3530 B15R0.164 C=CCCCCCCCCCOCC(C)C 7a_100000038209_100000210760 [1,0,1,0,0,0|1,0,1]=4 3531 B15R0.164 C=CCCCCCCCCCSCC(C)C 62a_100000210624_100009814027 [1,0,1,0,0,0|1,0,1]=4 3532 B15R0.164 C=CCCCCCCCCCSCC(C)C 62a_100009814027_100000210760 [1,0,1,0,0,0|1,0,1]=4 3533 B15R0.164 C=CCCCCCCCCOCCC(C)C 34a_100000210254_100011933949 [1,0,1,0,0,0|1,0,1]=4 3534 B15R0.164 C=CCCCCCCCCOCCC(C)C 34a_100011215194_100000210312 [1,0,1,0,0,0|1,0,1]=4 3535 B15R0.164 C=CCCCCCCCCOCCC(C)C 7a_100000210254_100011933949 [1,0,1,0,0,0|1,0,1]=4 3536 B15R0.164 C=CCCCCCCCCOCCC(C)C 7a_100011215194_100000210626 [1,0,1,0,0,0|1,0,1]=4 3537 B15R0.164 C=CCCCCCCCCSCCC(C)C 62a_100000210312_100011933949 [1,0,1,0,0,0|1,0,1]=4 3538 B15R0.164 C=CCCCCCCCCSCCC(C)C 62a_100011933949_100000210312 [1,0,1,0,0,0|1,0,1]=4 3539 B15R0.164 C=CCCCCCCCNCCCC(C)C 2230a_200000737386_100012355270 [1,0,1,0,0,0|1,0,1]=4 3540 B15R0.164 C=CCCCCCCCNCCCC(C)C 34a_200000737386_100012355270 [1,0,1,0,0,0|1,0,1]=4 3541 B15R0.164 C=CCCCCCCCOCCCC(C)C 34a_100000210774_100012355270 [1,0,1,0,0,0|1,0,1]=4 3542 B15R0.164 C=CCCCCCCCOCCCC(C)C 34a_100000730831_100011214892 [1,0,1,0,0,0|1,0,1]=4 3543 B15R0.164 C=CCCCCCCCOCCCC(C)C 7a_100000210774_100012355270 [1,0,1,0,0,0|1,0,1]=4 3544 B15R0.164 C=CCCCCCCCOCCCC(C)C 7a_100000730831_100011214892 [1,0,1,0,0,0|1,0,1]=4 3545 B15R0.164 C=CCCCCCCCSCCCC(C)C 62a_100011214892_100012355270 [1,0,1,0,0,0|1,0,1]=4 3546 B15R0.164 C=CCCCCCCCSCCCC(C)C 62a_100012355270_100011214892 [1,0,1,0,0,0|1,0,1]=4 3547 B15R0.164 C=CCCCCCCOCCCCC(C)C 34a_100011214890_100011215473 [1,0,1,0,0,0|1,0,1]=4 3548 B15R0.164 C=CCCCCCCOCCCCC(C)C 34a_200011216477_100011216152 [1,0,1,0,0,0|1,0,1]=4 3549 B15R0.164 C=CCCCCCCOCCCCC(C)C 7a_100011214890_100011215473 [1,0,1,0,0,0|1,0,1]=4 3550 B15R0.164 C=CCCCCCCOCCCCC(C)C 7a_200011216477_100011216152 [1,0,1,0,0,0|1,0,1]=4 3551 B15R0.164 C=CCCCCCCSCCCCC(C)C 62a_100011215473_100011216152 [1,0,1,0,0,0|1,0,1]=4 3552 B15R0.164 C=CCCCCCCSCCCCC(C)C 62a_100011216152_100011215473 [1,0,1,0,0,0|1,0,1]=4 3553 B15R0.164 C=CCCCCCNCCCCCC(C)C 2230a_100011290863_100000700193 [1,0,1,0,0,0|1,0,1]=4 3554 B15R0.164 C=CCCCCCNCCCCCC(C)C 34a_100011290863_100000700193 [1,0,1,0,0,0|1,0,1]=4 3555 B15R0.164 C=CCCCCCOCCCCCC(C)C 34a_100011216702_100000210682 [1,0,1,0,0,0|1,0,1]=4 3556 B15R0.164 C=CCCCCCOCCCCCC(C)C 34a_100011995859_100000700193 [1,0,1,0,0,0|1,0,1]=4 3557 B15R0.164 C=CCCCCCOCCCCCC(C)C 7a_100011216702_100000210682 [1,0,1,0,0,0|1,0,1]=4 3558 B15R0.164 C=CCCCCCOCCCCCC(C)C 7a_100011995859_100000700193 [1,0,1,0,0,0|1,0,1]=4 3559 B15R0.164 C=CCCCCCSCCCCCC(C)C 62a_100000210682_100000700193 [1,0,1,0,0,0|1,0,1]=4 3560 B15R0.164 C=CCCCCCSCCCCCC(C)C 62a_100000700193_100000210682 [1,0,1,0,0,0|1,0,1]=4 3561 B15R0.164 C=CCCCCNCCCCCCC(C)C 2230a_100000211014_100011215482 [1,0,1,0,0,0|1,0,1]=4 3562 B15R0.164 C=CCCCCNCCCCCCC(C)C 34a_100000211014_100011215482 [1,0,1,0,0,0|1,0,1]=4 3563 B15R0.164 C=CCCCOCCCCCCCC(C)C 34a_200000210741_100000757094 [1,0,1,0,0,0|1,0,1]=4 3564 B15R0.164 C=CCCCOCCCCCCCC(C)C 7a_200000210741_100000757094 [1,0,1,0,0,0|1,0,1]=4 3565 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [1,0,1,0,0,0|1,0,0]=3 3566 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [1,0,1,0,0,0|2,0,0]=4 3567 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [1,0,1,0,0,0|2,0,0]=4 3568 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [1,0,1,0,0,0|2,0,0]=4 3569 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [1,0,1,0,0,0|2,0,0]=4 3570 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [1,0,1,0,0,0|2,0,0]=4 3571 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [1,0,1,0,0,0|2,0,0]=4 3572 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [1,0,1,0,0,0|2,0,0]=4 3573 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [1,0,1,0,0,0|2,0,0]=4 3574 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [1,0,1,0,0,0|2,0,0]=4 3575 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [1,0,1,0,0,0|2,0,0]=4 3576 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [1,0,1,0,0,0|2,0,0]=4 3577 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [1,0,1,0,0,0|2,0,0]=4 3578 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [1,0,1,0,0,0|2,0,0]=4 3579 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [1,0,1,0,0,0|2,0,0]=4 3580 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [1,0,1,0,0,0|2,0,0]=4 3581 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [1,0,1,0,0,0|2,0,0]=4 3582 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [1,0,1,0,0,0|2,0,0]=4 3583 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [1,0,1,0,0,0|2,0,0]=4 3584 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [1,0,1,0,0,0|2,0,0]=4 3585 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [1,0,1,0,0,0|2,0,0]=4 3586 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [1,0,1,0,0,0|2,0,0]=4 3587 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [1,0,1,0,0,0|2,0,0]=4 3588 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [1,0,1,0,0,0|2,0,0]=4 3589 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [1,0,1,0,0,0|2,0,0]=4 3590 B15R0.164 CC(C)CCCCCCCOCCCC=O 7a_200000210741_200011292268 [1,0,1,0,0,0|1,0,0]=3 3591 B15R0.164 CC(C)CCCCCCCOCCCCF 34a_200000210741_100000729493 [1,0,1,0,0,0|2,0,0]=4 3592 B15R0.164 CC(C)CCCCCCCOCCCCF 7a_200000210741_100000729493 [1,0,1,0,0,0|2,0,0]=4 3593 B15R0.164 CC(C)CCCCCCCOCCCCO 34a_200000210741_100011216708 [1,0,1,0,0,0|1,0,1]=4 3594 B15R0.164 CC(C)CCCCCCCOCCCCO 7a_200000210741_100000210776 [1,0,1,0,0,0|1,0,1]=4 3595 B15R0.164 CC(C)CCCCCCNCCCCC=O 2230a_100000211014_100000139335 [1,0,1,0,0,0|1,0,0]=3 3596 B15R0.164 CC(C)CCCCCCNCCCCCF 2230a_100000211014_100000729378 [1,0,1,0,0,0|2,0,0]=4 3597 B15R0.164 CC(C)CCCCCCNCCCCCF 34a_100000211014_100000729378 [1,0,1,0,0,0|2,0,0]=4 3598 B15R0.164 CC(C)CCCCCCNCCCCCO 2230a_100000211014_100000746330 [1,0,1,0,0,0|1,0,1]=4 3599 B15R0.164 CC(C)CCCCCCNCCCCCO 34a_100000211014_100000746330 [1,0,1,0,0,0|1,0,1]=4 3600 B15R0.164 CC(C)CCCCCNCCCCCC=O 2230a_100011290863_100000139337 [1,0,1,0,0,0|1,0,0]=3 3601 B15R0.164 CC(C)CCCCCNCCCCCCF 2230a_100011290863_100015922095 [1,0,1,0,0,0|2,0,0]=4 3602 B15R0.164 CC(C)CCCCCNCCCCCCF 34a_100011290863_100015922095 [1,0,1,0,0,0|2,0,0]=4 3603 B15R0.164 CC(C)CCCCCNCCCCCCO 2230a_100000686447_100000210682 [1,0,1,0,0,0|1,0,1]=4 3604 B15R0.164 CC(C)CCCCCNCCCCCCO 2230a_100011290863_100000766143 [1,0,1,0,0,0|1,0,1]=4 3605 B15R0.164 CC(C)CCCCCNCCCCCCO 34a_100000686447_100000210682 [1,0,1,0,0,0|1,0,1]=4 3606 B15R0.164 CC(C)CCCCCNCCCCCCO 34a_100011290863_100000766143 [1,0,1,0,0,0|1,0,1]=4 3607 B15R0.164 CC(C)CCCCCOCCCCCC=O 7a_100011995859_100000139337 [1,0,1,0,0,0|1,0,0]=3 3608 B15R0.164 CC(C)CCCCCOCCCCCCBr 34a_100011215345_100000210682 [1,0,1,0,0,0|2,0,0]=4 3609 B15R0.164 CC(C)CCCCCOCCCCCCBr 7a_100011215345_100000210682 [1,0,1,0,0,0|2,0,0]=4 3610 B15R0.164 CC(C)CCCCCOCCCCCCCl 34a_100000766143_100000210682 [1,0,1,0,0,0|2,0,0]=4 3611 B15R0.164 CC(C)CCCCCOCCCCCCCl 7a_100000766143_100000210682 [1,0,1,0,0,0|2,0,0]=4 3612 B15R0.164 CC(C)CCCCCOCCCCCCF 34a_100000732779_100000210682 [1,0,1,0,0,0|2,0,0]=4 3613 B15R0.164 CC(C)CCCCCOCCCCCCF 34a_100011995859_100015922095 [1,0,1,0,0,0|2,0,0]=4 3614 B15R0.164 CC(C)CCCCCOCCCCCCF 7a_100000732779_100000210682 [1,0,1,0,0,0|2,0,0]=4 3615 B15R0.164 CC(C)CCCCCOCCCCCCF 7a_100011995859_100015922095 [1,0,1,0,0,0|2,0,0]=4 3616 B15R0.164 CC(C)CCCCCOCCCCCCN 34a_100000686447_100000210682 [1,0,1,0,0,0|2,0,0]=4 3617 B15R0.164 CC(C)CCCCCOCCCCCCO 34a_100011995859_100000766143 [1,0,1,0,0,0|1,0,1]=4 3618 B15R0.164 CC(C)CCCCCOCCCCCCO 7a_100011995859_100000766143 [1,0,1,0,0,0|1,0,1]=4 3619 B15R0.164 CC(C)CCCCCSCCCCCC=O 62a_100000139337_100000210682 [1,0,1,0,0,0|1,0,0]=3 3620 B15R0.164 CC(C)CCCCCSCCCCCC=O 62a_100000210682_100000139337 [1,0,1,0,0,0|1,0,0]=3 3621 B15R0.164 CC(C)CCCCCSCCCCCCF 62a_100000210682_100015922095 [1,0,1,0,0,0|2,0,0]=4 3622 B15R0.164 CC(C)CCCCCSCCCCCCF 62a_100015922095_100000210682 [1,0,1,0,0,0|2,0,0]=4 3623 B15R0.164 CC(C)CCCCCSCCCCCCO 62a_100000210682_100000766143 [1,0,1,0,0,0|1,0,1]=4 3624 B15R0.164 CC(C)CCCCCSCCCCCCO 62a_100000766143_100000210682 [1,0,1,0,0,0|1,0,1]=4 3625 B15R0.164 CC(C)CCCCNCCCCCCCO 2230a_100011996573_100011216152 [1,0,1,0,0,0|1,0,1]=4 3626 B15R0.164 CC(C)CCCCNCCCCCCCO 34a_100011996573_100011216152 [1,0,1,0,0,0|1,0,1]=4 3627 B15R0.164 CC(C)CCCCOCCCCCCCBr 34a_100000760002_100011216152 [1,0,1,0,0,0|2,0,0]=4 3628 B15R0.164 CC(C)CCCCOCCCCCCCBr 7a_100000760002_100011216152 [1,0,1,0,0,0|2,0,0]=4 3629 B15R0.164 CC(C)CCCCOCCCCCCCN 34a_100011996573_100011216152 [1,0,1,0,0,0|2,0,0]=4 3630 B15R0.164 CC(C)CCCCOCCCCCCCO 34a_100011214890_100000760002 [1,0,1,0,0,0|1,0,1]=4 3631 B15R0.164 CC(C)CCCCOCCCCCCCO 7a_100011214890_100000760002 [1,0,1,0,0,0|1,0,1]=4 3632 B15R0.164 CC(C)CCCCSCCCCCCCO 62a_100000760002_100011216152 [1,0,1,0,0,0|1,0,1]=4 3633 B15R0.164 CC(C)CCCCSCCCCCCCO 62a_100011216152_100000760002 [1,0,1,0,0,0|1,0,1]=4 3634 B15R0.164 CC(C)CCCNCCCCCCCCO 2230a_102515433106_100011214892 [1,0,1,0,0,0|1,0,1]=4 3635 B15R0.164 CC(C)CCCNCCCCCCCCO 2230a_200000737386_100000033203 [1,0,1,0,0,0|1,0,1]=4 3636 B15R0.164 CC(C)CCCNCCCCCCCCO 34a_102515433106_100011214892 [1,0,1,0,0,0|1,0,1]=4 3637 B15R0.164 CC(C)CCCNCCCCCCCCO 34a_200000737386_100000033203 [1,0,1,0,0,0|1,0,1]=4 3638 B15R0.164 CC(C)CCCOCCCCCCCCBr 34a_100009813846_100011214892 [1,0,1,0,0,0|2,0,0]=4 3639 B15R0.164 CC(C)CCCOCCCCCCCCBr 7a_100009813846_100011214892 [1,0,1,0,0,0|2,0,0]=4 3640 B15R0.164 CC(C)CCCOCCCCCCCCCl 34a_100000033203_100011214892 [1,0,1,0,0,0|2,0,0]=4 3641 B15R0.164 CC(C)CCCOCCCCCCCCCl 7a_100000033203_100011214892 [1,0,1,0,0,0|2,0,0]=4 3642 B15R0.164 CC(C)CCCOCCCCCCCCN 34a_102515433106_100011214892 [1,0,1,0,0,0|2,0,0]=4 3643 B15R0.164 CC(C)CCCOCCCCCCCCO 34a_100000210774_100000033203 [1,0,1,0,0,0|1,0,1]=4 3644 B15R0.164 CC(C)CCCOCCCCCCCCO 7a_100000210774_100000033203 [1,0,1,0,0,0|1,0,1]=4 3645 B15R0.164 CC(C)CCCSCCCCCCCCO 62a_100000033203_100011214892 [1,0,1,0,0,0|1,0,1]=4 3646 B15R0.164 CC(C)CCCSCCCCCCCCO 62a_100011214892_100000033203 [1,0,1,0,0,0|1,0,1]=4 3647 B15R0.164 CC(C)CCNCCCCCCCCCO 2230a_100000078944_100000210312 [1,0,1,0,0,0|1,0,1]=4 3648 B15R0.164 CC(C)CCNCCCCCCCCCO 269862a_100000078944_100000185833 [1,0,1,0,0,0|1,0,1]=4 3649 B15R0.164 CC(C)CCNCCCCCCCCCO 34a_100000078944_100000210312 [1,0,1,0,0,0|1,0,1]=4 3650 B15R0.164 CC(C)CCOCCCCCCCCCBr 34a_100009813782_100000210312 [1,0,1,0,0,0|2,0,0]=4 3651 B15R0.164 CC(C)CCOCCCCCCCCCBr 7a_100009813782_100000210626 [1,0,1,0,0,0|2,0,0]=4 3652 B15R0.164 CC(C)CCOCCCCCCCCCCl 34a_100009868337_100000210312 [1,0,1,0,0,0|2,0,0]=4 3653 B15R0.164 CC(C)CCOCCCCCCCCCCl 7a_100009868337_100000210626 [1,0,1,0,0,0|2,0,0]=4 3654 B15R0.164 CC(C)CCOCCCCCCCCCN 34a_100000078944_100000210312 [1,0,1,0,0,0|2,0,0]=4 3655 B15R0.164 CC(C)CCOCCCCCCCCCO 34a_100000210254_100009813782 [1,0,1,0,0,0|1,0,1]=4 3656 B15R0.164 CC(C)CCOCCCCCCCCCO 7a_100000210254_100009813782 [1,0,1,0,0,0|1,0,1]=4 3657 B15R0.164 CC(C)CCSCCCCCCCCCO 62a_100000210312_100009813782 [1,0,1,0,0,0|1,0,1]=4 3658 B15R0.164 CC(C)CCSCCCCCCCCCO 62a_100009813782_100000210312 [1,0,1,0,0,0|1,0,1]=4 3659 B15R0.164 CC(C)CNCCCCCCCCCCO 2230a_100000066964_100000210760 [1,0,1,0,0,0|1,0,1]=4 3660 B15R0.164 CC(C)CNCCCCCCCCCCO 2230a_100000210953_100009813290 [1,0,1,0,0,0|1,0,1]=4 3661 B15R0.164 CC(C)CNCCCCCCCCCCO 270004a_100000066964_100000210432 [1,0,1,0,0,0|1,0,1]=4 3662 B15R0.164 CC(C)CNCCCCCCCCCCO 34a_100000066964_100000210624 [1,0,1,0,0,0|1,0,1]=4 3663 B15R0.164 CC(C)CNCCCCCCCCCCO 34a_100000210953_100009813290 [1,0,1,0,0,0|1,0,1]=4 3664 B15R0.164 CC(C)COCCCCCCCCCCBr 34a_100009813290_100000210624 [1,0,1,0,0,0|2,0,0]=4 3665 B15R0.164 CC(C)COCCCCCCCCCCBr 7a_100009813290_100000210760 [1,0,1,0,0,0|2,0,0]=4 3666 B15R0.164 CC(C)COCCCCCCCCCCCl 34a_200000033068_100000210624 [1,0,1,0,0,0|2,0,0]=4 3667 B15R0.164 CC(C)COCCCCCCCCCCCl 7a_200000033068_100000210760 [1,0,1,0,0,0|2,0,0]=4 3668 B15R0.164 CC(C)COCCCCCCCCCCN 34a_100000066964_100000210624 [1,0,1,0,0,0|2,0,0]=4 3669 B15R0.164 CC(C)COCCCCCCCCCCO 34a_100000210257_100009813290 [1,0,1,0,0,0|1,0,1]=4 3670 B15R0.164 CC(C)COCCCNCCCCCC=O 2230a_100000205972_100000139337 [1,0,1,0,0,0|2,0,0]=4 3671 B15R0.164 CC(C)CSCCCCCCCCCCO 62a_100000210624_200000033068 [1,0,1,0,0,0|1,0,1]=4 3672 B15R0.164 CC(C)CSCCCCCCCCCCO 62a_100009813290_100000210760 [1,0,1,0,0,0|1,0,1]=4 3673 B15R0.164 CC(C)NCCCCCCCCCCCO 2230a_100138425928_100009812471 [1,0,1,0,0,0|1,0,1]=4 3674 B15R0.164 CC(C)NCCCCCCCCCCCO 34a_100138425928_100009812471 [1,0,1,0,0,0|1,0,1]=4 3675 B15R0.164 CC(C)OCCCCCCCCCCCBr 34a_100009812471_100000210206 [1,0,1,0,0,0|2,0,0]=4 3676 B15R0.164 CC(C)OCCCCCCCCCCCBr 7a_100009812471_100000210206 [1,0,1,0,0,0|2,0,0]=4 3677 B15R0.164 CC(C)OCCCCCCCCCCCO 34a_100000212225_100009812471 [1,0,1,0,0,0|1,0,1]=4 3678 B15R0.164 CC(C)SCCCCCCCCCCCO 62a_100009812471_100000210206 [1,0,1,0,0,0|1,0,1]=4 3679 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000070787_100000210684 [1,0,1,0,0,0|0,0,0]=2 3680 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000756256_200000210301 [1,0,1,0,0,0|0,0,0]=2 3681 B15R0.164 CCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000756256_200025704644 [1,0,1,0,0,0|0,0,0]=2 3682 B15R0.164 CCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210684 [1,0,1,0,0,0|1,0,1]=4 3683 B15R0.164 CCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210684 [1,0,1,0,0,0|1,0,1]=4 3684 B15R0.164 CCCCCCCCCCCCCN(C)C 270004a_100102631434_200011215488 [1,0,1,0,0,0|1,0,1]=4 3685 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [1,0,1,0,0,0|1,0,0]=3 3686 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [1,0,1,0,0,0|1,0,0]=3 3687 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [1,0,1,0,0,0|1,0,0]=3 3688 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [1,0,1,0,0,0|1,0,0]=3 3689 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100000210451_100000210206 [1,0,1,0,0,0|1,0,1]=4 3690 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215052 [1,0,1,0,0,0|1,0,1]=4 3691 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100000210451_100000210206 [1,0,1,0,0,0|1,0,1]=4 3692 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100138425928_100000759014 [1,0,1,0,0,0|1,0,1]=4 3693 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000210810_100000210206 [1,0,1,0,0,0|1,0,1]=4 3694 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000212225_100000759014 [1,0,1,0,0,0|1,0,1]=4 3695 B15R0.164 CCCCCCCCCCCCOC(C)C 7a_100000210810_100000210206 [1,0,1,0,0,0|1,0,1]=4 3696 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [1,0,1,0,0,0|2,0,0]=4 3697 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [1,0,1,0,0,0|2,0,0]=4 3698 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [1,0,1,0,0,0|2,0,0]=4 3699 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [1,0,1,0,0,0|2,0,0]=4 3700 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [1,0,1,0,0,0|2,0,0]=4 3701 B15R0.164 CCCCCCCCCCCNCC(C)C 2230a_100000210953_100011215454 [1,0,1,0,0,0|1,0,0]=3 3702 B15R0.164 CCCCCCCCCCCNCC(C)C 2230a_200011215754_100000210760 [1,0,1,0,0,0|1,0,0]=3 3703 B15R0.164 CCCCCCCCCCCNCC(C)C 270004a_200011215754_100000210432 [1,0,1,0,0,0|1,0,0]=3 3704 B15R0.164 CCCCCCCCCCCNCC(C)C 34a_100000210953_100011215454 [1,0,1,0,0,0|1,0,0]=3 3705 B15R0.164 CCCCCCCCCCCNCC(C)C 34a_200011215754_100000210624 [1,0,1,0,0,0|1,0,0]=3 3706 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [1,0,1,0,0,0|2,0,0]=4 3707 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [1,0,1,0,0,0|2,0,0]=4 3708 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [1,0,1,0,0,0|2,0,0]=4 3709 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [1,0,1,0,0,0|2,0,0]=4 3710 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [1,0,1,0,0,0|2,0,0]=4 3711 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [1,0,1,0,0,0|2,0,0]=4 3712 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [1,0,1,0,0,0|1,0,0]=3 3713 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [1,0,1,0,0,0|2,0,0]=4 3714 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [1,0,1,0,0,0|2,0,0]=4 3715 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [1,0,1,0,0,0|2,0,0]=4 3716 B15R0.164 CCCCCCCCCCCOCC(C)Br 34a_100012180447_100011215454 [1,0,1,0,0,0|2,0,0]=4 3717 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210257_100011215454 [1,0,1,0,0,0|1,0,0]=3 3718 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210809_100000210624 [1,0,1,0,0,0|1,0,0]=3 3719 B15R0.164 CCCCCCCCCCCOCC(C)C 7a_100000210809_100000210760 [1,0,1,0,0,0|1,0,0]=3 3720 B15R0.164 CCCCCCCCCCCOCC(C)F 34a_100015925927_100011215454 [1,0,1,0,0,0|2,0,0]=4 3721 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [1,0,1,0,0,0|2,0,0]=4 3722 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [1,0,1,0,0,0|2,0,0]=4 3723 B15R0.164 CCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215454 [1,0,1,0,0,0|2,0,0]=4 3724 B15R0.164 CCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011215454 [1,0,1,0,0,0|2,0,0]=4 3725 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [1,0,1,0,0,0|2,0,0]=4 3726 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [1,0,1,0,0,0|2,0,0]=4 3727 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [1,0,1,0,0,0|2,0,0]=4 3728 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [1,0,1,0,0,0|2,0,0]=4 3729 B15R0.164 CCCCCCCCCCCSCC(C)C 62a_100000210624_100011215454 [1,0,1,0,0,0|1,0,0]=3 3730 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [1,0,1,0,0,0|2,0,0]=4 3731 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [1,0,1,0,0,0|2,0,0]=4 3732 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [1,0,1,0,0,0|2,0,0]=4 3733 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [1,0,1,0,0,0|2,0,0]=4 3734 B15R0.164 CCCCCCCCCCNCCC(C)C 2230a_100000684558_100000210312 [1,0,1,0,0,0|1,0,1]=4 3735 B15R0.164 CCCCCCCCCCNCCC(C)C 269862a_100000684558_100000185833 [1,0,1,0,0,0|1,0,1]=4 3736 B15R0.164 CCCCCCCCCCNCCC(C)C 34a_100000684558_100000210312 [1,0,1,0,0,0|1,0,1]=4 3737 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [1,0,1,0,0,0|2,0,0]=4 3738 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [1,0,1,0,0,0|1,0,0]=3 3739 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [1,0,1,0,0,0|1,0,0]=3 3740 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [1,0,1,0,0,0|1,0,0]=3 3741 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [1,0,1,0,0,0|2,0,0]=4 3742 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [1,0,1,0,0,0|2,0,0]=4 3743 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [1,0,1,0,0,0|2,0,0]=4 3744 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [1,0,1,0,0,0|2,0,0]=4 3745 B15R0.164 CCCCCCCCCCOCCC(C)C 34a_100000210254_100000210320 [1,0,1,0,0,0|1,0,1]=4 3746 B15R0.164 CCCCCCCCCCOCCC(C)C 34a_100000210711_100000210312 [1,0,1,0,0,0|1,0,1]=4 3747 B15R0.164 CCCCCCCCCCOCCC(C)C 7a_100000210254_100000210320 [1,0,1,0,0,0|1,0,1]=4 3748 B15R0.164 CCCCCCCCCCOCCC(C)C 7a_100000210711_100000210626 [1,0,1,0,0,0|1,0,1]=4 3749 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [1,0,1,0,0,0|2,0,0]=4 3750 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [1,0,1,0,0,0|1,0,0]=3 3751 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [1,0,1,0,0,0|2,0,0]=4 3752 B15R0.164 CCCCCCCCCCSCCC(C)C 62a_100000210312_100000210320 [1,0,1,0,0,0|1,0,1]=4 3753 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [1,0,1,0,0,0|2,0,0]=4 3754 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [1,0,1,0,0,0|1,0,0]=3 3755 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [1,0,1,0,0,0|2,0,0]=4 3756 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [1,0,1,0,0,0|2,0,0]=4 3757 B15R0.164 CCCCCCCCCNCCCC(C)C 2230a_100000212291_100011214892 [1,0,1,0,0,0|1,0,1]=4 3758 B15R0.164 CCCCCCCCCNCCCC(C)C 2230a_200000737386_100011214924 [1,0,1,0,0,0|1,0,1]=4 3759 B15R0.164 CCCCCCCCCNCCCC(C)C 34a_100000212291_100011214892 [1,0,1,0,0,0|1,0,1]=4 3760 B15R0.164 CCCCCCCCCNCCCC(C)C 34a_200000737386_100011214924 [1,0,1,0,0,0|1,0,1]=4 3761 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [1,0,1,0,0,0|2,0,0]=4 3762 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [1,0,1,0,0,0|2,0,0]=4 3763 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [1,0,1,0,0,0|2,0,0]=4 3764 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [1,0,1,0,0,0|2,0,0]=4 3765 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [1,0,1,0,0,0|1,0,0]=3 3766 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [1,0,1,0,0,0|1,0,0]=3 3767 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [1,0,1,0,0,0|1,0,0]=3 3768 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [1,0,1,0,0,0|1,0,0]=3 3769 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [1,0,1,0,0,0|2,0,0]=4 3770 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [1,0,1,0,0,0|2,0,0]=4 3771 B15R0.164 CCCCCCCCCOCCCC(C)C 34a_100000210712_100011214892 [1,0,1,0,0,0|1,0,1]=4 3772 B15R0.164 CCCCCCCCCOCCCC(C)C 34a_100000210774_100011214924 [1,0,1,0,0,0|1,0,1]=4 3773 B15R0.164 CCCCCCCCCOCCCC(C)C 7a_100000210712_100011214892 [1,0,1,0,0,0|1,0,1]=4 3774 B15R0.164 CCCCCCCCCOCCCC(C)C 7a_100000210774_100000210328 [1,0,1,0,0,0|1,0,1]=4 3775 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [1,0,1,0,0,0|2,0,0]=4 3776 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [1,0,1,0,0,0|2,0,0]=4 3777 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [1,0,1,0,0,0|2,0,0]=4 3778 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [1,0,1,0,0,0|2,0,0]=4 3779 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [1,0,1,0,0,0|1,0,0]=3 3780 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [1,0,1,0,0,0|2,0,0]=4 3781 B15R0.164 CCCCCCCCCSCCCC(C)C 62a_100011214892_100000210670 [1,0,1,0,0,0|1,0,1]=4 3782 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [1,0,1,0,0,0|2,0,0]=4 3783 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [1,0,1,0,0,0|2,0,0]=4 3784 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [1,0,1,0,0,0|1,0,0]=3 3785 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [1,0,1,0,0,0|2,0,0]=4 3786 B15R0.164 CCCCCCCCNCCCCC(C)C 2230a_100000229939_100011216152 [1,0,1,0,0,0|1,0,1]=4 3787 B15R0.164 CCCCCCCCNCCCCC(C)C 34a_100000229939_100011216152 [1,0,1,0,0,0|1,0,1]=4 3788 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [1,0,1,0,0,0|2,0,0]=4 3789 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [1,0,1,0,0,0|2,0,0]=4 3790 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [1,0,1,0,0,0|2,0,0]=4 3791 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [1,0,1,0,0,0|2,0,0]=4 3792 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [1,0,1,0,0,0|1,0,0]=3 3793 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [1,0,1,0,0,0|1,0,0]=3 3794 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [1,0,1,0,0,0|2,0,0]=4 3795 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [1,0,1,0,0,0|2,0,0]=4 3796 B15R0.164 CCCCCCCCOCCCCC(C)C 34a_100000210232_100011216152 [1,0,1,0,0,0|1,0,1]=4 3797 B15R0.164 CCCCCCCCOCCCCC(C)C 34a_100011214890_100000210759 [1,0,1,0,0,0|1,0,1]=4 3798 B15R0.164 CCCCCCCCOCCCCC(C)C 7a_100000210232_100011216152 [1,0,1,0,0,0|1,0,1]=4 3799 B15R0.164 CCCCCCCCOCCCCC(C)C 7a_100011214890_100000210759 [1,0,1,0,0,0|1,0,1]=4 3800 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [1,0,1,0,0,0|2,0,0]=4 3801 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [1,0,1,0,0,0|2,0,0]=4 3802 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [1,0,1,0,0,0|2,0,0]=4 3803 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [1,0,1,0,0,0|2,0,0]=4 3804 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [1,0,1,0,0,0|2,0,0]=4 3805 B15R0.164 CCCCCCCCOCCNCC(C)C 34a_100015185251_100000210759 [1,0,1,0,0,0|2,0,0]=4 3806 B15R0.164 CCCCCCCCOCCOCC(C)C 34a_100000703358_100000210759 [1,0,1,0,0,0|2,0,0]=4 3807 B15R0.164 CCCCCCCCOCCOCC(C)C 7a_100000703358_100000210759 [1,0,1,0,0,0|2,0,0]=4 3808 B15R0.164 CCCCCCCCOCCSCC(C)C 34a_200000230437_100000210759 [1,0,1,0,0,0|2,0,0]=4 3809 B15R0.164 CCCCCCCCOCCSCC(C)C 7a_200000230437_100000210759 [1,0,1,0,0,0|2,0,0]=4 3810 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [1,0,1,0,0,0|1,0,0]=3 3811 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [1,0,1,0,0,0|1,0,0]=3 3812 B15R0.164 CCCCCCCCSCCCCC(C)C 62a_100000210759_100011216152 [1,0,1,0,0,0|1,0,1]=4 3813 B15R0.164 CCCCCCCCSCCCCC(C)C 62a_100011216152_100000210317 [1,0,1,0,0,0|1,0,1]=4 3814 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [1,0,1,0,0,0|2,0,0]=4 3815 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [1,0,1,0,0,0|2,0,0]=4 3816 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [1,0,1,0,0,0|2,0,0]=4 3817 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [1,0,1,0,0,0|2,0,0]=4 3818 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [1,0,1,0,0,0|2,0,0]=4 3819 B15R0.164 CCCCCCCNCCCCCC(C)C 2230a_100000229938_100000210682 [1,0,1,0,0,0|1,0,1]=4 3820 B15R0.164 CCCCCCCNCCCCCC(C)C 2230a_100011290863_100000210681 [1,0,1,0,0,0|1,0,1]=4 3821 B15R0.164 CCCCCCCNCCCCCC(C)C 34a_100011290863_100000210614 [1,0,1,0,0,0|1,0,1]=4 3822 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [1,0,1,0,0,0|2,0,0]=4 3823 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [1,0,1,0,0,0|2,0,0]=4 3824 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [1,0,1,0,0,0|2,0,0]=4 3825 B15R0.164 CCCCCCCNCCCOCC(C)C 2230a_100000205972_100000210681 [1,0,1,0,0,0|2,0,0]=4 3826 B15R0.164 CCCCCCCNCCCOCC(C)C 34a_100000205972_100000210614 [1,0,1,0,0,0|2,0,0]=4 3827 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [1,0,1,0,0,0|2,0,0]=4 3828 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [1,0,1,0,0,0|2,0,0]=4 3829 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [1,0,1,0,0,0|2,0,0]=4 3830 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [1,0,1,0,0,0|2,0,0]=4 3831 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [1,0,1,0,0,0|2,0,0]=4 3832 B15R0.164 CCCCCCCOCCCCCC(C)C 34a_100000210272_100000210682 [1,0,1,0,0,0|1,0,1]=4 3833 B15R0.164 CCCCCCCOCCCCCC(C)C 34a_100011995859_100000210614 [1,0,1,0,0,0|1,0,1]=4 3834 B15R0.164 CCCCCCCOCCCCCC(C)C 7a_100000210272_100000210682 [1,0,1,0,0,0|1,0,1]=4 3835 B15R0.164 CCCCCCCOCCCCCC(C)C 7a_100011995859_100000210614 [1,0,1,0,0,0|1,0,1]=4 3836 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [1,0,1,0,0,0|2,0,0]=4 3837 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [1,0,1,0,0,0|2,0,0]=4 3838 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [1,0,1,0,0,0|2,0,0]=4 3839 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [1,0,1,0,0,0|2,0,0]=4 3840 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [1,0,1,0,0,0|2,0,0]=4 3841 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [1,0,1,0,0,0|2,0,0]=4 3842 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [1,0,1,0,0,0|2,0,0]=4 3843 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [1,0,1,0,0,0|2,0,0]=4 3844 B15R0.164 CCCCCCCSCCCCCC(C)C 62a_100000210614_100000210682 [1,0,1,0,0,0|1,0,1]=4 3845 B15R0.164 CCCCCCCSCCCCCC(C)C 62a_100000210682_100000210316 [1,0,1,0,0,0|1,0,1]=4 3846 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [1,0,1,0,0,0|2,0,0]=4 3847 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [1,0,1,0,0,0|2,0,0]=4 3848 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [1,0,1,0,0,0|2,0,0]=4 3849 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [1,0,1,0,0,0|2,0,0]=4 3850 B15R0.164 CCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210314 [1,0,1,0,0,0|1,0,1]=4 3851 B15R0.164 CCCCCCNCCCCCCC(C)C 34a_100000211014_100000210314 [1,0,1,0,0,0|1,0,1]=4 3852 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [1,0,1,0,0,0|2,0,0]=4 3853 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [1,0,1,0,0,0|2,0,0]=4 3854 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [1,0,1,0,0,0|2,0,0]=4 3855 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [1,0,1,0,0,0|2,0,0]=4 3856 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [1,0,1,0,0,0|2,0,0]=4 3857 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [1,0,1,0,0,0|2,0,0]=4 3858 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [1,0,1,0,0,0|2,0,0]=4 3859 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [1,0,1,0,0,0|2,0,0]=4 3860 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [1,0,1,0,0,0|2,0,0]=4 3861 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [1,0,1,0,0,0|2,0,0]=4 3862 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [1,0,1,0,0,0|2,0,0]=4 3863 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [1,0,1,0,0,0|2,0,0]=4 3864 B15R0.164 CCCCCOCCCCCCCC(C)C 34a_200000210741_100000718602 [1,0,1,0,0,0|1,0,1]=4 3865 B15R0.164 CCCCCOCCCCCCCC(C)C 7a_200000210741_100000210326 [1,0,1,0,0,0|1,0,1]=4 3866 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [1,0,1,0,0,0|2,0,0]=4 3867 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [1,0,1,0,0,0|2,0,0]=4 3868 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [1,0,1,0,0,0|2,0,0]=4 3869 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [1,0,1,0,0,0|2,0,0]=4 3870 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [1,0,1,0,0,0|2,0,0]=4 3871 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [1,0,1,0,0,0|2,0,0]=4 3872 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [1,0,1,0,0,0|2,0,0]=4 3873 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [1,0,1,0,0,0|2,0,0]=4 3874 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [1,0,1,0,0,0|2,0,0]=4 3875 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [1,0,1,0,0,0|2,0,0]=4 3876 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [1,0,1,0,0,0|2,0,0]=4 3877 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [1,0,1,0,0,0|2,0,0]=4 3878 B15R0.164 CN(C)CCCCCCCCCCCCO 2230a_100102631434_100009813331 [1,0,1,0,0,0|1,0,1]=4 3879 B15R0.164 CN(C)CCCCCCCCCCCCO 269982a_100102631434_100009813331 [1,0,1,0,0,0|1,0,1]=4 3880 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [1,0,1,0,0,0|2,0,0]=4 3881 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [1,0,1,0,0,0|2,0,0]=4 3882 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [1,0,1,0,0,0|2,0,0]=4 3883 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [1,0,1,0,0,0|2,0,0]=4 3884 B15R0.69 C#CCCCCCCCCC(=O)CC(C)C 1458a_100000029693_100000210624 [1,0,1,0,0,0|0,0,2]=4 3885 B15R0.69 C=C(C)CC(=O)CCCCCCCCCC 1458a_100000210375_100000748629 [1,0,1,0,0,0|0,0,2]=4 3886 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000207566_100000748629 [1,0,1,0,0,0|2,0,0]=4 3887 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000225649_100000210320 [1,0,1,0,0,0|2,0,0]=4 3888 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000207566_100000748629 [1,0,1,0,0,0|2,0,0]=4 3889 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000225649_100000210320 [1,0,1,0,0,0|2,0,0]=4 3890 B15R0.69 C=CCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011933949 [1,0,1,0,0,0|0,0,2]=4 3891 B15R0.69 C=CCCCCCCCCC(=O)CC(C)C 1458a_100000211349_100000210624 [1,0,1,0,0,0|0,0,2]=4 3892 B15R0.69 CC#CCCCCCCCC(=O)CC(C)C 1458a_100000066323_100000210624 [1,0,1,0,0,0|0,0,2]=4 3893 B15R0.69 CC(C)CC(=O)CCCCCCCCCF 1458a_200009909015_100000210624 [1,0,1,0,0,0|1,0,0]=3 3894 B15R0.69 CC(C)CC(=O)CCCCCCCCCO 1458a_100000210554_100009813782 [1,0,1,0,0,0|1,0,0]=3 3895 B15R0.69 CC(C)CC(=O)NCCCCCCCCO 240690a_102515433106_100000210554 [1,0,1,0,0,0|2,0,0]=4 3896 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 11a_100138425928_200009909015 [1,0,1,0,0,0|2,0,0]=4 3897 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 240690a_100138425928_200009909015 [1,0,1,0,0,0|2,0,0]=4 3898 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 527a_100138425928_200009909015 [1,0,1,0,0,0|2,0,0]=4 3899 B15R0.69 CC(C)NC(=O)CCCCCCCCCO 240690a_100138425928_100000032657 [1,0,1,0,0,0|2,0,0]=4 3900 B15R0.69 CC(O)CC(=O)CCCCCCCCCF 1458a_200009909015_100011218427 [1,0,1,0,0,0|2,0,0]=4 3901 B15R0.69 CCC#CCCCCCCC(=O)CC(C)C 1458a_100000210554_200000036426 [1,0,1,0,0,0|0,0,2]=4 3902 B15R0.69 CCCCCCCCC=CC(=O)CC(C)C 1458a_100015345288_100000210624 [1,0,1,0,0,0|0,0,2]=4 3903 B15R0.69 CCCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210319 [1,0,1,0,0,0|0,0,2]=4 3904 B15R0.69 CCCCCCCCCCC(=O)CC(C)C 1458a_100000210375_100000210624 [1,0,1,0,0,0|0,0,0]=2 3905 B15R0.69 CCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210319 [1,0,1,0,0,0|0,0,0]=2 3906 B15R0.69 CCCCCCCCCCC(=O)CC(C)O 1458a_100000210375_100011218427 [1,0,1,0,0,0|1,0,0]=3 3907 B15R0.69 CCCCCCCCCCC(=O)CC(F)F 1458a_100000210375_100011934356 [1,0,1,0,0,0|2,0,0]=4 3908 B15R0.69 CCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210319 [1,0,1,0,0,0|1,0,0]=3 3909 B15R0.69 CCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210319 [1,0,1,0,0,0|1,0,0]=3 3910 B15R0.69 CCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210319 [1,0,1,0,0,0|1,0,0]=3 3911 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210375 [1,0,1,0,0,0|1,0,0]=3 3912 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210375 [1,0,1,0,0,0|1,0,0]=3 3913 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210375 [1,0,1,0,0,0|1,0,0]=3 3914 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000207566_100000747473 [1,0,1,0,0,0|2,0,0]=4 3915 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210320 [1,0,1,0,0,0|2,0,0]=4 3916 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 269982a_100000207566_100000187820 [1,0,1,0,0,0|2,0,0]=4 3917 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [1,0,1,0,0,0|2,0,0]=4 3918 B15R0.69 CCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000207566_100020667443 [1,0,1,0,0,0|2,0,0]=4 3919 B15R0.69 CCCCCCCCCCN(C)CC(C)C 2230a_100000207566_100000210760 [1,0,1,0,0,0|2,0,0]=4 3920 B15R0.69 CCCCCCCCCCN(C)CC(C)C 2230a_100000747067_100000210320 [1,0,1,0,0,0|2,0,0]=4 3921 B15R0.69 CCCCCCCCCCN(C)CC(C)C 269982a_100000207566_100000210624 [1,0,1,0,0,0|2,0,0]=4 3922 B15R0.69 CCCCCCCCCCN(C)CC(C)C 269982a_100000747067_100000210320 [1,0,1,0,0,0|2,0,0]=4 3923 B15R0.69 CCCCCCCCCCN(C)CC(C)C 270004a_100000207566_100000210432 [1,0,1,0,0,0|2,0,0]=4 3924 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 11a_100000212291_100000210554 [1,0,1,0,0,0|1,0,0]=3 3925 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 1626a_100000212291_100000210554 [1,0,1,0,0,0|1,0,0]=3 3926 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 240690a_100000212291_100000210554 [1,0,1,0,0,0|1,0,0]=3 3927 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 527a_100000212291_100000210554 [1,0,1,0,0,0|1,0,0]=3 3928 B15R0.69 CCCCCCCCCNC(=O)CN(C)C 11a_100000212291_100000750896 [1,0,1,0,0,0|2,0,0]=4 3929 B15R0.69 CCCCCCCCCNC(=O)CN(C)C 240690a_100000212291_100000750896 [1,0,1,0,0,0|2,0,0]=4 3930 B15R0.69 CCCCCCCCCNC(=O)CN(C)C 527a_100000212291_100000750896 [1,0,1,0,0,0|2,0,0]=4 3931 B15R0.69 CCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000212291_100011933948 [1,0,1,0,0,0|2,0,0]=4 3932 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 11a_100000212291_200159257847 [1,0,1,0,0,0|2,0,0]=4 3933 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 1626a_100000212291_200159257847 [1,0,1,0,0,0|2,0,0]=4 3934 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 240690a_100000212291_200159257847 [1,0,1,0,0,0|2,0,0]=4 3935 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 527a_100000212291_200159257847 [1,0,1,0,0,0|2,0,0]=4 3936 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 2708a_100000212291_100138425928 [1,0,1,0,0,0|2,0,0]=4 3937 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000212291 [1,0,1,0,0,0|2,0,0]=4 3938 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000212291 [1,0,1,0,0,0|2,0,0]=4 3939 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 512a_100000212291_100138425928 [1,0,1,0,0,0|2,0,0]=4 3940 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000212291 [1,0,1,0,0,0|2,0,0]=4 3941 B15R0.69 CCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210670 [1,0,1,0,0,0|2,0,0]=4 3942 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210759 [1,0,1,0,0,0|2,0,0]=4 3943 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 2230a_100000229939_100000183996 [1,0,1,0,0,0|2,0,0]=4 3944 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 34a_100000229939_100000183996 [1,0,1,0,0,0|2,0,0]=4 3945 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 2230a_100000229939_100011215430 [1,0,1,0,0,0|2,0,0]=4 3946 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 34a_100000229939_100011215430 [1,0,1,0,0,0|2,0,0]=4 3947 B15R0.69 CCCCCCCCOCC(=O)CC(C)C 1458a_100000759886_100000210624 [1,0,1,0,0,0|1,0,0]=3 3948 B15R0.69 CCCCCCCCOCC(=O)CC(C)O 1458a_100000759886_100011218427 [1,0,1,0,0,0|2,0,0]=4 3949 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 11a_100138425928_100000759886 [1,0,1,0,0,0|2,0,0]=4 3950 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 1626a_100138425928_100000759886 [1,0,1,0,0,0|2,0,0]=4 3951 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 240690a_100138425928_100000759886 [1,0,1,0,0,0|2,0,0]=4 3952 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 34a_100000210232_100000183996 [1,0,1,0,0,0|2,0,0]=4 3953 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 527a_100138425928_100000759886 [1,0,1,0,0,0|2,0,0]=4 3954 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 7a_100000210232_100000183996 [1,0,1,0,0,0|2,0,0]=4 3955 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 34a_100000210232_100011215430 [1,0,1,0,0,0|2,0,0]=4 3956 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 7a_100000210232_100011215430 [1,0,1,0,0,0|2,0,0]=4 3957 B15R0.69 CCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210317 [1,0,1,0,0,0|2,0,0]=4 3958 B15R0.69 CCCCCCCCSCC(=O)NC(C)C 62a_100000210759_100000183996 [1,0,1,0,0,0|2,0,0]=4 3959 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100000210759_100011215430 [1,0,1,0,0,0|2,0,0]=4 3960 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210317 [1,0,1,0,0,0|2,0,0]=4 3961 B15R0.69 CCCCCCCNCCC(=O)NC(C)C 2230a_100000229938_100000737564 [1,0,1,0,0,0|2,0,0]=4 3962 B15R0.69 CCCCCCCNCCC(=O)OC(C)C 2230a_100000229938_100000760027 [1,0,1,0,0,0|2,0,0]=4 3963 B15R0.69 CCCCCCCOCCC(=O)NC(C)C 7a_100000210272_100000737564 [1,0,1,0,0,0|2,0,0]=4 3964 B15R0.69 CCCCCCCOCCC(=O)OC(C)C 7a_100000210272_100000760027 [1,0,1,0,0,0|2,0,0]=4 3965 B15R0.69 CCCCCCCSCCC(=O)NC(C)C 62a_100000210614_100000737564 [1,0,1,0,0,0|2,0,0]=4 3966 B15R0.69 CCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210316 [1,0,1,0,0,0|2,0,0]=4 3967 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000210614_100000760027 [1,0,1,0,0,0|2,0,0]=4 3968 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210316 [1,0,1,0,0,0|2,0,0]=4 3969 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 2230a_100000102301_200010986244 [1,0,1,0,0,0|2,0,0]=4 3970 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 7a_106832991798_200010986244 [1,0,1,0,0,0|2,0,0]=4 3971 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 34a_100000210227_200010986244 [1,0,1,0,0,0|2,0,0]=4 3972 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 7a_100000210227_200010986244 [1,0,1,0,0,0|2,0,0]=4 3973 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_100000210211_200010986244 [1,0,1,0,0,0|2,0,0]=4 3974 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210210 [1,0,1,0,0,0|2,0,0]=4 3975 B15R0.69 CN(C)CC(=O)CCCCCCCCCO 1458a_100000750896_100009813782 [1,0,1,0,0,0|2,0,0]=4 3976 B15R0.69 C[C@@H](O)CC(=O)CCCCCCCCCO 1458a_100011933948_100009813782 [1,0,1,0,0,0|2,0,0]=4 3977 B15R0.69 C[S+](C)CC(=O)CCCCCCCCCO 1458a_200159257847_100009813782 [1,0,1,0,0,0|2,0,0]=4 3978 B15R0.2002 C#CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000753159 [1,0,1,0,0,0|0,0,2]=4 3979 B15R0.2002 C#CCCC(=O)CCCCCCCCCC 1458a_100000692101_100000210319 [1,0,1,0,0,0|0,0,2]=4 3980 B15R0.2002 C#CCCCCCCCCC(=O)CCCC 1458a_100000029693_100000210211 [1,0,1,0,0,0|0,0,2]=4 3981 B15R0.2002 C/C=C/CC(=O)CCCCCCCCCC 1458a_100000210375_100102629194 [1,0,1,0,0,0|0,0,2]=4 3982 B15R0.2002 C/C=C/CN(C)CCCCCCCCCC 269982a_100000207566_100102629194 [1,0,1,0,0,0|1,0,1]=4 3983 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000754431 [1,0,1,0,0,0|0,0,2]=4 3984 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000749702_100000210319 [1,0,1,0,0,0|0,0,2]=4 3985 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000210183_100011933949 [1,0,1,0,0,0|0,0,2]=4 3986 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000211349_100000210211 [1,0,1,0,0,0|0,0,2]=4 3987 B15R0.2002 CC#CCC(=O)CCCCCCCCCC 1458a_100000210375_100000748600 [1,0,1,0,0,0|0,0,2]=4 3988 B15R0.2002 CC#CCCCCCCCC(=O)CCCC 1458a_100000066323_100000210211 [1,0,1,0,0,0|0,0,2]=4 3989 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000070051 [1,0,1,0,0,0|0,0,2]=4 3990 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100121576822_100000210319 [1,0,1,0,0,0|0,0,2]=4 3991 B15R0.2002 CC=CCN(C)CCCCCCCCCC 2230a_100000207566_100000070051 [1,0,1,0,0,0|1,0,1]=4 3992 B15R0.2002 CCC#CC(=O)CCCCCCCCCC 1458a_100011827653_100000210319 [1,0,1,0,0,0|0,0,2]=4 3993 B15R0.2002 CCC#CCCCCCCC(=O)CCCC 1458a_100000210183_200000036426 [1,0,1,0,0,0|0,0,2]=4 3994 B15R0.2002 CCC=CC(=O)CCCCCCCCCC 1458a_100000212282_100000210319 [1,0,1,0,0,0|0,0,2]=4 3995 B15R0.2002 CCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210211 [1,0,1,0,0,0|1,0,0]=3 3996 B15R0.2002 CCCCC(=O)CCCCCCCCCO 1458a_100000210183_100009813782 [1,0,1,0,0,0|1,0,0]=3 3997 B15R0.2002 CCCCC(=O)NCCCCCCCCO 240690a_102515433106_100000210183 [1,0,1,0,0,0|2,0,0]=4 3998 B15R0.2002 CCCCC(C)COCCCCCCCO 34a_100011995851_100000760002 [1,0,1,0,0,0|2,0,0]=4 3999 B15R0.2002 CCCCC(C)COCCCCCCCO 7a_100011995851_100000760002 [1,0,1,0,0,0|2,0,0]=4 4000 B15R0.2002 CCCCC(C)COCCCCCCOC 34a_100011995851_100011998445 [1,0,1,0,0,0|2,0,0]=4 4001 B15R0.2002 CCCCC(C)COCCCCCCOC 7a_100011995851_100011998445 [1,0,1,0,0,0|2,0,0]=4 4002 B15R0.2002 CCCCCCCCC=CC(=O)CCCC 1458a_100015345288_100000210211 [1,0,1,0,0,0|0,0,2]=4 4003 B15R0.2002 CCCCCCCCCCC(=O)CCC#N 1458a_100000210375_100011215226 [1,0,1,0,0,0|1,0,1]=4 4004 B15R0.2002 CCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210319 [1,0,1,0,0,0|1,0,1]=4 4005 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210319 [1,0,1,0,0,0|0,0,0]=2 4006 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210375_100000210211 [1,0,1,0,0,0|0,0,0]=2 4007 B15R0.2002 CCCCCCCCCCC(=O)CCCF 1458a_100000210375_100011934791 [1,0,1,0,0,0|1,0,0]=3 4008 B15R0.2002 CCCCCCCCCCC(=O)CCCO 1458a_100000210375_100011215043 [1,0,1,0,0,0|1,0,0]=3 4009 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000210375_100000233755 [1,0,1,0,0,0|1,0,0]=3 4010 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210319 [1,0,1,0,0,0|1,0,0]=3 4011 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210319 [1,0,1,0,0,0|1,0,0]=3 4012 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000210375_100000751147 [1,0,1,0,0,0|1,0,0]=3 4013 B15R0.2002 CCCCCCCCCCC(=O)COCC 1458a_100000211967_100000210319 [1,0,1,0,0,0|1,0,0]=3 4014 B15R0.2002 CCCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210319 [1,0,1,0,0,0|1,0,0]=3 4015 B15R0.2002 CCCCCCCCCCC(=O)NCCC 11a_100020643023_100000210375 [1,0,1,0,0,0|1,0,0]=3 4016 B15R0.2002 CCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210375 [1,0,1,0,0,0|1,0,0]=3 4017 B15R0.2002 CCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210375 [1,0,1,0,0,0|1,0,0]=3 4018 B15R0.2002 CCCCCCCCCCC(=O)NCCF 11a_100000724931_100000210375 [1,0,1,0,0,0|2,0,0]=4 4019 B15R0.2002 CCCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210375 [1,0,1,0,0,0|2,0,0]=4 4020 B15R0.2002 CCCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210375 [1,0,1,0,0,0|2,0,0]=4 4021 B15R0.2002 CCCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210375 [1,0,1,0,0,0|2,0,0]=4 4022 B15R0.2002 CCCCCCCCCCC(=O)NNCC 22a_100000756455_100000210375 [1,0,1,0,0,0|2,0,0]=4 4023 B15R0.2002 CCCCCCCCCCC(C)NCCC 270004a_100020643023_200011219864 [1,0,1,0,0,0|1,0,1]=4 4024 B15R0.2002 CCCCCCCCCCC(C)OCCC 34a_100011215000_100000210303 [1,0,1,0,0,0|1,0,1]=4 4025 B15R0.2002 CCCCCCCCCCC(C)OCCC 7a_100011215000_100000210303 [1,0,1,0,0,0|1,0,1]=4 4026 B15R0.2002 CCCCCCCCCCN(C)CCCC 2230a_100000207549_100000210320 [1,0,1,0,0,0|1,0,1]=4 4027 B15R0.2002 CCCCCCCCCCN(C)CCCC 2230a_100000207566_100000210211 [1,0,1,0,0,0|1,0,1]=4 4028 B15R0.2002 CCCCCCCCCCN(C)CCCC 269982a_100000207549_100000210320 [1,0,1,0,0,0|1,0,1]=4 4029 B15R0.2002 CCCCCCCCCCN(C)CCCC 269982a_100000207566_100000210211 [1,0,1,0,0,0|1,0,1]=4 4030 B15R0.2002 CCCCCCCCCCN(C)COCC 269982a_100000207566_100000739092 [1,0,1,0,0,0|2,0,0]=4 4031 B15R0.2002 CCCCCCCCCNC(=O)CCCC 11a_100000212291_100000210183 [1,0,1,0,0,0|1,0,0]=3 4032 B15R0.2002 CCCCCCCCCNC(=O)CCCC 1626a_100000212291_100000210183 [1,0,1,0,0,0|1,0,0]=3 4033 B15R0.2002 CCCCCCCCCNC(=O)CCCC 240690a_100000212291_100000210183 [1,0,1,0,0,0|1,0,0]=3 4034 B15R0.2002 CCCCCCCCCNC(=O)CCCC 527a_100000212291_100000210183 [1,0,1,0,0,0|1,0,0]=3 4035 B15R0.2002 CCCCCCCCCNC(=O)CCOC 11a_100000212291_100000749529 [1,0,1,0,0,0|2,0,0]=4 4036 B15R0.2002 CCCCCCCCCNC(=O)CCOC 1626a_100000212291_100000749529 [1,0,1,0,0,0|2,0,0]=4 4037 B15R0.2002 CCCCCCCCCNC(=O)CCOC 240690a_100000212291_100000749529 [1,0,1,0,0,0|2,0,0]=4 4038 B15R0.2002 CCCCCCCCCNC(=O)CCOC 527a_100000212291_100000749529 [1,0,1,0,0,0|2,0,0]=4 4039 B15R0.2002 CCCCCCCCCNC(=O)CCSC 11a_100000212291_100000174002 [1,0,1,0,0,0|2,0,0]=4 4040 B15R0.2002 CCCCCCCCCNC(=O)CCSC 1626a_100000212291_100000174002 [1,0,1,0,0,0|2,0,0]=4 4041 B15R0.2002 CCCCCCCCCNC(=O)CCSC 240690a_100000212291_100000174002 [1,0,1,0,0,0|2,0,0]=4 4042 B15R0.2002 CCCCCCCCCNC(=O)CCSC 527a_100000212291_100000174002 [1,0,1,0,0,0|2,0,0]=4 4043 B15R0.2002 CCCCCCCCCNC(=O)COCC 11a_100000212291_100000211967 [1,0,1,0,0,0|2,0,0]=4 4044 B15R0.2002 CCCCCCCCCNC(=O)COCC 1626a_100000212291_100000211967 [1,0,1,0,0,0|2,0,0]=4 4045 B15R0.2002 CCCCCCCCCNC(=O)COCC 240690a_100000212291_100000211967 [1,0,1,0,0,0|2,0,0]=4 4046 B15R0.2002 CCCCCCCCCNC(=O)COCC 527a_100000212291_100000211967 [1,0,1,0,0,0|2,0,0]=4 4047 B15R0.2002 CCCCCCCCCNC(=O)CSCC 11a_100000212291_100000230394 [1,0,1,0,0,0|2,0,0]=4 4048 B15R0.2002 CCCCCCCCCNC(=O)CSCC 1626a_100000212291_100000230394 [1,0,1,0,0,0|2,0,0]=4 4049 B15R0.2002 CCCCCCCCCNC(=O)CSCC 240690a_100000212291_100000230394 [1,0,1,0,0,0|2,0,0]=4 4050 B15R0.2002 CCCCCCCCCNC(=O)CSCC 527a_100000212291_100000230394 [1,0,1,0,0,0|2,0,0]=4 4051 B15R0.2002 CCCCCCCCCNC(=O)NCCC 2708a_100000212291_100020643023 [1,0,1,0,0,0|2,0,0]=4 4052 B15R0.2002 CCCCCCCCCNC(=O)NCCC 2708a_100020643023_100000212291 [1,0,1,0,0,0|2,0,0]=4 4053 B15R0.2002 CCCCCCCCCNC(=O)NCCC 273464a_100000212291_100020643023 [1,0,1,0,0,0|2,0,0]=4 4054 B15R0.2002 CCCCCCCCCNC(=O)NCCC 273464a_100020643023_100000212291 [1,0,1,0,0,0|2,0,0]=4 4055 B15R0.2002 CCCCCCCCCNC(=O)NCCC 512a_100000212291_100020643023 [1,0,1,0,0,0|2,0,0]=4 4056 B15R0.2002 CCCCCCCCCNC(=O)NCCC 512a_100020643023_100000212291 [1,0,1,0,0,0|2,0,0]=4 4057 B15R0.2002 CCCCCCCCCNC(C)CCCC 2230a_100000126638_100011214924 [1,0,1,0,0,0|1,0,1]=4 4058 B15R0.2002 CCCCCCCCCNC(C)CCCC 2230a_100000212291_200011215066 [1,0,1,0,0,0|1,0,1]=4 4059 B15R0.2002 CCCCCCCCCNC(C)CCCC 270004a_100000212291_100000210087 [1,0,1,0,0,0|1,0,1]=4 4060 B15R0.2002 CCCCCCCCCNC(C)CCCC 34a_100000212291_200011215066 [1,0,1,0,0,0|1,0,1]=4 4061 B15R0.2002 CCCCCCCCCNC(C)CSCC 270004a_100000212291_200011216171 [1,0,1,0,0,0|2,0,0]=4 4062 B15R0.2002 CCCCCCCCCOC(C)CCCC 34a_100000210712_200011215066 [1,0,1,0,0,0|1,0,1]=4 4063 B15R0.2002 CCCCCCCCCOC(C)CCCC 34a_100000687866_100011214924 [1,0,1,0,0,0|1,0,1]=4 4064 B15R0.2002 CCCCCCCCCOC(C)CCCC 7a_100000210712_200011215066 [1,0,1,0,0,0|1,0,1]=4 4065 B15R0.2002 CCCCCCCCCOC(C)CCCC 7a_100000687866_100000210328 [1,0,1,0,0,0|1,0,1]=4 4066 B15R0.2002 CCCCCCCCCOC(C)COCC 34a_100000718985_100011214924 [1,0,1,0,0,0|2,0,0]=4 4067 B15R0.2002 CCCCCCCCCOC(C)COCC 7a_100000718985_100000210328 [1,0,1,0,0,0|2,0,0]=4 4068 B15R0.2002 CCCCCCCCNCC(=O)NCCC 2230a_100000174927_100000210759 [1,0,1,0,0,0|2,0,0]=4 4069 B15R0.2002 CCCCCCCCNCC(=O)NCCC 2230a_100000229939_100000183358 [1,0,1,0,0,0|2,0,0]=4 4070 B15R0.2002 CCCCCCCCNCC(=O)NCCC 34a_100000229939_100000183358 [1,0,1,0,0,0|2,0,0]=4 4071 B15R0.2002 CCCCCCCCNCC(=O)OCCC 2230a_100000229939_200011215008 [1,0,1,0,0,0|2,0,0]=4 4072 B15R0.2002 CCCCCCCCNCC(=O)OCCC 34a_100000229939_200011215008 [1,0,1,0,0,0|2,0,0]=4 4073 B15R0.2002 CCCCCCCCNCC(C)OCCC 2230a_100015185124_100000210759 [1,0,1,0,0,0|2,0,0]=4 4074 B15R0.2002 CCCCCCCCNCC(C)OCCC 34a_100015185124_100000210759 [1,0,1,0,0,0|2,0,0]=4 4075 B15R0.2002 CCCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210759 [1,0,1,0,0,0|2,0,0]=4 4076 B15R0.2002 CCCCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210759 [1,0,1,0,0,0|2,0,0]=4 4077 B15R0.2002 CCCCCCCCOCC(=O)CCCC 1458a_100000759886_100000210211 [1,0,1,0,0,0|1,0,0]=3 4078 B15R0.2002 CCCCCCCCOCC(=O)CCCF 1458a_100000759886_100011934791 [1,0,1,0,0,0|2,0,0]=4 4079 B15R0.2002 CCCCCCCCOCC(=O)CCCO 1458a_100000759886_100011215043 [1,0,1,0,0,0|2,0,0]=4 4080 B15R0.2002 CCCCCCCCOCC(=O)CCOC 1458a_100000759886_100000233755 [1,0,1,0,0,0|2,0,0]=4 4081 B15R0.2002 CCCCCCCCOCC(=O)CCSC 1458a_100000759886_100000751147 [1,0,1,0,0,0|2,0,0]=4 4082 B15R0.2002 CCCCCCCCOCC(=O)NCCC 11a_100020643023_100000759886 [1,0,1,0,0,0|2,0,0]=4 4083 B15R0.2002 CCCCCCCCOCC(=O)NCCC 1626a_100020643023_100000759886 [1,0,1,0,0,0|2,0,0]=4 4084 B15R0.2002 CCCCCCCCOCC(=O)NCCC 240690a_100020643023_100000759886 [1,0,1,0,0,0|2,0,0]=4 4085 B15R0.2002 CCCCCCCCOCC(=O)NCCC 34a_100000210232_100000183358 [1,0,1,0,0,0|2,0,0]=4 4086 B15R0.2002 CCCCCCCCOCC(=O)NCCC 527a_100020643023_100000759886 [1,0,1,0,0,0|2,0,0]=4 4087 B15R0.2002 CCCCCCCCOCC(=O)NCCC 7a_100000210232_100000183358 [1,0,1,0,0,0|2,0,0]=4 4088 B15R0.2002 CCCCCCCCOCC(=O)OCCC 34a_100000210232_200011215008 [1,0,1,0,0,0|2,0,0]=4 4089 B15R0.2002 CCCCCCCCOCC(=O)OCCC 7a_100000210232_200011215008 [1,0,1,0,0,0|2,0,0]=4 4090 B15R0.2002 CCCCCCCCOCC(C)CCCC 34a_100011995851_100000210759 [1,0,1,0,0,0|1,0,0]=3 4091 B15R0.2002 CCCCCCCCOCC(C)CCCC 7a_100011995851_100000210759 [1,0,1,0,0,0|1,0,0]=3 4092 B15R0.2002 CCCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000210759 [1,0,1,0,0,0|2,0,0]=4 4093 B15R0.2002 CCCCCCCCSCC(=O)NCCC 62a_100000183358_100000210317 [1,0,1,0,0,0|2,0,0]=4 4094 B15R0.2002 CCCCCCCCSCC(=O)NCCC 62a_100000210759_100000183358 [1,0,1,0,0,0|2,0,0]=4 4095 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_100000210759_200011215008 [1,0,1,0,0,0|2,0,0]=4 4096 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210317 [1,0,1,0,0,0|2,0,0]=4 4097 B15R0.2002 CCCCCCNCCCC(=O)NCCC 2230a_100000210581_100011194427 [1,0,1,0,0,0|2,0,0]=4 4098 B15R0.2002 CCCCCCOCCCC(=O)NCCC 7a_100000210259_100011194427 [1,0,1,0,0,0|2,0,0]=4 4099 B15R0.2002 CCCCCCSCCCC(=O)NCCC 62a_100000210314_100011194427 [1,0,1,0,0,0|2,0,0]=4 4100 B15R0.2002 CCCCCCSCCCC(=O)NCCC 62a_100011194427_100000210757 [1,0,1,0,0,0|2,0,0]=4 4101 B15R0.2002 CCCCCOCCCCC(C)CCCC 34a_200011021034_100000718602 [1,0,1,0,0,0|1,0,1]=4 4102 B15R0.2002 CCCCCOCCCCC(C)CCCC 7a_200011021034_100000210326 [1,0,1,0,0,0|1,0,1]=4 4103 B15R0.2002 CCCNC(=O)CCCCCCCCCF 11a_100020643023_200009909015 [1,0,1,0,0,0|2,0,0]=4 4104 B15R0.2002 CCCNC(=O)CCCCCCCCCF 240690a_100020643023_200009909015 [1,0,1,0,0,0|2,0,0]=4 4105 B15R0.2002 CCCNC(=O)CCCCCCCCCF 527a_100020643023_200009909015 [1,0,1,0,0,0|2,0,0]=4 4106 B15R0.2002 CCCNC(=O)CCCCCCCCCO 240690a_100020643023_100000032657 [1,0,1,0,0,0|2,0,0]=4 4107 B15R0.2002 CCOCC(=O)CCCCCCCCCO 1458a_100000211967_100009813782 [1,0,1,0,0,0|2,0,0]=4 4108 B15R0.2002 CCSCC(=O)CCCCCCCCCO 1458a_100000230394_100009813782 [1,0,1,0,0,0|2,0,0]=4 4109 B15R0.2002 COCCC(=O)CCCCCCCCCF 1458a_200009909015_100000233755 [1,0,1,0,0,0|2,0,0]=4 4110 B15R0.2002 COCCC(=O)CCCCCCCCCO 1458a_100000749529_100009813782 [1,0,1,0,0,0|2,0,0]=4 4111 B15R0.2002 CSCCC(=O)CCCCCCCCCF 1458a_200009909015_100000751147 [1,0,1,0,0,0|2,0,0]=4 4112 B15R0.2002 CSCCC(=O)CCCCCCCCCO 1458a_100000174002_100009813782 [1,0,1,0,0,0|2,0,0]=4 4113 B15R0.2002 O=C(CCCF)CCCCCCCCCF 1458a_200009909015_100011934791 [1,0,1,0,0,0|2,0,0]=4 4114 B15R0.2002 O=C(CCCO)CCCCCCCCCF 1458a_200009909015_100011215043 [1,0,1,0,0,0|2,0,0]=4 4115 B15R0.138 CCCCC(C)NC(=O)CCCCCCO 240690a_100000126638_100011996774 [1,0,1,0,0,0|2,0,0]=4 4116 B15R0.138 CCCCC(C)NC(=O)CCCCCOC 11a_100000126638_100011935119 [1,0,1,0,0,0|2,0,0]=4 4117 B15R0.138 CCCCC(C)NC(=O)CCCCCOC 1626a_100000126638_100011935119 [1,0,1,0,0,0|2,0,0]=4 4118 B15R0.138 CCCCC(C)NC(=O)CCCCCOC 240690a_100000126638_100011935119 [1,0,1,0,0,0|2,0,0]=4 4119 B15R0.138 CCCCC(C)NC(=O)CCCCCOC 527a_100000126638_100011935119 [1,0,1,0,0,0|2,0,0]=4 4120 B15R0.138 CCCCCCCC(=O)NC(C)CCCC 11a_100000126638_100000211969 [1,0,1,0,0,0|1,0,0]=3 4121 B15R0.138 CCCCCCCC(=O)NC(C)CCCC 1626a_100000126638_100000211969 [1,0,1,0,0,0|1,0,0]=3 4122 B15R0.138 CCCCCCCC(=O)NC(C)CCCC 240690a_100000126638_100000211969 [1,0,1,0,0,0|1,0,0]=3 4123 B15R0.138 CCCCCCCC(=O)NC(C)CCCC 527a_100000126638_100000211969 [1,0,1,0,0,0|1,0,0]=3 4124 B15R0.138 CCCCCCCC(O)CC(=O)CCCC 1458a_200011667753_100000210211 [1,0,1,0,0,0|1,0,0]=3 4125 B15R0.138 CCCCCCCC(O)CC(=O)CCCF 1458a_200011667753_100011934791 [1,0,1,0,0,0|2,0,0]=4 4126 B15R0.138 CCCCCCCC(O)CC(=O)CCCO 1458a_200011667753_100011215043 [1,0,1,0,0,0|2,0,0]=4 4127 B15R0.138 CCCCCCCC(O)CC(=O)CCOC 1458a_200011667753_100000233755 [1,0,1,0,0,0|2,0,0]=4 4128 B15R0.138 CCCCCCCC(O)CC(=O)CCSC 1458a_200011667753_100000751147 [1,0,1,0,0,0|2,0,0]=4 4129 B15R0.138 CCCCCCCC(O)CC(=O)NCCC 1626a_100020643023_200011667753 [1,0,1,0,0,0|2,0,0]=4 4130 B15R0.138 CCCCCCCC(O)CC(=O)NCCC 240690a_100020643023_200011667753 [1,0,1,0,0,0|2,0,0]=4 4131 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 2230a_100000228206_100000183358 [1,0,1,0,0,0|2,0,0]=4 4132 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 2230a_100000684209_100000210681 [1,0,1,0,0,0|2,0,0]=4 4133 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 269982a_100000228206_100000183358 [1,0,1,0,0,0|2,0,0]=4 4134 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210681 [1,0,1,0,0,0|2,0,0]=4 4135 B15R0.138 CCCCCCCN(C)CC(=O)OCCC 2230a_100000228206_200011215008 [1,0,1,0,0,0|2,0,0]=4 4136 B15R0.138 CCCCCCCN(C)CC(=O)OCCC 269982a_100000228206_200011215008 [1,0,1,0,0,0|2,0,0]=4 4137 B15R0.138 CCCCCCNC(=O)CN(C)CCCC 2230a_100000207549_100000230325 [1,0,1,0,0,0|2,0,0]=4 4138 B15R0.138 CCCCCCNC(=O)CN(C)CCCC 269982a_100000207549_100000230325 [1,0,1,0,0,0|2,0,0]=4 4139 B15R0.138 CCCCCCNC(=O)NC(C)CCCC 2708a_100000126638_100000210581 [1,0,1,0,0,0|2,0,0]=4 4140 B15R0.138 CCCCCCNC(=O)NC(C)CCCC 2708a_100000210581_100000126638 [1,0,1,0,0,0|2,0,0]=4 4141 B15R0.138 CCCCCCNC(=O)NC(C)CCCC 273464a_100000126638_100000210581 [1,0,1,0,0,0|2,0,0]=4 4142 B15R0.138 CCCCCCNC(=O)NC(C)CCCC 273464a_100000210581_100000126638 [1,0,1,0,0,0|2,0,0]=4 4143 B15R0.138 CCCCCCNC(=O)NC(C)CCCC 512a_100000126638_100000210581 [1,0,1,0,0,0|2,0,0]=4 4144 B15R0.138 CCCCCCNC(=O)NC(C)CCCC 512a_100000210581_100000126638 [1,0,1,0,0,0|2,0,0]=4 4145 B15R0.133 C#CCCCCCC(=O)CCCCCCC 1458a_100000211969_100012094781 [1,0,1,0,0,0|0,0,2]=4 4146 B15R0.133 C#CCCCCCC(=O)CCCCCCC 1458a_100000694772_100000210614 [1,0,1,0,0,0|0,0,2]=4 4147 B15R0.133 C=CCCCCCC(=O)CCCCCCC 1458a_100000211969_100000700193 [1,0,1,0,0,0|0,0,2]=4 4148 B15R0.133 C=CCCCCCC(=O)CCCCCCC 1458a_100011934241_100000210614 [1,0,1,0,0,0|0,0,2]=4 4149 B15R0.133 CCCC/C=C/CC(=O)CCCCCCC 1458a_200016282684_100000210614 [1,0,1,0,0,0|0,0,2]=4 4150 B15R0.133 CCCCCC#CC(=O)CCCCCCC 1458a_100011215388_100000210614 [1,0,1,0,0,0|0,0,2]=4 4151 B15R0.133 CCCCCC=CC(=O)CCCCCCC 1458a_100016263427_100000210614 [1,0,1,0,0,0|0,0,2]=4 4152 B15R0.133 CCCCCCCC(=O)CCCCCC#N 1458a_100000211969_100009813376 [1,0,1,0,0,0|1,0,1]=4 4153 B15R0.133 CCCCCCCC(=O)CCCCCCC 1458a_100000211969_100000210614 [1,0,1,0,0,0|0,0,0]=2 4154 B15R0.133 CCCCCCCC(=O)CCCCCCF 1458a_100000211969_100015922095 [1,0,1,0,0,0|1,0,0]=3 4155 B15R0.133 CCCCCCCC(=O)CCCCCCO 1458a_100000211969_100000766143 [1,0,1,0,0,0|1,0,0]=3 4156 B15R0.133 CCCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210614 [1,0,1,0,0,0|1,0,0]=3 4157 B15R0.133 CCCCCCCC(=O)CCCCCOC 1458a_100011935119_100000210614 [1,0,1,0,0,0|1,0,0]=3 4158 B15R0.133 CCCCCCCC(=O)CCOCCCC 1458a_100000211969_100000743108 [1,0,1,0,0,0|1,0,0]=3 4159 B15R0.133 CCCCCCCC(=O)CCOCCOC 1458a_100000211969_100000695917 [1,0,1,0,0,0|2,0,0]=4 4160 B15R0.133 CCCCCCCC(=O)CCOCCOC 1458a_100000745395_100000210614 [1,0,1,0,0,0|2,0,0]=4 4161 B15R0.133 CCCCCCCC(=O)NCCCCCC 11a_100000210581_100000211969 [1,0,1,0,0,0|1,0,0]=3 4162 B15R0.133 CCCCCCCC(=O)NCCCCCC 1626a_100000210581_100000211969 [1,0,1,0,0,0|1,0,0]=3 4163 B15R0.133 CCCCCCCC(=O)NCCCCCC 240690a_100000210581_100000211969 [1,0,1,0,0,0|1,0,0]=3 4164 B15R0.133 CCCCCCCC(=O)NCCCCCC 527a_100000210581_100000211969 [1,0,1,0,0,0|1,0,0]=3 4165 B15R0.133 CCCCCCCC(=O)NCCCCCO 240690a_100000762737_100000211969 [1,0,1,0,0,0|2,0,0]=4 4166 B15R0.133 CCCCCCCC(=O)NCCCOCC 11a_100000210961_100000211969 [1,0,1,0,0,0|2,0,0]=4 4167 B15R0.133 CCCCCCCC(=O)NCCCOCC 1626a_100000210961_100000211969 [1,0,1,0,0,0|2,0,0]=4 4168 B15R0.133 CCCCCCCC(=O)NCCCOCC 240690a_100000210961_100000211969 [1,0,1,0,0,0|2,0,0]=4 4169 B15R0.133 CCCCCCCC(=O)NCCCOCC 527a_100000210961_100000211969 [1,0,1,0,0,0|2,0,0]=4 4170 B15R0.133 CCCCCCCC(=O)NCCOCCC 1626a_100161115042_100000211969 [1,0,1,0,0,0|2,0,0]=4 4171 B15R0.133 CCCCCCCC(=O)NCCOCCC 240690a_100161115042_100000211969 [1,0,1,0,0,0|2,0,0]=4 4172 B15R0.133 CCCCCCCC(=O)NCCOCCC 527a_100161115042_100000211969 [1,0,1,0,0,0|2,0,0]=4 4173 B15R0.133 CCCCCCCC(=O)NCCSCCC 11a_100020603323_100000211969 [1,0,1,0,0,0|2,0,0]=4 4174 B15R0.133 CCCCCCCC(=O)NCCSCCC 240690a_100020603323_100000211969 [1,0,1,0,0,0|2,0,0]=4 4175 B15R0.133 CCCCCCCC(=O)NCCSCCC 527a_100020603323_100000211969 [1,0,1,0,0,0|2,0,0]=4 4176 B15R0.133 CCCCCCCC(=O)NNCCCCC 22a_100000694160_100000211969 [1,0,1,0,0,0|2,0,0]=4 4177 B15R0.133 CCCCCCCC(=O)OCNCCCC 2230a_100000102301_100009852258 [1,0,1,0,0,0|2,0,0]=4 4178 B15R0.133 CCCCCCCC(=O)OCNCCCC 7a_106832991798_100009852258 [1,0,1,0,0,0|2,0,0]=4 4179 B15R0.133 CCCCCCCC(=O)OCOCCCC 34a_100000210227_100009852258 [1,0,1,0,0,0|2,0,0]=4 4180 B15R0.133 CCCCCCCC(=O)OCOCCCC 7a_100000210227_100009852258 [1,0,1,0,0,0|2,0,0]=4 4181 B15R0.133 CCCCCCCC(=O)OCSCCCC 62a_100000210211_100009852258 [1,0,1,0,0,0|2,0,0]=4 4182 B15R0.133 CCCCCCCC(C)NCCCCCC 2230a_100000210581_200011218727 [1,0,1,0,0,0|1,0,1]=4 4183 B15R0.133 CCCCCCCC(C)NCCCCCC 270004a_100000210581_100000210596 [1,0,1,0,0,0|1,0,1]=4 4184 B15R0.133 CCCCCCCC(C)OCCCCCC 34a_100000210259_200011218727 [1,0,1,0,0,0|1,0,1]=4 4185 B15R0.133 CCCCCCCC(C)OCCCCCC 34a_200011215852_100000210314 [1,0,1,0,0,0|1,0,1]=4 4186 B15R0.133 CCCCCCCC(C)OCCCCCC 7a_100000210259_200011218727 [1,0,1,0,0,0|1,0,1]=4 4187 B15R0.133 CCCCCCCC(C)OCCCCCC 7a_200011215852_100000210314 [1,0,1,0,0,0|1,0,1]=4 4188 B15R0.133 CCCCCCCN(C)CCCCCCC 2230a_100000228206_100000210681 [1,0,1,0,0,0|1,0,1]=4 4189 B15R0.133 CCCCCCCN(C)CCCCCCC 2230a_100000730722_200000210301 [1,0,1,0,0,0|1,0,1]=4 4190 B15R0.133 CCCCCCCN(C)CCCCCCC 269982a_100000228206_100000210681 [1,0,1,0,0,0|1,0,1]=4 4191 B15R0.133 CCCCCCCN(C)CCCCCCC 269982a_100000730722_200000210301 [1,0,1,0,0,0|1,0,1]=4 4192 B15R0.133 CCCCCCCN([13CH3])CCCCCCC 2230a_100000730722_200025704644 [1,0,1,0,0,0|1,0,1]=4 4193 B15R0.133 CCCCCCCN([13CH3])CCCCCCC 269982a_100000730722_200025704644 [1,0,1,0,0,0|1,0,1]=4 4194 B15R0.133 CCCCCCNC(=O)CCCCCCO 240690a_100000210581_100011996774 [1,0,1,0,0,0|2,0,0]=4 4195 B15R0.133 CCCCCCNC(=O)CCCCCOC 11a_100000210581_100011935119 [1,0,1,0,0,0|2,0,0]=4 4196 B15R0.133 CCCCCCNC(=O)CCCCCOC 1626a_100000210581_100011935119 [1,0,1,0,0,0|2,0,0]=4 4197 B15R0.133 CCCCCCNC(=O)CCCCCOC 240690a_100000210581_100011935119 [1,0,1,0,0,0|2,0,0]=4 4198 B15R0.133 CCCCCCNC(=O)CCCCCOC 527a_100000210581_100011935119 [1,0,1,0,0,0|2,0,0]=4 4199 B15R0.133 CCCCCCNC(=O)CNCCCCC 2230a_100000209983_100000230325 [1,0,1,0,0,0|2,0,0]=4 4200 B15R0.133 CCCCCCNC(=O)COCCCCC 34a_100000210253_100000230325 [1,0,1,0,0,0|2,0,0]=4 4201 B15R0.133 CCCCCCNC(=O)COCCCCC 7a_100000210253_100000230325 [1,0,1,0,0,0|2,0,0]=4 4202 B15R0.133 CCCCCCNC(=O)CSCCCCC 62a_100000230325_100000210326 [1,0,1,0,0,0|2,0,0]=4 4203 B15R0.133 CCCCCCNC(=O)NCCCCCC 2708a_100000210581_100000210581 [1,0,1,0,0,0|2,0,0]=4 4204 B15R0.133 CCCCCCNC(=O)NCCCCCC 273464a_100000210581_100000210581 [1,0,1,0,0,0|2,0,0]=4 4205 B15R0.133 CCCCCCNC(=O)NCCCCCC 512a_100000210581_100000210581 [1,0,1,0,0,0|2,0,0]=4 4206 B15R0.133 CCCCOCCC(=O)CCCCCCO 1458a_100011996774_100000743108 [1,0,1,0,0,0|2,0,0]=4 4207 B15R0.133 CCCCOCCC(=O)CCCCCOC 1458a_100011935119_100000743108 [1,0,1,0,0,0|2,0,0]=4 4208 B15R0.133 COCCCCCC(=O)CCCCCCF 1458a_100011935119_100015922095 [1,0,1,0,0,0|2,0,0]=4 4209 B15R0.133 COCCCCCC(=O)CCCCCCO 1458a_100011935119_100000766143 [1,0,1,0,0,0|2,0,0]=4 4210 B15R0.133 O=C(CCCCCCO)CCCCCCF 1458a_100011996774_100015922095 [1,0,1,0,0,0|2,0,0]=4 4211 B15R0.133 O=C(CCCCCCO)CCCCCCO 1458a_100011996774_100000766143 [1,0,1,0,0,0|2,0,0]=4 4212 B17R0.88 CCCCCCCC(=O)CCCCC(=O)OCC 1458a_100000211969_100000750268 [0,1,1,0,0,0|1,0,1]=4 4213 B17R0.88 CCCCCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210614 [0,1,1,0,0,0|1,0,1]=4 4214 B17R0.88 CCCCCCCC(C)OCCCC(=O)OCC 34a_200011215852_100009991533 [0,1,1,0,0,0|2,0,0]=4 4215 B17R0.88 CCCCCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011218727 [0,1,1,0,0,0|2,0,0]=4 4216 B17R0.88 CCCCCCCC(C)OCCCC(=O)OCC 7a_200011215852_100011215271 [0,1,1,0,0,0|2,0,0]=4 4217 B17R0.88 CCCCCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011218727 [0,1,1,0,0,0|2,0,0]=4 4218 B17R0.88 CCCCCCCC(C)SCCCC(=O)OCC 62a_200011218727_100009991533 [0,1,1,0,0,0|2,0,0]=4 4219 B17R0.88 CCCCCCCN(C)CCCCC(=O)OCC 2230a_100000228206_100000750268 [0,1,1,0,0,0|2,0,0]=4 4220 B17R0.88 CCCCCCCN(C)CCCCC(=O)OCC 269982a_100000228206_100000750268 [0,1,1,0,0,0|2,0,0]=4 4221 B17R0.90 CCCCC(=O)CCCCCCCC(=O)OCC 1458a_100000210183_100009991516 [0,1,1,0,0,0|1,0,1]=4 4222 B17R0.90 CCCCC(C)CCCCOCCC(=O)NCC 7a_200011021034_100000737597 [0,1,1,0,0,0|2,0,0]=4 4223 B17R0.90 CCCCC(C)CCCCOCCC(=O)OCC 34a_200011021034_100000765890 [0,1,1,0,0,0|2,0,0]=4 4224 B17R0.90 CCCCC(C)CCCCOCCC(=O)OCC 7a_200011021034_100011206558 [0,1,1,0,0,0|2,0,0]=4 4225 B17R0.90 CCCCC(C)CCCCOCOC(=O)CCC 34a_200011021034_100000034017 [0,1,1,0,0,0|2,0,0]=4 4226 B17R0.90 CCCCC(C)COCCCCCC(=O)OCC 34a_100011995851_100000755133 [0,1,1,0,0,0|2,0,0]=4 4227 B17R0.90 CCCCC(C)COCCCCCC(=O)OCC 7a_100011995851_100000755133 [0,1,1,0,0,0|2,0,0]=4 4228 B17R0.90 CCCCC(C)NCCCCCCC(=O)OCC 2230a_100000126638_100009814379 [0,1,1,0,0,0|2,0,0]=4 4229 B17R0.90 CCCCC(C)OCCCCCCC(=O)OCC 34a_100000687866_100009814379 [0,1,1,0,0,0|2,0,0]=4 4230 B17R0.90 CCCCC(C)OCCCCCCC(=O)OCC 7a_100000687866_100009814379 [0,1,1,0,0,0|2,0,0]=4 4231 B17R0.90 CCCCC(C)SCCCCCCC(=O)OCC 62a_200011215066_100009814379 [0,1,1,0,0,0|2,0,0]=4 4232 B17R0.90 CCCCN(C)CCCCCCCC(=O)OCC 2230a_100000207549_100009991516 [0,1,1,0,0,0|2,0,0]=4 4233 B17R0.90 CCCCN(C)CCCCCCCC(=O)OCC 269982a_100000207549_100009991516 [0,1,1,0,0,0|2,0,0]=4 4234 B17R0.90 CCCC[C@H](N)COCCCCCC(=O)OCC 34a_100011934283_100000755133 [0,1,1,0,0,0|2,0,0]=4 4235 B17R0.116 C=C(C)CC(=O)CCCCCCCCCCCC 1458a_100011215791_100000748629 [0,1,1,0,0,0|0,0,1]=3 4236 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 2230a_100000225649_100011215052 [0,1,1,0,0,0|2,0,0]=4 4237 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 2230a_100000227908_100000748629 [0,1,1,0,0,0|2,0,0]=4 4238 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 269982a_100000225649_100000759014 [0,1,1,0,0,0|2,0,0]=4 4239 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 269982a_100000227908_100000748629 [0,1,1,0,0,0|2,0,0]=4 4240 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 270004a_100000225649_100011218549 [0,1,1,0,0,0|2,0,0]=4 4241 B17R0.116 C=C(F)CC(=O)CCCCCCCCCCCC 1458a_100011215791_100009893438 [0,1,1,0,0,0|0,0,2]=4 4242 B17R0.116 C=C(F)CN(C)CCCCCCCCCCCC 2230a_100000227908_100009893438 [0,1,1,0,0,0|2,0,0]=4 4243 B17R0.116 C=C(F)CN(C)CCCCCCCCCCCC 269982a_100000227908_100009893438 [0,1,1,0,0,0|2,0,0]=4 4244 B17R0.116 C=CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011093070 [0,1,1,0,0,0|0,0,2]=4 4245 B17R0.116 C=CCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011093070 [0,1,1,0,0,0|0,0,2]=4 4246 B17R0.116 CC(C)CC(=O)CCCCCCCCCCCO 1458a_100000210554_100009812471 [0,1,1,0,0,0|1,0,0]=3 4247 B17R0.116 CC(C)CC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210554 [0,1,1,0,0,0|2,0,0]=4 4248 B17R0.116 CC(C)NC(=O)CCCCCCCCCCCO 240690a_100138425928_100000037981 [0,1,1,0,0,0|2,0,0]=4 4249 B17R0.116 CCCCC#CCCCCCCC(=O)CC(C)C 1458a_100000210554_200000043322 [0,1,1,0,0,0|0,0,2]=4 4250 B17R0.116 CCCCC#CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_200000043322 [0,1,1,0,0,0|0,0,2]=4 4251 B17R0.116 CCCCCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000759014 [0,1,1,0,0,0|0,0,2]=4 4252 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100011215791_100000187820 [0,1,1,0,0,0|1,0,1]=4 4253 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000759014 [0,1,1,0,0,0|1,0,1]=4 4254 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100011215791_100020667443 [0,1,1,0,0,0|1,0,1]=4 4255 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000759014 [0,1,1,0,0,0|0,0,0]=2 4256 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)C 1458a_100011215791_100000210624 [0,1,1,0,0,0|0,0,0]=2 4257 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)O 1458a_100011215791_100011218427 [0,1,1,0,0,0|0,0,0]=2 4258 B17R0.116 CCCCCCCCCCCCC(=O)CC(F)F 1458a_100011215791_100011934356 [0,1,1,0,0,0|1,0,0]=3 4259 B17R0.116 CCCCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000759014 [0,1,1,0,0,0|1,0,0]=3 4260 B17R0.116 CCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000759014 [0,1,1,0,0,0|0,0,0]=2 4261 B17R0.116 CCCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100011215791_100000761209 [0,1,1,0,0,0|2,0,0]=4 4262 B17R0.116 CCCCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000759014 [0,1,1,0,0,0|1,0,0]=3 4263 B17R0.116 CCCCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100011215791 [0,1,1,0,0,0|1,0,0]=3 4264 B17R0.116 CCCCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100011215791 [0,1,1,0,0,0|1,0,0]=3 4265 B17R0.116 CCCCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100011215791 [0,1,1,0,0,0|1,0,0]=3 4266 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000227908_100000747473 [0,1,1,0,0,0|1,0,0]=3 4267 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215052 [0,1,1,0,0,0|1,0,0]=3 4268 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 269982a_100000227908_100000187820 [0,1,1,0,0,0|1,0,0]=3 4269 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 270004a_100000739694_100011218549 [0,1,1,0,0,0|1,0,0]=3 4270 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000759014 [0,1,1,0,0,0|1,0,0]=3 4271 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000227908_100020667443 [0,1,1,0,0,0|1,0,0]=3 4272 B17R0.116 CCCCCCCCCCCCN(C)CC(C)C 2230a_100000227908_100000210760 [0,1,1,0,0,0|2,0,0]=4 4273 B17R0.116 CCCCCCCCCCCCN(C)CC(C)C 2230a_100000747067_100011215052 [0,1,1,0,0,0|2,0,0]=4 4274 B17R0.116 CCCCCCCCCCCCN(C)CC(C)C 269982a_100000227908_100000210624 [0,1,1,0,0,0|2,0,0]=4 4275 B17R0.116 CCCCCCCCCCCCN(C)CC(C)C 269982a_100000747067_100000759014 [0,1,1,0,0,0|2,0,0]=4 4276 B17R0.116 CCCCCCCCCCCCN(C)CC(C)C 270004a_100000227908_100000210432 [0,1,1,0,0,0|2,0,0]=4 4277 B17R0.116 CCCCCCCCCCCCN(C)CC(C)C 270004a_100000747067_100011218549 [0,1,1,0,0,0|2,0,0]=4 4278 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011215052 [0,1,1,0,0,0|2,0,0]=4 4279 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 2230a_100000227908_100011218427 [0,1,1,0,0,0|2,0,0]=4 4280 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000759014 [0,1,1,0,0,0|2,0,0]=4 4281 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 269982a_100000227908_100011218427 [0,1,1,0,0,0|2,0,0]=4 4282 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 270004a_100000227577_100011218549 [0,1,1,0,0,0|2,0,0]=4 4283 B17R0.116 CCCCCCCCCCCCN(C)C[C@@H](C)O 2230a_100000227908_100009817552 [0,1,1,0,0,0|2,0,0]=4 4284 B17R0.116 CCCCCCCCCCCCN(C)C[C@@H](C)O 269982a_100000227908_100009817552 [0,1,1,0,0,0|2,0,0]=4 4285 B17R0.116 CCCCCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000227908_100000761209 [0,1,1,0,0,0|2,0,0]=4 4286 B17R0.116 CCCCCCCCCCCNC(=O)CC(C)C 11a_200011215754_100000210554 [0,1,1,0,0,0|1,0,0]=3 4287 B17R0.116 CCCCCCCCCCCNC(=O)CC(C)C 1626a_200011215754_100000210554 [0,1,1,0,0,0|1,0,0]=3 4288 B17R0.116 CCCCCCCCCCCNC(=O)CC(C)C 240690a_200011215754_100000210554 [0,1,1,0,0,0|1,0,0]=3 4289 B17R0.116 CCCCCCCCCCCNC(=O)CC(C)C 527a_200011215754_100000210554 [0,1,1,0,0,0|1,0,0]=3 4290 B17R0.116 CCCCCCCCCCCNC(=O)CN(C)C 11a_200011215754_100000750896 [0,1,1,0,0,0|2,0,0]=4 4291 B17R0.116 CCCCCCCCCCCNC(=O)CN(C)C 240690a_200011215754_100000750896 [0,1,1,0,0,0|2,0,0]=4 4292 B17R0.116 CCCCCCCCCCCNC(=O)CN(C)C 527a_200011215754_100000750896 [0,1,1,0,0,0|2,0,0]=4 4293 B17R0.116 CCCCCCCCCCCNC(=O)C[C@@H](C)O 240690a_200011215754_100011933948 [0,1,1,0,0,0|1,0,0]=3 4294 B17R0.116 CCCCCCCCCCCNC(=O)C[S+](C)C 11a_200011215754_200159257847 [0,1,1,0,0,0|2,0,0]=4 4295 B17R0.116 CCCCCCCCCCCNC(=O)C[S+](C)C 1626a_200011215754_200159257847 [0,1,1,0,0,0|2,0,0]=4 4296 B17R0.116 CCCCCCCCCCCNC(=O)C[S+](C)C 240690a_200011215754_200159257847 [0,1,1,0,0,0|2,0,0]=4 4297 B17R0.116 CCCCCCCCCCCNC(=O)C[S+](C)C 527a_200011215754_200159257847 [0,1,1,0,0,0|2,0,0]=4 4298 B17R0.116 CCCCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_200011215754 [0,1,1,0,0,0|2,0,0]=4 4299 B17R0.116 CCCCCCCCCCCNC(=O)NC(C)C 2708a_200011215754_100138425928 [0,1,1,0,0,0|2,0,0]=4 4300 B17R0.116 CCCCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_200011215754 [0,1,1,0,0,0|2,0,0]=4 4301 B17R0.116 CCCCCCCCCCCNC(=O)NC(C)C 512a_100138425928_200011215754 [0,1,1,0,0,0|2,0,0]=4 4302 B17R0.116 CCCCCCCCCCCNC(=O)NC(C)C 512a_200011215754_100138425928 [0,1,1,0,0,0|2,0,0]=4 4303 B17R0.116 CCCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100011215454 [0,1,1,0,0,0|2,0,0]=4 4304 B17R0.116 CCCCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210320 [0,1,1,0,0,0|2,0,0]=4 4305 B17R0.116 CCCCCCCCCCNCC(=O)NC(C)C 2230a_100000684558_100000183996 [0,1,1,0,0,0|2,0,0]=4 4306 B17R0.116 CCCCCCCCCCNCC(=O)NC(C)C 34a_100000684558_100000183996 [0,1,1,0,0,0|2,0,0]=4 4307 B17R0.116 CCCCCCCCCCNCC(=O)OC(C)C 2230a_100000684558_100011215430 [0,1,1,0,0,0|2,0,0]=4 4308 B17R0.116 CCCCCCCCCCNCC(=O)OC(C)C 34a_100000684558_100011215430 [0,1,1,0,0,0|2,0,0]=4 4309 B17R0.116 CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210320 [0,1,1,0,0,0|2,0,0]=4 4310 B17R0.116 CCCCCCCCCCOCC(=O)NC(C)C 34a_100000210711_100000183996 [0,1,1,0,0,0|2,0,0]=4 4311 B17R0.116 CCCCCCCCCCOCC(=O)NC(C)C 7a_100000210711_100000183996 [0,1,1,0,0,0|2,0,0]=4 4312 B17R0.116 CCCCCCCCCCOCC(=O)OC(C)C 34a_100000210711_100011215430 [0,1,1,0,0,0|2,0,0]=4 4313 B17R0.116 CCCCCCCCCCOCC(=O)OC(C)C 7a_100000210711_100011215430 [0,1,1,0,0,0|2,0,0]=4 4314 B17R0.116 CCCCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210320 [0,1,1,0,0,0|2,0,0]=4 4315 B17R0.116 CCCCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210320 [0,1,1,0,0,0|2,0,0]=4 4316 B17R0.116 CCCCCCCCCNCCC(=O)NC(C)C 2230a_100000212291_100000737564 [0,1,1,0,0,0|2,0,0]=4 4317 B17R0.116 CCCCCCCCCNCCC(=O)OC(C)C 2230a_100000212291_100000760027 [0,1,1,0,0,0|2,0,0]=4 4318 B17R0.116 CCCCCCCCCOCCC(=O)NC(C)C 7a_100000210712_100000737564 [0,1,1,0,0,0|2,0,0]=4 4319 B17R0.116 CCCCCCCCCOCCC(=O)OC(C)C 7a_100000210712_100000760027 [0,1,1,0,0,0|2,0,0]=4 4320 B17R0.116 CCCCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210670 [0,1,1,0,0,0|2,0,0]=4 4321 B17R0.116 CCCCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210670 [0,1,1,0,0,0|2,0,0]=4 4322 B17R0.116 CCCCCCNCCCCCC(=O)OC(C)C 2230a_100000210581_200010986244 [0,1,1,0,0,0|2,0,0]=4 4323 B17R0.116 CCCCCCOCCCCCC(=O)OC(C)C 34a_100000210259_200010986244 [0,1,1,0,0,0|2,0,0]=4 4324 B17R0.116 CCCCCCOCCCCCC(=O)OC(C)C 7a_100000210259_200010986244 [0,1,1,0,0,0|2,0,0]=4 4325 B17R0.116 CCCCCCSCCCCCC(=O)OC(C)C 62a_100000210314_200010986244 [0,1,1,0,0,0|2,0,0]=4 4326 B17R0.116 CCCCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210757 [0,1,1,0,0,0|2,0,0]=4 4327 B17R0.116 CN(C)CC(=O)CCCCCCCCCCCO 1458a_100000750896_100009812471 [0,1,1,0,0,0|2,0,0]=4 4328 B17R0.116 CN(CCCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009812471 [0,1,1,0,0,0|2,0,0]=4 4329 B17R0.116 CN(CCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009812471 [0,1,1,0,0,0|2,0,0]=4 4330 B17R0.116 C[C@@H](O)CC(=O)CCCCCCCCCCCO 1458a_100011933948_100009812471 [0,1,1,0,0,0|1,0,0]=3 4331 B17R0.116 C[C@@H](O)CC(=O)NCCCCCCCCCCO 240690a_100000066964_100011933948 [0,1,1,0,0,0|2,0,0]=4 4332 B17R0.116 C[S+](C)CC(=O)CCCCCCCCCCCO 1458a_200159257847_100009812471 [0,1,1,0,0,0|2,0,0]=4 4333 B17R0.196 C#CCCC(=O)CCCCCCCCCCCC 1458a_100000692101_100000759014 [0,1,1,0,0,0|0,0,1]=3 4334 B17R0.196 C#CCCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000753159 [0,1,1,0,0,0|0,0,1]=3 4335 B17R0.196 C#CCCC(=O)CCCCCCCCCCCO 1458a_100000692101_100009812471 [0,1,1,0,0,0|1,0,1]=4 4336 B17R0.196 C#CCCC(=O)CCOCCCCCCCCC 34a_100011064465_100011214924 [0,1,1,0,0,0|1,0,1]=4 4337 B17R0.196 C#CCCC(=O)CCOCCCCCCCCC 7a_100011064465_100000210328 [0,1,1,0,0,0|1,0,1]=4 4338 B17R0.196 C#CCCC(=O)NCCCCCCCCCCC 11a_200011215754_100000692101 [0,1,1,0,0,0|1,0,1]=4 4339 B17R0.196 C#CCCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000692101 [0,1,1,0,0,0|1,0,1]=4 4340 B17R0.196 C#CCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000692101 [0,1,1,0,0,0|1,0,1]=4 4341 B17R0.196 C#CCCC(=O)NCCCCCCCCCCC 527a_200011215754_100000692101 [0,1,1,0,0,0|1,0,1]=4 4342 B17R0.196 C#CCNC(=O)CCCCCCCCCCCC 11a_100000212058_100011215791 [0,1,1,0,0,0|0,0,2]=4 4343 B17R0.196 C#CCNC(=O)CCCCCCCCCCCC 1626a_100000212058_100011215791 [0,1,1,0,0,0|0,0,2]=4 4344 B17R0.196 C#CCNC(=O)CCCCCCCCCCCC 240690a_100000212058_100011215791 [0,1,1,0,0,0|0,0,2]=4 4345 B17R0.196 C#CCNC(C)CCCCCCCCCCCC 34a_100000212058_200011217028 [0,1,1,0,0,0|1,0,1]=4 4346 B17R0.196 C#CCOC(C)CCCCCCCCCCCC 34a_100000210247_200011217028 [0,1,1,0,0,0|1,0,1]=4 4347 B17R0.196 C#CCOC(C)CCCCCCCCCCCC 34a_200011215752_100000184674 [0,1,1,0,0,0|1,0,1]=4 4348 B17R0.196 C#CCOC(C)CCCCCCCCCCCC 7a_200011215752_100000038162 [0,1,1,0,0,0|1,0,1]=4 4349 B17R0.196 C/C=C/CC(=O)CCCCCCCCCCCC 1458a_100011215791_100102629194 [0,1,1,0,0,0|0,0,1]=3 4350 B17R0.196 C/C=C/CN(C)CCCCCCCCCCCC 269982a_100000227908_100102629194 [0,1,1,0,0,0|2,0,0]=4 4351 B17R0.196 C=CCCC(=O)CCCCCCCCCCCC 1458a_100000749702_100000759014 [0,1,1,0,0,0|0,0,1]=3 4352 B17R0.196 C=CCCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000754431 [0,1,1,0,0,0|0,0,1]=3 4353 B17R0.196 C=CCCC(=O)CCCCCCCCCCCO 1458a_100000749702_100009812471 [0,1,1,0,0,0|1,0,1]=4 4354 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 11a_200011215754_100000749702 [0,1,1,0,0,0|1,0,1]=4 4355 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000749702 [0,1,1,0,0,0|1,0,1]=4 4356 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000749702 [0,1,1,0,0,0|1,0,1]=4 4357 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 527a_200011215754_100000749702 [0,1,1,0,0,0|1,0,1]=4 4358 B17R0.196 C=CCCC(C)NCCCCCCCCCCC 270004a_200011215754_100000762624 [0,1,1,0,0,0|2,0,0]=4 4359 B17R0.196 C=CCCC(C)OCCCCCCCCCCC 34a_100000765329_100011215454 [0,1,1,0,0,0|2,0,0]=4 4360 B17R0.196 C=CCCC(C)OCCCCCCCCCCC 7a_100000765329_100011215454 [0,1,1,0,0,0|2,0,0]=4 4361 B17R0.196 C=CCCCCCCCCCCC(=O)CCCC 1458a_100000210183_100011093070 [0,1,1,0,0,0|0,0,2]=4 4362 B17R0.196 C=CCCCCCCCCCCC(=O)CCOC 1458a_100000749529_100011093070 [0,1,1,0,0,0|0,0,2]=4 4363 B17R0.196 C=CCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100011093070 [0,1,1,0,0,0|0,0,2]=4 4364 B17R0.196 C=CCCCCCCCCCCC(=O)COCC 1458a_100000211967_100011093070 [0,1,1,0,0,0|0,0,2]=4 4365 B17R0.196 C=CCCCCCCCCCCC(=O)CSCC 1458a_100000230394_100011093070 [0,1,1,0,0,0|0,0,2]=4 4366 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 2230a_100000227908_100000754431 [0,1,1,0,0,0|2,0,0]=4 4367 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 2230a_100020639649_100011215052 [0,1,1,0,0,0|2,0,0]=4 4368 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 269982a_100000227908_100000754431 [0,1,1,0,0,0|2,0,0]=4 4369 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 269982a_100020639649_100000759014 [0,1,1,0,0,0|2,0,0]=4 4370 B17R0.196 C=CCCN(C)CCCCCCCCCCCC 270004a_100020639649_100011218549 [0,1,1,0,0,0|2,0,0]=4 4371 B17R0.196 C=CCNC(=O)CCCCCCCCCCCC 1626a_100020586998_100011215791 [0,1,1,0,0,0|0,0,2]=4 4372 B17R0.196 C=CCNC(=O)CCCCCCCCCCCC 240690a_100020586998_100011215791 [0,1,1,0,0,0|0,0,2]=4 4373 B17R0.196 C=CCNC(C)CCCCCCCCCCCC 2230a_100020586998_200011217028 [0,1,1,0,0,0|1,0,0]=3 4374 B17R0.196 C=CCNC(C)CCCCCCCCCCCC 270004a_100020586998_100011219199 [0,1,1,0,0,0|1,0,0]=3 4375 B17R0.196 C=CCOC(C)CCCCCCCCCCCC 34a_200000210373_200011217028 [0,1,1,0,0,0|1,0,0]=3 4376 B17R0.196 C=CCOC(C)CCCCCCCCCCCC 34a_200011215752_100015514636 [0,1,1,0,0,0|1,0,0]=3 4377 B17R0.196 C=CCOC(C)CCCCCCCCCCCC 7a_200011215752_100015514636 [0,1,1,0,0,0|1,0,0]=3 4378 B17R0.196 CC#CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000748600 [0,1,1,0,0,0|0,0,1]=3 4379 B17R0.196 CC=CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000070051 [0,1,1,0,0,0|0,0,1]=3 4380 B17R0.196 CC=CCC(=O)CCCCCCCCCCCC 1458a_100121576822_100000759014 [0,1,1,0,0,0|0,0,1]=3 4381 B17R0.196 CC=CCC(=O)CCCCCCCCCCCO 1458a_100121576822_100009812471 [0,1,1,0,0,0|1,0,1]=4 4382 B17R0.196 CC=CCC(=O)NCCCCCCCCCCC 11a_200011215754_100121576822 [0,1,1,0,0,0|1,0,1]=4 4383 B17R0.196 CC=CCC(=O)NCCCCCCCCCCC 1626a_200011215754_100121576822 [0,1,1,0,0,0|1,0,1]=4 4384 B17R0.196 CC=CCC(=O)NCCCCCCCCCCC 240690a_200011215754_100121576822 [0,1,1,0,0,0|1,0,1]=4 4385 B17R0.196 CC=CCC(=O)NCCCCCCCCCCC 527a_200011215754_100121576822 [0,1,1,0,0,0|1,0,1]=4 4386 B17R0.196 CC=CCN(C)CCCCCCCCCCCC 2230a_100000227908_100000070051 [0,1,1,0,0,0|2,0,0]=4 4387 B17R0.196 CCC#CC(=O)CCCCCCCCCCCC 1458a_100011827653_100000759014 [0,1,1,0,0,0|0,0,1]=3 4388 B17R0.196 CCC#CC(=O)CCCCCCCCCCCO 1458a_100011827653_100009812471 [0,1,1,0,0,0|1,0,1]=4 4389 B17R0.196 CCC=CC(=O)CCCCCCCCCCCC 1458a_100000212282_100000759014 [0,1,1,0,0,0|0,0,1]=3 4390 B17R0.196 CCC=CC(=O)CCCCCCCCCCCO 1458a_100000212282_100009812471 [0,1,1,0,0,0|1,0,1]=4 4391 B17R0.196 CCC=CC(=O)NCCCCCCCCCCC 11a_200011215754_100000212282 [0,1,1,0,0,0|1,0,1]=4 4392 B17R0.196 CCC=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000212282 [0,1,1,0,0,0|1,0,1]=4 4393 B17R0.196 CCC=CC(=O)NCCCCCCCCCCC 240690a_200011215754_100000212282 [0,1,1,0,0,0|1,0,1]=4 4394 B17R0.196 CCCCC#CCCCCCCC(=O)CCCC 1458a_100000210183_200000043322 [0,1,1,0,0,0|0,0,2]=4 4395 B17R0.196 CCCCC#CCCCCCCC(=O)CCOC 1458a_100000749529_200000043322 [0,1,1,0,0,0|0,0,2]=4 4396 B17R0.196 CCCCC#CCCCCCCC(=O)CCSC 1458a_100000174002_200000043322 [0,1,1,0,0,0|0,0,2]=4 4397 B17R0.196 CCCCC#CCCCCCCC(=O)COCC 1458a_100000211967_200000043322 [0,1,1,0,0,0|0,0,2]=4 4398 B17R0.196 CCCCC#CCCCCCCC(=O)CSCC 1458a_100000230394_200000043322 [0,1,1,0,0,0|0,0,2]=4 4399 B17R0.196 CCCCC(=O)CCCCCCCCCCCO 1458a_100000210183_100009812471 [0,1,1,0,0,0|1,0,0]=3 4400 B17R0.196 CCCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210183 [0,1,1,0,0,0|2,0,0]=4 4401 B17R0.196 CCCCCCCCCCC=CC(=O)NCCC 11a_100020643023_100015291182 [0,1,1,0,0,0|0,0,2]=4 4402 B17R0.196 CCCCCCCCCCC=CC(=O)NCCC 1626a_100020643023_100015291182 [0,1,1,0,0,0|0,0,2]=4 4403 B17R0.196 CCCCCCCCCCC=CC(=O)NCCC 240690a_100020643023_100015291182 [0,1,1,0,0,0|0,0,2]=4 4404 B17R0.196 CCCCCCCCCCCCC(=NNCC)C 4a_100000756455_100011219199 [0,1,1,0,0,0|2,0,0]=4 4405 B17R0.196 CCCCCCCCCCCCC(=O)C#CCO 1458a_100000049017_100000759014 [0,1,1,0,0,0|0,0,2]=4 4406 B17R0.196 CCCCCCCCCCCCC(=O)C=COC 1458a_100016268678_100000759014 [0,1,1,0,0,0|0,0,2]=4 4407 B17R0.196 CCCCCCCCCCCCC(=O)CCC#N 1458a_100011215791_100011215226 [0,1,1,0,0,0|0,0,1]=3 4408 B17R0.196 CCCCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000759014 [0,1,1,0,0,0|0,0,1]=3 4409 B17R0.196 CCCCCCCCCCCCC(=O)CCCF 1458a_100011215791_100011934791 [0,1,1,0,0,0|0,0,0]=2 4410 B17R0.196 CCCCCCCCCCCCC(=O)CCCO 1458a_100011215791_100011215043 [0,1,1,0,0,0|0,0,0]=2 4411 B17R0.196 CCCCCCCCCCCCC(=O)CCOC 1458a_100000749529_100000759014 [0,1,1,0,0,0|0,0,0]=2 4412 B17R0.196 CCCCCCCCCCCCC(=O)CCOC 1458a_100011215791_100000233755 [0,1,1,0,0,0|0,0,0]=2 4413 B17R0.196 CCCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100000759014 [0,1,1,0,0,0|0,0,0]=2 4414 B17R0.196 CCCCCCCCCCCCC(=O)CCSC 1458a_100011215791_100000751147 [0,1,1,0,0,0|0,0,0]=2 4415 B17R0.196 CCCCCCCCCCCCC(=O)COCC 1458a_100000211967_100000759014 [0,1,1,0,0,0|0,0,0]=2 4416 B17R0.196 CCCCCCCCCCCCC(=O)CSCC 1458a_100000230394_100000759014 [0,1,1,0,0,0|0,0,0]=2 4417 B17R0.196 CCCCCCCCCCCCC(=O)NCC#N 1626a_100000734998_100011215791 [0,1,1,0,0,0|1,0,1]=4 4418 B17R0.196 CCCCCCCCCCCCC(=O)NCCC 11a_100020643023_100011215791 [0,1,1,0,0,0|0,0,0]=2 4419 B17R0.196 CCCCCCCCCCCCC(=O)NCCC 1626a_100020643023_100011215791 [0,1,1,0,0,0|0,0,0]=2 4420 B17R0.196 CCCCCCCCCCCCC(=O)NCCC 240690a_100020643023_100011215791 [0,1,1,0,0,0|0,0,0]=2 4421 B17R0.196 CCCCCCCCCCCCC(=O)NCCF 11a_100000724931_100011215791 [0,1,1,0,0,0|1,0,0]=3 4422 B17R0.196 CCCCCCCCCCCCC(=O)NCCF 1626a_100000724931_100011215791 [0,1,1,0,0,0|1,0,0]=3 4423 B17R0.196 CCCCCCCCCCCCC(=O)NCCF 240690a_100000724931_100011215791 [0,1,1,0,0,0|1,0,0]=3 4424 B17R0.196 CCCCCCCCCCCCC(=O)NCCO 240690a_100000210304_100011215791 [0,1,1,0,0,0|1,0,0]=3 4425 B17R0.196 CCCCCCCCCCCCC(=O)NNCC 22a_100000756455_100011215791 [0,1,1,0,0,0|1,0,0]=3 4426 B17R0.196 CCCCCCCCCCCCC(C)COCC 34a_100000724949_100000210202 [0,1,1,0,0,0|1,0,1]=4 4427 B17R0.196 CCCCCCCCCCCCC(C)COCC 7a_100000724949_100000210202 [0,1,1,0,0,0|1,0,1]=4 4428 B17R0.196 CCCCCCCCCCCCC(C)COCF 34a_100000724949_100015361967 [0,1,1,0,0,0|1,0,1]=4 4429 B17R0.196 CCCCCCCCCCCCC(C)COCF 7a_100000724949_100015361967 [0,1,1,0,0,0|1,0,1]=4 4430 B17R0.196 CCCCCCCCCCCCC(C)NCCC 270004a_100020643023_100011219199 [0,1,1,0,0,0|1,0,1]=4 4431 B17R0.196 CCCCCCCCCCCCC(C)NCCF 34a_100000724931_200011217028 [0,1,1,0,0,0|1,0,1]=4 4432 B17R0.196 CCCCCCCCCCCCC(C)NCCO 2230a_100016997473_200011217028 [0,1,1,0,0,0|0,0,2]=4 4433 B17R0.196 CCCCCCCCCCCCC(C)NCCO 270004a_100000210304_100011219199 [0,1,1,0,0,0|0,0,2]=4 4434 B17R0.196 CCCCCCCCCCCCC(C)NCCO 34a_100016990907_200011217028 [0,1,1,0,0,0|0,0,2]=4 4435 B17R0.196 CCCCCCCCCCCCC(C)OCC#N 7a_200011215752_100011215382 [0,1,1,0,0,0|1,0,1]=4 4436 B17R0.196 CCCCCCCCCCCCC(C)OCC=O 34a_200011215752_200009817547 [0,1,1,0,0,0|0,0,0]=2 4437 B17R0.196 CCCCCCCCCCCCC(C)OCC=O 7a_200011215752_200015260668 [0,1,1,0,0,0|0,0,0]=2 4438 B17R0.196 CCCCCCCCCCCCC(C)OCCF 34a_200011215752_100011217306 [0,1,1,0,0,0|1,0,1]=4 4439 B17R0.196 CCCCCCCCCCCCC(C)OCCF 7a_200011215752_100011217306 [0,1,1,0,0,0|1,0,1]=4 4440 B17R0.196 CCCCCCCCCCCCC(C)OCCN 34a_100000210304_200011217028 [0,1,1,0,0,0|1,0,1]=4 4441 B17R0.196 CCCCCCCCCCCCC(C)OCCO 34a_200011215752_100000211926 [0,1,1,0,0,0|0,0,2]=4 4442 B17R0.196 CCCCCCCCCCCCC(C)OCCO 7a_200011215752_100000211926 [0,1,1,0,0,0|0,0,2]=4 4443 B17R0.196 CCCCCCCCCCCCC(C)SCC#N 62a_100011215382_200011217028 [0,1,1,0,0,0|1,0,1]=4 4444 B17R0.196 CCCCCCCCCCCCC(C)SCC#N 62a_200011217028_100011215382 [0,1,1,0,0,0|1,0,1]=4 4445 B17R0.196 CCCCCCCCCCCCC(C)SCC=O 62a_200011217028_200015260668 [0,1,1,0,0,0|0,0,0]=2 4446 B17R0.196 CCCCCCCCCCCCC(C)SCC=O 62a_200015260668_200011217028 [0,1,1,0,0,0|0,0,0]=2 4447 B17R0.196 CCCCCCCCCCCCC(C)SCCO 62a_100000211926_200011217028 [0,1,1,0,0,0|0,0,2]=4 4448 B17R0.196 CCCCCCCCCCCCC(C)SCCO 62a_200011217028_100000211926 [0,1,1,0,0,0|0,0,2]=4 4449 B17R0.196 CCCCCCCCCCCCN(C)CCCC 2230a_100000207549_100011215052 [0,1,1,0,0,0|2,0,0]=4 4450 B17R0.196 CCCCCCCCCCCCN(C)CCCC 2230a_100000227908_100000210211 [0,1,1,0,0,0|2,0,0]=4 4451 B17R0.196 CCCCCCCCCCCCN(C)CCCC 269982a_100000207549_100000759014 [0,1,1,0,0,0|2,0,0]=4 4452 B17R0.196 CCCCCCCCCCCCN(C)CCCC 269982a_100000227908_100000210211 [0,1,1,0,0,0|2,0,0]=4 4453 B17R0.196 CCCCCCCCCCCCN(C)CCCC 270004a_100000207549_100011218549 [0,1,1,0,0,0|2,0,0]=4 4454 B17R0.196 CCCCCCCCCCCCN(C)CCCF 2230a_100000227908_100011934791 [0,1,1,0,0,0|2,0,0]=4 4455 B17R0.196 CCCCCCCCCCCCN(C)CCCF 269982a_100000227908_100011934791 [0,1,1,0,0,0|2,0,0]=4 4456 B17R0.196 CCCCCCCCCCCCN(C)CCCO 2230a_100000213112_100011215052 [0,1,1,0,0,0|2,0,0]=4 4457 B17R0.196 CCCCCCCCCCCCN(C)CCCO 2230a_100000227908_100000230001 [0,1,1,0,0,0|2,0,0]=4 4458 B17R0.196 CCCCCCCCCCCCN(C)CCCO 269982a_100000213112_100000759014 [0,1,1,0,0,0|2,0,0]=4 4459 B17R0.196 CCCCCCCCCCCCN(C)CCCO 269982a_100000227908_100011215043 [0,1,1,0,0,0|2,0,0]=4 4460 B17R0.196 CCCCCCCCCCCCN(C)CCCO 270004a_100000213112_100011218549 [0,1,1,0,0,0|2,0,0]=4 4461 B17R0.196 CCCCCCCCCCCCN(C)CCOC 2230a_100000227908_100011201679 [0,1,1,0,0,0|2,0,0]=4 4462 B17R0.196 CCCCCCCCCCCCN(C)CCOC 2230a_100000743101_100011215052 [0,1,1,0,0,0|2,0,0]=4 4463 B17R0.196 CCCCCCCCCCCCN(C)CCOC 269982a_100000227908_100000233755 [0,1,1,0,0,0|2,0,0]=4 4464 B17R0.196 CCCCCCCCCCCCN(C)CCOC 269982a_100000743101_100000759014 [0,1,1,0,0,0|2,0,0]=4 4465 B17R0.196 CCCCCCCCCCCCN(C)CCOC 270004a_100000743101_100011218549 [0,1,1,0,0,0|2,0,0]=4 4466 B17R0.196 CCCCCCCCCCCCN(C)CCSC 2230a_100000227908_100000751147 [0,1,1,0,0,0|2,0,0]=4 4467 B17R0.196 CCCCCCCCCCCCN(C)CCSC 2230a_100000686725_100011215052 [0,1,1,0,0,0|2,0,0]=4 4468 B17R0.196 CCCCCCCCCCCCN(C)CCSC 269982a_100000227908_100000212216 [0,1,1,0,0,0|2,0,0]=4 4469 B17R0.196 CCCCCCCCCCCCN(C)CCSC 269982a_100000686725_100000759014 [0,1,1,0,0,0|2,0,0]=4 4470 B17R0.196 CCCCCCCCCCCCN(C)CCSC 270004a_100000686725_100011218549 [0,1,1,0,0,0|2,0,0]=4 4471 B17R0.196 CCCCCCCCCCCCN(C)COCC 269982a_100000227908_100000739092 [0,1,1,0,0,0|2,0,0]=4 4472 B17R0.196 CCCCCCCCCCCNC(=O)CCC#N 11a_200011215754_100011934036 [0,1,1,0,0,0|1,0,1]=4 4473 B17R0.196 CCCCCCCCCCCNC(=O)CCC#N 1626a_200011215754_100011934036 [0,1,1,0,0,0|1,0,1]=4 4474 B17R0.196 CCCCCCCCCCCNC(=O)CCC#N 240690a_200011215754_100011934036 [0,1,1,0,0,0|1,0,1]=4 4475 B17R0.196 CCCCCCCCCCCNC(=O)CCC#N 527a_200011215754_100011934036 [0,1,1,0,0,0|1,0,1]=4 4476 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 11a_200011215754_100000210183 [0,1,1,0,0,0|1,0,0]=3 4477 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 1626a_200011215754_100000210183 [0,1,1,0,0,0|1,0,0]=3 4478 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 240690a_200011215754_100000210183 [0,1,1,0,0,0|1,0,0]=3 4479 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 527a_200011215754_100000210183 [0,1,1,0,0,0|1,0,0]=3 4480 B17R0.196 CCCCCCCCCCCNC(=O)CCOC 11a_200011215754_100000749529 [0,1,1,0,0,0|1,0,0]=3 4481 B17R0.196 CCCCCCCCCCCNC(=O)CCOC 1626a_200011215754_100000749529 [0,1,1,0,0,0|1,0,0]=3 4482 B17R0.196 CCCCCCCCCCCNC(=O)CCOC 240690a_200011215754_100000749529 [0,1,1,0,0,0|1,0,0]=3 4483 B17R0.196 CCCCCCCCCCCNC(=O)CCOC 527a_200011215754_100000749529 [0,1,1,0,0,0|1,0,0]=3 4484 B17R0.196 CCCCCCCCCCCNC(=O)CCSC 11a_200011215754_100000174002 [0,1,1,0,0,0|1,0,0]=3 4485 B17R0.196 CCCCCCCCCCCNC(=O)CCSC 1626a_200011215754_100000174002 [0,1,1,0,0,0|1,0,0]=3 4486 B17R0.196 CCCCCCCCCCCNC(=O)CCSC 240690a_200011215754_100000174002 [0,1,1,0,0,0|1,0,0]=3 4487 B17R0.196 CCCCCCCCCCCNC(=O)CCSC 527a_200011215754_100000174002 [0,1,1,0,0,0|1,0,0]=3 4488 B17R0.196 CCCCCCCCCCCNC(=O)COCC 11a_200011215754_100000211967 [0,1,1,0,0,0|1,0,0]=3 4489 B17R0.196 CCCCCCCCCCCNC(=O)COCC 1626a_200011215754_100000211967 [0,1,1,0,0,0|1,0,0]=3 4490 B17R0.196 CCCCCCCCCCCNC(=O)COCC 240690a_200011215754_100000211967 [0,1,1,0,0,0|1,0,0]=3 4491 B17R0.196 CCCCCCCCCCCNC(=O)COCC 527a_200011215754_100000211967 [0,1,1,0,0,0|1,0,0]=3 4492 B17R0.196 CCCCCCCCCCCNC(=O)CSCC 11a_200011215754_100000230394 [0,1,1,0,0,0|1,0,0]=3 4493 B17R0.196 CCCCCCCCCCCNC(=O)CSCC 1626a_200011215754_100000230394 [0,1,1,0,0,0|1,0,0]=3 4494 B17R0.196 CCCCCCCCCCCNC(=O)CSCC 240690a_200011215754_100000230394 [0,1,1,0,0,0|1,0,0]=3 4495 B17R0.196 CCCCCCCCCCCNC(=O)CSCC 527a_200011215754_100000230394 [0,1,1,0,0,0|1,0,0]=3 4496 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 2708a_100020643023_200011215754 [0,1,1,0,0,0|1,0,0]=3 4497 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 2708a_200011215754_100020643023 [0,1,1,0,0,0|1,0,0]=3 4498 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 273464a_100020643023_200011215754 [0,1,1,0,0,0|1,0,0]=3 4499 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 273464a_200011215754_100020643023 [0,1,1,0,0,0|1,0,0]=3 4500 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 512a_100020643023_200011215754 [0,1,1,0,0,0|1,0,0]=3 4501 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 512a_200011215754_100020643023 [0,1,1,0,0,0|1,0,0]=3 4502 B17R0.196 CCCCCCCCCCCNC(=O)NCCF 2708a_200011215754_100000724931 [0,1,1,0,0,0|2,0,0]=4 4503 B17R0.196 CCCCCCCCCCCNC(=O)NCCF 273464a_100000724931_200011215754 [0,1,1,0,0,0|2,0,0]=4 4504 B17R0.196 CCCCCCCCCCCNC(=O)NCCF 273464a_200011215754_100000724931 [0,1,1,0,0,0|2,0,0]=4 4505 B17R0.196 CCCCCCCCCCCNC(=O)NCCF 512a_200011215754_100000724931 [0,1,1,0,0,0|2,0,0]=4 4506 B17R0.196 CCCCCCCCCCCNC(=O)NCCO 2708a_200011215754_100000210304 [0,1,1,0,0,0|2,0,0]=4 4507 B17R0.196 CCCCCCCCCCCNC(=O)NCCO 273464a_100000210304_200011215754 [0,1,1,0,0,0|2,0,0]=4 4508 B17R0.196 CCCCCCCCCCCNC(=O)NCCO 273464a_200011215754_100000210304 [0,1,1,0,0,0|2,0,0]=4 4509 B17R0.196 CCCCCCCCCCCNC(=O)NCCO 512a_200011215754_100000210304 [0,1,1,0,0,0|2,0,0]=4 4510 B17R0.196 CCCCCCCCCCCNC(=O)NNCC 273464a_200011215754_100000756455 [0,1,1,0,0,0|2,0,0]=4 4511 B17R0.196 CCCCCCCCCCCNC(=O)NNCC 512a_100000756455_200011215754 [0,1,1,0,0,0|2,0,0]=4 4512 B17R0.196 CCCCCCCCCCCNC(=O)NNCC 512a_200011215754_100000756455 [0,1,1,0,0,0|2,0,0]=4 4513 B17R0.196 CCCCCCCCCCNCC(=O)NCCC 2230a_100000174927_100000210320 [0,1,1,0,0,0|1,0,0]=3 4514 B17R0.196 CCCCCCCCCCNCC(=O)NCCC 2230a_100000684558_100000183358 [0,1,1,0,0,0|1,0,0]=3 4515 B17R0.196 CCCCCCCCCCNCC(=O)NCCC 34a_100000684558_100000183358 [0,1,1,0,0,0|1,0,0]=3 4516 B17R0.196 CCCCCCCCCCNCC(=O)NCCF 2230a_100000725713_100000210320 [0,1,1,0,0,0|2,0,0]=4 4517 B17R0.196 CCCCCCCCCCNCC(=O)OCCC 2230a_100000684558_200011215008 [0,1,1,0,0,0|1,0,0]=3 4518 B17R0.196 CCCCCCCCCCNCC(=O)OCCC 34a_100000684558_200011215008 [0,1,1,0,0,0|1,0,0]=3 4519 B17R0.196 CCCCCCCCCCOCC(=O)NCCC 34a_100000210711_100000183358 [0,1,1,0,0,0|1,0,0]=3 4520 B17R0.196 CCCCCCCCCCOCC(=O)NCCC 7a_100000210711_100000183358 [0,1,1,0,0,0|1,0,0]=3 4521 B17R0.196 CCCCCCCCCCOCC(=O)OCCC 34a_100000210711_200011215008 [0,1,1,0,0,0|1,0,0]=3 4522 B17R0.196 CCCCCCCCCCOCC(=O)OCCC 7a_100000210711_200011215008 [0,1,1,0,0,0|1,0,0]=3 4523 B17R0.196 CCCCCCCCCCSCC(=O)NCCC 62a_100000183358_100000210320 [0,1,1,0,0,0|1,0,0]=3 4524 B17R0.196 CCCCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210320 [0,1,1,0,0,0|1,0,0]=3 4525 B17R0.196 CCCCCCCCCNCOC(=O)OCCC 34a_100000212291_200000139673 [0,1,1,0,0,0|2,0,0]=4 4526 B17R0.196 CCCCCCCCCOCOC(=O)OCCC 34a_100000210712_200000139673 [0,1,1,0,0,0|2,0,0]=4 4527 B17R0.196 CCCCCCCCCOCOC(=O)OCCC 7a_100000210712_200000139673 [0,1,1,0,0,0|2,0,0]=4 4528 B17R0.196 CCCCCCCCNCCCC(=O)NCCC 2230a_100000229939_100011194427 [0,1,1,0,0,0|1,0,0]=3 4529 B17R0.196 CCCCCCCCOCCCC(=O)NCCC 7a_100000210232_100011194427 [0,1,1,0,0,0|1,0,0]=3 4530 B17R0.196 CCCCCCCCSCCCC(=O)NCCC 62a_100000210759_100011194427 [0,1,1,0,0,0|1,0,0]=3 4531 B17R0.196 CCCCCCCCSCCCC(=O)NCCC 62a_100011194427_100000210317 [0,1,1,0,0,0|1,0,0]=3 4532 B17R0.196 CCCCCOCCOCCCC(=O)NCCC 7a_100011215259_100011194427 [0,1,1,0,0,0|2,0,0]=4 4533 B17R0.196 CCCCOCCCNCCCC(=O)NCCC 2230a_200000211371_100011194427 [0,1,1,0,0,0|2,0,0]=4 4534 B17R0.196 CCCCOCCCOCCCC(=O)NCCC 7a_200011215613_100011194427 [0,1,1,0,0,0|2,0,0]=4 4535 B17R0.196 CCCNC(=O)CCCCCCCCCCCO 240690a_100020643023_100000037981 [0,1,1,0,0,0|1,0,0]=3 4536 B17R0.196 CCCNC(=O)CCCNCCCCCCCO 2230a_100011996573_100011194427 [0,1,1,0,0,0|2,0,0]=4 4537 B17R0.196 CCCNC(=O)CCCOCCCCCCCBr 7a_100000760002_100011194427 [0,1,1,0,0,0|2,0,0]=4 4538 B17R0.196 CCCNC(=O)CCCOCCCCCCOC 7a_200012092642_100011194427 [0,1,1,0,0,0|2,0,0]=4 4539 B17R0.196 CCCNC(=O)CCCSCCCCCCCO 62a_100000760002_100011194427 [0,1,1,0,0,0|2,0,0]=4 4540 B17R0.196 CCCNC(=O)CCCSCCCCCCCO 62a_100011194427_100000760002 [0,1,1,0,0,0|2,0,0]=4 4541 B17R0.196 CCCNC(=O)CCCSCCCCCCOC 62a_100011194427_100011998445 [0,1,1,0,0,0|2,0,0]=4 4542 B17R0.196 CCCNC(=O)CCCSCCCCCCOC 62a_100011998445_100011194427 [0,1,1,0,0,0|2,0,0]=4 4543 B17R0.196 CCCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183358 [0,1,1,0,0,0|2,0,0]=4 4544 B17R0.196 CCCNC(=O)CNCCCCCCCCCO 2230a_100000174927_100009813782 [0,1,1,0,0,0|2,0,0]=4 4545 B17R0.196 CCCNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183358 [0,1,1,0,0,0|2,0,0]=4 4546 B17R0.196 CCCNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183358 [0,1,1,0,0,0|2,0,0]=4 4547 B17R0.196 CCCNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183358 [0,1,1,0,0,0|2,0,0]=4 4548 B17R0.196 CCCNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183358 [0,1,1,0,0,0|2,0,0]=4 4549 B17R0.196 CCCNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183358 [0,1,1,0,0,0|2,0,0]=4 4550 B17R0.196 CCCNC(=O)COCCCCCCCCCN 34a_100000078944_100000183358 [0,1,1,0,0,0|2,0,0]=4 4551 B17R0.196 CCCNC(=O)CSCCCCCCCCCO 62a_100000183358_100009813782 [0,1,1,0,0,0|2,0,0]=4 4552 B17R0.196 CCCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183358 [0,1,1,0,0,0|2,0,0]=4 4553 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100020643023 [0,1,1,0,0,0|2,0,0]=4 4554 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 2708a_100020643023_100000066964 [0,1,1,0,0,0|2,0,0]=4 4555 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100020643023 [0,1,1,0,0,0|2,0,0]=4 4556 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 273464a_100020643023_100000066964 [0,1,1,0,0,0|2,0,0]=4 4557 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100020643023 [0,1,1,0,0,0|2,0,0]=4 4558 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 512a_100020643023_100000066964 [0,1,1,0,0,0|2,0,0]=4 4559 B17R0.196 CCCOC(=O)CNCCCCCCCCCO 2230a_100000078944_200011215008 [0,1,1,0,0,0|2,0,0]=4 4560 B17R0.196 CCCOC(=O)CNCCCCCCCCCO 34a_100000078944_200011215008 [0,1,1,0,0,0|2,0,0]=4 4561 B17R0.196 CCCOC(=O)COCCCCCCCCCBr 34a_100009813782_200011215008 [0,1,1,0,0,0|2,0,0]=4 4562 B17R0.196 CCCOC(=O)COCCCCCCCCCBr 7a_100009813782_200011215008 [0,1,1,0,0,0|2,0,0]=4 4563 B17R0.196 CCCOC(=O)COCCCCCCCCCCl 34a_100009868337_200011215008 [0,1,1,0,0,0|2,0,0]=4 4564 B17R0.196 CCCOC(=O)COCCCCCCCCCCl 7a_100009868337_200011215008 [0,1,1,0,0,0|2,0,0]=4 4565 B17R0.196 CCCOC(=O)COCCCCCCCCCN 34a_100000078944_200011215008 [0,1,1,0,0,0|2,0,0]=4 4566 B17R0.196 CCCOC(=O)CSCCCCCCCCCO 62a_100009813782_200011215008 [0,1,1,0,0,0|2,0,0]=4 4567 B17R0.196 CCCOC(=O)CSCCCCCCCCCO 62a_200011215008_100009813782 [0,1,1,0,0,0|2,0,0]=4 4568 B17R0.196 CCNNC(=O)CCCCCCCCCCCO 22a_100000756455_100000037981 [0,1,1,0,0,0|2,0,0]=4 4569 B17R0.196 CCOCC(=O)CCCCCCCCCCCO 1458a_100000211967_100009812471 [0,1,1,0,0,0|1,0,0]=3 4570 B17R0.196 CCOCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000211967 [0,1,1,0,0,0|2,0,0]=4 4571 B17R0.196 CCSCC(=O)CCCCCCCCCCCO 1458a_100000230394_100009812471 [0,1,1,0,0,0|1,0,0]=3 4572 B17R0.196 CCSCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000230394 [0,1,1,0,0,0|2,0,0]=4 4573 B17R0.196 COCCC(=O)CCCCCCCCCCCO 1458a_100000749529_100009812471 [0,1,1,0,0,0|1,0,0]=3 4574 B17R0.196 COCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000749529 [0,1,1,0,0,0|2,0,0]=4 4575 B17R0.196 CSCCC(=O)CCCCCCCCCCCO 1458a_100000174002_100009812471 [0,1,1,0,0,0|1,0,0]=3 4576 B17R0.196 CSCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000174002 [0,1,1,0,0,0|2,0,0]=4 4577 B17R0.196 N#CCCC(=O)CCCCCCCCCCCO 1458a_100011934036_100009812471 [0,1,1,0,0,0|1,0,1]=4 4578 B17R0.196 O=C(CCCCCCCCCCCO)NCCF 240690a_100000724931_100000037981 [0,1,1,0,0,0|2,0,0]=4 4579 B17R0.196 O=C(CCCCCCCCCCCO)NCCO 240690a_100000210304_100000037981 [0,1,1,0,0,0|2,0,0]=4 4580 B17R0.231 C=C(CCC)CC(=O)CCCCCCCCCC 1458a_100000138376_100000210319 [0,1,1,0,0,0|1,0,1]=4 4581 B17R0.231 CCCC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000747444 [0,1,1,0,0,0|1,0,1]=4 4582 B17R0.231 CCCCCCCCCCC(=O)CC(=O)CCC 1458a_100000210375_100000747444 [0,1,1,0,0,0|0,0,1]=3 4583 B17R0.231 CCCCCCCCCCC(=O)CC(=O)NCC 1458a_100000210375_100000183381 [0,1,1,0,0,0|1,0,1]=4 4584 B17R0.231 CCCCCCCCCCC(=O)CC(=O)OCC 1458a_100000210375_100000188475 [0,1,1,0,0,0|1,0,1]=4 4585 B17R0.231 CCCCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210319 [0,1,1,0,0,0|1,0,1]=4 4586 B17R0.231 CCCCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210319 [0,1,1,0,0,0|1,0,1]=4 4587 B17R0.231 CCCCCCCCCCN(C)CC(=O)CCC 2230a_100000207566_100000747444 [0,1,1,0,0,0|1,0,0]=3 4588 B17R0.231 CCCCCCCCCCN(C)CC(=O)CCC 269982a_100000207566_100000747444 [0,1,1,0,0,0|1,0,0]=3 4589 B17R0.231 CCCCCCCCCCN(C)CC(=O)NCC 2230a_100000207566_100000183381 [0,1,1,0,0,0|2,0,0]=4 4590 B17R0.231 CCCCCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210320 [0,1,1,0,0,0|2,0,0]=4 4591 B17R0.231 CCCCCCCCCCN(C)CC(=O)NCC 269982a_100000207566_100000183381 [0,1,1,0,0,0|2,0,0]=4 4592 B17R0.231 CCCCCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210320 [0,1,1,0,0,0|2,0,0]=4 4593 B17R0.231 CCCCCCCCCCN(C)CC(=O)OCC 2230a_100000207566_100000188475 [0,1,1,0,0,0|2,0,0]=4 4594 B17R0.231 CCCCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210320 [0,1,1,0,0,0|2,0,0]=4 4595 B17R0.231 CCCCCCCCCCN(C)CC(=O)OCC 269982a_100000207566_100000188475 [0,1,1,0,0,0|2,0,0]=4 4596 B17R0.231 CCCCCCCCCNC(C)CC(=O)OCC 2230a_100000212291_100009817359 [0,1,1,0,0,0|2,0,0]=4 4597 B17R0.231 CCCCCCCCCOC(C)CC(=O)OCC 7a_100000210712_100009817359 [0,1,1,0,0,0|2,0,0]=4 4598 B17R0.231 CCCCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210328 [0,1,1,0,0,0|2,0,0]=4 4599 B17R0.231 CCCCCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210670 [0,1,1,0,0,0|2,0,0]=4 4600 B17R0.231 CCCCCCCCNC[C@@H](O)CC(=O)OCC 34a_100000229939_100000688340 [0,1,1,0,0,0|2,0,0]=4 4601 B17R0.231 CCCCCCCCOCC(=O)CC(=O)CCC 1458a_100000759886_100000747444 [0,1,1,0,0,0|1,0,1]=4 4602 B17R0.231 CCCCCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210232_100000688340 [0,1,1,0,0,0|2,0,0]=4 4603 B17R0.231 CCCCCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210232_100000688340 [0,1,1,0,0,0|2,0,0]=4 4604 B17R0.231 CCCCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210759_100000688340 [0,1,1,0,0,0|2,0,0]=4 4605 B17R0.231 CCCCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210317 [0,1,1,0,0,0|2,0,0]=4 4606 B17R0.247 CCCCCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210757 [0,1,1,0,0,0|1,0,1]=4 4607 B17R0.247 CCCCCCC(=O)CCCCCC(=O)OCC 1458a_100102632555_100000755133 [0,1,1,0,0,0|1,0,1]=4 4608 B17R0.247 CCCCCCC(C)CCOCCC(=O)NCC 7a_200011024964_100000737597 [0,1,1,0,0,0|2,0,0]=4 4609 B17R0.247 CCCCCCC(C)CCOCCC(=O)OCC 34a_200011024964_100000765890 [0,1,1,0,0,0|2,0,0]=4 4610 B17R0.247 CCCCCCC(C)CCOCCC(=O)OCC 7a_200011024964_100011206558 [0,1,1,0,0,0|2,0,0]=4 4611 B17R0.247 CCCCCCC(C)CCOCOC(=O)CCC 34a_200011024964_100000034017 [0,1,1,0,0,0|2,0,0]=4 4612 B17R0.247 CCCCCCC(C)NCCCCC(=O)OCC 2230a_100000210919_100000750268 [0,1,1,0,0,0|2,0,0]=4 4613 B17R0.247 CCCCCCC(C)NCCCCC(=O)OCC 34a_100000210919_100000750268 [0,1,1,0,0,0|2,0,0]=4 4614 B17R0.247 CCCCCCC(C)OCCCCC(=O)OCC 34a_100000210265_100000750268 [0,1,1,0,0,0|2,0,0]=4 4615 B17R0.247 CCCCCCC(C)OCCCCC(=O)OCC 7a_100000210265_100000750268 [0,1,1,0,0,0|2,0,0]=4 4616 B17R0.247 CCCCCCC(C)SCCCCC(=O)OCC 62a_100000750268_100011215978 [0,1,1,0,0,0|2,0,0]=4 4617 B17R0.247 CCCCCCC(C)SCCCCC(=O)OCC 62a_100011215978_100000750268 [0,1,1,0,0,0|2,0,0]=4 4618 B17R0.247 CCCCCCN(C)CCCCCC(=O)OCC 2230a_106256046315_100000755133 [0,1,1,0,0,0|2,0,0]=4 4619 B17R0.247 CCCCCCN(C)CCCCCC(=O)OCC 269982a_106256046315_100000755133 [0,1,1,0,0,0|2,0,0]=4 4620 B17R0.250 C#CCC(=O)CCCCCCCCCCCCC 1458a_100000756256_100000184674 [0,1,1,0,0,0|0,0,2]=4 4621 B17R0.250 C#CCC(=O)CCCCCCCCCCCCC 1458a_100011220946_100000210684 [0,1,1,0,0,0|0,0,2]=4 4622 B17R0.250 C#CCC(=O)CCCCCCCCCCCCO 1458a_100011220946_100009813331 [0,1,1,0,0,0|0,0,2]=4 4623 B17R0.250 C#CCC(=O)NCCCCCCCCCCCC 1626a_100000210451_100011220946 [0,1,1,0,0,0|0,0,2]=4 4624 B17R0.250 C#CCC(=O)NCCCCCCCCCCCC 527a_100000210451_100011220946 [0,1,1,0,0,0|0,0,2]=4 4625 B17R0.250 C#CCC(C)OCCCCCCCCCCCC 34a_100000685586_100000759014 [0,1,1,0,0,0|1,0,1]=4 4626 B17R0.250 C#CCC(C)OCCCCCCCCCCCC 7a_100000685586_100000759014 [0,1,1,0,0,0|1,0,1]=4 4627 B17R0.250 C#CCCCCCCCCCOCC(=O)CCC 7a_100000034437_100000747444 [0,1,1,0,0,0|0,0,2]=4 4628 B17R0.250 C/C=C/C(C)OCCCCCCCCCCCC 34a_200102604097_100000759014 [0,1,1,0,0,0|1,0,1]=4 4629 B17R0.250 C=CCC(=O)CCCCCCCCCCCCC 1458a_100000210193_100000210684 [0,1,1,0,0,0|0,0,2]=4 4630 B17R0.250 C=CCC(=O)CCCCCCCCCCCCC 1458a_100000756256_100000210623 [0,1,1,0,0,0|0,0,2]=4 4631 B17R0.250 C=CCC(=O)CCCCCCCCCCCCO 1458a_100000210193_100009813331 [0,1,1,0,0,0|0,0,2]=4 4632 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 11a_100000210451_100000210193 [0,1,1,0,0,0|0,0,2]=4 4633 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000210193 [0,1,1,0,0,0|0,0,2]=4 4634 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000210193 [0,1,1,0,0,0|0,0,2]=4 4635 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 527a_100000210451_100000210193 [0,1,1,0,0,0|0,0,2]=4 4636 B17R0.250 C=CCC(C)COCCCCCCCCCCC 34a_100009832082_100011215454 [0,1,1,0,0,0|1,0,0]=3 4637 B17R0.250 C=CCC(C)COCCCCCCCCCCC 7a_100009832082_100011215454 [0,1,1,0,0,0|1,0,0]=3 4638 B17R0.250 C=CCC(C)COCCCCCCCCCCO 34a_100009832082_100009813290 [0,1,1,0,0,0|2,0,0]=4 4639 B17R0.250 C=CCC(C)COCCCCCCCCCCO 7a_100009832082_100009813290 [0,1,1,0,0,0|2,0,0]=4 4640 B17R0.250 C=CCCCCCCCCCCCC(=O)CCC 1458a_100000211992_102130925996 [0,1,1,0,0,0|0,0,1]=3 4641 B17R0.250 C=CCCCCCCCCCCCC(=O)CCO 1458a_100011216618_102130925996 [0,1,1,0,0,0|1,0,1]=4 4642 B17R0.250 C=CCCCCCCCCCCCC(=O)COC 1458a_100000210968_102130925996 [0,1,1,0,0,0|1,0,1]=4 4643 B17R0.250 C=CCCCCCCCCCCCC(=O)CSC 1458a_100000184570_102130925996 [0,1,1,0,0,0|1,0,1]=4 4644 B17R0.250 C=CCCCCCCCCCNCC(=O)CCC 2230a_100000081888_100000747444 [0,1,1,0,0,0|0,0,2]=4 4645 B17R0.250 C=CCCCCCCCCCOCC(=O)CCC 7a_100000038209_100000747444 [0,1,1,0,0,0|0,0,2]=4 4646 B17R0.250 C=CCCCCCCCCCSCC(=O)CCC 62a_100000747444_100009814027 [0,1,1,0,0,0|0,0,2]=4 4647 B17R0.250 C=CCCCCCCCCCSCC(=O)CCC 62a_100009814027_100000747444 [0,1,1,0,0,0|0,0,2]=4 4648 B17R0.250 C=CCN(C)CCCCCCCCCCCCC 2230a_100000225617_100000210684 [0,1,1,0,0,0|2,0,0]=4 4649 B17R0.250 C=CCN(C)CCCCCCCCCCCCC 269982a_100000225617_100000210684 [0,1,1,0,0,0|2,0,0]=4 4650 B17R0.250 C=CCN(C)CCCCCCCCCCCCC 270004a_100000225617_200011215488 [0,1,1,0,0,0|2,0,0]=4 4651 B17R0.250 C=CCN(C)CCCCCCCCCCCCO 2230a_100000225617_100009813331 [0,1,1,0,0,0|2,0,0]=4 4652 B17R0.250 C=CCN(C)CCCCCCCCCCCCO 269982a_100000225617_100009813331 [0,1,1,0,0,0|2,0,0]=4 4653 B17R0.250 C=CC[C@@H](C)OCCCCCCCCCCCC 34a_100000731007_100000759014 [0,1,1,0,0,0|1,0,0]=3 4654 B17R0.250 C=CC[C@@H](C)OCCCCCCCCCCCC 7a_100000731007_100000759014 [0,1,1,0,0,0|1,0,0]=3 4655 B17R0.250 C=CC[C@@H](C)OCCCCCCCCCCCO 34a_100000731007_100009812471 [0,1,1,0,0,0|2,0,0]=4 4656 B17R0.250 C=CC[C@@H](C)OCCCCCCCCCCCO 7a_100000731007_100009812471 [0,1,1,0,0,0|2,0,0]=4 4657 B17R0.250 C=CC[C@@H](N)COCCCCCCCCCCC 34a_100020615467_100011215454 [0,1,1,0,0,0|2,0,0]=4 4658 B17R0.250 CC#CC(=O)CCCCCCCCCCCCC 1458a_100000763181_100000210684 [0,1,1,0,0,0|0,0,2]=4 4659 B17R0.250 CC#CC(=O)CCCCCCCCCCCCO 1458a_100000763181_100009813331 [0,1,1,0,0,0|0,0,2]=4 4660 B17R0.250 CC=CC(=O)CCCCCCCCCCCCC 1458a_100000210699_100000210684 [0,1,1,0,0,0|0,0,2]=4 4661 B17R0.250 CC=CC(=O)CCCCCCCCCCCCO 1458a_100000210699_100009813331 [0,1,1,0,0,0|0,0,2]=4 4662 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 11a_100000210451_100000210699 [0,1,1,0,0,0|0,0,2]=4 4663 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000210699 [0,1,1,0,0,0|0,0,2]=4 4664 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000210699 [0,1,1,0,0,0|0,0,2]=4 4665 B17R0.250 CCCC(=O)CCCCCCCCCCCCO 1458a_100000211992_100009813331 [0,1,1,0,0,0|0,0,0]=2 4666 B17R0.250 CCCC(=O)CCCCCCOCCCCCO 1458a_100000211992_200132310570 [0,1,1,0,0,0|1,0,0]=3 4667 B17R0.250 CCCC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747444 [0,1,1,0,0,0|1,0,0]=3 4668 B17R0.250 CCCC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747444 [0,1,1,0,0,0|1,0,0]=3 4669 B17R0.250 CCCC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747444 [0,1,1,0,0,0|1,0,0]=3 4670 B17R0.250 CCCC(=O)CSCCCCCCCCCCO 62a_100000747444_200000033068 [0,1,1,0,0,0|1,0,0]=3 4671 B17R0.250 CCCC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747444 [0,1,1,0,0,0|1,0,0]=3 4672 B17R0.250 CCCC(=O)OCNCCCCCCCCCO 2230a_100000078944_100000034017 [0,1,1,0,0,0|2,0,0]=4 4673 B17R0.250 CCCC(=O)OCNCCCCCCCCCO 34a_100000078944_100000034017 [0,1,1,0,0,0|2,0,0]=4 4674 B17R0.250 CCCC(=O)OCOCCCCCCCCCBr 34a_100009813782_100000034017 [0,1,1,0,0,0|2,0,0]=4 4675 B17R0.250 CCCC(=O)OCOCCCCCCCCCCl 34a_100009868337_100000034017 [0,1,1,0,0,0|2,0,0]=4 4676 B17R0.250 CCCC(=O)OCOCCCCCCCCCN 34a_100000078944_100000034017 [0,1,1,0,0,0|2,0,0]=4 4677 B17R0.250 CCCC(=O)OCSCCCCCCCCCO 62a_100009813782_100000034017 [0,1,1,0,0,0|2,0,0]=4 4678 B17R0.250 CCCCCCCC/C=C/COCC(=O)CCC 7a_200020667288_100000747444 [0,1,1,0,0,0|0,0,2]=4 4679 B17R0.250 CCCCCCCCCCC=NNC(=O)CCC 4a_100000189770_100011218819 [0,1,1,0,0,0|1,0,1]=4 4680 B17R0.250 CCCCCCCCCCCCCC(=O)CC#N 1458a_100000756256_100011214920 [0,1,1,0,0,0|1,0,1]=4 4681 B17R0.250 CCCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210684 [0,1,1,0,0,0|1,0,1]=4 4682 B17R0.250 CCCCCCCCCCCCCC(=O)CCF 1458a_100000756256_100011217306 [0,1,1,0,0,0|1,0,0]=3 4683 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100000756256_100000211926 [0,1,1,0,0,0|1,0,0]=3 4684 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210684 [0,1,1,0,0,0|1,0,0]=3 4685 B17R0.250 CCCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000210684 [0,1,1,0,0,0|1,0,0]=3 4686 B17R0.250 CCCCCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210684 [0,1,1,0,0,0|1,0,0]=3 4687 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 11a_100015525214_100000756256 [0,1,1,0,0,0|1,0,0]=3 4688 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000756256 [0,1,1,0,0,0|1,0,0]=3 4689 B17R0.250 CCCCCCCCCCCCCC(=O)NNC 22a_100016993582_100000756256 [0,1,1,0,0,0|2,0,0]=4 4690 B17R0.250 CCCCCCCCCCCCCN(C)CCC 2230a_100000747261_100000210684 [0,1,1,0,0,0|2,0,0]=4 4691 B17R0.250 CCCCCCCCCCCCCN(C)CCC 269982a_100000747261_100000210684 [0,1,1,0,0,0|2,0,0]=4 4692 B17R0.250 CCCCCCCCCCCCCN(C)CCC 270004a_100000747261_200011215488 [0,1,1,0,0,0|2,0,0]=4 4693 B17R0.250 CCCCCCCCCCCCNC(=O)CC#N 1626a_100000210451_100051588842 [0,1,1,0,0,0|1,0,1]=4 4694 B17R0.250 CCCCCCCCCCCCNC(=O)CC#N 240690a_100000210451_100051588842 [0,1,1,0,0,0|1,0,1]=4 4695 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 11a_100000210451_100000211992 [0,1,1,0,0,0|0,0,0]=2 4696 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 1626a_100000210451_100000211992 [0,1,1,0,0,0|0,0,0]=2 4697 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 240690a_100000210451_100000211992 [0,1,1,0,0,0|0,0,0]=2 4698 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 527a_100000210451_100000211992 [0,1,1,0,0,0|0,0,0]=2 4699 B17R0.250 CCCCCCCCCCCCNC(=O)CCO 240690a_100000210451_100011216618 [0,1,1,0,0,0|1,0,0]=3 4700 B17R0.250 CCCCCCCCCCCCNC(=O)COC 11a_100000210451_100000210968 [0,1,1,0,0,0|1,0,0]=3 4701 B17R0.250 CCCCCCCCCCCCNC(=O)COC 1626a_100000210451_100000210968 [0,1,1,0,0,0|1,0,0]=3 4702 B17R0.250 CCCCCCCCCCCCNC(=O)COC 240690a_100000210451_100000210968 [0,1,1,0,0,0|1,0,0]=3 4703 B17R0.250 CCCCCCCCCCCCNC(=O)COC 527a_100000210451_100000210968 [0,1,1,0,0,0|1,0,0]=3 4704 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 11a_100000210451_100000184570 [0,1,1,0,0,0|1,0,0]=3 4705 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 1626a_100000210451_100000184570 [0,1,1,0,0,0|1,0,0]=3 4706 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 240690a_100000210451_100000184570 [0,1,1,0,0,0|1,0,0]=3 4707 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 527a_100000210451_100000184570 [0,1,1,0,0,0|1,0,0]=3 4708 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 2708a_100000210451_100015525214 [0,1,1,0,0,0|1,0,0]=3 4709 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000210451 [0,1,1,0,0,0|1,0,0]=3 4710 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 273464a_100000210451_100015525214 [0,1,1,0,0,0|1,0,0]=3 4711 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000210451 [0,1,1,0,0,0|1,0,0]=3 4712 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 512a_100000210451_100015525214 [0,1,1,0,0,0|1,0,0]=3 4713 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 512a_100015525214_100000210451 [0,1,1,0,0,0|1,0,0]=3 4714 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 273464a_100000210451_100016993582 [0,1,1,0,0,0|2,0,0]=4 4715 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 512a_100000210451_100016993582 [0,1,1,0,0,0|2,0,0]=4 4716 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 512a_100016993582_100000210451 [0,1,1,0,0,0|2,0,0]=4 4717 B17R0.250 CCCCCCCCCCCCNC(C)CC#N 2230a_100000210451_100009813641 [0,1,1,0,0,0|1,0,1]=4 4718 B17R0.250 CCCCCCCCCCCCNC(C)CCC 2230a_100000210451_100000766640 [0,1,1,0,0,0|1,0,1]=4 4719 B17R0.250 CCCCCCCCCCCCNC(C)CCC 2230a_100000741246_100011215052 [0,1,1,0,0,0|1,0,1]=4 4720 B17R0.250 CCCCCCCCCCCCNC(C)CCC 270004a_100000210451_100000211909 [0,1,1,0,0,0|1,0,1]=4 4721 B17R0.250 CCCCCCCCCCCCNC(C)CCC 270004a_100000741246_100011218549 [0,1,1,0,0,0|1,0,1]=4 4722 B17R0.250 CCCCCCCCCCCCNC(C)CCC 34a_100000210451_100000766640 [0,1,1,0,0,0|1,0,1]=4 4723 B17R0.250 CCCCCCCCCCCCNC(C)CCO 2230a_100000210451_100009893172 [0,1,1,0,0,0|0,0,2]=4 4724 B17R0.250 CCCCCCCCCCCCNC(C)CCO 34a_100000210451_100009893172 [0,1,1,0,0,0|0,0,2]=4 4725 B17R0.250 CCCCCCCCCCCCNC(C)COC 2230a_100000210451_100000765312 [0,1,1,0,0,0|2,0,0]=4 4726 B17R0.250 CCCCCCCCCCCCNC(C)COC 270004a_100000210451_100000749346 [0,1,1,0,0,0|2,0,0]=4 4727 B17R0.250 CCCCCCCCCCCCNC(C)COC 34a_100000210451_100000765312 [0,1,1,0,0,0|2,0,0]=4 4728 B17R0.250 CCCCCCCCCCCCNC(C)CSC 270004a_100000210451_100011216314 [0,1,1,0,0,0|2,0,0]=4 4729 B17R0.250 CCCCCCCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100011215052 [0,1,1,0,0,0|1,0,1]=4 4730 B17R0.250 CCCCCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011215052 [0,1,1,0,0,0|0,0,2]=4 4731 B17R0.250 CCCCCCCCCCCCN[C@H](C)CCO 270004a_100000706166_100011218549 [0,1,1,0,0,0|0,0,2]=4 4732 B17R0.250 CCCCCCCCCCCCN[C@H](C)CCO 34a_100000706166_100000759014 [0,1,1,0,0,0|0,0,2]=4 4733 B17R0.250 CCCCCCCCCCCCN[C@H](C)COC 2230a_100000764878_100011215052 [0,1,1,0,0,0|2,0,0]=4 4734 B17R0.250 CCCCCCCCCCCCN[C@H](C)COC 270004a_100000764878_100011218549 [0,1,1,0,0,0|2,0,0]=4 4735 B17R0.250 CCCCCCCCCCCCOC(C)CC#N 7a_100000210810_100009813641 [0,1,1,0,0,0|1,0,1]=4 4736 B17R0.250 CCCCCCCCCCCCOC(C)CCO 34a_100000210810_100009893172 [0,1,1,0,0,0|0,0,2]=4 4737 B17R0.250 CCCCCCCCCCCCOC(C)CCO 7a_100000210810_100009893172 [0,1,1,0,0,0|0,0,2]=4 4738 B17R0.250 CCCCCCCCCCCCOC(C)COC 34a_100000210810_100000765312 [0,1,1,0,0,0|2,0,0]=4 4739 B17R0.250 CCCCCCCCCCCCOC(C)COC 7a_100000210810_100000765312 [0,1,1,0,0,0|2,0,0]=4 4740 B17R0.250 CCCCCCCCCCCCO[C@H](C)COC 34a_100011934205_100000759014 [0,1,1,0,0,0|2,0,0]=4 4741 B17R0.250 CCCCCCCCCCCCSC(C)CC#N 62a_100009813641_100000759014 [0,1,1,0,0,0|1,0,1]=4 4742 B17R0.250 CCCCCCCCCCCCSC(C)CCO 62a_100009893172_100000759014 [0,1,1,0,0,0|0,0,2]=4 4743 B17R0.250 CCCCCCCCCCCCSC(C)COC 62a_100000765312_100000759014 [0,1,1,0,0,0|2,0,0]=4 4744 B17R0.250 CCCCCCCCCCCNCC(=O)CCC 2230a_200011215754_100000747444 [0,1,1,0,0,0|0,0,0]=2 4745 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011215454 [0,1,1,0,0,0|1,0,0]=3 4746 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 2230a_200011215754_100000183381 [0,1,1,0,0,0|1,0,0]=3 4747 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 34a_200011215754_100000183381 [0,1,1,0,0,0|1,0,0]=3 4748 B17R0.250 CCCCCCCCCCCNCC(=O)NCO 2230a_200011215754_100000185155 [0,1,1,0,0,0|2,0,0]=4 4749 B17R0.250 CCCCCCCCCCCNCC(=O)NCO 34a_200011215754_100000185155 [0,1,1,0,0,0|2,0,0]=4 4750 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 2230a_200011215754_100000188475 [0,1,1,0,0,0|1,0,0]=3 4751 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 34a_200011215754_100000188475 [0,1,1,0,0,0|1,0,0]=3 4752 B17R0.250 CCCCCCCCCCCNCC(C)CCC 2230a_200011215754_100011216630 [0,1,1,0,0,0|1,0,1]=4 4753 B17R0.250 CCCCCCCCCCCNCC(C)CCC 270004a_200011215754_100000243154 [0,1,1,0,0,0|1,0,1]=4 4754 B17R0.250 CCCCCCCCCCCNCC(C)CCC 34a_200011215754_100011216630 [0,1,1,0,0,0|1,0,1]=4 4755 B17R0.250 CCCCCCCCCCCOCC(=O)CCC 7a_100000210809_100000747444 [0,1,1,0,0,0|0,0,0]=2 4756 B17R0.250 CCCCCCCCCCCOCC(=O)NCC 34a_100000210809_100000183381 [0,1,1,0,0,0|1,0,0]=3 4757 B17R0.250 CCCCCCCCCCCOCC(=O)NCC 7a_100000210809_100000183381 [0,1,1,0,0,0|1,0,0]=3 4758 B17R0.250 CCCCCCCCCCCOCC(=O)NCO 34a_100000210809_100000185155 [0,1,1,0,0,0|2,0,0]=4 4759 B17R0.250 CCCCCCCCCCCOCC(=O)NCO 7a_100000210809_100000185155 [0,1,1,0,0,0|2,0,0]=4 4760 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 34a_100000210809_100000188475 [0,1,1,0,0,0|1,0,0]=3 4761 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 7a_100000210809_100000188475 [0,1,1,0,0,0|1,0,0]=3 4762 B17R0.250 CCCCCCCCCCCOCC(C)CCC 34a_100000210809_100011216630 [0,1,1,0,0,0|1,0,1]=4 4763 B17R0.250 CCCCCCCCCCCOCC(C)CCC 34a_100000688023_100011215454 [0,1,1,0,0,0|1,0,1]=4 4764 B17R0.250 CCCCCCCCCCCOCC(C)CCC 7a_100000210809_100011216630 [0,1,1,0,0,0|1,0,1]=4 4765 B17R0.250 CCCCCCCCCCCOCC(C)CCC 7a_100000688023_100011215454 [0,1,1,0,0,0|1,0,1]=4 4766 B17R0.250 CCCCCCCCCCCOCC(C)CCN 34a_106354213184_100011215454 [0,1,1,0,0,0|1,0,1]=4 4767 B17R0.250 CCCCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011215454 [0,1,1,0,0,0|1,0,1]=4 4768 B17R0.250 CCCCCCCCCCCSCC(=O)CCC 62a_100000747444_100011215454 [0,1,1,0,0,0|0,0,0]=2 4769 B17R0.250 CCCCCCCCCCCSCC(=O)NCC 62a_100000183381_100011215454 [0,1,1,0,0,0|1,0,0]=3 4770 B17R0.250 CCCCCCCCCCCSCC(=O)NCO 62a_100000185155_100011215454 [0,1,1,0,0,0|2,0,0]=4 4771 B17R0.250 CCCCCCCCCCCSCC(=O)OCC 62a_100000188475_100011215454 [0,1,1,0,0,0|1,0,0]=3 4772 B17R0.250 CCCCCCCCCCNCCC(=O)NCC 2230a_100000684558_100000737597 [0,1,1,0,0,0|1,0,0]=3 4773 B17R0.250 CCCCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210320 [0,1,1,0,0,0|1,0,0]=3 4774 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 2230a_100000684558_100011206558 [0,1,1,0,0,0|1,0,0]=3 4775 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 34a_100000684558_100000765890 [0,1,1,0,0,0|1,0,0]=3 4776 B17R0.250 CCCCCCCCCCNCOC(=O)CCC 2230a_100000684558_100000034017 [0,1,1,0,0,0|1,0,0]=3 4777 B17R0.250 CCCCCCCCCCNCOC(=O)CCC 34a_100000684558_100000034017 [0,1,1,0,0,0|1,0,0]=3 4778 B17R0.250 CCCCCCCCCCOCCC(=O)NCC 7a_100000210711_100000737597 [0,1,1,0,0,0|1,0,0]=3 4779 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 34a_100000210711_100000765890 [0,1,1,0,0,0|1,0,0]=3 4780 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 7a_100000210711_100011206558 [0,1,1,0,0,0|1,0,0]=3 4781 B17R0.250 CCCCCCCCCCOCCC(C)CCC 34a_100011217855_100000210320 [0,1,1,0,0,0|1,0,1]=4 4782 B17R0.250 CCCCCCCCCCOCCC(C)CCC 7a_100011217855_100000210320 [0,1,1,0,0,0|1,0,1]=4 4783 B17R0.250 CCCCCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210320 [0,1,1,0,0,0|1,0,1]=4 4784 B17R0.250 CCCCCCCCCCOCOC(=O)CCC 34a_100000210711_100000034017 [0,1,1,0,0,0|1,0,0]=3 4785 B17R0.250 CCCCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210320 [0,1,1,0,0,0|1,0,0]=3 4786 B17R0.250 CCCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210320 [0,1,1,0,0,0|1,0,0]=3 4787 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 2230a_100000212291_100009991533 [0,1,1,0,0,0|1,0,0]=3 4788 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 34a_100000212291_100009991533 [0,1,1,0,0,0|1,0,0]=3 4789 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 34a_100000210712_100009991533 [0,1,1,0,0,0|1,0,0]=3 4790 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100000210712_100011215271 [0,1,1,0,0,0|1,0,0]=3 4791 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210328 [0,1,1,0,0,0|1,0,0]=3 4792 B17R0.250 CCCCCCCCCOCCCC(C)CCC 34a_100011713154_100011214924 [0,1,1,0,0,0|1,0,1]=4 4793 B17R0.250 CCCCCCCCCOCCCC(C)CCC 7a_100011713154_100000210328 [0,1,1,0,0,0|1,0,1]=4 4794 B17R0.250 CCCCCCCCCOCCNC(=O)OCC 34a_100000158857_100011214924 [0,1,1,0,0,0|2,0,0]=4 4795 B17R0.250 CCCCCCCCCOCCNC(=O)OCC 7a_100000210712_200011445536 [0,1,1,0,0,0|2,0,0]=4 4796 B17R0.250 CCCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210670 [0,1,1,0,0,0|1,0,0]=3 4797 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 2230a_100000229939_100000750268 [0,1,1,0,0,0|1,0,0]=3 4798 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 34a_100000229939_100000750268 [0,1,1,0,0,0|1,0,0]=3 4799 B17R0.250 CCCCCCCCNCCOCC(=O)OCC 2230a_100000229939_100000088970 [0,1,1,0,0,0|2,0,0]=4 4800 B17R0.250 CCCCCCCCNCCOCC(=O)OCC 34a_100000229939_100000088970 [0,1,1,0,0,0|2,0,0]=4 4801 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 34a_100000210232_100000750268 [0,1,1,0,0,0|1,0,0]=3 4802 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 7a_100000210232_100000750268 [0,1,1,0,0,0|1,0,0]=3 4803 B17R0.250 CCCCCCCCOCCOCC(=O)OCC 34a_100000210232_100000088970 [0,1,1,0,0,0|2,0,0]=4 4804 B17R0.250 CCCCCCCCOCCOCC(=O)OCC 7a_100000210232_100000088970 [0,1,1,0,0,0|2,0,0]=4 4805 B17R0.250 CCCCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210759 [0,1,1,0,0,0|2,0,0]=4 4806 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000210759_100000750268 [0,1,1,0,0,0|1,0,0]=3 4807 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210317 [0,1,1,0,0,0|1,0,0]=3 4808 B17R0.250 CCCCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210317 [0,1,1,0,0,0|2,0,0]=4 4809 B17R0.250 CCCCCCCCSCCOCC(=O)OCC 62a_100000210759_100000088970 [0,1,1,0,0,0|2,0,0]=4 4810 B17R0.250 CCCCCCCNCCCCCC(=O)OCC 2230a_100000229938_100000755133 [0,1,1,0,0,0|1,0,0]=3 4811 B17R0.250 CCCCCCCNCCCOCC(=O)OCC 2230a_100000229938_100009893628 [0,1,1,0,0,0|2,0,0]=4 4812 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 34a_100000210272_100000755133 [0,1,1,0,0,0|1,0,0]=3 4813 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100000210272_100000755133 [0,1,1,0,0,0|1,0,0]=3 4814 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210614 [0,1,1,0,0,0|1,0,0]=3 4815 B17R0.250 CCCCCCCOCCCOCC(=O)OCC 34a_100000210272_100009893628 [0,1,1,0,0,0|2,0,0]=4 4816 B17R0.250 CCCCCCCOCCCOCC(=O)OCC 7a_100000210272_100009893628 [0,1,1,0,0,0|2,0,0]=4 4817 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000210614_100000755133 [0,1,1,0,0,0|1,0,0]=3 4818 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210316 [0,1,1,0,0,0|1,0,0]=3 4819 B17R0.250 CCCCCCCSCCCOCC(=O)OCC 62a_100000210614_100009893628 [0,1,1,0,0,0|2,0,0]=4 4820 B17R0.250 CCCCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210316 [0,1,1,0,0,0|2,0,0]=4 4821 B17R0.250 CCCCCCNCCCCCCC(=O)OCC 2230a_100000210581_100009814379 [0,1,1,0,0,0|1,0,0]=3 4822 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 34a_100000210259_100009814379 [0,1,1,0,0,0|1,0,0]=3 4823 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 7a_100000210259_100009814379 [0,1,1,0,0,0|1,0,0]=3 4824 B17R0.250 CCCCCCOCCOCCCC(=O)OCC 34a_100000691444_100009991533 [0,1,1,0,0,0|2,0,0]=4 4825 B17R0.250 CCCCCCOCCOCCCC(=O)OCC 7a_100000691444_100011215271 [0,1,1,0,0,0|2,0,0]=4 4826 B17R0.250 CCCCCCSCCCCCCC(=O)OCC 62a_100000210314_100009814379 [0,1,1,0,0,0|1,0,0]=3 4827 B17R0.250 CCCCCNCCCCCCCC(=O)OCC 2230a_100000209983_100009991516 [0,1,1,0,0,0|1,0,0]=3 4828 B17R0.250 CCCCCNCCOCCCCC(=O)OCC 34a_100000224656_100000750268 [0,1,1,0,0,0|2,0,0]=4 4829 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 34a_100000210253_100009991516 [0,1,1,0,0,0|1,0,0]=3 4830 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 7a_100000210253_100009991516 [0,1,1,0,0,0|1,0,0]=3 4831 B17R0.250 CCCCCOCCOCCCCC(=O)OCC 34a_100011215259_100000750268 [0,1,1,0,0,0|2,0,0]=4 4832 B17R0.250 CCCCCOCCOCCCCC(=O)OCC 7a_100011215259_100000750268 [0,1,1,0,0,0|2,0,0]=4 4833 B17R0.250 CCCCCSCCCCCCCC(=O)OCC 62a_100000210326_100009991516 [0,1,1,0,0,0|1,0,0]=3 4834 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 2230a_100000102301_100010175975 [0,1,1,0,0,0|1,0,0]=3 4835 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 7a_106832991798_100010175975 [0,1,1,0,0,0|1,0,0]=3 4836 B17R0.250 CCCCNCCCCOCCCC(=O)OCC 34a_200011216965_100009991533 [0,1,1,0,0,0|2,0,0]=4 4837 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 34a_100000210227_100010175975 [0,1,1,0,0,0|1,0,0]=3 4838 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 7a_100000210227_100010175975 [0,1,1,0,0,0|1,0,0]=3 4839 B17R0.250 CCCCOCCCCOCCCC(=O)OCC 34a_200000760531_100009991533 [0,1,1,0,0,0|2,0,0]=4 4840 B17R0.250 CCCCOCCCCOCCCC(=O)OCC 7a_200000760531_100011215271 [0,1,1,0,0,0|2,0,0]=4 4841 B17R0.250 CCCCOCCCNCCCCC(=O)OCC 2230a_200000211371_100000750268 [0,1,1,0,0,0|2,0,0]=4 4842 B17R0.250 CCCCOCCCNCCCCC(=O)OCC 34a_200000211371_100000750268 [0,1,1,0,0,0|2,0,0]=4 4843 B17R0.250 CCCCOCCCOCCCCC(=O)OCC 34a_200011215613_100000750268 [0,1,1,0,0,0|2,0,0]=4 4844 B17R0.250 CCCCOCCCOCCCCC(=O)OCC 7a_200011215613_100000750268 [0,1,1,0,0,0|2,0,0]=4 4845 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 34a_100000210238_100000755133 [0,1,1,0,0,0|2,0,0]=4 4846 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 7a_100000210238_100000755133 [0,1,1,0,0,0|2,0,0]=4 4847 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 7a_100011214988_100000743108 [0,1,1,0,0,0|2,0,0]=4 4848 B17R0.250 CCCCOCCSCCCCCC(=O)OCC 62a_100000743108_100000755133 [0,1,1,0,0,0|2,0,0]=4 4849 B17R0.250 CCCCOCCSCCCCCC(=O)OCC 62a_100000755133_100000743108 [0,1,1,0,0,0|2,0,0]=4 4850 B17R0.250 CCCCOCSCCCCCCC(=O)OCC 62a_100011995733_100009814379 [0,1,1,0,0,0|2,0,0]=4 4851 B17R0.250 CCCCSCCCCCCCCC(=O)OCC 62a_100000210211_100010175975 [0,1,1,0,0,0|1,0,0]=3 4852 B17R0.250 CCCCSCCNCCCCCC(=O)OCC 2230a_100025743550_100000755133 [0,1,1,0,0,0|2,0,0]=4 4853 B17R0.250 CCCCSCCOCCCCCC(=O)OCC 34a_200000230436_100000755133 [0,1,1,0,0,0|2,0,0]=4 4854 B17R0.250 CCCCSCCOCCCCCC(=O)OCC 7a_200000230436_100000755133 [0,1,1,0,0,0|2,0,0]=4 4855 B17R0.250 CCCN(C)CCCCCCCCCCCCO 2230a_100000747261_100009813331 [0,1,1,0,0,0|2,0,0]=4 4856 B17R0.250 CCCN(C)CCCCCCCCCCCCO 269982a_100000747261_100009813331 [0,1,1,0,0,0|2,0,0]=4 4857 B17R0.250 CCCOCCCCCCCCCC(=O)OCC 34a_100000210258_100009828014 [0,1,1,0,0,0|1,0,0]=3 4858 B17R0.250 CCCOCCCNCCCCCC(=O)OCC 2230a_100011217757_100000755133 [0,1,1,0,0,0|2,0,0]=4 4859 B17R0.250 CCCOCCCNCCCCCC(=O)OCC 34a_100011217757_100000755133 [0,1,1,0,0,0|2,0,0]=4 4860 B17R0.250 CCCOCCNCCCCCCC(=O)OCC 2230a_100161115042_100009814379 [0,1,1,0,0,0|2,0,0]=4 4861 B17R0.250 CCCOCCNCCCCCCC(=O)OCC 34a_100161115042_100009814379 [0,1,1,0,0,0|2,0,0]=4 4862 B17R0.250 CCCOCCOCCCCCCC(=O)OCC 34a_100000752267_100009814379 [0,1,1,0,0,0|2,0,0]=4 4863 B17R0.250 CCCOCCOCCCCCCC(=O)OCC 7a_100000752267_100009814379 [0,1,1,0,0,0|2,0,0]=4 4864 B17R0.250 CCCOCCSCCCCCCC(=O)OCC 62a_100011215938_100009814379 [0,1,1,0,0,0|2,0,0]=4 4865 B17R0.250 CCCSCCCCCCCCCC(=O)OCC 62a_100000210303_100009828014 [0,1,1,0,0,0|1,0,0]=3 4866 B17R0.250 CCCSCCNCCCCCCC(=O)OCC 2230a_100020603323_100009814379 [0,1,1,0,0,0|2,0,0]=4 4867 B17R0.250 CCCSCCOCCCCCCC(=O)OCC 34a_200000230433_100009814379 [0,1,1,0,0,0|2,0,0]=4 4868 B17R0.250 CCCSCCOCCCCCCC(=O)OCC 7a_200000230433_100009814379 [0,1,1,0,0,0|2,0,0]=4 4869 B17R0.250 CCNC(=O)CCCCCCCCCCCCO 240690a_100015525214_100102582631 [0,1,1,0,0,0|1,0,0]=3 4870 B17R0.250 CCNC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000737597 [0,1,1,0,0,0|2,0,0]=4 4871 B17R0.250 CCNC(=O)CCNCCCCCCCCCO 34a_100025743525_100009813782 [0,1,1,0,0,0|2,0,0]=4 4872 B17R0.250 CCNC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000737597 [0,1,1,0,0,0|2,0,0]=4 4873 B17R0.250 CCNC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000737597 [0,1,1,0,0,0|2,0,0]=4 4874 B17R0.250 CCNC(=O)CCSCCCCCCCCCO 62a_100000737597_100009813782 [0,1,1,0,0,0|2,0,0]=4 4875 B17R0.250 CCNC(=O)CCSCCCCCCCCCO 62a_100009813782_100000737597 [0,1,1,0,0,0|2,0,0]=4 4876 B17R0.250 CCNC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000183381 [0,1,1,0,0,0|2,0,0]=4 4877 B17R0.250 CCNC(=O)CNCCCCCCCCCCO 2230a_100016988866_100009813290 [0,1,1,0,0,0|2,0,0]=4 4878 B17R0.250 CCNC(=O)CNCCCCCCCCCCO 34a_100000066964_100000183381 [0,1,1,0,0,0|2,0,0]=4 4879 B17R0.250 CCNC(=O)COCCCCCCCCCCBr 34a_100009813290_100000183381 [0,1,1,0,0,0|2,0,0]=4 4880 B17R0.250 CCNC(=O)COCCCCCCCCCCBr 7a_100009813290_100000183381 [0,1,1,0,0,0|2,0,0]=4 4881 B17R0.250 CCNC(=O)COCCCCCCCCCCCl 34a_200000033068_100000183381 [0,1,1,0,0,0|2,0,0]=4 4882 B17R0.250 CCNC(=O)COCCCCCCCCCCCl 7a_200000033068_100000183381 [0,1,1,0,0,0|2,0,0]=4 4883 B17R0.250 CCNC(=O)COCCCCCCCCCCN 34a_100000066964_100000183381 [0,1,1,0,0,0|2,0,0]=4 4884 B17R0.250 CCNC(=O)CSCCCCCCCCCCO 62a_100000183381_200000033068 [0,1,1,0,0,0|2,0,0]=4 4885 B17R0.250 CCNC(=O)CSCCCCCCCCCCO 62a_100009813290_100000183381 [0,1,1,0,0,0|2,0,0]=4 4886 B17R0.250 CCNCCCCCCCCCCC(=O)OCC 2230a_100015525214_100009827693 [0,1,1,0,0,0|1,0,0]=3 4887 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 2230a_106832991635_100103168309 [0,1,1,0,0,0|1,0,0]=3 4888 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 34a_100102657272_100103168309 [0,1,1,0,0,0|1,0,0]=3 4889 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 7a_106832991635_100103168309 [0,1,1,0,0,0|1,0,0]=3 4890 B17R0.250 CCOC(=O)CCCCCCCCCCCOC 34a_100138415774_100103168309 [0,1,1,0,0,0|1,0,0]=3 4891 B17R0.250 CCOC(=O)CCCCCCCCCCCSC 62a_200000210301_100103168309 [0,1,1,0,0,0|1,0,0]=3 4892 B17R0.250 CCOC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100103168309 [0,1,1,0,0,0|1,0,0]=3 4893 B17R0.250 CCOC(=O)CCCCCCCCCCSCC 62a_100000210202_100009827693 [0,1,1,0,0,0|1,0,0]=3 4894 B17R0.250 CCOC(=O)CCCCCCCCCCSCF 62a_100015361967_100009827693 [0,1,1,0,0,0|2,0,0]=4 4895 B17R0.250 CCOC(=O)CCCCCCCCCNCCF 34a_100000724931_100009828014 [0,1,1,0,0,0|2,0,0]=4 4896 B17R0.250 CCOC(=O)CCCCCCCCCNCCO 2230a_100016997473_100009828014 [0,1,1,0,0,0|2,0,0]=4 4897 B17R0.250 CCOC(=O)CCCCCCCCCNCCO 34a_100016990907_100009828014 [0,1,1,0,0,0|2,0,0]=4 4898 B17R0.250 CCOC(=O)CCCCCCCCCOCCBr 34a_100000211926_100009828014 [0,1,1,0,0,0|2,0,0]=4 4899 B17R0.250 CCOC(=O)CCCCCCCCCOCCN 34a_100000210304_100009828014 [0,1,1,0,0,0|2,0,0]=4 4900 B17R0.250 CCOC(=O)CCCCCCCCCSCCF 62a_100011217306_100009828014 [0,1,1,0,0,0|2,0,0]=4 4901 B17R0.250 CCOC(=O)CCCCCCCCCSCCO 62a_100000211926_100009828014 [0,1,1,0,0,0|2,0,0]=4 4902 B17R0.250 CCOC(=O)CCCCCCCCCSCOC 62a_100000766300_100009828014 [0,1,1,0,0,0|2,0,0]=4 4903 B17R0.250 CCOC(=O)CCCCCCCCCSCSC 62a_100011218213_100009828014 [0,1,1,0,0,0|2,0,0]=4 4904 B17R0.250 CCOC(=O)CCCCCCCCNCCCF 2230a_100015189416_100010175975 [0,1,1,0,0,0|2,0,0]=4 4905 B17R0.250 CCOC(=O)CCCCCCCCNCCCF 34a_100015189416_100010175975 [0,1,1,0,0,0|2,0,0]=4 4906 B17R0.250 CCOC(=O)CCCCCCCCNCCOC 2230a_100000209980_100010175975 [0,1,1,0,0,0|2,0,0]=4 4907 B17R0.250 CCOC(=O)CCCCCCCCNCCSC 2230a_100020590264_100010175975 [0,1,1,0,0,0|2,0,0]=4 4908 B17R0.250 CCOC(=O)CCCCCCCCOCCCBr 34a_100011217188_100010175975 [0,1,1,0,0,0|2,0,0]=4 4909 B17R0.250 CCOC(=O)CCCCCCCCOCCCCl 34a_100000230001_100010175975 [0,1,1,0,0,0|2,0,0]=4 4910 B17R0.250 CCOC(=O)CCCCCCCCOCCCF 34a_100000759539_100010175975 [0,1,1,0,0,0|2,0,0]=4 4911 B17R0.250 CCOC(=O)CCCCCCCCOCCCN 34a_100000182051_100010175975 [0,1,1,0,0,0|2,0,0]=4 4912 B17R0.250 CCOC(=O)CCCCCCCCOCCOC 34a_100000210237_100010175975 [0,1,1,0,0,0|2,0,0]=4 4913 B17R0.250 CCOC(=O)CCCCCCCCOCCSC 34a_100000230434_100010175975 [0,1,1,0,0,0|2,0,0]=4 4914 B17R0.250 CCOC(=O)CCCCCCCCOCCSC 7a_100000230434_100010175975 [0,1,1,0,0,0|2,0,0]=4 4915 B17R0.250 CCOC(=O)CCCCCCCCSCCCF 62a_100011934791_100010175975 [0,1,1,0,0,0|2,0,0]=4 4916 B17R0.250 CCOC(=O)CCCCCCCCSCCCO 62a_100011215043_100010175975 [0,1,1,0,0,0|2,0,0]=4 4917 B17R0.250 CCOC(=O)CCCCCCCCSCCOC 62a_100000233755_100010175975 [0,1,1,0,0,0|2,0,0]=4 4918 B17R0.250 CCOC(=O)CCCCCCCCSCCSC 62a_100000212216_100010175975 [0,1,1,0,0,0|2,0,0]=4 4919 B17R0.250 CCOC(=O)CCCCCCCNCCCCO 2230a_100000750430_100009991516 [0,1,1,0,0,0|2,0,0]=4 4920 B17R0.250 CCOC(=O)CCCCCCCNCCCCO 34a_100000750430_100009991516 [0,1,1,0,0,0|2,0,0]=4 4921 B17R0.250 CCOC(=O)CCCCCCCNCCCOC 34a_100150723488_100009991516 [0,1,1,0,0,0|2,0,0]=4 4922 B17R0.250 CCOC(=O)CCCCCCCNCCCSC 2230a_100000749238_100009991516 [0,1,1,0,0,0|2,0,0]=4 4923 B17R0.250 CCOC(=O)CCCCCCCNCCSCC 2230a_100000106463_100009991516 [0,1,1,0,0,0|2,0,0]=4 4924 B17R0.250 CCOC(=O)CCCCCCCOCCCCBr 34a_100011216708_100009991516 [0,1,1,0,0,0|2,0,0]=4 4925 B17R0.250 CCOC(=O)CCCCCCCOCCCCCl 34a_100000210776_100009991516 [0,1,1,0,0,0|2,0,0]=4 4926 B17R0.250 CCOC(=O)CCCCCCCOCCCCCl 7a_100000210776_100009991516 [0,1,1,0,0,0|2,0,0]=4 4927 B17R0.250 CCOC(=O)CCCCCCCOCCCCF 34a_100011995726_100009991516 [0,1,1,0,0,0|2,0,0]=4 4928 B17R0.250 CCOC(=O)CCCCCCCOCCCCF 7a_100011995726_100009991516 [0,1,1,0,0,0|2,0,0]=4 4929 B17R0.250 CCOC(=O)CCCCCCCOCCCCI 34a_200012148704_100009991516 [0,1,1,0,0,0|2,0,0]=4 4930 B17R0.250 CCOC(=O)CCCCCCCOCCCCN 34a_100000750430_100009991516 [0,1,1,0,0,0|2,0,0]=4 4931 B17R0.250 CCOC(=O)CCCCCCCOCCCNC 34a_100000213112_100009991516 [0,1,1,0,0,0|2,0,0]=4 4932 B17R0.250 CCOC(=O)CCCCCCCOCCCOC 34a_100000740835_100009991516 [0,1,1,0,0,0|2,0,0]=4 4933 B17R0.250 CCOC(=O)CCCCCCCOCCCSC 34a_100000690336_100009991516 [0,1,1,0,0,0|2,0,0]=4 4934 B17R0.250 CCOC(=O)CCCCCCCOCCCSC 7a_100000690336_100009991516 [0,1,1,0,0,0|2,0,0]=4 4935 B17R0.250 CCOC(=O)CCCCCCCOCCSCC 34a_100000212035_100009991516 [0,1,1,0,0,0|2,0,0]=4 4936 B17R0.250 CCOC(=O)CCCCCCCOCCSCC 7a_100000212035_100009991516 [0,1,1,0,0,0|2,0,0]=4 4937 B17R0.250 CCOC(=O)CCCCCCCSCCCCF 62a_100000729493_100009991516 [0,1,1,0,0,0|2,0,0]=4 4938 B17R0.250 CCOC(=O)CCCCCCCSCCCCO 62a_100000210776_100009991516 [0,1,1,0,0,0|2,0,0]=4 4939 B17R0.250 CCOC(=O)CCCCCCCSCCCOC 62a_100000709357_100009991516 [0,1,1,0,0,0|2,0,0]=4 4940 B17R0.250 CCOC(=O)CCCCCCCSCCSCC 62a_100000757381_100009991516 [0,1,1,0,0,0|2,0,0]=4 4941 B17R0.250 CCOC(=O)CCCCCCNCCCCCO 2230a_100000762737_100009814379 [0,1,1,0,0,0|2,0,0]=4 4942 B17R0.250 CCOC(=O)CCCCCCNCCCCCO 34a_100000762737_100009814379 [0,1,1,0,0,0|2,0,0]=4 4943 B17R0.250 CCOC(=O)CCCCCCOCCCCCBr 34a_100000746331_100009814379 [0,1,1,0,0,0|2,0,0]=4 4944 B17R0.250 CCOC(=O)CCCCCCOCCCCCBr 7a_100000746331_100009814379 [0,1,1,0,0,0|2,0,0]=4 4945 B17R0.250 CCOC(=O)CCCCCCOCCCCCCl 34a_100000746330_100009814379 [0,1,1,0,0,0|2,0,0]=4 4946 B17R0.250 CCOC(=O)CCCCCCOCCCCCCl 7a_100000746330_100009814379 [0,1,1,0,0,0|2,0,0]=4 4947 B17R0.250 CCOC(=O)CCCCCCOCCCCCI 34a_200012148887_100009814379 [0,1,1,0,0,0|2,0,0]=4 4948 B17R0.250 CCOC(=O)CCCCCCOCCCCCI 7a_200012148887_100009814379 [0,1,1,0,0,0|2,0,0]=4 4949 B17R0.250 CCOC(=O)CCCCCCOCCCCCN 34a_100000762737_100009814379 [0,1,1,0,0,0|2,0,0]=4 4950 B17R0.250 CCOC(=O)CCCCCCOCCCCOC 34a_100000740925_100009814379 [0,1,1,0,0,0|2,0,0]=4 4951 B17R0.250 CCOC(=O)CCCCCCOCCCCSC 34a_100011217163_100009814379 [0,1,1,0,0,0|2,0,0]=4 4952 B17R0.250 CCOC(=O)CCCCCCOCCCCSC 7a_100011217163_100009814379 [0,1,1,0,0,0|2,0,0]=4 4953 B17R0.250 CCOC(=O)CCCCCCOCCCSCC 34a_100011216438_100009814379 [0,1,1,0,0,0|2,0,0]=4 4954 B17R0.250 CCOC(=O)CCCCCCOCCCSCC 7a_100011216438_100009814379 [0,1,1,0,0,0|2,0,0]=4 4955 B17R0.250 CCOC(=O)CCCCCCSCCCCCF 62a_100000729378_100009814379 [0,1,1,0,0,0|2,0,0]=4 4956 B17R0.250 CCOC(=O)CCCCCCSCCCCCO 62a_100000746330_100009814379 [0,1,1,0,0,0|2,0,0]=4 4957 B17R0.250 CCOC(=O)CCCCCCSCCCCOC 62a_100000730899_100009814379 [0,1,1,0,0,0|2,0,0]=4 4958 B17R0.250 CCOC(=O)CCCCCNCCCCCCO 2230a_100000686447_100000755133 [0,1,1,0,0,0|2,0,0]=4 4959 B17R0.250 CCOC(=O)CCCCCNCCCCCCO 34a_100000686447_100000755133 [0,1,1,0,0,0|2,0,0]=4 4960 B17R0.250 CCOC(=O)CCCCCNCCCCCOC 2230a_100000747528_100000755133 [0,1,1,0,0,0|2,0,0]=4 4961 B17R0.250 CCOC(=O)CCCCCNCCCCCOC 34a_100000747528_100000755133 [0,1,1,0,0,0|2,0,0]=4 4962 B17R0.250 CCOC(=O)CCCCCOCCCCCCBr 34a_100011215345_100000755133 [0,1,1,0,0,0|2,0,0]=4 4963 B17R0.250 CCOC(=O)CCCCCOCCCCCCBr 7a_100011215345_100000755133 [0,1,1,0,0,0|2,0,0]=4 4964 B17R0.250 CCOC(=O)CCCCCOCCCCCCCl 34a_100000766143_100000755133 [0,1,1,0,0,0|2,0,0]=4 4965 B17R0.250 CCOC(=O)CCCCCOCCCCCCCl 7a_100000766143_100000755133 [0,1,1,0,0,0|2,0,0]=4 4966 B17R0.250 CCOC(=O)CCCCCOCCCCCCF 34a_100000732779_100000755133 [0,1,1,0,0,0|2,0,0]=4 4967 B17R0.250 CCOC(=O)CCCCCOCCCCCCF 7a_100000732779_100000755133 [0,1,1,0,0,0|2,0,0]=4 4968 B17R0.250 CCOC(=O)CCCCCOCCCCCCF 7a_100011214988_100015922095 [0,1,1,0,0,0|2,0,0]=4 4969 B17R0.250 CCOC(=O)CCCCCOCCCCCCN 34a_100000686447_100000755133 [0,1,1,0,0,0|2,0,0]=4 4970 B17R0.250 CCOC(=O)CCCCCOCCCCCCO 7a_100011214988_100000766143 [0,1,1,0,0,0|2,0,0]=4 4971 B17R0.250 CCOC(=O)CCCCCOCCCCCNC 34a_100000722520_100000755133 [0,1,1,0,0,0|2,0,0]=4 4972 B17R0.250 CCOC(=O)CCCCCSCCCCCCF 62a_100000755133_100015922095 [0,1,1,0,0,0|2,0,0]=4 4973 B17R0.250 CCOC(=O)CCCCCSCCCCCCF 62a_100015922095_100000755133 [0,1,1,0,0,0|2,0,0]=4 4974 B17R0.250 CCOC(=O)CCCCCSCCCCCCO 62a_100000755133_100000766143 [0,1,1,0,0,0|2,0,0]=4 4975 B17R0.250 CCOC(=O)CCCCCSCCCCCCO 62a_100000766143_100000755133 [0,1,1,0,0,0|2,0,0]=4 4976 B17R0.250 CCOC(=O)CCCCNCCCCCCCO 2230a_100011996573_100000750268 [0,1,1,0,0,0|2,0,0]=4 4977 B17R0.250 CCOC(=O)CCCCNCCCCCCCO 34a_100011996573_100000750268 [0,1,1,0,0,0|2,0,0]=4 4978 B17R0.250 CCOC(=O)CCCCOCCCCCCCBr 34a_100000760002_100000750268 [0,1,1,0,0,0|2,0,0]=4 4979 B17R0.250 CCOC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000750268 [0,1,1,0,0,0|2,0,0]=4 4980 B17R0.250 CCOC(=O)CCCCOCCCCCCCN 34a_100011996573_100000750268 [0,1,1,0,0,0|2,0,0]=4 4981 B17R0.250 CCOC(=O)CCCCOCCCCCCOC 34a_200012092642_100000750268 [0,1,1,0,0,0|2,0,0]=4 4982 B17R0.250 CCOC(=O)CCCCOCCCCCCOC 7a_200012092642_100000750268 [0,1,1,0,0,0|2,0,0]=4 4983 B17R0.250 CCOC(=O)CCCCSCCCCCCCO 62a_100000750268_100000760002 [0,1,1,0,0,0|2,0,0]=4 4984 B17R0.250 CCOC(=O)CCCCSCCCCCCCO 62a_100000760002_100000750268 [0,1,1,0,0,0|2,0,0]=4 4985 B17R0.250 CCOC(=O)CCCCSCCCCCCOC 62a_100000750268_100011998445 [0,1,1,0,0,0|2,0,0]=4 4986 B17R0.250 CCOC(=O)CCCCSCCCCCCOC 62a_100011998445_100000750268 [0,1,1,0,0,0|2,0,0]=4 4987 B17R0.250 CCOC(=O)CCCNCCCCCCCCO 2230a_102515433106_100009991533 [0,1,1,0,0,0|2,0,0]=4 4988 B17R0.250 CCOC(=O)CCCNCCCCCCCCO 34a_102515433106_100009991533 [0,1,1,0,0,0|2,0,0]=4 4989 B17R0.250 CCOC(=O)CCCOCCCCCCCCBr 34a_100009813846_100009991533 [0,1,1,0,0,0|2,0,0]=4 4990 B17R0.250 CCOC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215271 [0,1,1,0,0,0|2,0,0]=4 4991 B17R0.250 CCOC(=O)CCCOCCCCCCCCCl 34a_100000033203_100009991533 [0,1,1,0,0,0|2,0,0]=4 4992 B17R0.250 CCOC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215271 [0,1,1,0,0,0|2,0,0]=4 4993 B17R0.250 CCOC(=O)CCCOCCCCCCCCN 34a_102515433106_100009991533 [0,1,1,0,0,0|2,0,0]=4 4994 B17R0.250 CCOC(=O)CCCOCCCCCCCCO 7a_100012001163_100000033203 [0,1,1,0,0,0|2,0,0]=4 4995 B17R0.250 CCOC(=O)CCCSCCCCCCCCO 62a_100000033203_100009991533 [0,1,1,0,0,0|2,0,0]=4 4996 B17R0.250 CCOC(=O)CCCSCCCCCCCCO 62a_100009991533_100000033203 [0,1,1,0,0,0|2,0,0]=4 4997 B17R0.250 CCOC(=O)CCNCCCCCCCCCO 2230a_100000078944_100011206558 [0,1,1,0,0,0|2,0,0]=4 4998 B17R0.250 CCOC(=O)CCNCCCCCCCCCO 34a_100000078944_100000765890 [0,1,1,0,0,0|2,0,0]=4 4999 B17R0.250 CCOC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000765890 [0,1,1,0,0,0|2,0,0]=4 5000 B17R0.250 CCOC(=O)CCOCCCCCCCCCBr 7a_100009813782_100011206558 [0,1,1,0,0,0|2,0,0]=4 5001 B17R0.250 CCOC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000765890 [0,1,1,0,0,0|2,0,0]=4 5002 B17R0.250 CCOC(=O)CCOCCCCCCCCCCl 7a_100009868337_100011206558 [0,1,1,0,0,0|2,0,0]=4 5003 B17R0.250 CCOC(=O)CCOCCCCCCCCCN 34a_100000078944_100000765890 [0,1,1,0,0,0|2,0,0]=4 5004 B17R0.250 CCOC(=O)CCSCCCCCCCCCO 62a_100000765890_100009813782 [0,1,1,0,0,0|2,0,0]=4 5005 B17R0.250 CCOC(=O)CCSCCCCCCCCCO 62a_100009813782_100000765890 [0,1,1,0,0,0|2,0,0]=4 5006 B17R0.250 CCOC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000188475 [0,1,1,0,0,0|2,0,0]=4 5007 B17R0.250 CCOC(=O)CNCCCCCCCCCCO 34a_100000066964_100000188475 [0,1,1,0,0,0|2,0,0]=4 5008 B17R0.250 CCOC(=O)COCCCCCCCCCCBr 34a_100009813290_100000188475 [0,1,1,0,0,0|2,0,0]=4 5009 B17R0.250 CCOC(=O)COCCCCCCCCCCBr 7a_100009813290_100000188475 [0,1,1,0,0,0|2,0,0]=4 5010 B17R0.250 CCOC(=O)COCCCCCCCCCCCl 34a_200000033068_100000188475 [0,1,1,0,0,0|2,0,0]=4 5011 B17R0.250 CCOC(=O)COCCCCCCCCCCCl 7a_200000033068_100000188475 [0,1,1,0,0,0|2,0,0]=4 5012 B17R0.250 CCOC(=O)COCCCCCCCCCCN 34a_100000066964_100000188475 [0,1,1,0,0,0|2,0,0]=4 5013 B17R0.250 CCOC(=O)CSCCCCCCCCCCO 62a_100000188475_200000033068 [0,1,1,0,0,0|2,0,0]=4 5014 B17R0.250 CCOC(=O)CSCCCCCCCCCCO 62a_100009813290_100000188475 [0,1,1,0,0,0|2,0,0]=4 5015 B17R0.250 CCOCCCCCCCCCCC(=O)OCC 34a_100121572206_100009827693 [0,1,1,0,0,0|1,0,0]=3 5016 B17R0.250 CCOCCCNCCCCCCC(=O)OCC 2230a_100000210961_100009814379 [0,1,1,0,0,0|2,0,0]=4 5017 B17R0.250 CCOCCCNCCCCCCC(=O)OCC 34a_100000210961_100009814379 [0,1,1,0,0,0|2,0,0]=4 5018 B17R0.250 CCOCCCOCCCCCCC(=O)OCC 34a_100000757476_100009814379 [0,1,1,0,0,0|2,0,0]=4 5019 B17R0.250 CCOCCCOCCCCCCC(=O)OCC 7a_100000757476_100009814379 [0,1,1,0,0,0|2,0,0]=4 5020 B17R0.250 CCOCCCSCCCCCCC(=O)OCC 62a_100012232248_100009814379 [0,1,1,0,0,0|2,0,0]=4 5021 B17R0.250 CCOCCNCCCCCCCC(=O)OCC 2230a_102516460346_100009991516 [0,1,1,0,0,0|2,0,0]=4 5022 B17R0.250 CCOCCNCCCCCCCC(=O)OCC 34a_102516460346_100009991516 [0,1,1,0,0,0|2,0,0]=4 5023 B17R0.250 CCOCCOCCCCCCCC(=O)OCC 34a_100000210136_100009991516 [0,1,1,0,0,0|2,0,0]=4 5024 B17R0.250 CCOCCOCCCCCCCC(=O)OCC 7a_100000210136_100009991516 [0,1,1,0,0,0|2,0,0]=4 5025 B17R0.250 CCOCCSCCCCCCCC(=O)OCC 62a_100000210147_100009991516 [0,1,1,0,0,0|2,0,0]=4 5026 B17R0.250 CCOCSCCCCCCCCC(=O)OCC 62a_100000739092_100010175975 [0,1,1,0,0,0|2,0,0]=4 5027 B17R0.250 CNNC(=O)CCCCCCCCCCCCO 22a_100016993582_100102582631 [0,1,1,0,0,0|2,0,0]=4 5028 B17R0.250 COCC(=O)CCCCCCCCCCCCO 1458a_100000210968_100009813331 [0,1,1,0,0,0|1,0,0]=3 5029 B17R0.250 COCC(=O)CCCCCCOCCCCCO 1458a_100000210968_200132310570 [0,1,1,0,0,0|2,0,0]=4 5030 B17R0.250 CSCC(=O)CCCCCCCCCCCCO 1458a_100000184570_100009813331 [0,1,1,0,0,0|1,0,0]=3 5031 B17R0.250 CSCC(=O)CCCCCCOCCCCCO 1458a_100000184570_200132310570 [0,1,1,0,0,0|2,0,0]=4 5032 B17R0.250 N#CCC(=O)CCCCCCCCCCCCO 1458a_100051588842_100009813331 [0,1,1,0,0,0|1,0,1]=4 5033 B17R0.250 O=C(CCO)CCCCCCCCCCCCO 1458a_100011216618_100009813331 [0,1,1,0,0,0|1,0,0]=3 5034 B17R0.250 O=C(CCO)CCCCCCOCCCCCO 1458a_100011216618_200132310570 [0,1,1,0,0,0|2,0,0]=4 5035 B17R0.256 CCCC(=O)CCCCCCCCCCC(=O)N 1458a_100000211992_200010167045 [0,1,1,0,0,0|1,0,1]=4 5036 B17R0.256 CCCC(=O)OCOCCCCCCCC(C)C 34a_200000210741_100000034017 [0,1,1,0,0,0|2,0,0]=4 5037 B17R0.256 CCNC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000737597 [0,1,1,0,0,0|2,0,0]=4 5038 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)C 1458a_100000070787_100009827693 [0,1,1,0,0,0|1,0,1]=4 5039 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)C 1458a_200020656980_200000210301 [0,1,1,0,0,0|1,0,1]=4 5040 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)[13CH3] 1458a_200020656980_200025704644 [0,1,1,0,0,0|1,0,1]=4 5041 B17R0.256 CCOC(=O)CCCCCCCCCCN(C)C 2230a_100102631434_100009827693 [0,1,1,0,0,0|2,0,0]=4 5042 B17R0.256 CCOC(=O)CCCCCCCCCCN(C)C 269982a_100102631434_100009827693 [0,1,1,0,0,0|2,0,0]=4 5043 B17R0.256 CCOC(=O)CCCCCCCCCNC(C)C 2230a_100138425928_100009828014 [0,1,1,0,0,0|2,0,0]=4 5044 B17R0.256 CCOC(=O)CCCCCCCCCNC(C)C 34a_100138425928_100009828014 [0,1,1,0,0,0|2,0,0]=4 5045 B17R0.256 CCOC(=O)CCCCCCCCCOC(C)C 34a_100000212225_100009828014 [0,1,1,0,0,0|2,0,0]=4 5046 B17R0.256 CCOC(=O)CCCCCCCCCSC(C)C 62a_100000210206_100009828014 [0,1,1,0,0,0|2,0,0]=4 5047 B17R0.256 CCOC(=O)CCCCCCCCNCC(C)C 2230a_100000210953_100010175975 [0,1,1,0,0,0|2,0,0]=4 5048 B17R0.256 CCOC(=O)CCCCCCCCNCC(C)C 34a_100000210953_100010175975 [0,1,1,0,0,0|2,0,0]=4 5049 B17R0.256 CCOC(=O)CCCCCCCCNCC(C)O 2230a_100000210904_100010175975 [0,1,1,0,0,0|2,0,0]=4 5050 B17R0.256 CCOC(=O)CCCCCCCCNCC(C)O 34a_100000210904_100010175975 [0,1,1,0,0,0|2,0,0]=4 5051 B17R0.256 CCOC(=O)CCCCCCCCOCC(C)Br 34a_100012180447_100010175975 [0,1,1,0,0,0|2,0,0]=4 5052 B17R0.256 CCOC(=O)CCCCCCCCOCC(C)C 34a_100000210257_100010175975 [0,1,1,0,0,0|2,0,0]=4 5053 B17R0.256 CCOC(=O)CCCCCCCCOCC(C)F 34a_100015925927_100010175975 [0,1,1,0,0,0|2,0,0]=4 5054 B17R0.256 CCOC(=O)CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010175975 [0,1,1,0,0,0|2,0,0]=4 5055 B17R0.256 CCOC(=O)CCCCCCCCOC[C@@H](C)N 34a_100000737577_100010175975 [0,1,1,0,0,0|2,0,0]=4 5056 B17R0.256 CCOC(=O)CCCCCCCCSCC(C)C 62a_100000210624_100010175975 [0,1,1,0,0,0|2,0,0]=4 5057 B17R0.256 CCOC(=O)CCCCCCCCSCC(C)O 62a_100011218427_100010175975 [0,1,1,0,0,0|2,0,0]=4 5058 B17R0.256 CCOC(=O)CCCCCCCCSC[C@@H](C)O 62a_100009817552_100010175975 [0,1,1,0,0,0|2,0,0]=4 5059 B17R0.256 CCOC(=O)CCCCCCCNCCC(C)O 2230a_200000755665_100009991516 [0,1,1,0,0,0|2,0,0]=4 5060 B17R0.256 CCOC(=O)CCCCCCCOCCC(C)Br 34a_100009893172_100009991516 [0,1,1,0,0,0|2,0,0]=4 5061 B17R0.256 CCOC(=O)CCCCCCCOCCC(C)C 34a_100000210254_100009991516 [0,1,1,0,0,0|2,0,0]=4 5062 B17R0.256 CCOC(=O)CCCCCCCOCCC(C)C 7a_100000210254_100009991516 [0,1,1,0,0,0|2,0,0]=4 5063 B17R0.256 CCOC(=O)CCCCCCCOCC[C@@H](C)N 34a_100000706166_100009991516 [0,1,1,0,0,0|2,0,0]=4 5064 B17R0.256 CCOC(=O)CCCCCCCSCCC(C)C 62a_100000210312_100009991516 [0,1,1,0,0,0|2,0,0]=4 5065 B17R0.256 CCOC(=O)CCCCCCCSCCC(C)O 62a_100012276601_100009991516 [0,1,1,0,0,0|2,0,0]=4 5066 B17R0.256 CCOC(=O)CCCCCCNCCCC(C)C 2230a_200000737386_100009814379 [0,1,1,0,0,0|2,0,0]=4 5067 B17R0.256 CCOC(=O)CCCCCCNCCCC(C)C 34a_200000737386_100009814379 [0,1,1,0,0,0|2,0,0]=4 5068 B17R0.256 CCOC(=O)CCCCCCOCCCC(C)C 34a_100000210774_100009814379 [0,1,1,0,0,0|2,0,0]=4 5069 B17R0.256 CCOC(=O)CCCCCCOCCCC(C)C 7a_100000210774_100009814379 [0,1,1,0,0,0|2,0,0]=4 5070 B17R0.256 CCOC(=O)CCCCCCSCCCC(C)C 62a_100011214892_100009814379 [0,1,1,0,0,0|2,0,0]=4 5071 B17R0.256 CCOC(=O)CCCCCCSCCCC(C)O 62a_200000718107_100009814379 [0,1,1,0,0,0|2,0,0]=4 5072 B17R0.256 CCOC(=O)CCCCCOCCCCC(C)C 34a_100011214890_100000755133 [0,1,1,0,0,0|2,0,0]=4 5073 B17R0.256 CCOC(=O)CCCCCOCCCCC(C)C 7a_100011214890_100000755133 [0,1,1,0,0,0|2,0,0]=4 5074 B17R0.256 CCOC(=O)CCCCCOCCCCC(C)C 7a_100011214988_100011216152 [0,1,1,0,0,0|2,0,0]=4 5075 B17R0.256 CCOC(=O)CCCCCSCCCCC(C)C 62a_100000755133_100011216152 [0,1,1,0,0,0|2,0,0]=4 5076 B17R0.256 CCOC(=O)CCCCCSCCCCC(C)C 62a_100011216152_100000755133 [0,1,1,0,0,0|2,0,0]=4 5077 B17R0.256 CCOC(=O)CCCCNCCCCCC(C)C 2230a_100011290863_100000750268 [0,1,1,0,0,0|2,0,0]=4 5078 B17R0.256 CCOC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100000750268 [0,1,1,0,0,0|2,0,0]=4 5079 B17R0.256 CCOC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100000750268 [0,1,1,0,0,0|2,0,0]=4 5080 B17R0.256 CCOC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000750268 [0,1,1,0,0,0|2,0,0]=4 5081 B17R0.256 CCOC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000750268 [0,1,1,0,0,0|2,0,0]=4 5082 B17R0.256 CCOC(=O)CCCCSCCCCCC(C)C 62a_100000750268_100000210682 [0,1,1,0,0,0|2,0,0]=4 5083 B17R0.256 CCOC(=O)CCCNCCCCCCC(C)C 2230a_100000211014_100009991533 [0,1,1,0,0,0|2,0,0]=4 5084 B17R0.256 CCOC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100009991533 [0,1,1,0,0,0|2,0,0]=4 5085 B17R0.256 CCOC(=O)CCOCCCCCCCC(C)C 34a_200000210741_100000765890 [0,1,1,0,0,0|2,0,0]=4 5086 B17R0.256 CCOC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100011206558 [0,1,1,0,0,0|2,0,0]=4 5087 B17R0.285 CCCC(=O)CCCCCCCCC(=O)OCC 1458a_100000211992_100010175975 [0,1,1,0,0,0|1,0,1]=4 5088 B17R0.285 CCCC(=O)CCCCCCCCC(=O)OCC 1458a_200000016031_100000210303 [0,1,1,0,0,0|1,0,1]=4 5089 B17R0.285 CCCC(C)CCCOCCCCC(=O)OCC 34a_100011713154_100000750268 [0,1,1,0,0,0|2,0,0]=4 5090 B17R0.285 CCCC(C)CCCOCCCCC(=O)OCC 7a_100011713154_100000750268 [0,1,1,0,0,0|2,0,0]=4 5091 B17R0.285 CCCC(C)CCOCCCCCC(=O)OCC 34a_100011217855_100000755133 [0,1,1,0,0,0|2,0,0]=4 5092 B17R0.285 CCCC(C)CCOCCCCCC(=O)OCC 7a_100011217855_100000755133 [0,1,1,0,0,0|2,0,0]=4 5093 B17R0.285 CCCC(C)COCCCCCCC(=O)OCC 34a_100000688023_100009814379 [0,1,1,0,0,0|2,0,0]=4 5094 B17R0.285 CCCC(C)COCCCCCCC(=O)OCC 7a_100000688023_100009814379 [0,1,1,0,0,0|2,0,0]=4 5095 B17R0.285 CCCC(C)CSCCCCCCC(=O)OCC 62a_100011216630_100009814379 [0,1,1,0,0,0|2,0,0]=4 5096 B17R0.285 CCCC(C)NCCCCCCCC(=O)OCC 2230a_100000741246_100009991516 [0,1,1,0,0,0|2,0,0]=4 5097 B17R0.285 CCCC(C)OCCCCCCCC(=O)OCC 34a_100000764384_100009991516 [0,1,1,0,0,0|2,0,0]=4 5098 B17R0.285 CCCC(C)OCCCCCCCC(=O)OCC 7a_100000764384_100009991516 [0,1,1,0,0,0|2,0,0]=4 5099 B17R0.285 CCCC(C)SCCCCCCCC(=O)OCC 62a_100000766640_100009991516 [0,1,1,0,0,0|2,0,0]=4 5100 B17R0.285 CCCN(C)CCCCCCCCC(=O)OCC 2230a_100000747261_100010175975 [0,1,1,0,0,0|2,0,0]=4 5101 B17R0.285 CCCN(C)CCCCCCCCC(=O)OCC 269982a_100000747261_100010175975 [0,1,1,0,0,0|2,0,0]=4 5102 B17R0.285 CCC[C@H](N)CCOCCCCCC(=O)OCC 34a_100015193777_100000755133 [0,1,1,0,0,0|2,0,0]=4 5103 B17R0.285 CCC[C@H](N)COCCCCCCC(=O)OCC 34a_100000732646_100009814379 [0,1,1,0,0,0|2,0,0]=4 5104 B17R0.383 CCCCCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000210326 [0,1,1,0,0,0|1,0,1]=4 5105 B17R0.383 CCCCCC(=O)CCCCCCC(=O)OCC 1458a_100000212188_100009814379 [0,1,1,0,0,0|1,0,1]=4 5106 B17R0.383 CCCCCC(C)NCCCCCC(=O)OCC 2230a_100000211957_100000755133 [0,1,1,0,0,0|2,0,0]=4 5107 B17R0.383 CCCCCC(C)OCCCCCC(=O)OCC 34a_100011215632_100000755133 [0,1,1,0,0,0|2,0,0]=4 5108 B17R0.383 CCCCCC(C)OCCCCCC(=O)OCC 7a_100011214988_200011218191 [0,1,1,0,0,0|2,0,0]=4 5109 B17R0.383 CCCCCC(C)OCCCCCC(=O)OCC 7a_100011215632_100000755133 [0,1,1,0,0,0|2,0,0]=4 5110 B17R0.383 CCCCCC(C)SCCCCCC(=O)OCC 62a_100000755133_200011218191 [0,1,1,0,0,0|2,0,0]=4 5111 B17R0.383 CCCCCC(C)SCCCCCC(=O)OCC 62a_200011218191_100000755133 [0,1,1,0,0,0|2,0,0]=4 5112 B17R0.383 CCCCCN(C)CCCCCCC(=O)OCC 2230a_100000223495_100009814379 [0,1,1,0,0,0|2,0,0]=4 5113 B17R0.383 CCCCCN(C)CCCCCCC(=O)OCC 269982a_100000223495_100009814379 [0,1,1,0,0,0|2,0,0]=4 5114 B17R0.1022 CCCCCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210759 [0,1,1,0,0,0|1,0,1]=4 5115 B17R0.1022 CCCCCCCCC(=O)CCCC(=O)OCC 1458a_100000210188_100011215271 [0,1,1,0,0,0|1,0,1]=4 5116 B17R0.1022 CCCCCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210759 [0,1,1,0,0,0|1,0,1]=4 5117 B17R0.1022 CCCCCCCCC(C)CNCC(=O)NCC 270004a_100016988866_100011995885 [0,1,1,0,0,0|2,0,0]=4 5118 B17R0.1022 CCCCCCCCC(C)COCC(=O)CCC 7a_200012125181_100000747444 [0,1,1,0,0,0|1,0,0]=3 5119 B17R0.1022 CCCCCCCCC(C)COCC(=O)NCC 34a_200012125181_100000183381 [0,1,1,0,0,0|2,0,0]=4 5120 B17R0.1022 CCCCCCCCC(C)COCC(=O)NCC 7a_200012125181_100000183381 [0,1,1,0,0,0|2,0,0]=4 5121 B17R0.1022 CCCCCCCCC(C)COCC(=O)OCC 34a_200012125181_100000188475 [0,1,1,0,0,0|2,0,0]=4 5122 B17R0.1022 CCCCCCCCC(C)COCC(=O)OCC 7a_200012125181_100000188475 [0,1,1,0,0,0|2,0,0]=4 5123 B17R0.1022 CCCCCCCCC(C)NCCC(=O)NCC 270004a_100025743525_100011216694 [0,1,1,0,0,0|2,0,0]=4 5124 B17R0.1022 CCCCCCCCC(C)OCCC(=O)NCC 7a_100000210740_100000737597 [0,1,1,0,0,0|2,0,0]=4 5125 B17R0.1022 CCCCCCCCC(C)OCCC(=O)OCC 34a_100000210740_100000765890 [0,1,1,0,0,0|2,0,0]=4 5126 B17R0.1022 CCCCCCCCC(C)OCCC(=O)OCC 7a_100000210740_100011206558 [0,1,1,0,0,0|2,0,0]=4 5127 B17R0.1022 CCCCCCCCC(C)OCOC(=O)CCC 34a_100000210740_100000034017 [0,1,1,0,0,0|2,0,0]=4 5128 B17R0.1022 CCCCCCCCN(C)CCCC(=O)OCC 2230a_100000207567_100009991533 [0,1,1,0,0,0|2,0,0]=4 5129 B17R0.1022 CCCCCCCCN(C)CCCC(=O)OCC 269982a_100000207567_100009991533 [0,1,1,0,0,0|2,0,0]=4 5130 B17R0.3112 C#CC(C)C(=O)CCCCCCCCCCCC 1458a_100011215791_200000035995 [0,1,1,0,0,0|0,0,2]=4 5131 B17R0.3112 C/C=C(\C)/C(=O)CCCCCCCCCCCC 1458a_100020587367_100000759014 [0,1,1,0,0,0|0,0,2]=4 5132 B17R0.3112 C=CC(=O)C(C)CCCCCCCCCCCC 1458a_100000185746_200011217028 [0,1,1,0,0,0|1,0,1]=4 5133 B17R0.3112 C=CC(C)C(=O)CCCCCCCCCCCC 1458a_100011216780_100000759014 [0,1,1,0,0,0|0,0,2]=4 5134 B17R0.3112 C=CC(C)N(C)CCCCCCCCCCCC 269982a_100000227908_100011215867 [0,1,1,0,0,0|2,0,0]=4 5135 B17R0.3112 C=CCCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100011093070 [0,1,1,0,0,0|0,0,2]=4 5136 B17R0.3112 C=CCCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100011093070 [0,1,1,0,0,0|0,0,2]=4 5137 B17R0.3112 C=C[C@@H](C)[C@@H](C)OCCCCCCCCCCC 34a_100015455354_100011215454 [0,1,1,0,0,0|2,0,0]=4 5138 B17R0.3112 C=C[C@@H](C)[C@@H](C)OCCCCCCCCCCC 7a_100015455354_100011215454 [0,1,1,0,0,0|2,0,0]=4 5139 B17R0.3112 CCC(C)C(=O)CCCCCCCCCCCO 1458a_100011192722_100009812471 [0,1,1,0,0,0|1,0,0]=3 5140 B17R0.3112 CCC(C)C(=O)NCCCCCCCCCCO 240690a_100000066964_100011192722 [0,1,1,0,0,0|2,0,0]=4 5141 B17R0.3112 CCC(O)C(=O)CCCCCCCCCCCO 1458a_100011196387_100009812471 [0,1,1,0,0,0|1,0,0]=3 5142 B17R0.3112 CCC(O)C(=O)NCCCCCCCCCCO 240690a_100000066964_100011196387 [0,1,1,0,0,0|2,0,0]=4 5143 B17R0.3112 CCCCC#CCCCCCCC(=O)C(C)CC 1458a_100011192722_200000043322 [0,1,1,0,0,0|0,0,2]=4 5144 B17R0.3112 CCCCC#CCCCCCCC(=O)C(O)CC 1458a_100011196387_200000043322 [0,1,1,0,0,0|0,0,2]=4 5145 B17R0.3112 CCCCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000759014 [0,1,1,0,0,0|1,0,1]=4 5146 B17R0.3112 CCCCCCCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000759014 [0,1,1,0,0,0|1,0,1]=4 5147 B17R0.3112 CCCCCCCCCCCCC(=O)C(C)C#N 1458a_100011215791_100000703298 [0,1,1,0,0,0|1,0,1]=4 5148 B17R0.3112 CCCCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000759014 [0,1,1,0,0,0|0,0,0]=2 5149 B17R0.3112 CCCCCCCCCCCCC(=O)C(C)CC 1458a_100011215791_100000758301 [0,1,1,0,0,0|0,0,0]=2 5150 B17R0.3112 CCCCCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000759014 [0,1,1,0,0,0|1,0,0]=3 5151 B17R0.3112 CCCCCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000759014 [0,1,1,0,0,0|1,0,0]=3 5152 B17R0.3112 CCCCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000759014 [0,1,1,0,0,0|0,0,0]=2 5153 B17R0.3112 CCCCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000759014 [0,1,1,0,0,0|1,0,0]=3 5154 B17R0.3112 CCCCCCCCCCCCC(=O)N(C)CC 11a_100000225621_100011215791 [0,1,1,0,0,0|1,0,0]=3 5155 B17R0.3112 CCCCCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100011215791 [0,1,1,0,0,0|1,0,0]=3 5156 B17R0.3112 CCCCCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100011215791 [0,1,1,0,0,0|1,0,0]=3 5157 B17R0.3112 CCCCCCCCCCCCN(C)C(C)CC 2230a_100000227908_100000758301 [0,1,1,0,0,0|2,0,0]=4 5158 B17R0.3112 CCCCCCCCCCCCN(C)C(C)CC 2230a_100000741768_100011215052 [0,1,1,0,0,0|2,0,0]=4 5159 B17R0.3112 CCCCCCCCCCCCN(C)C(C)CC 269982a_100000227908_100000758301 [0,1,1,0,0,0|2,0,0]=4 5160 B17R0.3112 CCCCCCCCCCCCN(C)C(C)CC 269982a_100000741768_100000759014 [0,1,1,0,0,0|2,0,0]=4 5161 B17R0.3112 CCCCCCCCCCCCN(C)C(C)CC 270004a_100000741768_100011218549 [0,1,1,0,0,0|2,0,0]=4 5162 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)CC 11a_200011215754_100011192722 [0,1,1,0,0,0|1,0,0]=3 5163 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)CC 1626a_200011215754_100011192722 [0,1,1,0,0,0|1,0,0]=3 5164 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)CC 240690a_200011215754_100011192722 [0,1,1,0,0,0|1,0,0]=3 5165 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)CC 527a_200011215754_100011192722 [0,1,1,0,0,0|1,0,0]=3 5166 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)OC 11a_200011215754_100000743197 [0,1,1,0,0,0|2,0,0]=4 5167 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)OC 1626a_200011215754_100000743197 [0,1,1,0,0,0|2,0,0]=4 5168 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)OC 240690a_200011215754_100000743197 [0,1,1,0,0,0|2,0,0]=4 5169 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)OC 527a_200011215754_100000743197 [0,1,1,0,0,0|2,0,0]=4 5170 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)SC 11a_200011215754_100000149566 [0,1,1,0,0,0|2,0,0]=4 5171 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)SC 1626a_200011215754_100000149566 [0,1,1,0,0,0|2,0,0]=4 5172 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)SC 240690a_200011215754_100000149566 [0,1,1,0,0,0|2,0,0]=4 5173 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)SC 527a_200011215754_100000149566 [0,1,1,0,0,0|2,0,0]=4 5174 B17R0.3112 CCCCCCCCCCCNC(=O)C(O)CC 240690a_200011215754_100011196387 [0,1,1,0,0,0|1,0,0]=3 5175 B17R0.3112 CCCCCCCCCCCNC(=O)C(O)CO 240690a_200011215754_100011215603 [0,1,1,0,0,0|2,0,0]=4 5176 B17R0.3112 CCCCCCCCCCCNC(=O)N(C)CC 2708a_200011215754_100000225621 [0,1,1,0,0,0|2,0,0]=4 5177 B17R0.3112 CCCCCCCCCCCNC(=O)N(C)CC 273464a_200011215754_100000225621 [0,1,1,0,0,0|2,0,0]=4 5178 B17R0.3112 CCCCCCCCCCNCC(=O)N(C)CC 2230a_100000684558_100000738999 [0,1,1,0,0,0|2,0,0]=4 5179 B17R0.3112 CCCCCCCCCCNCC(=O)N(C)CC 34a_100000684558_100000738999 [0,1,1,0,0,0|2,0,0]=4 5180 B17R0.3112 CCCCCCCCCCOCC(=O)N(C)CC 34a_100000210711_100000738999 [0,1,1,0,0,0|2,0,0]=4 5181 B17R0.3112 CCCCCCCCCCOCC(=O)N(C)CC 7a_100000210711_100000738999 [0,1,1,0,0,0|2,0,0]=4 5182 B17R0.3112 CCCCCCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210320 [0,1,1,0,0,0|2,0,0]=4 5183 B17R0.3112 CCN(C)C(=O)CCCCCCCCCCCO 240690a_100000225621_100000037981 [0,1,1,0,0,0|2,0,0]=4 5184 B17R0.3112 COC(C)C(=O)CCCCCCCCCCCO 1458a_100000743197_100009812471 [0,1,1,0,0,0|2,0,0]=4 5185 B17R0.3112 CSC(C)C(=O)CCCCCCCCCCCO 1458a_100000149566_100009812471 [0,1,1,0,0,0|2,0,0]=4 5186 B17R0.3112 O=C(CCCCCCCCCCCO)C(O)CO 1458a_100011215603_100009812471 [0,1,1,0,0,0|2,0,0]=4 5187 B17R0.3167 CCCC(=O)CCCCCCCCCC(=O)OC 1458a_100000211992_100009813843 [0,1,1,0,0,0|1,0,1]=4 5188 B17R0.3167 CCCC(=O)CCCCCCCCCC(=O)OC 1458a_100009997464_100000210303 [0,1,1,0,0,0|1,0,1]=4 5189 B17R0.3167 CCOC(=O)CCCCCCCCCC(=O)CC 1458a_100000210414_100009828014 [0,1,1,0,0,0|1,0,1]=4 5190 B17R0.3167 CCOC(=O)CCCCCCCCCN(C)CC 2230a_100000225621_100009828014 [0,1,1,0,0,0|2,0,0]=4 5191 B17R0.3167 CCOC(=O)CCCCCCCCCN(C)CC 269982a_100000225621_100009828014 [0,1,1,0,0,0|2,0,0]=4 5192 B17R0.3167 CCOC(=O)CCCCCCCCNC(C)CC 2230a_100000209981_100010175975 [0,1,1,0,0,0|2,0,0]=4 5193 B17R0.3167 CCOC(=O)CCCCCCCCOC(C)CC 7a_100000210228_100010175975 [0,1,1,0,0,0|2,0,0]=4 5194 B17R0.3167 CCOC(=O)CCCCCCCCSC(C)CC 62a_100000758301_100010175975 [0,1,1,0,0,0|2,0,0]=4 5195 B17R0.3167 CCOC(=O)CCCCCCCNCC(C)CC 2230a_100020588543_100009991516 [0,1,1,0,0,0|2,0,0]=4 5196 B17R0.3167 CCOC(=O)CCCCCCCNCC(O)CC 2230a_100011218483_100009991516 [0,1,1,0,0,0|2,0,0]=4 5197 B17R0.3167 CCOC(=O)CCCCCCCOC[C@@H](C)CC 7a_100009816381_100009991516 [0,1,1,0,0,0|2,0,0]=4 5198 B17R0.3167 CCOC(=O)CCCCCCCSCC(C)CC 62a_100000748023_100009991516 [0,1,1,0,0,0|2,0,0]=4 5199 B17R0.3167 CCOC(=O)CCCCCCCSCC(O)CC 62a_100011218378_100009991516 [0,1,1,0,0,0|2,0,0]=4 5200 B17R0.3167 CCOC(=O)CCCCCCCSC[C@@H](C)CC 62a_100009816398_100009991516 [0,1,1,0,0,0|2,0,0]=4 5201 B17R0.3167 CCOC(=O)CCCCCCNCCC(C)CC 2230a_100020591266_100009814379 [0,1,1,0,0,0|2,0,0]=4 5202 B17R0.3167 CCOC(=O)CCCCCCOCCC(C)CC 7a_100011215188_100009814379 [0,1,1,0,0,0|2,0,0]=4 5203 B17R0.3167 CCOC(=O)CCCCCOCCCC(C)CC 7a_100011216074_100000755133 [0,1,1,0,0,0|2,0,0]=4 5204 B17R0.3167 CCOC(=O)CCCOCCCCCC(C)CC 7a_200000035636_100011215271 [0,1,1,0,0,0|2,0,0]=4 5205 B17R0.10075 C=CCC(C)(C)OCCCCCCCCCCC 7a_100011995686_100011215454 [0,1,1,0,0,0|2,0,0]=4 5206 B17R0.10075 CCCCCCCCCCCCS(=O)(=O)NCC 270084a_100015525214_100011216125 [0,1,1,0,0,0|2,0,0]=4 5207 B17R0.10075 CCCCCCCCCCCCS(=O)(=O)NCC 274078a_100015525214_100011216125 [0,1,1,0,0,0|2,0,0]=4 5208 B17R0.10075 CCCCCCCCCCCNS(=O)(=O)CCC 270084a_200011215754_100000211391 [0,1,1,0,0,0|2,0,0]=4 5209 B17R0.10075 CCCCCCCCCCCNS(=O)(=O)CCC 274078a_200011215754_100000211391 [0,1,1,0,0,0|2,0,0]=4 5210 B17R0.10075 CCCCCCCCCCCNS(=O)(=O)CCC 40a_200011215754_100000054278 [0,1,1,0,0,0|2,0,0]=4 5211 B17R0.13602 C=CCC(C)C(=O)CCCCCCCCCCC 1458a_100011216819_100011215454 [0,1,1,0,0,0|1,0,1]=4 5212 B17R0.13602 C=CCN(C)C(C)CCCCCCCCCCC 270004a_100000225617_100011216755 [0,1,1,0,0,0|2,0,0]=4 5213 B17R0.13602 CCCCCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100011215454 [0,1,1,0,0,0|1,0,1]=4 5214 B17R0.13602 CCCCCCCCCCCC(C)N(C)CCC 270004a_100000747261_100011216755 [0,1,1,0,0,0|2,0,0]=4 5215 B17R0.13602 CCCCCCCCCCNC(C)C(=O)NCC 2230a_100000684558_100000230173 [0,1,1,0,0,0|2,0,0]=4 5216 B17R0.13602 CCCCCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210320 [0,1,1,0,0,0|2,0,0]=4 5217 B17R0.13602 CCCCCCCCCCNC(C)C(=O)NCC 34a_100000684558_100000230173 [0,1,1,0,0,0|2,0,0]=4 5218 B17R0.13602 CCCCCCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210320 [0,1,1,0,0,0|2,0,0]=4 5219 B17R0.13602 CCCCCCCCCCNC(C)C(=O)OCC 2230a_100000684558_100011215307 [0,1,1,0,0,0|2,0,0]=4 5220 B17R0.13602 CCCCCCCCCCNC(C)C(=O)OCC 34a_100000684558_100011216346 [0,1,1,0,0,0|2,0,0]=4 5221 B17R0.13602 CCCCCCCCCCNC(F)C(=O)OCC 2230a_100000684558_100000760018 [0,1,1,0,0,0|2,0,0]=4 5222 B17R0.13602 CCCCCCCCCCNC(F)C(=O)OCC 34a_100000684558_100000760018 [0,1,1,0,0,0|2,0,0]=4 5223 B17R0.13602 CCCCCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210320 [0,1,1,0,0,0|2,0,0]=4 5224 B17R0.13602 CCCCCCCCCCOC(C)C(=O)NCC 34a_100000210711_100000230173 [0,1,1,0,0,0|2,0,0]=4 5225 B17R0.13602 CCCCCCCCCCOC(C)C(=O)NCC 7a_100000210711_100000230173 [0,1,1,0,0,0|2,0,0]=4 5226 B17R0.13602 CCCCCCCCCCOC(C)C(=O)OCC 34a_100000210711_100011216346 [0,1,1,0,0,0|2,0,0]=4 5227 B17R0.13602 CCCCCCCCCCOC(C)C(=O)OCC 7a_100000210711_100011216346 [0,1,1,0,0,0|2,0,0]=4 5228 B17R0.13602 CCCCCCCCCCOC(F)C(=O)OCC 34a_100000210711_100000760018 [0,1,1,0,0,0|2,0,0]=4 5229 B17R0.13602 CCCCCCCCCCOC(F)C(=O)OCC 7a_100000210711_100000040065 [0,1,1,0,0,0|2,0,0]=4 5230 B17R0.13602 CCCCCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210320 [0,1,1,0,0,0|2,0,0]=4 5231 B17R0.13602 CCCCCCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210320 [0,1,1,0,0,0|2,0,0]=4 5232 B17R0.13602 CCCCCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210320 [0,1,1,0,0,0|2,0,0]=4 5233 B17R0.13602 CCCCCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210320 [0,1,1,0,0,0|2,0,0]=4 5234 B17R0.13608 C=CC[C@H](CO)NCCCCCCCCCCC 2230a_100020615467_100011215454 [0,1,1,0,0,0|2,0,0]=4 5235 B17R0.13608 CCCCCCCCCCCCN(CC)CCC 2230a_100000226822_100011215052 [0,1,1,0,0,0|2,0,0]=4 5236 B17R0.13608 CCCCCCCCCCCCN(CC)CCC 269982a_100000226822_100000759014 [0,1,1,0,0,0|2,0,0]=4 5237 B17R0.13608 CCCCCCCCCCCCN(CC)CCC 270004a_100000226822_100011218549 [0,1,1,0,0,0|2,0,0]=4 5238 B17R0.14267 CCCCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210670 [0,1,1,0,0,0|1,0,1]=4 5239 B17R0.14267 CCCCCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210670 [0,1,1,0,0,0|1,0,1]=4 5240 B17R0.14267 CCCCCCCCCC(=O)COC(=O)CCC 1458a_100000210558_100000034017 [0,1,1,0,0,0|1,0,1]=4 5241 B17R0.14267 CCCCCCCCCC(=O)OCC(=O)CCC 1458a_100000211992_200010990708 [0,1,1,0,0,0|1,0,1]=4 5242 B17R0.14267 CCCCCCCCCC(C)NCC(=O)NCC 270004a_100016988866_100011215753 [0,1,1,0,0,0|2,0,0]=4 5243 B17R0.14267 CCCCCCCCCC(C)OCC(=O)CCC 7a_100011218016_100000747444 [0,1,1,0,0,0|1,0,0]=3 5244 B17R0.14267 CCCCCCCCCC(C)OCC(=O)NCC 34a_100011218016_100000183381 [0,1,1,0,0,0|2,0,0]=4 5245 B17R0.14267 CCCCCCCCCC(C)OCC(=O)NCC 7a_100011218016_100000183381 [0,1,1,0,0,0|2,0,0]=4 5246 B17R0.14267 CCCCCCCCCC(C)OCC(=O)OCC 34a_100011218016_100000188475 [0,1,1,0,0,0|2,0,0]=4 5247 B17R0.14267 CCCCCCCCCC(C)OCC(=O)OCC 7a_100011218016_100000188475 [0,1,1,0,0,0|2,0,0]=4 5248 B17R0.14267 CCCCCCCCCN(C)CCC(=O)NCC 2230a_100000232482_100000737597 [0,1,1,0,0,0|2,0,0]=4 5249 B17R0.14267 CCCCCCCCCN(C)CCC(=O)NCC 269982a_100000232482_100000737597 [0,1,1,0,0,0|2,0,0]=4 5250 B17R0.14267 CCCCCCCCCN(C)CCC(=O)OCC 2230a_100000232482_100011206558 [0,1,1,0,0,0|2,0,0]=4 5251 B17R0.14267 CCCCCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100011214924 [0,1,1,0,0,0|2,0,0]=4 5252 B17R0.14267 CCCCCCCCCN(C)CCC(=O)OCC 269982a_100000232482_100011206558 [0,1,1,0,0,0|2,0,0]=4 5253 B17R0.14267 CCCCCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210670 [0,1,1,0,0,0|2,0,0]=4 5254 B17R0.14267 CCCCCCCCCN(C)COC(=O)CCC 2230a_100000232482_100000034017 [0,1,1,0,0,0|2,0,0]=4 5255 B17R0.14267 CCCCCCCCCN(C)COC(=O)CCC 269982a_100000232482_100000034017 [0,1,1,0,0,0|2,0,0]=4 5256 B17R0.14267 CCCCCCCCNC(C)CCC(=O)OCC 2230a_100000229939_100000748298 [0,1,1,0,0,0|2,0,0]=4 5257 B17R0.14267 CCCCCCCCNC(C)CCC(=O)OCC 34a_100000229939_100000748298 [0,1,1,0,0,0|2,0,0]=4 5258 B17R0.14267 CCCCCCCCOC(C)CCC(=O)OCC 34a_100000210232_100000748298 [0,1,1,0,0,0|2,0,0]=4 5259 B17R0.14267 CCCCCCCCOC(C)CCC(=O)OCC 7a_100000210232_100000748298 [0,1,1,0,0,0|2,0,0]=4 5260 B17R0.14267 CCCCCCCCSC(C)CCC(=O)OCC 62a_100000210759_100000748298 [0,1,1,0,0,0|2,0,0]=4 5261 B17R0.14267 CCCCCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210317 [0,1,1,0,0,0|2,0,0]=4 5262 B17R0.29 CCCC(C)CC(=O)CCCCCC(=O)OCC 1458a_100000037472_100011216630 [0,1,1,0,0,0|1,0,1]=4 5263 B17R0.29 CCCC(C)CC(=O)CCCCCC(=O)OCC 1458a_100000748435_100000755133 [0,1,1,0,0,0|1,0,1]=4 5264 B17R0.79 CCCCCCCC(C)OC(C)CC(=O)OCC 7a_200011215852_100009817359 [0,1,1,0,0,0|2,0,0]=4 5265 B17R0.79 CCCCCCCC(C)O[C@H](C)CC(=O)OCC 7a_100009816390_200011218727 [0,1,1,0,0,0|2,0,0]=4 5266 B17R0.79 CCCCCCCC(C)SC(C)CC(=O)OCC 62a_100009817359_200011218727 [0,1,1,0,0,0|2,0,0]=4 5267 B17R0.79 CCCCCCCC(C)SC(C)CC(=O)OCC 62a_200011218727_100009817359 [0,1,1,0,0,0|2,0,0]=4 5268 B17R0.79 CCCCCCCC(O)CC(=O)CC(=O)CCC 1458a_200011667753_100000747444 [0,1,1,0,0,0|1,0,1]=4 5269 B17R0.79 CCCCCCCC(O)CC(=O)CC(C)CCC 1458a_200011667753_100011216630 [0,1,1,0,0,0|0,0,0]=2 5270 B17R0.79 CCCCCCCC(O)CC(=O)NC(C)CCC 1626a_100000741246_200011667753 [0,1,1,0,0,0|1,0,0]=3 5271 B17R0.79 CCCCCCCC(O)CC(=O)NC(C)CCC 240690a_100000741246_200011667753 [0,1,1,0,0,0|1,0,0]=3 5272 B17R0.79 CCCCCCCC(O)CC(=O)N[C@H](C)CCO 240690a_100000706166_200011667753 [0,1,1,0,0,0|2,0,0]=4 5273 B17R0.79 CCCCCCCC(O)CC(=O)N[C@H](C)COC 1626a_100000764878_200011667753 [0,1,1,0,0,0|2,0,0]=4 5274 B17R0.79 CCCCCCCC(O)CC(=O)N[C@H](C)COC 240690a_100000764878_200011667753 [0,1,1,0,0,0|2,0,0]=4 5275 B17R0.79 CCCCCCNC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000230325 [0,1,1,0,0,0|1,0,1]=4 5276 B17R0.114 CC(C)CC(C)NC(=O)CCCCCCCCO 240690a_100000692259_100000015970 [0,1,1,0,0,0|2,0,0]=4 5277 B17R0.114 CCCCCCCCCC(=O)NC(C)CC(C)C 11a_100000692259_100000210558 [0,1,1,0,0,0|1,0,0]=3 5278 B17R0.114 CCCCCCCCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210558 [0,1,1,0,0,0|1,0,0]=3 5279 B17R0.114 CCCCCCCCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210558 [0,1,1,0,0,0|1,0,0]=3 5280 B17R0.114 CCCCCCCCCC(=O)NC(C)CC(C)C 527a_100000692259_100000210558 [0,1,1,0,0,0|1,0,0]=3 5281 B17R0.114 CCCCCCCCCC(=O)NC(C)CN(C)C 11a_100016992788_100000210558 [0,1,1,0,0,0|2,0,0]=4 5282 B17R0.114 CCCCCCCCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210558 [0,1,1,0,0,0|2,0,0]=4 5283 B17R0.114 CCCCCCCCCC(=O)NC(C)CN(C)C 527a_100016992788_100000210558 [0,1,1,0,0,0|2,0,0]=4 5284 B17R0.114 CCCCCCCCCC(C)CN(C)CC(C)C 270004a_100000747067_200011218516 [0,1,1,0,0,0|2,0,0]=4 5285 B17R0.114 CCCCCCCCCC(C)CN(C)CC(C)O 270004a_100000227577_200011218516 [0,1,1,0,0,0|2,0,0]=4 5286 B17R0.114 CCCCCCCCCC(O)CC(=O)NC(C)C 1626a_100138425928_200012339438 [0,1,1,0,0,0|2,0,0]=4 5287 B17R0.114 CCCCCCCCCC(O)CC(=O)NC(C)C 240690a_100138425928_200012339438 [0,1,1,0,0,0|2,0,0]=4 5288 B17R0.114 CCCCCCCCCN(C)CC(=O)NC(C)C 2230a_100000168146_100011214924 [0,1,1,0,0,0|2,0,0]=4 5289 B17R0.114 CCCCCCCCCN(C)CC(=O)NC(C)C 2230a_100000232482_100000183996 [0,1,1,0,0,0|2,0,0]=4 5290 B17R0.114 CCCCCCCCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210670 [0,1,1,0,0,0|2,0,0]=4 5291 B17R0.114 CCCCCCCCCN(C)CC(=O)NC(C)C 269982a_100000232482_100000183996 [0,1,1,0,0,0|2,0,0]=4 5292 B17R0.114 CCCCCCCCCN(C)CC(=O)OC(C)C 2230a_100000232482_100011215430 [0,1,1,0,0,0|2,0,0]=4 5293 B17R0.114 CCCCCCCCCN(C)CC(=O)OC(C)C 269982a_100000232482_100011215430 [0,1,1,0,0,0|2,0,0]=4 5294 B17R0.114 CCCCCCCCNC(=O)NC(C)CC(C)C 2708a_100000229939_100000692259 [0,1,1,0,0,0|2,0,0]=4 5295 B17R0.114 CCCCCCCCNC(=O)NC(C)CC(C)C 2708a_100000692259_100000229939 [0,1,1,0,0,0|2,0,0]=4 5296 B17R0.114 CCCCCCCCNC(=O)NC(C)CC(C)C 273464a_100000692259_100000229939 [0,1,1,0,0,0|2,0,0]=4 5297 B17R0.114 CCCCCCCCNC(=O)NC(C)CC(C)C 512a_100000229939_100000692259 [0,1,1,0,0,0|2,0,0]=4 5298 B17R0.114 CCCCCCCCNC(=O)NC(C)CC(C)C 512a_100000692259_100000229939 [0,1,1,0,0,0|2,0,0]=4 5299 B17R0.262 CCCC(C)CC(=O)CCCCCCC(=O)OC 1458a_100000036694_100011216630 [0,1,1,0,0,0|1,0,1]=4 5300 B17R0.262 CCCC(C)CC(=O)CCCCCCC(=O)OC 1458a_100000748435_100009815986 [0,1,1,0,0,0|1,0,1]=4 5301 B17R0.262 CCOC(=O)CC(C)OCCCCCC(C)CC 7a_200000035636_100009817359 [0,1,1,0,0,0|2,0,0]=4 5302 B17R0.267 CCCC(C)CC(=O)NCCCCCCC(C)C 11a_100000211014_100000748435 [0,1,1,0,0,0|1,0,0]=3 5303 B17R0.267 CCCC(C)CC(=O)NCCCCCCC(C)C 1626a_100000211014_100000748435 [0,1,1,0,0,0|1,0,0]=3 5304 B17R0.267 CCCC(C)CC(=O)NCCCCCCC(C)C 240690a_100000211014_100000748435 [0,1,1,0,0,0|1,0,0]=3 5305 B17R0.267 CCCC(C)CC(=O)NCCCCCCC(C)C 527a_100000211014_100000748435 [0,1,1,0,0,0|1,0,0]=3 5306 B17R0.267 CCCC(C)CC(=O)NCCCCCCN(C)C 240690a_200011233508_100000748435 [0,1,1,0,0,0|2,0,0]=4 5307 B17R0.267 CCCC(C)NC(=O)NCCCCCCC(C)C 2708a_100000211014_100000741246 [0,1,1,0,0,0|2,0,0]=4 5308 B17R0.267 CCCC(C)NC(=O)NCCCCCCC(C)C 2708a_100000741246_100000211014 [0,1,1,0,0,0|2,0,0]=4 5309 B17R0.267 CCCC(C)NC(=O)NCCCCCCC(C)C 273464a_100000741246_100000211014 [0,1,1,0,0,0|2,0,0]=4 5310 B17R0.267 CCCC(C)NC(=O)NCCCCCCC(C)C 512a_100000211014_100000741246 [0,1,1,0,0,0|2,0,0]=4 5311 B17R0.267 CCCC(C)NC(=O)NCCCCCCC(C)C 512a_100000741246_100000211014 [0,1,1,0,0,0|2,0,0]=4 5312 B17R0.267 CCOC(=O)CC(C)NCCCCCCC(C)C 2230a_100000211014_100009817359 [0,1,1,0,0,0|2,0,0]=4 5313 B17R0.267 CCSC(C)CC(=O)NCCCCCCC(C)C 11a_100000211014_200011311441 [0,1,1,0,0,0|2,0,0]=4 5314 B17R0.267 CCSC(C)CC(=O)NCCCCCCC(C)C 1626a_100000211014_200011311441 [0,1,1,0,0,0|2,0,0]=4 5315 B17R0.267 CCSC(C)CC(=O)NCCCCCCC(C)C 240690a_100000211014_200011311441 [0,1,1,0,0,0|2,0,0]=4 5316 B17R0.267 CCSC(C)CC(=O)NCCCCCCC(C)C 527a_100000211014_200011311441 [0,1,1,0,0,0|2,0,0]=4 5317 B17R0.385 CCCCCC(O)CCCC(=O)NC(C)CCC 1626a_100000741246_100020618878 [0,1,1,0,0,0|1,0,0]=3 5318 B17R0.385 CCCCCC(O)CCCC(=O)NC(C)CCC 240690a_100000741246_100020618878 [0,1,1,0,0,0|1,0,0]=3 5319 B17R0.385 CCCCCC(O)CCCC(=O)NC(C)CCC 527a_100000741246_100020618878 [0,1,1,0,0,0|1,0,0]=3 5320 B17R0.385 CCCCCC(O)CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100020618878 [0,1,1,0,0,0|2,0,0]=4 5321 B17R0.385 CCCCCC(O)CCCC(=O)N[C@H](C)CCO 527a_100000706166_100020618878 [0,1,1,0,0,0|2,0,0]=4 5322 B17R0.385 CCCCCC(O)CCCC(=O)N[C@H](C)COC 1626a_100000764878_100020618878 [0,1,1,0,0,0|2,0,0]=4 5323 B17R0.385 CCCCCC(O)CCCC(=O)N[C@H](C)COC 240690a_100000764878_100020618878 [0,1,1,0,0,0|2,0,0]=4 5324 B17R0.385 CCCCCC(O)CCCC(=O)N[C@H](C)COC 527a_100000764878_100020618878 [0,1,1,0,0,0|2,0,0]=4 5325 B17R0.1014 CCCCCCCCC(=O)C(C)CC(=O)OCC 1458a_100000210188_100009817359 [0,1,1,0,0,0|1,0,1]=4 5326 B17R0.1014 CCCCCCCCC(=O)C(C)NC(=O)CCC 1458a_100000205598_100000210759 [0,1,1,0,0,0|1,0,1]=4 5327 B17R0.1014 CCCCCCCCC(C)N(C)CC(=O)NCC 270004a_100000741943_100011216694 [0,1,1,0,0,0|2,0,0]=4 5328 B17R0.1014 CCCCCCCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100011216694 [0,1,1,0,0,0|2,0,0]=4 5329 B17R0.1014 CCCCCCCCC(O)C(=O)CC(=O)CCC 1458a_200011995895_100000747444 [0,1,1,0,0,0|1,0,1]=4 5330 B17R0.1014 CCCCCCCCC(O)C(=O)CC(C)CCC 1458a_200011995895_100011216630 [0,1,1,0,0,0|0,0,0]=2 5331 B17R0.1014 CCCCCCCCC(O)C(=O)NC(C)CCC 240690a_100000741246_200011995895 [0,1,1,0,0,0|1,0,0]=3 5332 B17R0.1014 CCCCCCCCC(O)C(=O)N[C@H](C)CCO 240690a_100000706166_200011995895 [0,1,1,0,0,0|2,0,0]=4 5333 B17R0.1014 CCCCCCCCC(O)C(=O)N[C@H](C)COC 240690a_100000764878_200011995895 [0,1,1,0,0,0|2,0,0]=4 5334 B17R0.1014 CCCCCCCCN(C)C(=O)CC(C)CCC 11a_100000207567_100000748435 [0,1,1,0,0,0|1,0,0]=3 5335 B17R0.1014 CCCCCCCCN(C)C(=O)CC(C)CCC 1626a_100000207567_100000748435 [0,1,1,0,0,0|1,0,0]=3 5336 B17R0.1014 CCCCCCCCN(C)C(=O)CC(C)CCC 240690a_100000207567_100000748435 [0,1,1,0,0,0|1,0,0]=3 5337 B17R0.1014 CCCCCCCCN(C)C(=O)CC(C)CCC 527a_100000207567_100000748435 [0,1,1,0,0,0|1,0,0]=3 5338 B17R0.1014 CCCCCCCCN(C)C(=O)CC(C)SCC 11a_100000207567_200011311441 [0,1,1,0,0,0|2,0,0]=4 5339 B17R0.1014 CCCCCCCCN(C)C(=O)CC(C)SCC 1626a_100000207567_200011311441 [0,1,1,0,0,0|2,0,0]=4 5340 B17R0.1014 CCCCCCCCN(C)C(=O)CC(C)SCC 240690a_100000207567_200011311441 [0,1,1,0,0,0|2,0,0]=4 5341 B17R0.1014 CCCCCCCCN(C)C(=O)CC(C)SCC 527a_100000207567_200011311441 [0,1,1,0,0,0|2,0,0]=4 5342 B17R0.1014 CCCCCCCCN(C)C(=O)NC(C)CCC 2708a_100000741246_100000207567 [0,1,1,0,0,0|2,0,0]=4 5343 B17R0.1014 CCCCCCCCN(C)C(=O)NC(C)CCC 273464a_100000741246_100000207567 [0,1,1,0,0,0|2,0,0]=4 5344 B17R0.1014 CCCCCCCCN(C)C(C)CC(=O)OCC 2230a_100000207567_100009817359 [0,1,1,0,0,0|2,0,0]=4 5345 B17R0.1014 CCCCCCCCN(C)C(C)CC(=O)OCC 269982a_100000207567_100009817359 [0,1,1,0,0,0|2,0,0]=4 5346 B17R0.1014 CCCCCCCNC(C)C(=O)NC(C)CCC 2230a_100000229938_100000735934 [0,1,1,0,0,0|2,0,0]=4 5347 B17R0.1014 CCCCCCCOC(C)C(=O)NC(C)CCC 34a_100000210272_100000735934 [0,1,1,0,0,0|2,0,0]=4 5348 B17R0.1014 CCCCCCCOC(C)C(=O)NC(C)CCC 7a_100000210272_100000735934 [0,1,1,0,0,0|2,0,0]=4 5349 B17R0.1014 CCCCCCCSC(C)C(=O)NC(C)CCC 62a_100000210614_100000735934 [0,1,1,0,0,0|2,0,0]=4 5350 B17R0.1014 CCCCCCCSC(C)C(=O)NC(C)CCC 62a_100000735934_100000210316 [0,1,1,0,0,0|2,0,0]=4 5351 B17R0.8802 CCCCCCCCCC(=O)N(C)C(C)CCO 240690a_100000731037_100000210558 [0,1,1,0,0,0|2,0,0]=4 5352 B17R0.8802 CCCCCCCCCC(=O)N(C)C(C)CCO 527a_100000731037_100000210558 [0,1,1,0,0,0|2,0,0]=4 5353 B17R0.8802 CCCCCCCCCN(C)C(C)C(=O)NCC 2230a_100000232482_100000230173 [0,1,1,0,0,0|2,0,0]=4 5354 B17R0.8802 CCCCCCCCCN(C)C(C)C(=O)NCC 269982a_100000232482_100000230173 [0,1,1,0,0,0|2,0,0]=4 5355 B17R0.8802 CCCCCCCCCN(C)C(C)C(=O)OCC 2230a_100000232482_100011215307 [0,1,1,0,0,0|2,0,0]=4 5356 B17R0.8802 CCCCCCCCCN(C)C(C)C(=O)OCC 269982a_100000232482_100011216346 [0,1,1,0,0,0|2,0,0]=4 5357 B17R0.8802 CCCCCCCCCN(C)C(C)C(C)CCC 270004a_100000232482_100011216282 [0,1,1,0,0,0|2,0,0]=4 5358 B17R0.8802 CCCCCCCCCN(C)C(F)C(=O)OCC 2230a_100000232482_100000760018 [0,1,1,0,0,0|2,0,0]=4 5359 B17R0.8802 CCCCCCCCCN(C)C(F)C(=O)OCC 269982a_100000232482_100000760018 [0,1,1,0,0,0|2,0,0]=4 5360 B17R0.8810 CCCC(CC)NC(=O)CCCCCCCCO 240690a_100000747048_100000015970 [0,1,1,0,0,0|2,0,0]=4 5361 B17R0.8810 CCCCCCCCCC(=O)NC(CC)CCC 11a_100000747048_100000210558 [0,1,1,0,0,0|1,0,0]=3 5362 B17R0.8810 CCCCCCCCCC(=O)NC(CC)CCC 1626a_100000747048_100000210558 [0,1,1,0,0,0|1,0,0]=3 5363 B17R0.8810 CCCCCCCCCC(=O)NC(CC)CCC 240690a_100000747048_100000210558 [0,1,1,0,0,0|1,0,0]=3 5364 B17R0.8810 CCCCCCCCCC(=O)NC(CC)CCC 527a_100000747048_100000210558 [0,1,1,0,0,0|1,0,0]=3 5365 B17R0.8810 CCCCCCCCCC(=O)NC(CC)COC 11a_100000757820_100000210558 [0,1,1,0,0,0|2,0,0]=4 5366 B17R0.8810 CCCCCCCCCC(=O)NC(CC)COC 1626a_100000757820_100000210558 [0,1,1,0,0,0|2,0,0]=4 5367 B17R0.8810 CCCCCCCCCC(=O)NC(CC)COC 240690a_100000757820_100000210558 [0,1,1,0,0,0|2,0,0]=4 5368 B17R0.8810 CCCCCCCCCC(=O)NC(CC)COC 527a_100000757820_100000210558 [0,1,1,0,0,0|2,0,0]=4 5369 B17R0.8810 CCCCCCCCCC(=O)NC(CO)COC 240690a_100000724102_100000210558 [0,1,1,0,0,0|2,0,0]=4 5370 B17R0.8810 CCCCCCCCCC(=O)NC(CO)COC 527a_100000724102_100000210558 [0,1,1,0,0,0|2,0,0]=4 5371 B17R0.8810 CCCCCCCCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000210558 [0,1,1,0,0,0|1,0,0]=3 5372 B17R0.8810 CCCCCCCCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000210558 [0,1,1,0,0,0|1,0,0]=3 5373 B17R0.8810 CCCCCCCCCC(C)CN(CC)CCC 270004a_100000226822_200011218516 [0,1,1,0,0,0|2,0,0]=4 5374 B17R0.8810 CCCCCCCCNC(=O)NC(CC)CCC 2708a_100000229939_100000747048 [0,1,1,0,0,0|2,0,0]=4 5375 B17R0.8810 CCCCCCCCNC(=O)NC(CC)CCC 2708a_100000747048_100000229939 [0,1,1,0,0,0|2,0,0]=4 5376 B17R0.8810 CCCCCCCCNC(=O)NC(CC)CCC 273464a_100000229939_100000747048 [0,1,1,0,0,0|2,0,0]=4 5377 B17R0.8810 CCCCCCCCNC(=O)NC(CC)CCC 273464a_100000747048_100000229939 [0,1,1,0,0,0|2,0,0]=4 5378 B17R0.8810 CCCCCCCCNC(=O)NC(CC)CCC 512a_100000229939_100000747048 [0,1,1,0,0,0|2,0,0]=4 5379 B17R0.8810 CCCCCCCCNC(=O)NC(CC)CCC 512a_100000747048_100000229939 [0,1,1,0,0,0|2,0,0]=4 5380 B17R0.8810 CCCCCCCCNC(=O)N[C@H](CO)CCC 2708a_100000229939_100000732646 [0,1,1,0,0,0|2,0,0]=4 5381 B17R0.8810 CCCCCCCCNC(=O)N[C@H](CO)CCC 273464a_100000229939_100000732646 [0,1,1,0,0,0|2,0,0]=4 5382 B17R0.8810 CCCCCCCCNC(=O)N[C@H](CO)CCC 273464a_100000732646_100000229939 [0,1,1,0,0,0|2,0,0]=4 5383 B17R0.8810 CCCCCCCCNC(=O)N[C@H](CO)CCC 512a_100000229939_100000732646 [0,1,1,0,0,0|2,0,0]=4 5384 B17R0.8810 CCCCCCCCNC(=O)N[C@H](CO)CCC 512a_100000732646_100000229939 [0,1,1,0,0,0|2,0,0]=4 5385 B17R0.8810 CCC[C@@H](CO)NC(=O)CCCCCCCCO 240690a_100000732646_100000015970 [0,1,1,0,0,0|2,0,0]=4 5386 B17R0.8814 CCCCCCCCCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210670 [0,1,1,0,0,0|1,0,0]=3 5387 B17R0.8814 CCCCCCCCCC(C)CN(C)C(C)CC 270004a_100000741768_200011218516 [0,1,1,0,0,0|2,0,0]=4 5388 B17R0.8814 CCCCCCCCCC(O)CC(=O)N(C)CC 1626a_100000225621_200012339438 [0,1,1,0,0,0|2,0,0]=4 5389 B17R0.8814 CCCCCCCCCC(O)CC(=O)N(C)CC 240690a_100000225621_200012339438 [0,1,1,0,0,0|2,0,0]=4 5390 B17R0.8814 CCCCCCCCCN(C)CC(=O)N(C)CC 2230a_100000232482_100000738999 [0,1,1,0,0,0|2,0,0]=4 5391 B17R0.8814 CCCCCCCCCN(C)CC(=O)N(C)CC 269982a_100000232482_100000738999 [0,1,1,0,0,0|2,0,0]=4 5392 B17R0.8814 CCCCCCCCNC(=O)CC(C)N(C)CC 1626a_100000229939_200015187196 [0,1,1,0,0,0|2,0,0]=4 5393 B17R0.8814 CCCCCCCCNC(=O)CC(C)N(C)CC 240690a_100000229939_200015187196 [0,1,1,0,0,0|2,0,0]=4 5394 B17R0.8814 CCCCCCCCNC(=O)CC(C)N(C)CC 527a_100000229939_200015187196 [0,1,1,0,0,0|2,0,0]=4 5395 B17R0.8814 CCN(C)C(C)CC(=O)CCCCCCCCO 1458a_200015187196_100000033203 [0,1,1,0,0,0|2,0,0]=4 5396 B17R0.12198 CCCCCCCCCN(CC)CC(=O)OCC 2230a_100000220607_100011214924 [0,1,1,0,0,0|2,0,0]=4 5397 B17R0.12198 CCCCCCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210670 [0,1,1,0,0,0|2,0,0]=4 5398 B17R0.12198 CCCCCCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210759 [0,1,1,0,0,0|2,0,0]=4 5399 B17R0.14268 CCCCC(C)NC(=O)CCCCCCCCO 240690a_100000126638_100000015970 [0,1,1,0,0,0|2,0,0]=4 5400 B17R0.14268 CCCCCCCCCC(=O)CC(=O)NCCC 1458a_100000210558_100000183358 [0,1,1,0,0,0|1,0,1]=4 5401 B17R0.14268 CCCCCCCCCC(=O)CC(=O)OCCC 1458a_100000210558_200011215008 [0,1,1,0,0,0|1,0,1]=4 5402 B17R0.14268 CCCCCCCCCC(=O)NC(C)CCCC 11a_100000126638_100000210558 [0,1,1,0,0,0|1,0,0]=3 5403 B17R0.14268 CCCCCCCCCC(=O)NC(C)CCCC 1626a_100000126638_100000210558 [0,1,1,0,0,0|1,0,0]=3 5404 B17R0.14268 CCCCCCCCCC(=O)NC(C)CCCC 240690a_100000126638_100000210558 [0,1,1,0,0,0|1,0,0]=3 5405 B17R0.14268 CCCCCCCCCC(=O)NC(C)CCCC 527a_100000126638_100000210558 [0,1,1,0,0,0|1,0,0]=3 5406 B17R0.14268 CCCCCCCCCC(C)CN(C)CCCC 270004a_100000207549_200011218516 [0,1,1,0,0,0|2,0,0]=4 5407 B17R0.14268 CCCCCCCCCC(C)CN(C)CCCO 270004a_100000213112_200011218516 [0,1,1,0,0,0|2,0,0]=4 5408 B17R0.14268 CCCCCCCCCC(C)CN(C)CCOC 270004a_100000743101_200011218516 [0,1,1,0,0,0|2,0,0]=4 5409 B17R0.14268 CCCCCCCCCC(C)CN(C)CCSC 270004a_100000686725_200011218516 [0,1,1,0,0,0|2,0,0]=4 5410 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCC 1626a_100020643023_200012339438 [0,1,1,0,0,0|1,0,0]=3 5411 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCC 240690a_100020643023_200012339438 [0,1,1,0,0,0|1,0,0]=3 5412 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCF 1626a_100000724931_200012339438 [0,1,1,0,0,0|2,0,0]=4 5413 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCF 240690a_100000724931_200012339438 [0,1,1,0,0,0|2,0,0]=4 5414 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCO 240690a_100000210304_200012339438 [0,1,1,0,0,0|2,0,0]=4 5415 B17R0.14268 CCCCCCCCCC(O)CC(=O)NNCC 22a_100000756455_200012339438 [0,1,1,0,0,0|2,0,0]=4 5416 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 2230a_100000232482_100000183358 [0,1,1,0,0,0|1,0,0]=3 5417 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 2230a_100000684209_100011214924 [0,1,1,0,0,0|1,0,0]=3 5418 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 269982a_100000232482_100000183358 [0,1,1,0,0,0|1,0,0]=3 5419 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210670 [0,1,1,0,0,0|1,0,0]=3 5420 B17R0.14268 CCCCCCCCCN(C)CC(=O)OCCC 2230a_100000232482_200011215008 [0,1,1,0,0,0|1,0,0]=3 5421 B17R0.14268 CCCCCCCCCN(C)CC(=O)OCCC 269982a_100000232482_200011215008 [0,1,1,0,0,0|1,0,0]=3 5422 B17R0.14268 CCCCCCCCNC(=O)CN(C)CCOC 240690a_100000229939_100015184299 [0,1,1,0,0,0|2,0,0]=4 5423 B17R0.14268 CCCCCCCCNC(=O)CN(C)CCOC 527a_100000229939_100015184299 [0,1,1,0,0,0|2,0,0]=4 5424 B17R0.14268 CCCCCCCCNC(=O)NC(C)CCCC 2708a_100000126638_100000229939 [0,1,1,0,0,0|2,0,0]=4 5425 B17R0.14268 CCCCCCCCNC(=O)NC(C)CCCC 2708a_100000229939_100000126638 [0,1,1,0,0,0|2,0,0]=4 5426 B17R0.14268 CCCCCCCCNC(=O)NC(C)CCCC 273464a_100000126638_100000229939 [0,1,1,0,0,0|2,0,0]=4 5427 B17R0.14268 CCCCCCCCNC(=O)NC(C)CCCC 273464a_100000229939_100000126638 [0,1,1,0,0,0|2,0,0]=4 5428 B17R0.14268 CCCCCCCCNC(=O)NC(C)CCCC 512a_100000126638_100000229939 [0,1,1,0,0,0|2,0,0]=4 5429 B17R0.14268 CCCCCCCCNC(=O)NC(C)CCCC 512a_100000229939_100000126638 [0,1,1,0,0,0|2,0,0]=4 5430 B17R0.14268 CCCNC(=O)CN(C)CCCCCCCCO 2230a_100000684209_100000033203 [0,1,1,0,0,0|2,0,0]=4 5431 B17R0.14268 CCCNC(=O)CN(C)CCCCCCCCO 269982a_100000684209_100000033203 [0,1,1,0,0,0|2,0,0]=4 5432 B17R0.29484 C#CCCCCCCCC(=O)CC(C)(O)CCC 1458a_100011667670_100153394163 [0,1,1,0,0,0|0,0,2]=4 5433 B17R0.29484 C=CCCCCCCCC(=O)CC(C)(O)CCC 1458a_100011667670_100012355270 [0,1,1,0,0,0|0,0,2]=4 5434 B17R0.29484 CCCC(C)(O)CC(=O)CCCCCCCCO 1458a_100011667670_100000033203 [0,1,1,0,0,0|1,0,0]=3 5435 B17R0.29484 CCCC(C)(O)CC(=O)NCCCCCCCO 240690a_100011996573_100011667670 [0,1,1,0,0,0|2,0,0]=4 5436 B17R0.29484 CCCCC#CCCCC(=O)CC(C)(O)CCC 1458a_100011667670_200000047210 [0,1,1,0,0,0|0,0,2]=4 5437 B17R0.29484 CCCCCCCCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210670 [0,1,1,0,0,0|0,0,0]=2 5438 B17R0.29484 CCCCCCCCCC(=O)C[Si](C)(C)OCC 1458a_100000210558_200000065227 [0,1,1,0,0,0|1,1,0]=4 5439 B17R0.29484 CCCCCCCCCC(=O)NC(C)(C)CCO 240690a_100000763138_100000210558 [0,1,1,0,0,0|2,0,0]=4 5440 B17R0.29484 CCCCCCCCCC(=O)NC(C)(C)CCO 527a_100000763138_100000210558 [0,1,1,0,0,0|2,0,0]=4 5441 B17R0.29484 CCCCCCCCCC(=O)NC(C)(C)COC 11a_100000752728_100000210558 [0,1,1,0,0,0|2,0,0]=4 5442 B17R0.29484 CCCCCCCCCC(=O)NC(C)(C)COC 1626a_100000752728_100000210558 [0,1,1,0,0,0|2,0,0]=4 5443 B17R0.29484 CCCCCCCCCC(=O)NC(C)(C)COC 240690a_100000752728_100000210558 [0,1,1,0,0,0|2,0,0]=4 5444 B17R0.29484 CCCCCCCCCC(=O)NC(C)(C)COC 527a_100000752728_100000210558 [0,1,1,0,0,0|2,0,0]=4 5445 B17R0.29484 CCCCCCCCCC(=O)NC(C)(C)CSC 11a_100000759623_100000210558 [0,1,1,0,0,0|2,0,0]=4 5446 B17R0.29484 CCCCCCCCCC(=O)NC(C)(C)CSC 1626a_100000759623_100000210558 [0,1,1,0,0,0|2,0,0]=4 5447 B17R0.29484 CCCCCCCCCC(=O)NC(C)(C)CSC 240690a_100000759623_100000210558 [0,1,1,0,0,0|2,0,0]=4 5448 B17R0.29484 CCCCCCCCCC(=O)NC(C)(C)CSC 527a_100000759623_100000210558 [0,1,1,0,0,0|2,0,0]=4 5449 B17R0.29484 CCCCCCCCNC(=O)CC(C)(O)CCC 240690a_100000229939_100011667670 [0,1,1,0,0,0|1,0,0]=3 5450 B17R0.29484 CCCCCCCCNC(=O)CC(C)(O)CCC 527a_100000229939_100011667670 [0,1,1,0,0,0|1,0,0]=3 5451 B17R0.29484 CCCCOCCCNC(=O)CC(C)(O)CCC 240690a_200000211371_100011667670 [0,1,1,0,0,0|2,0,0]=4 5452 B17R0.29484 CCCCOCCCNC(=O)CC(C)(O)CCC 527a_200000211371_100011667670 [0,1,1,0,0,0|2,0,0]=4 5453 B17R0.41417 CCCCCCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210759 [0,1,1,0,0,0|2,0,0]=4 5454 B17R0.159 CCCCCCC(C)NC(=O)CCCCC(C)C 11a_100000210919_100011933920 [0,1,1,0,0,0|1,0,0]=3 5455 B17R0.159 CCCCCCC(C)NC(=O)CCCCC(C)C 1626a_100000210919_100011933920 [0,1,1,0,0,0|1,0,0]=3 5456 B17R0.159 CCCCCCC(C)NC(=O)CCCCC(C)C 240690a_100000210919_100011933920 [0,1,1,0,0,0|1,0,0]=3 5457 B17R0.159 CCCCCCC(C)NC(=O)CCCCC(C)C 527a_100000210919_100011933920 [0,1,1,0,0,0|1,0,0]=3 5458 B17R0.159 CCCCCCC(C)NC(=O)CCCCN(C)C 11a_100000210919_100000751710 [0,1,1,0,0,0|2,0,0]=4 5459 B17R0.159 CCCCCCC(C)NC(=O)CCCCN(C)C 240690a_100000210919_100000751710 [0,1,1,0,0,0|2,0,0]=4 5460 B17R0.159 CCCCCCC(C)NC(=O)CCCCN(C)C 527a_100000210919_100000751710 [0,1,1,0,0,0|2,0,0]=4 5461 B17R0.159 CCCCCCC(C)NC(=O)CNCCC(C)O 2230a_200000755665_100000230341 [0,1,1,0,0,0|2,0,0]=4 5462 B17R0.159 CCCCCCC(C)NC(=O)COCCC(C)Br 34a_100009893172_100000230341 [0,1,1,0,0,0|2,0,0]=4 5463 B17R0.159 CCCCCCC(C)NC(=O)COCCC(C)C 34a_100000210254_100000230341 [0,1,1,0,0,0|2,0,0]=4 5464 B17R0.159 CCCCCCC(C)NC(=O)COCCC(C)C 7a_100000210254_100000230341 [0,1,1,0,0,0|2,0,0]=4 5465 B17R0.159 CCCCCCC(C)NC(=O)COCC[C@@H](C)N 34a_100000706166_100000230341 [0,1,1,0,0,0|2,0,0]=4 5466 B17R0.159 CCCCCCC(C)NC(=O)CSCCC(C)C 62a_100000210312_100000230341 [0,1,1,0,0,0|2,0,0]=4 5467 B17R0.159 CCCCCCC(C)NC(=O)CSCCC(C)C 62a_100000230341_100000210312 [0,1,1,0,0,0|2,0,0]=4 5468 B17R0.159 CCCCCCC(C)NC(=O)CSCCC(C)O 62a_100000230341_100012276601 [0,1,1,0,0,0|2,0,0]=4 5469 B17R0.159 CCCCCCC(C)NC(=O)CSCCC(C)O 62a_100012276601_100000230341 [0,1,1,0,0,0|2,0,0]=4 5470 B17R0.159 CCCCCCC(C)NC(=O)NCCCC(C)C 2708a_100000210919_200000737386 [0,1,1,0,0,0|2,0,0]=4 5471 B17R0.159 CCCCCCC(C)NC(=O)NCCCC(C)C 2708a_200000737386_100000210919 [0,1,1,0,0,0|2,0,0]=4 5472 B17R0.159 CCCCCCC(C)NC(=O)NCCCC(C)C 273464a_100000210919_200000737386 [0,1,1,0,0,0|2,0,0]=4 5473 B17R0.159 CCCCCCC(C)NC(=O)NCCCC(C)C 273464a_200000737386_100000210919 [0,1,1,0,0,0|2,0,0]=4 5474 B17R0.159 CCCCCCC(C)NC(=O)NCCCC(C)C 512a_100000210919_200000737386 [0,1,1,0,0,0|2,0,0]=4 5475 B17R0.159 CCCCCCC(C)NC(=O)NCCCC(C)C 512a_200000737386_100000210919 [0,1,1,0,0,0|2,0,0]=4 5476 B17R0.165 CCCCCCC(C)NC(=O)CNC(C)CCC 2230a_100000741246_100000230341 [0,1,1,0,0,0|2,0,0]=4 5477 B17R0.165 CCCCCCC(C)NC(=O)COC(C)CCC 34a_100000764384_100000230341 [0,1,1,0,0,0|2,0,0]=4 5478 B17R0.165 CCCCCCC(C)NC(=O)COC(C)CCC 7a_100000764384_100000230341 [0,1,1,0,0,0|2,0,0]=4 5479 B17R0.165 CCCCCCC(C)NC(=O)CSC(C)CCC 62a_100000230341_100000766640 [0,1,1,0,0,0|2,0,0]=4 5480 B17R0.165 CCCCCCC(C)NC(=O)CSC(C)CCC 62a_100000766640_100000230341 [0,1,1,0,0,0|2,0,0]=4 5481 B17R0.166 CCCCCCC(C)NC(=O)CNCC(C)CC 2230a_100020588543_100000230341 [0,1,1,0,0,0|2,0,0]=4 5482 B17R0.166 CCCCCCC(C)NC(=O)CNCC(O)CC 2230a_100011218483_100000230341 [0,1,1,0,0,0|2,0,0]=4 5483 B17R0.166 CCCCCCC(C)NC(=O)COC[C@@H](C)CC 7a_100009816381_100000230341 [0,1,1,0,0,0|2,0,0]=4 5484 B17R0.166 CCCCCCC(C)NC(=O)CSCC(C)CC 62a_100000230341_100000748023 [0,1,1,0,0,0|2,0,0]=4 5485 B17R0.166 CCCCCCC(C)NC(=O)CSCC(C)CC 62a_100000748023_100000230341 [0,1,1,0,0,0|2,0,0]=4 5486 B17R0.166 CCCCCCC(C)NC(=O)CSCC(O)CC 62a_100000230341_100011218378 [0,1,1,0,0,0|2,0,0]=4 5487 B17R0.166 CCCCCCC(C)NC(=O)CSCC(O)CC 62a_100011218378_100000230341 [0,1,1,0,0,0|2,0,0]=4 5488 B17R0.166 CCCCCCC(C)NC(=O)CSC[C@@H](C)CC 62a_100000230341_100009816398 [0,1,1,0,0,0|2,0,0]=4 5489 B17R0.166 CCCCCCC(C)NC(=O)CSC[C@@H](C)CC 62a_100009816398_100000230341 [0,1,1,0,0,0|2,0,0]=4 5490 B17R0.166 CCCCCCC(C)NC(=O)NCCC(C)CC 2708a_100000210919_100020591266 [0,1,1,0,0,0|2,0,0]=4 5491 B17R0.166 CCCCCCC(C)NC(=O)NCCC(C)CC 2708a_100020591266_100000210919 [0,1,1,0,0,0|2,0,0]=4 5492 B17R0.166 CCCCCCC(C)NC(=O)NCCC(C)CC 273464a_100000210919_100020591266 [0,1,1,0,0,0|2,0,0]=4 5493 B17R0.166 CCCCCCC(C)NC(=O)NCCC(C)CC 273464a_100020591266_100000210919 [0,1,1,0,0,0|2,0,0]=4 5494 B17R0.166 CCCCCCC(C)NC(=O)NCCC(C)CC 512a_100000210919_100020591266 [0,1,1,0,0,0|2,0,0]=4 5495 B17R0.166 CCCCCCC(C)NC(=O)NCCC(C)CC 512a_100020591266_100000210919 [0,1,1,0,0,0|2,0,0]=4 5496 B17R0.167 CCCCCCC(C)NC(=O)CC(=O)CCCC 1458a_100000210183_100000230341 [0,1,1,0,0,0|1,0,1]=4 5497 B17R0.167 CCCCCCC(C)NC(=O)CN(C)CCCC 2230a_100000207549_100000230341 [0,1,1,0,0,0|2,0,0]=4 5498 B17R0.167 CCCCCCC(C)NC(=O)CN(C)CCCC 269982a_100000207549_100000230341 [0,1,1,0,0,0|2,0,0]=4 5499 B17R0.167 CCCCCCC(C)NC(=O)NC(C)CCCC 2708a_100000126638_100000210919 [0,1,1,0,0,0|2,0,0]=4 5500 B17R0.167 CCCCCCC(C)NC(=O)NC(C)CCCC 2708a_100000210919_100000126638 [0,1,1,0,0,0|2,0,0]=4 5501 B17R0.167 CCCCCCC(C)NC(=O)NC(C)CCCC 273464a_100000126638_100000210919 [0,1,1,0,0,0|2,0,0]=4 5502 B17R0.167 CCCCCCC(C)NC(=O)NC(C)CCCC 273464a_100000210919_100000126638 [0,1,1,0,0,0|2,0,0]=4 5503 B17R0.167 CCCCCCC(C)NC(=O)NC(C)CCCC 512a_100000126638_100000210919 [0,1,1,0,0,0|2,0,0]=4 5504 B17R0.167 CCCCCCC(C)NC(=O)NC(C)CCCC 512a_100000210919_100000126638 [0,1,1,0,0,0|2,0,0]=4 5505 B17R0.5682 CCCCCCN(C)C(C)C(=O)NCCCCC 2230a_106256046315_100000735910 [0,1,1,0,0,0|2,0,0]=4 5506 B17R0.5682 CCCCCCN(C)C(C)C(=O)NCCCCC 269982a_106256046315_100000735910 [0,1,1,0,0,0|2,0,0]=4 5507 B17R0.7631 C#CCCCCCC(=O)NC(C)CCCCCC 11a_100000210919_100000694772 [0,1,1,0,0,0|1,0,1]=4 5508 B17R0.7631 C#CCCCCCC(=O)NC(C)CCCCCC 1626a_100000210919_100000694772 [0,1,1,0,0,0|1,0,1]=4 5509 B17R0.7631 C#CCCCCCC(=O)NC(C)CCCCCC 240690a_100000210919_100000694772 [0,1,1,0,0,0|1,0,1]=4 5510 B17R0.7631 C#CCCCCCC(=O)NC(C)CCCCCC 527a_100000210919_100000694772 [0,1,1,0,0,0|1,0,1]=4 5511 B17R0.7631 C=CCCCCCC(=O)NC(C)CCCCCC 11a_100000210919_100011934241 [0,1,1,0,0,0|1,0,1]=4 5512 B17R0.7631 C=CCCCCCC(=O)NC(C)CCCCCC 1626a_100000210919_100011934241 [0,1,1,0,0,0|1,0,1]=4 5513 B17R0.7631 C=CCCCCCC(=O)NC(C)CCCCCC 240690a_100000210919_100011934241 [0,1,1,0,0,0|1,0,1]=4 5514 B17R0.7631 C=CCCCCCC(=O)NC(C)CCCCCC 527a_100000210919_100011934241 [0,1,1,0,0,0|1,0,1]=4 5515 B17R0.7631 CCCC/C=C/CC(=O)NC(C)CCCCCC 11a_100000210919_200016282684 [0,1,1,0,0,0|1,0,1]=4 5516 B17R0.7631 CCCC/C=C/CC(=O)NC(C)CCCCCC 1626a_100000210919_200016282684 [0,1,1,0,0,0|1,0,1]=4 5517 B17R0.7631 CCCC/C=C/CC(=O)NC(C)CCCCCC 240690a_100000210919_200016282684 [0,1,1,0,0,0|1,0,1]=4 5518 B17R0.7631 CCCC/C=C/CC(=O)NC(C)CCCCCC 527a_100000210919_200016282684 [0,1,1,0,0,0|1,0,1]=4 5519 B17R0.7631 CCCCCC#CC(=O)NC(C)CCCCCC 240690a_100000210919_100011215388 [0,1,1,0,0,0|1,0,1]=4 5520 B17R0.7631 CCCCCC=CC(=O)NC(C)CCCCCC 11a_100000210919_100016263427 [0,1,1,0,0,0|1,0,1]=4 5521 B17R0.7631 CCCCCC=CC(=O)NC(C)CCCCCC 1626a_100000210919_100016263427 [0,1,1,0,0,0|1,0,1]=4 5522 B17R0.7631 CCCCCC=CC(=O)NC(C)CCCCCC 240690a_100000210919_100016263427 [0,1,1,0,0,0|1,0,1]=4 5523 B17R0.7631 CCCCCCC(C)NC(=O)CCCCCCO 240690a_100000210919_100011996774 [0,1,1,0,0,0|1,0,0]=3 5524 B17R0.7631 CCCCCCC(C)NC(=O)CCCCCOC 11a_100000210919_100011935119 [0,1,1,0,0,0|1,0,0]=3 5525 B17R0.7631 CCCCCCC(C)NC(=O)CCCCCOC 1626a_100000210919_100011935119 [0,1,1,0,0,0|1,0,0]=3 5526 B17R0.7631 CCCCCCC(C)NC(=O)CCCCCOC 240690a_100000210919_100011935119 [0,1,1,0,0,0|1,0,0]=3 5527 B17R0.7631 CCCCCCC(C)NC(=O)CCCCCOC 527a_100000210919_100011935119 [0,1,1,0,0,0|1,0,0]=3 5528 B17R0.7631 CCCCCCC(C)NC(=O)CCOCCOC 11a_100000210919_100000745395 [0,1,1,0,0,0|2,0,0]=4 5529 B17R0.7631 CCCCCCC(C)NC(=O)CCOCCOC 1626a_100000210919_100000745395 [0,1,1,0,0,0|2,0,0]=4 5530 B17R0.7631 CCCCCCC(C)NC(=O)CCOCCOC 240690a_100000210919_100000745395 [0,1,1,0,0,0|2,0,0]=4 5531 B17R0.7631 CCCCCCC(C)NC(=O)CCOCCOC 527a_100000210919_100000745395 [0,1,1,0,0,0|2,0,0]=4 5532 B17R0.7631 CCCCCCC(C)NC(=O)CNCCCCC 2230a_100000209983_100000230341 [0,1,1,0,0,0|1,0,0]=3 5533 B17R0.7631 CCCCCCC(C)NC(=O)CNCCCCO 2230a_100000750430_100000230341 [0,1,1,0,0,0|2,0,0]=4 5534 B17R0.7631 CCCCCCC(C)NC(=O)CNCCCCO 34a_100000750430_100000230341 [0,1,1,0,0,0|2,0,0]=4 5535 B17R0.7631 CCCCCCC(C)NC(=O)CNCCCOC 34a_100150723488_100000230341 [0,1,1,0,0,0|2,0,0]=4 5536 B17R0.7631 CCCCCCC(C)NC(=O)CNCCCSC 2230a_100000749238_100000230341 [0,1,1,0,0,0|2,0,0]=4 5537 B17R0.7631 CCCCCCC(C)NC(=O)CNCCOCC 2230a_102516460346_100000230341 [0,1,1,0,0,0|2,0,0]=4 5538 B17R0.7631 CCCCCCC(C)NC(=O)CNCCOCC 34a_102516460346_100000230341 [0,1,1,0,0,0|2,0,0]=4 5539 B17R0.7631 CCCCCCC(C)NC(=O)CNCCSCC 2230a_100000106463_100000230341 [0,1,1,0,0,0|2,0,0]=4 5540 B17R0.7631 CCCCCCC(C)NC(=O)COCCCCBr 34a_100011216708_100000230341 [0,1,1,0,0,0|2,0,0]=4 5541 B17R0.7631 CCCCCCC(C)NC(=O)COCCCCC 34a_100000210253_100000230341 [0,1,1,0,0,0|1,0,0]=3 5542 B17R0.7631 CCCCCCC(C)NC(=O)COCCCCC 7a_100000210253_100000230341 [0,1,1,0,0,0|1,0,0]=3 5543 B17R0.7631 CCCCCCC(C)NC(=O)COCCCCCl 34a_100000210776_100000230341 [0,1,1,0,0,0|2,0,0]=4 5544 B17R0.7631 CCCCCCC(C)NC(=O)COCCCCCl 7a_100000210776_100000230341 [0,1,1,0,0,0|2,0,0]=4 5545 B17R0.7631 CCCCCCC(C)NC(=O)COCCCCF 34a_100011995726_100000230341 [0,1,1,0,0,0|2,0,0]=4 5546 B17R0.7631 CCCCCCC(C)NC(=O)COCCCCF 7a_100011995726_100000230341 [0,1,1,0,0,0|2,0,0]=4 5547 B17R0.7631 CCCCCCC(C)NC(=O)COCCCCI 34a_200012148704_100000230341 [0,1,1,0,0,0|2,0,0]=4 5548 B17R0.7631 CCCCCCC(C)NC(=O)COCCCCN 34a_100000750430_100000230341 [0,1,1,0,0,0|2,0,0]=4 5549 B17R0.7631 CCCCCCC(C)NC(=O)COCCCNC 34a_100000213112_100000230341 [0,1,1,0,0,0|2,0,0]=4 5550 B17R0.7631 CCCCCCC(C)NC(=O)COCCCOC 34a_100000740835_100000230341 [0,1,1,0,0,0|2,0,0]=4 5551 B17R0.7631 CCCCCCC(C)NC(=O)COCCCSC 34a_100000690336_100000230341 [0,1,1,0,0,0|2,0,0]=4 5552 B17R0.7631 CCCCCCC(C)NC(=O)COCCCSC 7a_100000690336_100000230341 [0,1,1,0,0,0|2,0,0]=4 5553 B17R0.7631 CCCCCCC(C)NC(=O)COCCOCC 34a_100000210136_100000230341 [0,1,1,0,0,0|2,0,0]=4 5554 B17R0.7631 CCCCCCC(C)NC(=O)COCCOCC 7a_100000210136_100000230341 [0,1,1,0,0,0|2,0,0]=4 5555 B17R0.7631 CCCCCCC(C)NC(=O)COCCSCC 34a_100000212035_100000230341 [0,1,1,0,0,0|2,0,0]=4 5556 B17R0.7631 CCCCCCC(C)NC(=O)COCCSCC 7a_100000212035_100000230341 [0,1,1,0,0,0|2,0,0]=4 5557 B17R0.7631 CCCCCCC(C)NC(=O)CSCCCCC 62a_100000210326_100000230341 [0,1,1,0,0,0|1,0,0]=3 5558 B17R0.7631 CCCCCCC(C)NC(=O)CSCCCCC 62a_100000230341_100000210326 [0,1,1,0,0,0|1,0,0]=3 5559 B17R0.7631 CCCCCCC(C)NC(=O)CSCCCCF 62a_100000230341_100000729493 [0,1,1,0,0,0|2,0,0]=4 5560 B17R0.7631 CCCCCCC(C)NC(=O)CSCCCCF 62a_100000729493_100000230341 [0,1,1,0,0,0|2,0,0]=4 5561 B17R0.7631 CCCCCCC(C)NC(=O)CSCCCCO 62a_100000210776_100000230341 [0,1,1,0,0,0|2,0,0]=4 5562 B17R0.7631 CCCCCCC(C)NC(=O)CSCCCCO 62a_100000230341_100000210776 [0,1,1,0,0,0|2,0,0]=4 5563 B17R0.7631 CCCCCCC(C)NC(=O)CSCCCOC 62a_100000230341_100000709357 [0,1,1,0,0,0|2,0,0]=4 5564 B17R0.7631 CCCCCCC(C)NC(=O)CSCCCOC 62a_100000709357_100000230341 [0,1,1,0,0,0|2,0,0]=4 5565 B17R0.7631 CCCCCCC(C)NC(=O)CSCCOCC 62a_100000210147_100000230341 [0,1,1,0,0,0|2,0,0]=4 5566 B17R0.7631 CCCCCCC(C)NC(=O)CSCCOCC 62a_100000230341_100011215890 [0,1,1,0,0,0|2,0,0]=4 5567 B17R0.7631 CCCCCCC(C)NC(=O)CSCCSCC 62a_100000230341_100000757381 [0,1,1,0,0,0|2,0,0]=4 5568 B17R0.7631 CCCCCCC(C)NC(=O)CSCCSCC 62a_100000757381_100000230341 [0,1,1,0,0,0|2,0,0]=4 5569 B17R0.7631 CCCCCCC(C)NC(=O)NCCCCCO 2708a_100000210919_100000762737 [0,1,1,0,0,0|2,0,0]=4 5570 B17R0.7631 CCCCCCC(C)NC(=O)NCCCCCO 273464a_100000210919_100000762737 [0,1,1,0,0,0|2,0,0]=4 5571 B17R0.7631 CCCCCCC(C)NC(=O)NCCCCCO 273464a_100000762737_100000210919 [0,1,1,0,0,0|2,0,0]=4 5572 B17R0.7631 CCCCCCC(C)NC(=O)NCCCCCO 512a_100000210919_100000762737 [0,1,1,0,0,0|2,0,0]=4 5573 B17R0.7631 CCCCCCC(C)NC(=O)NCCCCCO 512a_100000762737_100000210919 [0,1,1,0,0,0|2,0,0]=4 5574 B17R0.7631 CCCCCCC(C)NC(=O)NCCCOCC 2708a_100000210919_100000210961 [0,1,1,0,0,0|2,0,0]=4 5575 B17R0.7631 CCCCCCC(C)NC(=O)NCCCOCC 2708a_100000210961_100000210919 [0,1,1,0,0,0|2,0,0]=4 5576 B17R0.7631 CCCCCCC(C)NC(=O)NCCCOCC 273464a_100000210919_100000210961 [0,1,1,0,0,0|2,0,0]=4 5577 B17R0.7631 CCCCCCC(C)NC(=O)NCCCOCC 273464a_100000210961_100000210919 [0,1,1,0,0,0|2,0,0]=4 5578 B17R0.7631 CCCCCCC(C)NC(=O)NCCCOCC 512a_100000210919_100000210961 [0,1,1,0,0,0|2,0,0]=4 5579 B17R0.7631 CCCCCCC(C)NC(=O)NCCCOCC 512a_100000210961_100000210919 [0,1,1,0,0,0|2,0,0]=4 5580 B17R0.7631 CCCCCCC(C)NC(=O)NCCOCCC 2708a_100000210919_100161115042 [0,1,1,0,0,0|2,0,0]=4 5581 B17R0.7631 CCCCCCC(C)NC(=O)NCCOCCC 2708a_100161115042_100000210919 [0,1,1,0,0,0|2,0,0]=4 5582 B17R0.7631 CCCCCCC(C)NC(=O)NCCOCCC 273464a_100000210919_100161115042 [0,1,1,0,0,0|2,0,0]=4 5583 B17R0.7631 CCCCCCC(C)NC(=O)NCCOCCC 273464a_100161115042_100000210919 [0,1,1,0,0,0|2,0,0]=4 5584 B17R0.7631 CCCCCCC(C)NC(=O)NCCOCCC 512a_100000210919_100161115042 [0,1,1,0,0,0|2,0,0]=4 5585 B17R0.7631 CCCCCCC(C)NC(=O)NCCOCCC 512a_100161115042_100000210919 [0,1,1,0,0,0|2,0,0]=4 5586 B17R0.7631 CCCCCCC(C)NC(=O)NCCSCCC 2708a_100000210919_100020603323 [0,1,1,0,0,0|2,0,0]=4 5587 B17R0.7631 CCCCCCC(C)NC(=O)NCCSCCC 2708a_100020603323_100000210919 [0,1,1,0,0,0|2,0,0]=4 5588 B17R0.7631 CCCCCCC(C)NC(=O)NCCSCCC 273464a_100000210919_100020603323 [0,1,1,0,0,0|2,0,0]=4 5589 B17R0.7631 CCCCCCC(C)NC(=O)NCCSCCC 273464a_100020603323_100000210919 [0,1,1,0,0,0|2,0,0]=4 5590 B17R0.7631 CCCCCCC(C)NC(=O)NCCSCCC 512a_100000210919_100020603323 [0,1,1,0,0,0|2,0,0]=4 5591 B17R0.7631 CCCCCCC(C)NC(=O)NCCSCCC 512a_100020603323_100000210919 [0,1,1,0,0,0|2,0,0]=4 5592 B17R0.7631 CCCCCCC(C)NC(=O)NNCCCCC 273464a_100000210919_100000694160 [0,1,1,0,0,0|2,0,0]=4 5593 B17R0.7631 CCCCCCC(C)NC(=O)NNCCCCC 512a_100000210919_100000694160 [0,1,1,0,0,0|2,0,0]=4 5594 B17R0.7631 CCCCCCC(C)NC(=O)NNCCCCC 512a_100000694160_100000210919 [0,1,1,0,0,0|2,0,0]=4 5595 B17R0.7631 CCCCCCCC(=O)NC(C)CCCCCC 11a_100000210919_100000211969 [0,1,1,0,0,0|1,0,0]=3 5596 B17R0.7631 CCCCCCCC(=O)NC(C)CCCCCC 1626a_100000210919_100000211969 [0,1,1,0,0,0|1,0,0]=3 5597 B17R0.7631 CCCCCCCC(=O)NC(C)CCCCCC 240690a_100000210919_100000211969 [0,1,1,0,0,0|1,0,0]=3 5598 B17R0.7631 CCCCCCCC(=O)NC(C)CCCCCC 527a_100000210919_100000211969 [0,1,1,0,0,0|1,0,0]=3 5599 B17R0.7631 CCCCCCCC(O)CC(=O)CCCCCC 1458a_200011667753_100000210757 [0,1,1,0,0,0|1,0,0]=3 5600 B17R0.7631 CCCCCCCC(O)CC(=O)CCCCCF 1458a_200011667753_100000729378 [0,1,1,0,0,0|2,0,0]=4 5601 B17R0.7631 CCCCCCCC(O)CC(=O)CCCCCO 1458a_200011667753_100000746330 [0,1,1,0,0,0|2,0,0]=4 5602 B17R0.7631 CCCCCCCC(O)CC(=O)CCCCOC 1458a_200011667753_100000755781 [0,1,1,0,0,0|2,0,0]=4 5603 B17R0.7631 CCCCCCCC(O)CC(=O)CCCOCC 1458a_200011667753_100012232248 [0,1,1,0,0,0|2,0,0]=4 5604 B17R0.7631 CCCCCCCC(O)CC(=O)CCOCCC 1458a_200011667753_100011215938 [0,1,1,0,0,0|2,0,0]=4 5605 B17R0.7631 CCCCCCCC(O)CC(=O)COCCCC 1458a_200011667753_100011995733 [0,1,1,0,0,0|2,0,0]=4 5606 B17R0.7631 CCCCCCCC(O)CC(=O)NCCCCC 1626a_100000209983_200011667753 [0,1,1,0,0,0|2,0,0]=4 5607 B17R0.7631 CCCCCCCC(O)CC(=O)NCCCCC 240690a_100000209983_200011667753 [0,1,1,0,0,0|2,0,0]=4 5608 B17R0.7631 CCCCCCCN(C)CC(=O)NCCCCC 2230a_100000228206_100000230301 [0,1,1,0,0,0|2,0,0]=4 5609 B17R0.7631 CCCCCCCN(C)CC(=O)NCCCCC 269982a_100000228206_100000230301 [0,1,1,0,0,0|2,0,0]=4 5610 B17R0.7631 CCCCCCNC(=O)CC(=O)CCCCCC 1458a_100102632555_100000230325 [0,1,1,0,0,0|1,0,1]=4 5611 B17R0.7631 CCCCCCNC(=O)CN(C)CCCCCC 2230a_106256046315_100000230325 [0,1,1,0,0,0|1,0,0]=3 5612 B17R0.7631 CCCCCCNC(=O)CN(C)CCCCCC 269982a_106256046315_100000230325 [0,1,1,0,0,0|1,0,0]=3 5613 B17R0.7631 CCCCCCNC(=O)CN(C)CCCCCO 2230a_100000722520_100000230325 [0,1,1,0,0,0|2,0,0]=4 5614 B17R0.7631 CCCCCCNC(=O)CN(C)CCCCCO 269982a_100000722520_100000230325 [0,1,1,0,0,0|2,0,0]=4 5615 B17R0.7631 CCCCCCNC(=O)NC(C)CCCCCC 2708a_100000210581_100000210919 [0,1,1,0,0,0|1,0,0]=3 5616 B17R0.7631 CCCCCCNC(=O)NC(C)CCCCCC 2708a_100000210919_100000210581 [0,1,1,0,0,0|1,0,0]=3 5617 B17R0.7631 CCCCCCNC(=O)NC(C)CCCCCC 273464a_100000210581_100000210919 [0,1,1,0,0,0|1,0,0]=3 5618 B17R0.7631 CCCCCCNC(=O)NC(C)CCCCCC 273464a_100000210919_100000210581 [0,1,1,0,0,0|1,0,0]=3 5619 B17R0.7631 CCCCCCNC(=O)NC(C)CCCCCC 512a_100000210581_100000210919 [0,1,1,0,0,0|1,0,0]=3 5620 B17R0.7631 CCCCCCNC(=O)NC(C)CCCCCC 512a_100000210919_100000210581 [0,1,1,0,0,0|1,0,0]=3 5621 B17R0.8773 CCCCCCC(C)NS(=O)(=O)CCCCCC 270084a_100000210919_100011361803 [0,1,1,0,0,0|2,0,0]=4 5622 B17R0.8773 CCCCCCC(C)NS(=O)(=O)CCCCCC 274078a_100000210919_100011361803 [0,1,1,0,0,0|2,0,0]=4 5623 B17R0.12363 CCCCCCC(C)NC(=O)C(C)CCCCC 11a_100000210919_100011215998 [0,1,1,0,0,0|1,0,0]=3 5624 B17R0.12363 CCCCCCC(C)NC(=O)C(C)CCCCC 1626a_100000210919_100011215998 [0,1,1,0,0,0|1,0,0]=3 5625 B17R0.12363 CCCCCCC(C)NC(=O)C(C)CCCCC 240690a_100000210919_100011215998 [0,1,1,0,0,0|1,0,0]=3 5626 B17R0.12363 CCCCCCC(C)NC(=O)C(C)CCCCC 527a_100000210919_100011215998 [0,1,1,0,0,0|1,0,0]=3 5627 B17R0.12363 CCCCCCC(C)NC(=O)C(C)SCCCC 11a_100000210919_100000191163 [0,1,1,0,0,0|2,0,0]=4 5628 B17R0.12363 CCCCCCC(C)NC(=O)C(C)SCCCC 1626a_100000210919_100000191163 [0,1,1,0,0,0|2,0,0]=4 5629 B17R0.12363 CCCCCCC(C)NC(=O)C(C)SCCCC 240690a_100000210919_100000191163 [0,1,1,0,0,0|2,0,0]=4 5630 B17R0.12363 CCCCCCC(C)NC(=O)C(C)SCCCC 527a_100000210919_100000191163 [0,1,1,0,0,0|2,0,0]=4 5631 B17R0.12363 CCCCCCC(C)NC(=O)N(C)CCCCC 2708a_100000210919_100000223495 [0,1,1,0,0,0|2,0,0]=4 5632 B17R0.12363 CCCCCCC(C)NC(=O)N(C)CCCCC 273464a_100000210919_100000223495 [0,1,1,0,0,0|2,0,0]=4 5633 B17R0.38 C=C(C)CCOC(C)CCCCCCCCCC 34a_100011215000_100000730704 [0,1,1,0,0,0|2,0,0]=4 5634 B17R0.38 C=C(C)CCOC(C)CCCCCCCCCC 7a_100011215000_100000730704 [0,1,1,0,0,0|2,0,0]=4 5635 B17R0.38 C=CCCCCCCCCC(=O)CCCC(C)C 1458a_100000211349_100011214892 [0,1,1,0,0,0|1,0,1]=4 5636 B17R0.38 C=CCCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100011933949 [0,1,1,0,0,0|1,0,1]=4 5637 B17R0.38 C=CCCCCCCCNC(C)CCCC(C)C 2230a_100000210607_100012355270 [0,1,1,0,0,0|2,0,0]=4 5638 B17R0.38 C=CCCCCCCCOC(C)CCCC(C)C 34a_200011218570_100012355270 [0,1,1,0,0,0|2,0,0]=4 5639 B17R0.38 C=CCCCCCCCOC(C)CCCC(C)C 7a_200011218570_100012355270 [0,1,1,0,0,0|2,0,0]=4 5640 B17R0.38 C=CCCCCCNCCC(C)CCCC(C)C 2230a_102516457229_100000700193 [0,1,1,0,0,0|2,0,0]=4 5641 B17R0.38 C=CCCCCCOCCC(C)CCCC(C)C 34a_100000015991_100000700193 [0,1,1,0,0,0|2,0,0]=4 5642 B17R0.38 C=CCCCCCOCCC(C)CCCC(C)C 34a_100011216702_100009816328 [0,1,1,0,0,0|2,0,0]=4 5643 B17R0.38 C=CCCCCCOCCC(C)CCCC(C)C 7a_100000015991_100000700193 [0,1,1,0,0,0|2,0,0]=4 5644 B17R0.38 C=CCCCCCOCCC(C)CCCC(C)C 7a_100011216702_100009816328 [0,1,1,0,0,0|2,0,0]=4 5645 B17R0.38 CC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215641 [0,1,1,0,0,0|1,0,1]=4 5646 B17R0.38 CC(C)CCCC(C)CCNCCCCCC=O 2230a_102516457229_100000139337 [0,1,1,0,0,0|1,0,0]=3 5647 B17R0.38 CC(C)CCCC(C)CCOCCCCCC=O 7a_100000015991_100000139337 [0,1,1,0,0,0|1,0,0]=3 5648 B17R0.38 CC(C)CCCC(C)CCSCCCCCC=O 62a_100000139337_100009816328 [0,1,1,0,0,0|1,0,0]=3 5649 B17R0.38 CC(C)CCCC(C)CCSCCCCCC=O 62a_100009816328_100000139337 [0,1,1,0,0,0|1,0,0]=3 5650 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210375_100011215641 [0,1,1,0,0,0|0,0,1]=3 5651 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210375_100102525003 [0,1,1,0,0,0|1,0,1]=4 5652 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210319 [0,1,1,0,0,0|1,0,1]=4 5653 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210375_100000189650 [0,1,1,0,0,0|1,0,1]=4 5654 B17R0.38 CCCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210375_100009814007 [0,1,1,0,0,0|1,0,1]=4 5655 B17R0.38 CCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210319 [0,1,1,0,0,0|1,0,1]=4 5656 B17R0.38 CCCCCCCCCCC(C)OCCC(=O)C 7a_100011215000_100000053229 [0,1,1,0,0,0|1,0,0]=3 5657 B17R0.38 CCCCCCCCCCC(C)OCCC(=O)N 34a_100011215000_100000731001 [0,1,1,0,0,0|2,0,0]=4 5658 B17R0.38 CCCCCCCCCCC(C)OCCC(=O)N 7a_100011215000_100000744528 [0,1,1,0,0,0|2,0,0]=4 5659 B17R0.38 CCCCCCCCCCC(C)OCOC(=O)C 34a_100011215000_100009813279 [0,1,1,0,0,0|2,0,0]=4 5660 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)C 269982a_100000207566_100011215641 [0,1,1,0,0,0|1,0,0]=3 5661 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)N 269982a_100000207566_100102525003 [0,1,1,0,0,0|2,0,0]=4 5662 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210320 [0,1,1,0,0,0|2,0,0]=4 5663 B17R0.38 CCCCCCCCCCN(C)CCNC(=O)C 2230a_100000207566_100000189650 [0,1,1,0,0,0|2,0,0]=4 5664 B17R0.38 CCCCCCCCCCN(C)CCNC(=O)C 269982a_100000207566_100000189650 [0,1,1,0,0,0|2,0,0]=4 5665 B17R0.38 CCCCCCCCCCN(C)CCOC(=O)C 269982a_100000207566_100009814007 [0,1,1,0,0,0|2,0,0]=4 5666 B17R0.38 CCCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210328 [0,1,1,0,0,0|2,0,0]=4 5667 B17R0.38 CCCCCCCCOCC(=O)CCCC(=O)C 1458a_100000759886_100011215641 [0,1,1,0,0,0|1,0,1]=4 5668 B17R0.43 C#CCCCCCCCCCCOCCC(=O)C 7a_100000054667_100000053229 [0,1,1,0,0,0|0,0,2]=4 5669 B17R0.43 C#CCCCCCCCCCCOCCC(C)C 34a_100000054667_100000210312 [0,1,1,0,0,0|1,0,1]=4 5670 B17R0.43 C#CCCCCCCCCCCOCCC(C)C 7a_100000054667_100000210626 [0,1,1,0,0,0|1,0,1]=4 5671 B17R0.43 C#CCCCCCCCCCOCCCC(=O)C 34a_100000034437_100000685027 [0,1,1,0,0,0|0,0,2]=4 5672 B17R0.43 C#CCCCCCCCCCOCCCC(=O)C 7a_100000034437_100011215641 [0,1,1,0,0,0|0,0,2]=4 5673 B17R0.43 C#CCCCCCCCCCOCCCC(C)C 34a_100000034437_100011214892 [0,1,1,0,0,0|1,0,1]=4 5674 B17R0.43 C#CCCCCCCCCCOCCCC(C)C 7a_100000034437_100011214892 [0,1,1,0,0,0|1,0,1]=4 5675 B17R0.43 C#CCCCCCCCCOCCCCC(=O)C 34a_100000065265_100009817362 [0,1,1,0,0,0|0,0,2]=4 5676 B17R0.43 C#CCCCCCCCCOCCCCC(=O)C 7a_100000065265_100000735457 [0,1,1,0,0,0|0,0,2]=4 5677 B17R0.43 C#CCCCCCCCCOCCCCC(C)C 34a_100000065265_100011216152 [0,1,1,0,0,0|1,0,1]=4 5678 B17R0.43 C#CCCCCCCCCOCCCCC(C)C 7a_100000065265_100011216152 [0,1,1,0,0,0|1,0,1]=4 5679 B17R0.43 C#CCCCCCCCNCCCCCC(C)C 2230a_100011290863_100153394163 [0,1,1,0,0,0|1,0,1]=4 5680 B17R0.43 C#CCCCCCCCNCCCCCC(C)C 34a_100011290863_100153394163 [0,1,1,0,0,0|1,0,1]=4 5681 B17R0.43 C#CCCCCCCCOCCCCCC(C)C 34a_100000054614_100000210682 [0,1,1,0,0,0|1,0,1]=4 5682 B17R0.43 C#CCCCCCCCOCCCCCC(C)C 34a_100011995859_100153394163 [0,1,1,0,0,0|1,0,1]=4 5683 B17R0.43 C#CCCCCCCCOCCCCCC(C)C 7a_100000054614_100000210682 [0,1,1,0,0,0|1,0,1]=4 5684 B17R0.43 C#CCCCCCCCOCCCCCC(C)C 7a_100011995859_100153394163 [0,1,1,0,0,0|1,0,1]=4 5685 B17R0.43 C#CCCCCCCCSCCCCCC(C)C 62a_100000210682_100153394163 [0,1,1,0,0,0|1,0,1]=4 5686 B17R0.43 C#CCCCCCCCSCCCCCC(C)C 62a_100153394163_100000210682 [0,1,1,0,0,0|1,0,1]=4 5687 B17R0.43 C#CCCCCCCNCCCCCCC(C)C 2230a_100000211014_100012276617 [0,1,1,0,0,0|1,0,1]=4 5688 B17R0.43 C#CCCCCCCNCCCCCCC(C)C 34a_100000211014_100012276617 [0,1,1,0,0,0|1,0,1]=4 5689 B17R0.43 C#CCCCCCOCCCCCCCC(C)C 34a_200000210741_100012094781 [0,1,1,0,0,0|1,0,1]=4 5690 B17R0.43 C#CCCCCCOCCCCCCCC(C)C 7a_200000210741_100012094781 [0,1,1,0,0,0|1,0,1]=4 5691 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 2230a_100000210451_100000730704 [0,1,1,0,0,0|1,0,0]=3 5692 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 34a_100000210451_100000730704 [0,1,1,0,0,0|1,0,0]=3 5693 B17R0.43 C=C(C)CCOCCCCCCCCCCCBr 34a_100009812471_100000730704 [0,1,1,0,0,0|2,0,0]=4 5694 B17R0.43 C=C(C)CCOCCCCCCCCCCCBr 7a_100009812471_100000730704 [0,1,1,0,0,0|2,0,0]=4 5695 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000210810_100000730704 [0,1,1,0,0,0|1,0,0]=3 5696 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000764851_100000759014 [0,1,1,0,0,0|1,0,0]=3 5697 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 7a_100000210810_100000730704 [0,1,1,0,0,0|1,0,0]=3 5698 B17R0.43 C=C(C)CCOCCCCCCCCCCCO 34a_100000764851_100009812471 [0,1,1,0,0,0|2,0,0]=4 5699 B17R0.43 C=C(C)CCOCCCCCCCCCOCC 34a_100009875440_100000730704 [0,1,1,0,0,0|2,0,0]=4 5700 B17R0.43 C=C(C)CCOCCCCCCCCCOCC 7a_100009875440_100000730704 [0,1,1,0,0,0|2,0,0]=4 5701 B17R0.43 C=C(C)CCSCCCCCCCCCCCO 62a_100009812471_100000730704 [0,1,1,0,0,0|2,0,0]=4 5702 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 2230a_100011215765_100000748629 [0,1,1,0,0,0|1,0,0]=3 5703 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 34a_100011215765_100000748629 [0,1,1,0,0,0|1,0,0]=3 5704 B17R0.43 C=C(C)CNCCCCCCCCCCCCO 2230a_100000066677_100000748629 [0,1,1,0,0,0|2,0,0]=4 5705 B17R0.43 C=C(C)CNCCCCCCCCCCCCO 34a_100000066677_100000748629 [0,1,1,0,0,0|2,0,0]=4 5706 B17R0.43 C=C(C)COCCCCCCCCCCCCBr 34a_100009813331_100000748629 [0,1,1,0,0,0|2,0,0]=4 5707 B17R0.43 C=C(C)COCCCCCCCCCCCCBr 7a_100009813331_100000748629 [0,1,1,0,0,0|2,0,0]=4 5708 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000185773_100000748629 [0,1,1,0,0,0|1,0,0]=3 5709 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000210245_100000210684 [0,1,1,0,0,0|1,0,0]=3 5710 B17R0.43 C=C(C)COCCCCCCCCCCCCC 7a_100000185773_100000748629 [0,1,1,0,0,0|1,0,0]=3 5711 B17R0.43 C=C(C)COCCCCCCCCCCCCN 34a_100000066677_100000748629 [0,1,1,0,0,0|2,0,0]=4 5712 B17R0.43 C=C(C)COCCCCCCCCCCCCO 34a_100000210245_100009813331 [0,1,1,0,0,0|2,0,0]=4 5713 B17R0.43 C=C(C)COCCSCCCCCCCCCC 34a_100011628728_100000748629 [0,1,1,0,0,0|2,0,0]=4 5714 B17R0.43 C=C(C)COCCSCCCCCCCCCC 7a_100011628728_100000748629 [0,1,1,0,0,0|2,0,0]=4 5715 B17R0.43 C=C(C)CSCCCCCCCCCCCCO 62a_100009813331_100000211660 [0,1,1,0,0,0|2,0,0]=4 5716 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 2230a_100011215765_100009893438 [0,1,1,0,0,0|1,0,1]=4 5717 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 34a_100011215765_100009893438 [0,1,1,0,0,0|1,0,1]=4 5718 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_100000185773_100009893438 [0,1,1,0,0,0|1,0,1]=4 5719 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_200010262243_100000210684 [0,1,1,0,0,0|1,0,1]=4 5720 B17R0.43 C=C(F)COCCCCCCCCCCCCC 7a_100000185773_100000042424 [0,1,1,0,0,0|1,0,1]=4 5721 B17R0.43 C=CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_102495333938 [0,1,1,0,0,0|0,0,1]=3 5722 B17R0.43 C=CCCCCCCCCCCCCCN(C)C 2230a_100102631434_102495333938 [0,1,1,0,0,0|2,0,0]=4 5723 B17R0.43 C=CCCCCCCCCCCCCCN(C)C 269982a_100102631434_102495333938 [0,1,1,0,0,0|2,0,0]=4 5724 B17R0.43 C=CCCCCCCCCCCCNCC(C)C 2230a_100000210953_102130925996 [0,1,1,0,0,0|1,0,0]=3 5725 B17R0.43 C=CCCCCCCCCCCCNCC(C)C 34a_100000210953_102130925996 [0,1,1,0,0,0|1,0,0]=3 5726 B17R0.43 C=CCCCCCCCCCCCNCC(C)O 2230a_100000210904_102130925996 [0,1,1,0,0,0|2,0,0]=4 5727 B17R0.43 C=CCCCCCCCCCCCNCC(C)O 34a_100000210904_102130925996 [0,1,1,0,0,0|2,0,0]=4 5728 B17R0.43 C=CCCCCCCCCCCCOCC(=O)C 34a_100000211253_102130925996 [0,1,1,0,0,0|0,0,2]=4 5729 B17R0.43 C=CCCCCCCCCCCCOCC(C)Br 34a_100012180447_102130925996 [0,1,1,0,0,0|2,0,0]=4 5730 B17R0.43 C=CCCCCCCCCCCCOCC(C)C 34a_100000210257_102130925996 [0,1,1,0,0,0|1,0,0]=3 5731 B17R0.43 C=CCCCCCCCCCCCOCC(C)F 34a_100015925927_102130925996 [0,1,1,0,0,0|2,0,0]=4 5732 B17R0.43 C=CCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_102130925996 [0,1,1,0,0,0|2,0,0]=4 5733 B17R0.43 C=CCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_102130925996 [0,1,1,0,0,0|2,0,0]=4 5734 B17R0.43 C=CCCCCCCCCCCCSCC(C)O 62a_100011218427_102130925996 [0,1,1,0,0,0|2,0,0]=4 5735 B17R0.43 C=CCCCCCCCCCCCSCC(C)O 62a_102130925996_100011218427 [0,1,1,0,0,0|2,0,0]=4 5736 B17R0.43 C=CCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_102130925996 [0,1,1,0,0,0|2,0,0]=4 5737 B17R0.43 C=CCCCCCCCCCCCSC[C@@H](C)O 62a_102130925996_100009817552 [0,1,1,0,0,0|2,0,0]=4 5738 B17R0.43 C=CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011093070 [0,1,1,0,0,0|2,0,0]=4 5739 B17R0.43 C=CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011093070 [0,1,1,0,0,0|0,0,2]=4 5740 B17R0.43 C=CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011093070 [0,1,1,0,0,0|0,0,2]=4 5741 B17R0.43 C=CCCCCCCCCCCOCCC(C)Br 34a_100009893172_100011093070 [0,1,1,0,0,0|2,0,0]=4 5742 B17R0.43 C=CCCCCCCCCCCOCCC(C)C 34a_100000210254_100011093070 [0,1,1,0,0,0|1,0,0]=3 5743 B17R0.43 C=CCCCCCCCCCCOCCC(C)C 7a_100000210254_100011093070 [0,1,1,0,0,0|1,0,0]=3 5744 B17R0.43 C=CCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011093070 [0,1,1,0,0,0|2,0,0]=4 5745 B17R0.43 C=CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011093070 [0,1,1,0,0,0|0,0,2]=4 5746 B17R0.43 C=CCCCCCCCCCCSCCC(=O)C 62a_100011093070_100000053229 [0,1,1,0,0,0|0,0,2]=4 5747 B17R0.43 C=CCCCCCCCCCCSCCC(C)O 62a_100011093070_100012276601 [0,1,1,0,0,0|2,0,0]=4 5748 B17R0.43 C=CCCCCCCCCCCSCCC(C)O 62a_100012276601_100011093070 [0,1,1,0,0,0|2,0,0]=4 5749 B17R0.43 C=CCCCCCCCCCCSCCN(C)C 62a_100011093070_100000755713 [0,1,1,0,0,0|2,0,0]=4 5750 B17R0.43 C=CCCCCCCCCCCSCOC(C)C 62a_100000709892_100011093070 [0,1,1,0,0,0|2,0,0]=4 5751 B17R0.43 C=CCCCCCCCCCCSCOC(C)C 62a_100011093070_100000709892 [0,1,1,0,0,0|2,0,0]=4 5752 B17R0.43 C=CCCCCCCCCCNCCCC(=O)C 34a_100000081888_100000685027 [0,1,1,0,0,0|0,0,2]=4 5753 B17R0.43 C=CCCCCCCCCCNCCCC(C)C 2230a_100000081888_100011214892 [0,1,1,0,0,0|1,0,0]=3 5754 B17R0.43 C=CCCCCCCCCCNCCCC(C)C 2230a_200000737386_100009814027 [0,1,1,0,0,0|1,0,0]=3 5755 B17R0.43 C=CCCCCCCCCCNCCCC(C)C 34a_100000081888_100011214892 [0,1,1,0,0,0|1,0,0]=3 5756 B17R0.43 C=CCCCCCCCCCNCCCC(C)C 34a_200000737386_100009814027 [0,1,1,0,0,0|1,0,0]=3 5757 B17R0.43 C=CCCCCCCCCCNCCCC(C)O 2230a_100000081888_200000718107 [0,1,1,0,0,0|2,0,0]=4 5758 B17R0.43 C=CCCCCCCCCCNCCCC(C)O 34a_100000081888_200000718107 [0,1,1,0,0,0|2,0,0]=4 5759 B17R0.43 C=CCCCCCCCCCNCCOC(C)C 2230a_100000081888_100000211751 [0,1,1,0,0,0|2,0,0]=4 5760 B17R0.43 C=CCCCCCCCCCNCCOC(C)C 2230a_100000701111_100009814027 [0,1,1,0,0,0|2,0,0]=4 5761 B17R0.43 C=CCCCCCCCCCNCCOC(C)C 34a_100000081888_100000211751 [0,1,1,0,0,0|2,0,0]=4 5762 B17R0.43 C=CCCCCCCCCCNCCOC(C)C 34a_100000701111_100009814027 [0,1,1,0,0,0|2,0,0]=4 5763 B17R0.43 C=CCCCCCCCCCNCCSC(C)C 2230a_100000081888_100000730970 [0,1,1,0,0,0|2,0,0]=4 5764 B17R0.43 C=CCCCCCCCCCNCCSC(C)C 2230a_100000731138_100009814027 [0,1,1,0,0,0|2,0,0]=4 5765 B17R0.43 C=CCCCCCCCCCNCCSC(C)C 34a_100000081888_100000730970 [0,1,1,0,0,0|2,0,0]=4 5766 B17R0.43 C=CCCCCCCCCCNCCSC(C)C 34a_100000731138_100009814027 [0,1,1,0,0,0|2,0,0]=4 5767 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 34a_100000038209_100000685027 [0,1,1,0,0,0|0,0,2]=4 5768 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100009814027 [0,1,1,0,0,0|0,0,2]=4 5769 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 7a_100000038209_100011215641 [0,1,1,0,0,0|0,0,2]=4 5770 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100009814027 [0,1,1,0,0,0|0,0,2]=4 5771 B17R0.43 C=CCCCCCCCCCOCCCC(C)C 34a_100000038209_100011214892 [0,1,1,0,0,0|1,0,0]=3 5772 B17R0.43 C=CCCCCCCCCCOCCCC(C)C 34a_100000210774_100009814027 [0,1,1,0,0,0|1,0,0]=3 5773 B17R0.43 C=CCCCCCCCCCOCCCC(C)C 7a_100000038209_100011214892 [0,1,1,0,0,0|1,0,0]=3 5774 B17R0.43 C=CCCCCCCCCCOCCCC(C)C 7a_100000210774_100009814027 [0,1,1,0,0,0|1,0,0]=3 5775 B17R0.43 C=CCCCCCCCCCOCCCC(C)O 34a_100000038209_200000718107 [0,1,1,0,0,0|2,0,0]=4 5776 B17R0.43 C=CCCCCCCCCCOCCCC(C)O 7a_100000038209_200000718107 [0,1,1,0,0,0|2,0,0]=4 5777 B17R0.43 C=CCCCCCCCCCOCCCN(C)C 7a_100000038209_100000757444 [0,1,1,0,0,0|2,0,0]=4 5778 B17R0.43 C=CCCCCCCCCCOCCNC(C)C 34a_100000224655_100009814027 [0,1,1,0,0,0|2,0,0]=4 5779 B17R0.43 C=CCCCCCCCCCOCCOC(C)C 34a_100000038209_100000211751 [0,1,1,0,0,0|2,0,0]=4 5780 B17R0.43 C=CCCCCCCCCCOCCOC(C)C 34a_100000211219_100009814027 [0,1,1,0,0,0|2,0,0]=4 5781 B17R0.43 C=CCCCCCCCCCOCCOC(C)C 7a_100000038209_100000211751 [0,1,1,0,0,0|2,0,0]=4 5782 B17R0.43 C=CCCCCCCCCCOCCOC(C)C 7a_100000211219_100009814027 [0,1,1,0,0,0|2,0,0]=4 5783 B17R0.43 C=CCCCCCCCCCOCCSC(C)C 34a_100000038209_100000730970 [0,1,1,0,0,0|2,0,0]=4 5784 B17R0.43 C=CCCCCCCCCCOCCSC(C)C 34a_200011212901_100009814027 [0,1,1,0,0,0|2,0,0]=4 5785 B17R0.43 C=CCCCCCCCCCOCCSC(C)C 7a_100000038209_100000730970 [0,1,1,0,0,0|2,0,0]=4 5786 B17R0.43 C=CCCCCCCCCCOCCSC(C)C 7a_200011212901_100009814027 [0,1,1,0,0,0|2,0,0]=4 5787 B17R0.43 C=CCCCCCCCCCSCCCC(=O)C 62a_100009814027_100011215641 [0,1,1,0,0,0|0,0,2]=4 5788 B17R0.43 C=CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100009814027 [0,1,1,0,0,0|0,0,2]=4 5789 B17R0.43 C=CCCCCCCCCCSCCCC(C)O 62a_100009814027_200000718107 [0,1,1,0,0,0|2,0,0]=4 5790 B17R0.43 C=CCCCCCCCCCSCCCC(C)O 62a_200000718107_100009814027 [0,1,1,0,0,0|2,0,0]=4 5791 B17R0.43 C=CCCCCCCCCCSCCCN(C)C 62a_100009814027_100000757444 [0,1,1,0,0,0|2,0,0]=4 5792 B17R0.43 C=CCCCCCCCCCSCCOC(C)C 62a_100000211751_100009814027 [0,1,1,0,0,0|2,0,0]=4 5793 B17R0.43 C=CCCCCCCCCCSCCOC(C)C 62a_100009814027_100000211751 [0,1,1,0,0,0|2,0,0]=4 5794 B17R0.43 C=CCCCCCCCCNCCCOC(C)C 2230a_100000737246_100011933949 [0,1,1,0,0,0|2,0,0]=4 5795 B17R0.43 C=CCCCCCCCCNCCCOC(C)C 34a_100000737246_100011933949 [0,1,1,0,0,0|2,0,0]=4 5796 B17R0.43 C=CCCCCCCCCOCCCCC(=O)C 34a_100011215194_100009817362 [0,1,1,0,0,0|0,0,2]=4 5797 B17R0.43 C=CCCCCCCCCOCCCCC(=O)C 7a_100011215194_100000735457 [0,1,1,0,0,0|0,0,2]=4 5798 B17R0.43 C=CCCCCCCCCOCCCCC(C)C 34a_100011214890_100011933949 [0,1,1,0,0,0|1,0,0]=3 5799 B17R0.43 C=CCCCCCCCCOCCCCC(C)C 34a_100011215194_100011216152 [0,1,1,0,0,0|1,0,0]=3 5800 B17R0.43 C=CCCCCCCCCOCCCCC(C)C 7a_100011214890_100011933949 [0,1,1,0,0,0|1,0,0]=3 5801 B17R0.43 C=CCCCCCCCCOCCCCC(C)C 7a_100011215194_100011216152 [0,1,1,0,0,0|1,0,0]=3 5802 B17R0.43 C=CCCCCCCCCOCCCNC(C)C 34a_100000182298_100011933949 [0,1,1,0,0,0|2,0,0]=4 5803 B17R0.43 C=CCCCCCCCCOCCNCC(C)C 34a_100015185251_100011933949 [0,1,1,0,0,0|2,0,0]=4 5804 B17R0.43 C=CCCCCCCCCOCCOCC(C)C 34a_100000703358_100011933949 [0,1,1,0,0,0|2,0,0]=4 5805 B17R0.43 C=CCCCCCCCCOCCOCC(C)C 7a_100000703358_100011933949 [0,1,1,0,0,0|2,0,0]=4 5806 B17R0.43 C=CCCCCCCCCOCCSCC(C)C 34a_200000230437_100011933949 [0,1,1,0,0,0|2,0,0]=4 5807 B17R0.43 C=CCCCCCCCCOCCSCC(C)C 7a_200000230437_100011933949 [0,1,1,0,0,0|2,0,0]=4 5808 B17R0.43 C=CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100011933949 [0,1,1,0,0,0|0,0,2]=4 5809 B17R0.43 C=CCCCCCCCCSCCCCC(=O)C 62a_100011933949_100000735457 [0,1,1,0,0,0|0,0,2]=4 5810 B17R0.43 C=CCCCCCCCCSCCCCN(C)C 62a_100011933949_100000690147 [0,1,1,0,0,0|2,0,0]=4 5811 B17R0.43 C=CCCCCCCCNCCCCCC(C)C 2230a_100011290863_100012355270 [0,1,1,0,0,0|1,0,0]=3 5812 B17R0.43 C=CCCCCCCCNCCCCCC(C)C 34a_100011290863_100012355270 [0,1,1,0,0,0|1,0,0]=3 5813 B17R0.43 C=CCCCCCCCNCCCOCC(C)C 2230a_100000205972_100012355270 [0,1,1,0,0,0|2,0,0]=4 5814 B17R0.43 C=CCCCCCCCNCCCOCC(C)C 34a_100000205972_100012355270 [0,1,1,0,0,0|2,0,0]=4 5815 B17R0.43 C=CCCCCCCCOCCCCCC(C)C 34a_100000730831_100000210682 [0,1,1,0,0,0|1,0,0]=3 5816 B17R0.43 C=CCCCCCCCOCCCCCC(C)C 34a_100011995859_100012355270 [0,1,1,0,0,0|1,0,0]=3 5817 B17R0.43 C=CCCCCCCCOCCCCCC(C)C 7a_100000730831_100000210682 [0,1,1,0,0,0|1,0,0]=3 5818 B17R0.43 C=CCCCCCCCOCCCCCC(C)C 7a_100011995859_100012355270 [0,1,1,0,0,0|1,0,0]=3 5819 B17R0.43 C=CCCCCCCCOCCCCNC(C)C 34a_100011521146_100012355270 [0,1,1,0,0,0|2,0,0]=4 5820 B17R0.43 C=CCCCCCCNCCCCCCC(C)C 2230a_100000211014_100011215473 [0,1,1,0,0,0|1,0,0]=3 5821 B17R0.43 C=CCCCCCCNCCCCCCC(C)C 34a_100000211014_100011215473 [0,1,1,0,0,0|1,0,0]=3 5822 B17R0.43 C=CCCCCCCOCCCCCNC(C)C 34a_100011629493_100011215473 [0,1,1,0,0,0|2,0,0]=4 5823 B17R0.43 C=CCCCCCOCCCCCCCC(C)C 34a_200000210741_100000700193 [0,1,1,0,0,0|1,0,0]=3 5824 B17R0.43 C=CCCCCCOCCCCCCCC(C)C 7a_200000210741_100000700193 [0,1,1,0,0,0|1,0,0]=3 5825 B17R0.43 CC(=O)CCCCCCCCCCCCCCO 1458a_100000070787_100009828009 [0,1,1,0,0,0|0,0,0]=2 5826 B17R0.43 CC(=O)CCCCNCCCCCCCCCO 34a_100000078944_100009817362 [0,1,1,0,0,0|1,0,0]=3 5827 B17R0.43 CC(=O)CCCCOCCCCCCCCCBr 34a_100009813782_100009817362 [0,1,1,0,0,0|1,0,0]=3 5828 B17R0.43 CC(=O)CCCCOCCCCCCCCCBr 7a_100009813782_100000735457 [0,1,1,0,0,0|1,0,0]=3 5829 B17R0.43 CC(=O)CCCCOCCCCCCCCCCl 34a_100009868337_100009817362 [0,1,1,0,0,0|1,0,0]=3 5830 B17R0.43 CC(=O)CCCCOCCCCCCCCCCl 7a_100009868337_100000735457 [0,1,1,0,0,0|1,0,0]=3 5831 B17R0.43 CC(=O)CCCCOCCCCCCCCCN 34a_100000078944_100009817362 [0,1,1,0,0,0|1,0,0]=3 5832 B17R0.43 CC(=O)CCCCSCCCCCCCCCO 62a_100000735457_100009813782 [0,1,1,0,0,0|1,0,0]=3 5833 B17R0.43 CC(=O)CCCCSCCCCCCCCCO 62a_100009813782_100000735457 [0,1,1,0,0,0|1,0,0]=3 5834 B17R0.43 CC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000685027 [0,1,1,0,0,0|1,0,0]=3 5835 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000685027 [0,1,1,0,0,0|1,0,0]=3 5836 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100011215641 [0,1,1,0,0,0|1,0,0]=3 5837 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000685027 [0,1,1,0,0,0|1,0,0]=3 5838 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100011215641 [0,1,1,0,0,0|1,0,0]=3 5839 B17R0.43 CC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000685027 [0,1,1,0,0,0|1,0,0]=3 5840 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 34a_100000759063_100009813290 [0,1,1,0,0,0|1,0,0]=3 5841 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 7a_100000759063_100009813290 [0,1,1,0,0,0|1,0,0]=3 5842 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100011215641 [0,1,1,0,0,0|1,0,0]=3 5843 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100011215641_200000033068 [0,1,1,0,0,0|1,0,0]=3 5844 B17R0.43 CC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000053229 [0,1,1,0,0,0|1,0,0]=3 5845 B17R0.43 CC(=O)CCOCCCCCCCCCCCO 34a_100000759926_100009812471 [0,1,1,0,0,0|1,0,0]=3 5846 B17R0.43 CC(=O)CCOCCCCCCCCCCCO 7a_100000759926_100009812471 [0,1,1,0,0,0|1,0,0]=3 5847 B17R0.43 CC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000053229 [0,1,1,0,0,0|1,0,0]=3 5848 B17R0.43 CC(=O)COCCCCCCCCCCCCO 34a_100000211253_100009813331 [0,1,1,0,0,0|1,0,0]=3 5849 B17R0.43 CC(=O)COCCCCCCOCCCCCO 34a_100000211253_200132310570 [0,1,1,0,0,0|2,0,0]=4 5850 B17R0.43 CC(=O)NCCCCCCNCCCCCCF 2230a_200011996284_100015922095 [0,1,1,0,0,0|2,0,0]=4 5851 B17R0.43 CC(=O)NCCCCCCNCCCCCCF 34a_200011996284_100015922095 [0,1,1,0,0,0|2,0,0]=4 5852 B17R0.43 CC(=O)NCCCCCCNCCCCCCO 2230a_200011996284_100000766143 [0,1,1,0,0,0|2,0,0]=4 5853 B17R0.43 CC(=O)NCCCCCCNCCCCCCO 34a_200011996284_100000766143 [0,1,1,0,0,0|2,0,0]=4 5854 B17R0.43 CC(=O)NCCCCCNCCCCCCCO 2230a_200012022750_100000760002 [0,1,1,0,0,0|2,0,0]=4 5855 B17R0.43 CC(=O)NCCCCCNCCCCCCCO 34a_200012022750_100000760002 [0,1,1,0,0,0|2,0,0]=4 5856 B17R0.43 CC(=O)NCCCCNCCCCCCCCO 2230a_200011368371_100000033203 [0,1,1,0,0,0|2,0,0]=4 5857 B17R0.43 CC(=O)NCCCCNCCCCCCCCO 34a_200011368371_100000033203 [0,1,1,0,0,0|2,0,0]=4 5858 B17R0.43 CC(=O)NCCCNCCCCCCCCCO 34a_100000736810_100009813782 [0,1,1,0,0,0|2,0,0]=4 5859 B17R0.43 CC(=O)NCCCOCCCCCCCCCO 34a_100000752032_100009813782 [0,1,1,0,0,0|2,0,0]=4 5860 B17R0.43 CC(=O)NCCNCCCCCCCCCCO 2230a_100000066964_100000189650 [0,1,1,0,0,0|2,0,0]=4 5861 B17R0.43 CC(=O)NCCNCCCCCCCCCCO 2230a_100000209853_100009813290 [0,1,1,0,0,0|2,0,0]=4 5862 B17R0.43 CC(=O)NCCOCCCCCCCCCCBr 7a_100009813290_100000189650 [0,1,1,0,0,0|2,0,0]=4 5863 B17R0.43 CC(=O)NCCOCCCCCCCCCCCl 7a_200000033068_100000189650 [0,1,1,0,0,0|2,0,0]=4 5864 B17R0.43 CC(=O)NCCOCCCCCCCCCCO 34a_100000158858_100009813290 [0,1,1,0,0,0|2,0,0]=4 5865 B17R0.43 CC(=O)NCCSCCCCCCCCCCO 62a_100000189650_200000033068 [0,1,1,0,0,0|2,0,0]=4 5866 B17R0.43 CC(=O)NCCSCCCCCCCCCCO 62a_100009813290_100000189650 [0,1,1,0,0,0|2,0,0]=4 5867 B17R0.43 CC(=O)OCCCCCNCCCCCCCO 2230a_100011996573_100009813381 [0,1,1,0,0,0|2,0,0]=4 5868 B17R0.43 CC(=O)OCCCCCNCCCCCCCO 34a_100011996573_100000033007 [0,1,1,0,0,0|2,0,0]=4 5869 B17R0.43 CC(=O)OCCCCCOCCCCCCCBr 34a_100000760002_100000033007 [0,1,1,0,0,0|2,0,0]=4 5870 B17R0.43 CC(=O)OCCCCCOCCCCCCCBr 7a_100000760002_100000033007 [0,1,1,0,0,0|2,0,0]=4 5871 B17R0.43 CC(=O)OCCCCCOCCCCCCCN 34a_100011996573_100000033007 [0,1,1,0,0,0|2,0,0]=4 5872 B17R0.43 CC(=O)OCCCCCSCCCCCCCO 62a_100000033007_100000760002 [0,1,1,0,0,0|2,0,0]=4 5873 B17R0.43 CC(=O)OCCCCCSCCCCCCCO 62a_100000760002_100000033007 [0,1,1,0,0,0|2,0,0]=4 5874 B17R0.43 CC(=O)OCCCCNCCCCCCCCO 34a_102515433106_100000033659 [0,1,1,0,0,0|2,0,0]=4 5875 B17R0.43 CC(=O)OCCCCOCCCCCCCCBr 34a_100009813846_100000033659 [0,1,1,0,0,0|2,0,0]=4 5876 B17R0.43 CC(=O)OCCCCOCCCCCCCCBr 7a_100009813846_100000033659 [0,1,1,0,0,0|2,0,0]=4 5877 B17R0.43 CC(=O)OCCCCOCCCCCCCCCl 34a_100000033203_100000033659 [0,1,1,0,0,0|2,0,0]=4 5878 B17R0.43 CC(=O)OCCCCOCCCCCCCCCl 7a_100000033203_100000033659 [0,1,1,0,0,0|2,0,0]=4 5879 B17R0.43 CC(=O)OCCCCOCCCCCCCCN 34a_102515433106_100000033659 [0,1,1,0,0,0|2,0,0]=4 5880 B17R0.43 CC(=O)OCCCCOCCCCCCCCO 34a_100000073216_100000033203 [0,1,1,0,0,0|2,0,0]=4 5881 B17R0.43 CC(=O)OCCCCOCCCCCCCCO 7a_100000073216_100000033203 [0,1,1,0,0,0|2,0,0]=4 5882 B17R0.43 CC(=O)OCCCCSCCCCCCCCO 62a_100000033203_100000033659 [0,1,1,0,0,0|2,0,0]=4 5883 B17R0.43 CC(=O)OCCCCSCCCCCCCCO 62a_100000033659_100000033203 [0,1,1,0,0,0|2,0,0]=4 5884 B17R0.43 CC(=O)OCCCNCCCCCCCCCO 34a_100000078944_100000042594 [0,1,1,0,0,0|2,0,0]=4 5885 B17R0.43 CC(=O)OCCCOCCCCCCCCCBr 34a_100009813782_100000042594 [0,1,1,0,0,0|2,0,0]=4 5886 B17R0.43 CC(=O)OCCCOCCCCCCCCCBr 7a_100009813782_100000042594 [0,1,1,0,0,0|2,0,0]=4 5887 B17R0.43 CC(=O)OCCCOCCCCCCCCCCl 34a_100009868337_100000042594 [0,1,1,0,0,0|2,0,0]=4 5888 B17R0.43 CC(=O)OCCCOCCCCCCCCCCl 7a_100009868337_100000042594 [0,1,1,0,0,0|2,0,0]=4 5889 B17R0.43 CC(=O)OCCCOCCCCCCCCCN 34a_100000078944_100000042594 [0,1,1,0,0,0|2,0,0]=4 5890 B17R0.43 CC(=O)OCCCSCCCCCCCCCO 62a_100000042594_100009813782 [0,1,1,0,0,0|2,0,0]=4 5891 B17R0.43 CC(=O)OCCCSCCCCCCCCCO 62a_100009813782_100000042594 [0,1,1,0,0,0|2,0,0]=4 5892 B17R0.43 CC(=O)OCCNCCCCCCCCCCO 34a_100000066964_100009814007 [0,1,1,0,0,0|2,0,0]=4 5893 B17R0.43 CC(=O)OCCOCCCCCCCCCCBr 34a_100009813290_100009814007 [0,1,1,0,0,0|2,0,0]=4 5894 B17R0.43 CC(=O)OCCOCCCCCCCCCCBr 7a_100009813290_100009814007 [0,1,1,0,0,0|2,0,0]=4 5895 B17R0.43 CC(=O)OCCOCCCCCCCCCCCl 34a_200000033068_100009814007 [0,1,1,0,0,0|2,0,0]=4 5896 B17R0.43 CC(=O)OCCOCCCCCCCCCCCl 7a_200000033068_100009814007 [0,1,1,0,0,0|2,0,0]=4 5897 B17R0.43 CC(=O)OCCOCCCCCCCCCCN 34a_100000066964_100009814007 [0,1,1,0,0,0|2,0,0]=4 5898 B17R0.43 CC(=O)OCCSCCCCCCCCCCO 62a_100009813290_100009814007 [0,1,1,0,0,0|2,0,0]=4 5899 B17R0.43 CC(=O)OCCSCCCCCCCCCCO 62a_100009814007_200000033068 [0,1,1,0,0,0|2,0,0]=4 5900 B17R0.43 CC(=O)OCOCCCCCCCCCCCBr 34a_100009812471_100009813279 [0,1,1,0,0,0|2,0,0]=4 5901 B17R0.43 CC(=O)OCSCCCCCCCCCCCO 62a_100009812471_100000076356 [0,1,1,0,0,0|2,0,0]=4 5902 B17R0.43 CC(=O)SCCCCCCCCCCCSCF 62a_100010140907_100015361967 [0,1,1,0,0,0|2,0,0]=4 5903 B17R0.43 CC(=O)SCCCCCCCCCCCSCF 62a_100015361967_100010140907 [0,1,1,0,0,0|2,0,0]=4 5904 B17R0.43 CC(=O)SCCCCNCCCCCCCCO 2230a_102515433106_200010402107 [0,1,1,0,0,0|2,0,0]=4 5905 B17R0.43 CC(=O)SCCCCNCCCCCCCCO 34a_102515433106_200010402107 [0,1,1,0,0,0|2,0,0]=4 5906 B17R0.43 CC(=O)SCCCCOCCCCCCCCBr 34a_100009813846_200010402107 [0,1,1,0,0,0|2,0,0]=4 5907 B17R0.43 CC(=O)SCCCCOCCCCCCCCBr 7a_100009813846_200010402107 [0,1,1,0,0,0|2,0,0]=4 5908 B17R0.43 CC(=O)SCCCCOCCCCCCCCCl 34a_100000033203_200010402107 [0,1,1,0,0,0|2,0,0]=4 5909 B17R0.43 CC(=O)SCCCCOCCCCCCCCCl 7a_100000033203_200010402107 [0,1,1,0,0,0|2,0,0]=4 5910 B17R0.43 CC(=O)SCCCCOCCCCCCCCN 34a_102515433106_200010402107 [0,1,1,0,0,0|2,0,0]=4 5911 B17R0.43 CC(=O)SCCCCSCCCCCCCCO 62a_100000033203_200010402107 [0,1,1,0,0,0|2,0,0]=4 5912 B17R0.43 CC(=O)SCCCCSCCCCCCCCO 62a_200010402107_100000033203 [0,1,1,0,0,0|2,0,0]=4 5913 B17R0.43 CC(=O)SCCCNCCCCCCCCCO 2230a_100000078944_100000038929 [0,1,1,0,0,0|2,0,0]=4 5914 B17R0.43 CC(=O)SCCCNCCCCCCCCCO 34a_100000078944_100000038929 [0,1,1,0,0,0|2,0,0]=4 5915 B17R0.43 CC(=O)SCCCOCCCCCCCCCBr 34a_100009813782_100000038929 [0,1,1,0,0,0|2,0,0]=4 5916 B17R0.43 CC(=O)SCCCOCCCCCCCCCBr 7a_100009813782_100000038929 [0,1,1,0,0,0|2,0,0]=4 5917 B17R0.43 CC(=O)SCCCOCCCCCCCCCCl 34a_100009868337_100000038929 [0,1,1,0,0,0|2,0,0]=4 5918 B17R0.43 CC(=O)SCCCOCCCCCCCCCCl 7a_100009868337_100000038929 [0,1,1,0,0,0|2,0,0]=4 5919 B17R0.43 CC(=O)SCCCOCCCCCCCCCN 34a_100000078944_100000038929 [0,1,1,0,0,0|2,0,0]=4 5920 B17R0.43 CC(=O)SCCCSCCCCCCCCCO 62a_100000038929_100009813782 [0,1,1,0,0,0|2,0,0]=4 5921 B17R0.43 CC(=O)SCCCSCCCCCCCCCO 62a_100009813782_100000038929 [0,1,1,0,0,0|2,0,0]=4 5922 B17R0.43 CC(C)CCCCCCCOCCCCCC#N 7a_200000210741_100009813376 [0,1,1,0,0,0|1,0,1]=4 5923 B17R0.43 CC(C)CCCCCCCOCCCCCC=O 7a_200000210741_100000139337 [0,1,1,0,0,0|0,0,0]=2 5924 B17R0.43 CC(C)CCCCCCCOCCCCCCF 34a_200000210741_100015922095 [0,1,1,0,0,0|1,0,1]=4 5925 B17R0.43 CC(C)CCCCCCCOCCCCCCF 7a_200000210741_100015922095 [0,1,1,0,0,0|1,0,1]=4 5926 B17R0.43 CC(C)CCCCCCCOCCCCCCO 34a_200000210741_100000766143 [0,1,1,0,0,0|0,0,2]=4 5927 B17R0.43 CC(C)CCCCCCCOCCCCCCO 7a_200000210741_100000766143 [0,1,1,0,0,0|0,0,2]=4 5928 B17R0.43 CC(C)CCCCCCNCCCCCCC#N 2230a_100000211014_100009813337 [0,1,1,0,0,0|1,0,1]=4 5929 B17R0.43 CC(C)CCCCCCNCCCCCCCO 2230a_100000211014_100000760002 [0,1,1,0,0,0|0,0,2]=4 5930 B17R0.43 CC(C)CCCCCCNCCCCCCCO 34a_100000211014_100000760002 [0,1,1,0,0,0|0,0,2]=4 5931 B17R0.43 CC(C)CCCCCNCCCCCCCCO 2230a_100011290863_100000033203 [0,1,1,0,0,0|0,0,2]=4 5932 B17R0.43 CC(C)CCCCCNCCCCCCCCO 2230a_102515433106_100000210682 [0,1,1,0,0,0|0,0,2]=4 5933 B17R0.43 CC(C)CCCCCNCCCCCCCCO 34a_100011290863_100000033203 [0,1,1,0,0,0|0,0,2]=4 5934 B17R0.43 CC(C)CCCCCNCCCCCCCCO 34a_102515433106_100000210682 [0,1,1,0,0,0|0,0,2]=4 5935 B17R0.43 CC(C)CCCCCOCCCCCCCCBr 34a_100009813846_100000210682 [0,1,1,0,0,0|1,0,1]=4 5936 B17R0.43 CC(C)CCCCCOCCCCCCCCBr 7a_100009813846_100000210682 [0,1,1,0,0,0|1,0,1]=4 5937 B17R0.43 CC(C)CCCCCOCCCCCCCCCl 34a_100000033203_100000210682 [0,1,1,0,0,0|1,0,1]=4 5938 B17R0.43 CC(C)CCCCCOCCCCCCCCCl 7a_100000033203_100000210682 [0,1,1,0,0,0|1,0,1]=4 5939 B17R0.43 CC(C)CCCCCOCCCCCCCCN 34a_102515433106_100000210682 [0,1,1,0,0,0|1,0,1]=4 5940 B17R0.43 CC(C)CCCCCOCCCCCCCCO 34a_100011995859_100000033203 [0,1,1,0,0,0|0,0,2]=4 5941 B17R0.43 CC(C)CCCCCOCCCCCCCCO 7a_100011995859_100000033203 [0,1,1,0,0,0|0,0,2]=4 5942 B17R0.43 CC(C)CCCCCSCCCCCCCCO 62a_100000033203_100000210682 [0,1,1,0,0,0|0,0,2]=4 5943 B17R0.43 CC(C)CCCCCSCCCCCCCCO 62a_100000210682_100000033203 [0,1,1,0,0,0|0,0,2]=4 5944 B17R0.43 CC(C)CCCCNCCCCCCCCCO 2230a_100000078944_100011216152 [0,1,1,0,0,0|0,0,2]=4 5945 B17R0.43 CC(C)CCCCNCCCCCCCCCO 34a_100000078944_100011216152 [0,1,1,0,0,0|0,0,2]=4 5946 B17R0.43 CC(C)CCCCOCCCCCCCCCBr 34a_100009813782_100011216152 [0,1,1,0,0,0|1,0,1]=4 5947 B17R0.43 CC(C)CCCCOCCCCCCCCCBr 7a_100009813782_100011216152 [0,1,1,0,0,0|1,0,1]=4 5948 B17R0.43 CC(C)CCCCOCCCCCCCCCCl 34a_100009868337_100011216152 [0,1,1,0,0,0|1,0,1]=4 5949 B17R0.43 CC(C)CCCCOCCCCCCCCCCl 7a_100009868337_100011216152 [0,1,1,0,0,0|1,0,1]=4 5950 B17R0.43 CC(C)CCCCOCCCCCCCCCN 34a_100000078944_100011216152 [0,1,1,0,0,0|1,0,1]=4 5951 B17R0.43 CC(C)CCCCOCCCCCCCCCO 34a_100011214890_100009813782 [0,1,1,0,0,0|0,0,2]=4 5952 B17R0.43 CC(C)CCCCOCCCCCCCCCO 7a_100011214890_100009813782 [0,1,1,0,0,0|0,0,2]=4 5953 B17R0.43 CC(C)CCCCSCCCCCCCCCO 62a_100009813782_100011216152 [0,1,1,0,0,0|0,0,2]=4 5954 B17R0.43 CC(C)CCCCSCCCCCCCCCO 62a_100011216152_100009813782 [0,1,1,0,0,0|0,0,2]=4 5955 B17R0.43 CC(C)CCCNCCCCCCCCCCO 2230a_100000066964_100011214892 [0,1,1,0,0,0|0,0,2]=4 5956 B17R0.43 CC(C)CCCNCCCCCCCCCCO 2230a_200000737386_100009813290 [0,1,1,0,0,0|0,0,2]=4 5957 B17R0.43 CC(C)CCCNCCCCCCCCCCO 34a_100000066964_100011214892 [0,1,1,0,0,0|0,0,2]=4 5958 B17R0.43 CC(C)CCCNCCCCCCCCCCO 34a_200000737386_100009813290 [0,1,1,0,0,0|0,0,2]=4 5959 B17R0.43 CC(C)CCCOCCCCCCCCCCBr 34a_100009813290_100011214892 [0,1,1,0,0,0|1,0,1]=4 5960 B17R0.43 CC(C)CCCOCCCCCCCCCCBr 7a_100009813290_100011214892 [0,1,1,0,0,0|1,0,1]=4 5961 B17R0.43 CC(C)CCCOCCCCCCCCCCCl 34a_200000033068_100011214892 [0,1,1,0,0,0|1,0,1]=4 5962 B17R0.43 CC(C)CCCOCCCCCCCCCCCl 7a_200000033068_100011214892 [0,1,1,0,0,0|1,0,1]=4 5963 B17R0.43 CC(C)CCCOCCCCCCCCCCN 34a_100000066964_100011214892 [0,1,1,0,0,0|1,0,1]=4 5964 B17R0.43 CC(C)CCCOCCCCCCCCCCO 34a_100000210774_100009813290 [0,1,1,0,0,0|0,0,2]=4 5965 B17R0.43 CC(C)CCCOCCCCCCCCCCO 7a_100000210774_100009813290 [0,1,1,0,0,0|0,0,2]=4 5966 B17R0.43 CC(C)CCCSCCCCCCCCCCO 62a_100009813290_100011214892 [0,1,1,0,0,0|0,0,2]=4 5967 B17R0.43 CC(C)CCCSCCCCCCCCCCO 62a_100011214892_200000033068 [0,1,1,0,0,0|0,0,2]=4 5968 B17R0.43 CC(C)CCOCCCCCCCCCCCBr 34a_100009812471_100000210312 [0,1,1,0,0,0|1,0,1]=4 5969 B17R0.43 CC(C)CCOCCCCCCCCCCCBr 7a_100009812471_100000210626 [0,1,1,0,0,0|1,0,1]=4 5970 B17R0.43 CC(C)CCOCCCCCCCCCCCO 34a_100000210254_100009812471 [0,1,1,0,0,0|0,0,2]=4 5971 B17R0.43 CC(C)CCOCCCCCCCCCCCO 7a_100000210254_100009812471 [0,1,1,0,0,0|0,0,2]=4 5972 B17R0.43 CC(C)CCSCCCCCCCCCCCO 62a_100009812471_100000210312 [0,1,1,0,0,0|0,0,2]=4 5973 B17R0.43 CC(C)CNCCCCCCCCCCCCO 2230a_100000066677_100000210760 [0,1,1,0,0,0|0,0,2]=4 5974 B17R0.43 CC(C)CNCCCCCCCCCCCCO 2230a_100000210953_100009813331 [0,1,1,0,0,0|0,0,2]=4 5975 B17R0.43 CC(C)CNCCCCCCCCCCCCO 270004a_100000066677_100000210432 [0,1,1,0,0,0|0,0,2]=4 5976 B17R0.43 CC(C)CNCCCCCCCCCCCCO 34a_100000066677_100000210624 [0,1,1,0,0,0|0,0,2]=4 5977 B17R0.43 CC(C)CNCCCCCCCCCCCCO 34a_100000210953_100009813331 [0,1,1,0,0,0|0,0,2]=4 5978 B17R0.43 CC(C)COCCCCCCCCCCCCBr 34a_100009813331_100000210624 [0,1,1,0,0,0|1,0,1]=4 5979 B17R0.43 CC(C)COCCCCCCCCCCCCBr 7a_100009813331_100000210760 [0,1,1,0,0,0|1,0,1]=4 5980 B17R0.43 CC(C)COCCCCCCCCCCCCN 34a_100000066677_100000210624 [0,1,1,0,0,0|1,0,1]=4 5981 B17R0.43 CC(C)COCCCCCCCCCCCCO 34a_100000210257_100009813331 [0,1,1,0,0,0|0,0,2]=4 5982 B17R0.43 CC(C)CSCCCCCCCCCCCCO 62a_100009813331_100000210760 [0,1,1,0,0,0|0,0,2]=4 5983 B17R0.43 CC(C)NCCCCCCCCCCCCCO 2230a_100138425928_100009812470 [0,1,1,0,0,0|0,0,2]=4 5984 B17R0.43 CC(C)NCCCCCCCCCCCCCO 34a_100138425928_100009812470 [0,1,1,0,0,0|0,0,2]=4 5985 B17R0.43 CC(C)OCCCCCCCCCCCCCO 34a_100000212225_100009812470 [0,1,1,0,0,0|0,0,2]=4 5986 B17R0.43 CC(C)SCCCCCCCCCCCCCO 62a_100009812470_100000210206 [0,1,1,0,0,0|0,0,2]=4 5987 B17R0.43 CCC#CCCCCCCCCOCCC(=O)C 7a_200000031908_100000053229 [0,1,1,0,0,0|0,0,2]=4 5988 B17R0.43 CCC#CCCCCCCSCCCCC(=O)C 62a_100000735457_200000036426 [0,1,1,0,0,0|0,0,2]=4 5989 B17R0.43 CCC#CCCCCCCSCCCCC(=O)C 62a_200000036426_100000735457 [0,1,1,0,0,0|0,0,2]=4 5990 B17R0.43 CCCC/C=C/CCCCOCCCCC(=O)C 34a_200020645093_100009817362 [0,1,1,0,0,0|0,0,2]=4 5991 B17R0.43 CCCC/C=C/CCCCOCCCCC(=O)C 7a_200020645093_100000735457 [0,1,1,0,0,0|0,0,2]=4 5992 B17R0.43 CCCCC#CCCCCCCOCCC(=O)C 34a_100000759926_200000043322 [0,1,1,0,0,0|0,0,2]=4 5993 B17R0.43 CCCCC#CCCCCCCOCCC(=O)C 7a_100000759926_200000043322 [0,1,1,0,0,0|0,0,2]=4 5994 B17R0.43 CCCCC#CCCCCCCSCCC(=O)C 62a_100000053229_200000043322 [0,1,1,0,0,0|0,0,2]=4 5995 B17R0.43 CCCCC#CCCCCCCSCCC(=O)C 62a_200000043322_100000053229 [0,1,1,0,0,0|0,0,2]=4 5996 B17R0.43 CCCCC#CCCCCOCCCCC(=O)C 34a_200000066234_100009817362 [0,1,1,0,0,0|0,0,2]=4 5997 B17R0.43 CCCCC#CCCCCOCCCCC(=O)C 7a_200000066234_100000735457 [0,1,1,0,0,0|0,0,2]=4 5998 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 34a_100020655193_100009817362 [0,1,1,0,0,0|0,0,2]=4 5999 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 7a_100020655193_100000735457 [0,1,1,0,0,0|0,0,2]=4 6000 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)C 1458a_100020587579_200000210301 [0,1,1,0,0,0|0,0,1]=3 6001 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)[13CH3] 1458a_100020587579_200025704644 [0,1,1,0,0,0|0,0,1]=3 6002 B17R0.43 CCCCCCC#CCCOCCCCC(=O)C 34a_200000033163_100009817362 [0,1,1,0,0,0|0,0,2]=4 6003 B17R0.43 CCCCCCC#CCCOCCCCC(=O)C 7a_200000033163_100000735457 [0,1,1,0,0,0|0,0,2]=4 6004 B17R0.43 CCCCCCCC#CCOCCCCC(=O)C 34a_200000061759_100009817362 [0,1,1,0,0,0|0,0,2]=4 6005 B17R0.43 CCCCCCCC#CCOCCCCC(=O)C 7a_200000061759_100000735457 [0,1,1,0,0,0|0,0,2]=4 6006 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 34a_200020667288_100000685027 [0,1,1,0,0,0|0,0,2]=4 6007 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 7a_200020667288_100011215641 [0,1,1,0,0,0|0,0,2]=4 6008 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)C 7a_100015232335_100000053229 [0,1,1,0,0,0|0,0,2]=4 6009 B17R0.43 CCCCCCCCCCCCC=NNC(=O)C 4a_100000189765_200011215488 [0,1,1,0,0,0|1,0,1]=4 6010 B17R0.43 CCCCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210322 [0,1,1,0,0,0|2,0,0]=4 6011 B17R0.43 CCCCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210322 [0,1,1,0,0,0|2,0,0]=4 6012 B17R0.43 CCCCCCCCCCCCCCCN(C)C 270004a_100102631434_100012088177 [0,1,1,0,0,0|2,0,0]=4 6013 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 11a_100011217771_100015343762 [0,1,1,0,0,0|0,0,0]=2 6014 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 1626a_100011217771_100015343762 [0,1,1,0,0,0|0,0,0]=2 6015 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 240690a_100011217771_100015343762 [0,1,1,0,0,0|0,0,0]=2 6016 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 527a_100011217771_100103153847 [0,1,1,0,0,0|0,0,0]=2 6017 B17R0.43 CCCCCCCCCCCCCCNC(C)C 2230a_100011217771_100000210206 [0,1,1,0,0,0|1,0,1]=4 6018 B17R0.43 CCCCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215471 [0,1,1,0,0,0|1,0,1]=4 6019 B17R0.43 CCCCCCCCCCCCCCNC(C)C 34a_100011217771_100000210206 [0,1,1,0,0,0|1,0,1]=4 6020 B17R0.43 CCCCCCCCCCCCCCNC(C)C 34a_100138425928_100011215471 [0,1,1,0,0,0|1,0,1]=4 6021 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210684 [0,1,1,0,0,0|1,0,0]=3 6022 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100011215765_100000747473 [0,1,1,0,0,0|1,0,0]=3 6023 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 34a_100011215765_100000187820 [0,1,1,0,0,0|1,0,0]=3 6024 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [0,1,1,0,0,0|1,0,0]=3 6025 B17R0.43 CCCCCCCCCCCCCNCC(=O)[O-] 34a_100011215765_100020667443 [0,1,1,0,0,0|1,0,0]=3 6026 B17R0.43 CCCCCCCCCCCCCNCC(C)C 2230a_100000210953_100000210684 [0,1,1,0,0,0|1,0,1]=4 6027 B17R0.43 CCCCCCCCCCCCCNCC(C)C 2230a_100011215765_100000210760 [0,1,1,0,0,0|1,0,1]=4 6028 B17R0.43 CCCCCCCCCCCCCNCC(C)C 270004a_100000210953_200011215488 [0,1,1,0,0,0|1,0,1]=4 6029 B17R0.43 CCCCCCCCCCCCCNCC(C)C 270004a_100011215765_100000210432 [0,1,1,0,0,0|1,0,1]=4 6030 B17R0.43 CCCCCCCCCCCCCNCC(C)C 34a_100000210953_100000210684 [0,1,1,0,0,0|1,0,1]=4 6031 B17R0.43 CCCCCCCCCCCCCNCC(C)C 34a_100011215765_100000210624 [0,1,1,0,0,0|1,0,1]=4 6032 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100000210904_100000210684 [0,1,1,0,0,0|0,0,2]=4 6033 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100011215765_100011218427 [0,1,1,0,0,0|0,0,2]=4 6034 B17R0.43 CCCCCCCCCCCCCNCC(C)O 270004a_100000210904_200011215488 [0,1,1,0,0,0|0,0,2]=4 6035 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100000210904_100000210684 [0,1,1,0,0,0|0,0,2]=4 6036 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100011215765_100011218427 [0,1,1,0,0,0|0,0,2]=4 6037 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 2230a_100011215765_100009817552 [0,1,1,0,0,0|0,0,2]=4 6038 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 34a_100011215765_100009817552 [0,1,1,0,0,0|0,0,2]=4 6039 B17R0.43 CCCCCCCCCCCCCNC[N+](=O)[O-] 34a_100011215765_100000761209 [0,1,1,0,0,0|2,0,0]=4 6040 B17R0.43 CCCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000210684 [0,1,1,0,0,0|0,0,0]=2 6041 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 34a_100000185773_100000187820 [0,1,1,0,0,0|1,0,0]=3 6042 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 7a_100000185773_100000187820 [0,1,1,0,0,0|1,0,0]=3 6043 B17R0.43 CCCCCCCCCCCCCOCC(=O)[O-] 34a_100000185773_100020667443 [0,1,1,0,0,0|1,0,0]=3 6044 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000185773_100000210624 [0,1,1,0,0,0|1,0,1]=4 6045 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000210257_100000210684 [0,1,1,0,0,0|1,0,1]=4 6046 B17R0.43 CCCCCCCCCCCCCOCC(C)C 7a_100000185773_100000210760 [0,1,1,0,0,0|1,0,1]=4 6047 B17R0.43 CCCCCCCCCCCCCOCC(C)F 34a_100015925927_100000210684 [0,1,1,0,0,0|1,0,1]=4 6048 B17R0.43 CCCCCCCCCCCCCOCC(C)O 34a_100000185773_100011218427 [0,1,1,0,0,0|0,0,2]=4 6049 B17R0.43 CCCCCCCCCCCCCOCC(C)O 7a_100000185773_100011218427 [0,1,1,0,0,0|0,0,2]=4 6050 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210684 [0,1,1,0,0,0|1,0,1]=4 6051 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210684 [0,1,1,0,0,0|1,0,1]=4 6052 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 34a_100000185773_100009817552 [0,1,1,0,0,0|0,0,2]=4 6053 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 7a_100000185773_100009817552 [0,1,1,0,0,0|0,0,2]=4 6054 B17R0.43 CCCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000185773_100000761209 [0,1,1,0,0,0|2,0,0]=4 6055 B17R0.43 CCCCCCCCCCCCCSCC(=O)N 62a_100000747473_100011934334 [0,1,1,0,0,0|1,0,0]=3 6056 B17R0.43 CCCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011934334 [0,1,1,0,0,0|1,0,0]=3 6057 B17R0.43 CCCCCCCCCCCCCSCC(C)O 62a_100011218427_100011934334 [0,1,1,0,0,0|0,0,2]=4 6058 B17R0.43 CCCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011934334 [0,1,1,0,0,0|0,0,2]=4 6059 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 2230a_100000210451_100000761012 [0,1,1,0,0,0|1,0,1]=4 6060 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 270004a_100000718196_100011218549 [0,1,1,0,0,0|1,0,1]=4 6061 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 34a_100000210451_100000761012 [0,1,1,0,0,0|1,0,1]=4 6062 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 34a_100000718196_100000759014 [0,1,1,0,0,0|1,0,1]=4 6063 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 2230a_100000210451_100000744528 [0,1,1,0,0,0|1,0,0]=3 6064 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 34a_100000210451_100000731001 [0,1,1,0,0,0|1,0,0]=3 6065 B17R0.43 CCCCCCCCCCCCNCCC(C)C 2230a_100000210451_100000210312 [0,1,1,0,0,0|1,0,1]=4 6066 B17R0.43 CCCCCCCCCCCCNCCC(C)C 269862a_100000210451_100000185833 [0,1,1,0,0,0|1,0,1]=4 6067 B17R0.43 CCCCCCCCCCCCNCCC(C)C 270004a_100000210545_100011218549 [0,1,1,0,0,0|1,0,1]=4 6068 B17R0.43 CCCCCCCCCCCCNCCC(C)C 34a_100000210451_100000210312 [0,1,1,0,0,0|1,0,1]=4 6069 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_100000210451_100012276601 [0,1,1,0,0,0|0,0,2]=4 6070 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215052 [0,1,1,0,0,0|0,0,2]=4 6071 B17R0.43 CCCCCCCCCCCCNCCC(C)O 270004a_200000755665_100011218549 [0,1,1,0,0,0|0,0,2]=4 6072 B17R0.43 CCCCCCCCCCCCNCCC(C)O 34a_100000210451_100012276601 [0,1,1,0,0,0|0,0,2]=4 6073 B17R0.43 CCCCCCCCCCCCNCCN(C)C 270004a_100000210585_100011218549 [0,1,1,0,0,0|2,0,0]=4 6074 B17R0.43 CCCCCCCCCCCCNCOC(=O)C 34a_100000210451_100009813279 [0,1,1,0,0,0|1,0,0]=3 6075 B17R0.43 CCCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000759014 [0,1,1,0,0,0|2,0,0]=4 6076 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000210810_100000761012 [0,1,1,0,0,0|1,0,1]=4 6077 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000753907_100000759014 [0,1,1,0,0,0|1,0,1]=4 6078 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 7a_100000210810_100000761012 [0,1,1,0,0,0|1,0,1]=4 6079 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 34a_100000759926_100000759014 [0,1,1,0,0,0|0,0,0]=2 6080 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000210810_100000053229 [0,1,1,0,0,0|0,0,0]=2 6081 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000759926_100000759014 [0,1,1,0,0,0|0,0,0]=2 6082 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000210810_100000731001 [0,1,1,0,0,0|1,0,0]=3 6083 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000757172_100000759014 [0,1,1,0,0,0|1,0,0]=3 6084 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000210810_100000744528 [0,1,1,0,0,0|1,0,0]=3 6085 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000757172_100000759014 [0,1,1,0,0,0|1,0,0]=3 6086 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210254_100000759014 [0,1,1,0,0,0|1,0,1]=4 6087 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210810_100000210312 [0,1,1,0,0,0|1,0,1]=4 6088 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210254_100000759014 [0,1,1,0,0,0|1,0,1]=4 6089 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210810_100000210626 [0,1,1,0,0,0|1,0,1]=4 6090 B17R0.43 CCCCCCCCCCCCOCCC(C)O 34a_100000210810_100012276601 [0,1,1,0,0,0|0,0,2]=4 6091 B17R0.43 CCCCCCCCCCCCOCCC(C)O 7a_100000210810_100012276601 [0,1,1,0,0,0|0,0,2]=4 6092 B17R0.43 CCCCCCCCCCCCOCCN(C)C 7a_100000210810_100000755713 [0,1,1,0,0,0|2,0,0]=4 6093 B17R0.43 CCCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000759014 [0,1,1,0,0,0|1,0,1]=4 6094 B17R0.43 CCCCCCCCCCCCOCOC(=O)C 34a_100000210810_100009813279 [0,1,1,0,0,0|1,0,0]=3 6095 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 1458a_100008107568_200000210301 [0,1,1,0,0,0|0,0,0]=2 6096 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 62a_100000053229_100000759014 [0,1,1,0,0,0|0,0,0]=2 6097 B17R0.43 CCCCCCCCCCCCSCCC(=O)N 62a_100000744528_100000759014 [0,1,1,0,0,0|1,0,0]=3 6098 B17R0.43 CCCCCCCCCCCCSCCC(=O)[13CH3] 1458a_100008107568_200025704644 [0,1,1,0,0,0|0,0,0]=2 6099 B17R0.43 CCCCCCCCCCCCSCCC(C)O 62a_100012276601_100000759014 [0,1,1,0,0,0|0,0,2]=4 6100 B17R0.43 CCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100000759014 [0,1,1,0,0,0|1,0,0]=3 6101 B17R0.43 CCCCCCCCCCCNCCC=C(C)C 2230a_200011215754_100011217483 [0,1,1,0,0,0|1,0,1]=4 6102 B17R0.43 CCCCCCCCCCCNCCC=C(C)C 34a_200011215754_100011217483 [0,1,1,0,0,0|1,0,1]=4 6103 B17R0.43 CCCCCCCCCCCNCCCC(=O)C 34a_200011215754_100000685027 [0,1,1,0,0,0|0,0,0]=2 6104 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_100000739312_100011215454 [0,1,1,0,0,0|1,0,0]=3 6105 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_200011215754_100102525003 [0,1,1,0,0,0|1,0,0]=3 6106 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200000737386_100011215454 [0,1,1,0,0,0|1,0,1]=4 6107 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200011215754_100011214892 [0,1,1,0,0,0|1,0,1]=4 6108 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200000737386_100011215454 [0,1,1,0,0,0|1,0,1]=4 6109 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200011215754_100011214892 [0,1,1,0,0,0|1,0,1]=4 6110 B17R0.43 CCCCCCCCCCCNCCCC(C)O 2230a_200011215754_200000718107 [0,1,1,0,0,0|0,0,2]=4 6111 B17R0.43 CCCCCCCCCCCNCCCC(C)O 34a_200011215754_200000718107 [0,1,1,0,0,0|0,0,2]=4 6112 B17R0.43 CCCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011215454 [0,1,1,0,0,0|1,0,0]=3 6113 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011215454 [0,1,1,0,0,0|1,0,0]=3 6114 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_200011215754_100000189650 [0,1,1,0,0,0|1,0,0]=3 6115 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 2230a_200011215754_200000034859 [0,1,1,0,0,0|2,0,0]=4 6116 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 34a_100020590234_100011215454 [0,1,1,0,0,0|2,0,0]=4 6117 B17R0.43 CCCCCCCCCCCNCCOC(=O)C 34a_200011215754_100009814007 [0,1,1,0,0,0|1,0,0]=3 6118 B17R0.43 CCCCCCCCCCCNCCOC(=O)N 34a_200011215754_200011214921 [0,1,1,0,0,0|2,0,0]=4 6119 B17R0.43 CCCCCCCCCCCOCCC=C(C)C 34a_100000210809_100011217483 [0,1,1,0,0,0|1,0,1]=4 6120 B17R0.43 CCCCCCCCCCCOCCC=C(C)C 7a_100000210809_100011217483 [0,1,1,0,0,0|1,0,1]=4 6121 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000210809_100000685027 [0,1,1,0,0,0|0,0,0]=2 6122 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000759063_100011215454 [0,1,1,0,0,0|0,0,0]=2 6123 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000210809_100011215641 [0,1,1,0,0,0|0,0,0]=2 6124 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000759063_100011215454 [0,1,1,0,0,0|0,0,0]=2 6125 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 34a_100000210809_100102525003 [0,1,1,0,0,0|1,0,0]=3 6126 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 7a_100000210809_100102525003 [0,1,1,0,0,0|1,0,0]=3 6127 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210774_100011215454 [0,1,1,0,0,0|1,0,1]=4 6128 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210809_100011214892 [0,1,1,0,0,0|1,0,1]=4 6129 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210774_100011215454 [0,1,1,0,0,0|1,0,1]=4 6130 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210809_100011214892 [0,1,1,0,0,0|1,0,1]=4 6131 B17R0.43 CCCCCCCCCCCOCCCC(C)O 34a_100000210809_200000718107 [0,1,1,0,0,0|0,0,2]=4 6132 B17R0.43 CCCCCCCCCCCOCCCC(C)O 7a_100000210809_200000718107 [0,1,1,0,0,0|0,0,2]=4 6133 B17R0.43 CCCCCCCCCCCOCCCN(C)C 7a_100000210809_100000757444 [0,1,1,0,0,0|2,0,0]=4 6134 B17R0.43 CCCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215454 [0,1,1,0,0,0|2,0,0]=4 6135 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 34a_100000158858_100011215454 [0,1,1,0,0,0|1,0,0]=3 6136 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 7a_100000210809_100000189650 [0,1,1,0,0,0|1,0,0]=3 6137 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 34a_100000181757_100011215454 [0,1,1,0,0,0|2,0,0]=4 6138 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 7a_100000210809_200000034859 [0,1,1,0,0,0|2,0,0]=4 6139 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 34a_100000210809_100009814007 [0,1,1,0,0,0|1,0,0]=3 6140 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 7a_100000210809_100009814007 [0,1,1,0,0,0|1,0,0]=3 6141 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 34a_100000210809_200011214921 [0,1,1,0,0,0|2,0,0]=4 6142 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000210809_200011214921 [0,1,1,0,0,0|2,0,0]=4 6143 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000766696_100011215454 [0,1,1,0,0,0|2,0,0]=4 6144 B17R0.43 CCCCCCCCCCCSCCCC(=O)C 62a_100011215641_100011215454 [0,1,1,0,0,0|0,0,0]=2 6145 B17R0.43 CCCCCCCCCCCSCCCC(=O)N 62a_100102525003_100011215454 [0,1,1,0,0,0|1,0,0]=3 6146 B17R0.43 CCCCCCCCCCCSCCCC(C)O 62a_200000718107_100011215454 [0,1,1,0,0,0|0,0,2]=4 6147 B17R0.43 CCCCCCCCCCCSCCNC(=O)C 62a_100000189650_100011215454 [0,1,1,0,0,0|1,0,0]=3 6148 B17R0.43 CCCCCCCCCCCSCCNC(=O)N 62a_200000034859_100011215454 [0,1,1,0,0,0|2,0,0]=4 6149 B17R0.43 CCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100011215454 [0,1,1,0,0,0|1,0,0]=3 6150 B17R0.43 CCCCCCCCCCCSCCOC(=O)N 62a_200011214921_100011215454 [0,1,1,0,0,0|2,0,0]=4 6151 B17R0.43 CCCCCCCCCCNCCCCC(=O)C 34a_100000684558_100009817362 [0,1,1,0,0,0|0,0,0]=2 6152 B17R0.43 CCCCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210320 [0,1,1,0,0,0|1,0,0]=3 6153 B17R0.43 CCCCCCCCCCNCCCCC(C)C 2230a_100000684558_100011216152 [0,1,1,0,0,0|1,0,1]=4 6154 B17R0.43 CCCCCCCCCCNCCCCC(C)C 34a_100000684558_100011216152 [0,1,1,0,0,0|1,0,1]=4 6155 B17R0.43 CCCCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210320 [0,1,1,0,0,0|1,0,0]=3 6156 B17R0.43 CCCCCCCCCCNCCCOC(=O)C 34a_100000684558_100000042594 [0,1,1,0,0,0|1,0,0]=3 6157 B17R0.43 CCCCCCCCCCNCCCOC(=S)C 2230a_100000684558_200135323944 [0,1,1,0,0,0|1,1,0]=4 6158 B17R0.43 CCCCCCCCCCNCCCOC(=S)C 34a_100000684558_200135323944 [0,1,1,0,0,0|1,1,0]=4 6159 B17R0.43 CCCCCCCCCCNCCCSC(=O)C 2230a_100000684558_100000038929 [0,1,1,0,0,0|1,0,0]=3 6160 B17R0.43 CCCCCCCCCCNCCCSC(=O)C 34a_100000684558_100000038929 [0,1,1,0,0,0|1,0,0]=3 6161 B17R0.43 CCCCCCCCCCNCCOCC(=O)N 2230a_100000684558_100000076697 [0,1,1,0,0,0|2,0,0]=4 6162 B17R0.43 CCCCCCCCCCNCCOCC(=O)N 34a_100000684558_100000076697 [0,1,1,0,0,0|2,0,0]=4 6163 B17R0.43 CCCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210320 [0,1,1,0,0,0|2,0,0]=4 6164 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 34a_100000210711_100009817362 [0,1,1,0,0,0|0,0,0]=2 6165 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 7a_100000210711_100000735457 [0,1,1,0,0,0|0,0,0]=2 6166 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210320 [0,1,1,0,0,0|1,0,0]=3 6167 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210320 [0,1,1,0,0,0|1,0,0]=3 6168 B17R0.43 CCCCCCCCCCOCCCCC(C)C 34a_100000210711_100011216152 [0,1,1,0,0,0|1,0,1]=4 6169 B17R0.43 CCCCCCCCCCOCCCCC(C)C 34a_100011214890_100000210320 [0,1,1,0,0,0|1,0,1]=4 6170 B17R0.43 CCCCCCCCCCOCCCCC(C)C 7a_100000210711_100011216152 [0,1,1,0,0,0|1,0,1]=4 6171 B17R0.43 CCCCCCCCCCOCCCCC(C)C 7a_100011214890_100000210320 [0,1,1,0,0,0|1,0,1]=4 6172 B17R0.43 CCCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210320 [0,1,1,0,0,0|2,0,0]=4 6173 B17R0.43 CCCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210320 [0,1,1,0,0,0|2,0,0]=4 6174 B17R0.43 CCCCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210320 [0,1,1,0,0,0|1,0,0]=3 6175 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 34a_100000210711_100000042594 [0,1,1,0,0,0|1,0,0]=3 6176 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 7a_100000210711_100000042594 [0,1,1,0,0,0|1,0,0]=3 6177 B17R0.43 CCCCCCCCCCOCCCOC(=S)C 34a_100000210711_200135323944 [0,1,1,0,0,0|1,1,0]=4 6178 B17R0.43 CCCCCCCCCCOCCCOC(=S)C 7a_100000210711_200135323944 [0,1,1,0,0,0|1,1,0]=4 6179 B17R0.43 CCCCCCCCCCOCCCSC(=O)C 34a_100000210711_100000038929 [0,1,1,0,0,0|1,0,0]=3 6180 B17R0.43 CCCCCCCCCCOCCCSC(=O)C 7a_100000210711_100000038929 [0,1,1,0,0,0|1,0,0]=3 6181 B17R0.43 CCCCCCCCCCOCCOCC(=O)N 34a_100000210711_100000076697 [0,1,1,0,0,0|2,0,0]=4 6182 B17R0.43 CCCCCCCCCCOCCOCC(=O)N 7a_100000210711_100000076697 [0,1,1,0,0,0|2,0,0]=4 6183 B17R0.43 CCCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210320 [0,1,1,0,0,0|0,0,0]=2 6184 B17R0.43 CCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210320 [0,1,1,0,0,0|1,0,0]=3 6185 B17R0.43 CCCCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210320 [0,1,1,0,0,0|1,1,0]=4 6186 B17R0.43 CCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210320 [0,1,1,0,0,0|1,0,0]=3 6187 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 34a_100011628728_100000187820 [0,1,1,0,0,0|2,0,0]=4 6188 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210320 [0,1,1,0,0,0|2,0,0]=4 6189 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 7a_100011628728_100000187820 [0,1,1,0,0,0|2,0,0]=4 6190 B17R0.43 CCCCCCCCCCSCCOCC(=O)[O-] 34a_100011628728_100020667443 [0,1,1,0,0,0|2,0,0]=4 6191 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 2230a_100000212291_100009817443 [0,1,1,0,0,0|1,0,0]=3 6192 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 34a_100000212291_100009817443 [0,1,1,0,0,0|1,0,0]=3 6193 B17R0.43 CCCCCCCCCNCCCCCC(C)C 2230a_100000212291_100000210682 [0,1,1,0,0,0|1,0,1]=4 6194 B17R0.43 CCCCCCCCCNCCCCCC(C)C 2230a_100011290863_100011214924 [0,1,1,0,0,0|1,0,1]=4 6195 B17R0.43 CCCCCCCCCNCCCCCC(C)C 34a_100000212291_100000210682 [0,1,1,0,0,0|1,0,1]=4 6196 B17R0.43 CCCCCCCCCNCCCCCC(C)C 34a_100011290863_100011214924 [0,1,1,0,0,0|1,0,1]=4 6197 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100011214924 [0,1,1,0,0,0|1,0,0]=3 6198 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 34a_200011368371_100011214924 [0,1,1,0,0,0|1,0,0]=3 6199 B17R0.43 CCCCCCCCCNCCCCOC(=O)C 34a_100000212291_100000033659 [0,1,1,0,0,0|1,0,0]=3 6200 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 2230a_100000212291_200010402107 [0,1,1,0,0,0|1,0,0]=3 6201 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 34a_100000212291_200010402107 [0,1,1,0,0,0|1,0,0]=3 6202 B17R0.43 CCCCCCCCCNCOCCOC(=O)C 34a_100000212291_100000076355 [0,1,1,0,0,0|2,0,0]=4 6203 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000123541_100011214924 [0,1,1,0,0,0|1,0,0]=3 6204 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000210712_100009817443 [0,1,1,0,0,0|1,0,0]=3 6205 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210328 [0,1,1,0,0,0|1,0,0]=3 6206 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000210712_100009817443 [0,1,1,0,0,0|1,0,0]=3 6207 B17R0.43 CCCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210328 [0,1,1,0,0,0|1,0,0]=3 6208 B17R0.43 CCCCCCCCCOCCCCCC(C)C 34a_100000210712_100000210682 [0,1,1,0,0,0|1,0,1]=4 6209 B17R0.43 CCCCCCCCCOCCCCCC(C)C 34a_100011995859_100011214924 [0,1,1,0,0,0|1,0,1]=4 6210 B17R0.43 CCCCCCCCCOCCCCCC(C)C 7a_100000210712_100000210682 [0,1,1,0,0,0|1,0,1]=4 6211 B17R0.43 CCCCCCCCCOCCCCCC(C)C 7a_100011995859_100000210328 [0,1,1,0,0,0|1,0,1]=4 6212 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000073216_100011214924 [0,1,1,0,0,0|1,0,0]=3 6213 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000210712_100000033659 [0,1,1,0,0,0|1,0,0]=3 6214 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210328 [0,1,1,0,0,0|1,0,0]=3 6215 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000210712_100000033659 [0,1,1,0,0,0|1,0,0]=3 6216 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 34a_100000210712_200010402107 [0,1,1,0,0,0|1,0,0]=3 6217 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 7a_100000210712_200010402107 [0,1,1,0,0,0|1,0,0]=3 6218 B17R0.43 CCCCCCCCCOCOCCOC(=O)C 34a_100000210712_100000076355 [0,1,1,0,0,0|2,0,0]=4 6219 B17R0.43 CCCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210670 [0,1,1,0,0,0|1,0,0]=3 6220 B17R0.43 CCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210670 [0,1,1,0,0,0|1,0,0]=3 6221 B17R0.43 CCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210670 [0,1,1,0,0,0|1,0,0]=3 6222 B17R0.43 CCCCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210670 [0,1,1,0,0,0|2,0,0]=4 6223 B17R0.43 CCCCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210759 [0,1,1,0,0,0|1,0,1]=4 6224 B17R0.43 CCCCCCCCNCCCCCCC(C)C 34a_100000211014_100000210759 [0,1,1,0,0,0|1,0,1]=4 6225 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210759 [0,1,1,0,0,0|1,0,0]=3 6226 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210759 [0,1,1,0,0,0|1,0,0]=3 6227 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 2230a_100000229939_100009813381 [0,1,1,0,0,0|1,0,0]=3 6228 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 34a_100000229939_100000033007 [0,1,1,0,0,0|1,0,0]=3 6229 B17R0.43 CCCCCCCCNCCOCCOC(=O)C 2230a_100000229939_200000083610 [0,1,1,0,0,0|2,0,0]=4 6230 B17R0.43 CCCCCCCCNCCOCCOC(=O)C 34a_100000229939_200000083610 [0,1,1,0,0,0|2,0,0]=4 6231 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 34a_100000210232_100000033007 [0,1,1,0,0,0|1,0,0]=3 6232 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 7a_100000210232_100000033007 [0,1,1,0,0,0|1,0,0]=3 6233 B17R0.43 CCCCCCCCOCCOCCOC(=O)C 34a_100000210232_200000083610 [0,1,1,0,0,0|2,0,0]=4 6234 B17R0.43 CCCCCCCCOCCOCCOC(=O)C 7a_100000210232_200000083610 [0,1,1,0,0,0|2,0,0]=4 6235 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210317 [0,1,1,0,0,0|1,0,0]=3 6236 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000210759_100000033007 [0,1,1,0,0,0|1,0,0]=3 6237 B17R0.43 CCCCCCCCSCCOCCOC(=O)C 62a_100000210759_200000083610 [0,1,1,0,0,0|2,0,0]=4 6238 B17R0.43 CCCCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210317 [0,1,1,0,0,0|2,0,0]=4 6239 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210681 [0,1,1,0,0,0|1,0,0]=3 6240 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210614 [0,1,1,0,0,0|1,0,0]=3 6241 B17R0.43 CCCCCCCOCCCCCCCC(C)C 34a_200000210741_100000210614 [0,1,1,0,0,0|1,0,1]=4 6242 B17R0.43 CCCCCCCOCCCCCCCC(C)C 7a_200000210741_100000210614 [0,1,1,0,0,0|1,0,1]=4 6243 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 34a_100000691444_100009817443 [0,1,1,0,0,0|2,0,0]=4 6244 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 7a_100000691444_100009817443 [0,1,1,0,0,0|2,0,0]=4 6245 B17R0.43 CCCCCCOCCOCCCCOC(=O)C 34a_100000691444_100000033659 [0,1,1,0,0,0|2,0,0]=4 6246 B17R0.43 CCCCCCOCCOCCCCOC(=O)C 7a_100000691444_100000033659 [0,1,1,0,0,0|2,0,0]=4 6247 B17R0.43 CCCCCCOCCOCCCCSC(=O)C 34a_100000691444_200010402107 [0,1,1,0,0,0|2,0,0]=4 6248 B17R0.43 CCCCCCOCCOCCCCSC(=O)C 7a_100000691444_200010402107 [0,1,1,0,0,0|2,0,0]=4 6249 B17R0.43 CCCCCCOCCOCCOCCC(=O)C 7a_100000032842_100000053229 [0,1,1,0,0,0|2,0,0]=4 6250 B17R0.43 CCCCCNCCOCCCCCOC(=O)C 34a_100000224656_100000033007 [0,1,1,0,0,0|2,0,0]=4 6251 B17R0.43 CCCCCOCCOCCCCCOC(=O)C 34a_100011215259_100000033007 [0,1,1,0,0,0|2,0,0]=4 6252 B17R0.43 CCCCCOCCOCCCCCOC(=O)C 7a_100011215259_100000033007 [0,1,1,0,0,0|2,0,0]=4 6253 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 2230a_100000102301_200010167045 [0,1,1,0,0,0|1,0,0]=3 6254 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 7a_106832991798_200010167045 [0,1,1,0,0,0|1,0,0]=3 6255 B17R0.43 CCCCNCCCCOCCCCCC(=O)N 34a_200011216965_100009817443 [0,1,1,0,0,0|2,0,0]=4 6256 B17R0.43 CCCCNCCCCOCCCCOC(=O)C 34a_200011216965_100000033659 [0,1,1,0,0,0|2,0,0]=4 6257 B17R0.43 CCCCNCCCCOCCCCSC(=O)C 34a_200011216965_200010402107 [0,1,1,0,0,0|2,0,0]=4 6258 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 34a_100000210227_200010167045 [0,1,1,0,0,0|1,0,0]=3 6259 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 7a_100000210227_200010167045 [0,1,1,0,0,0|1,0,0]=3 6260 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 34a_200000760531_100009817443 [0,1,1,0,0,0|2,0,0]=4 6261 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 7a_200000760531_100009817443 [0,1,1,0,0,0|2,0,0]=4 6262 B17R0.43 CCCCOCCCCOCCCCOC(=O)C 34a_200000760531_100000033659 [0,1,1,0,0,0|2,0,0]=4 6263 B17R0.43 CCCCOCCCCOCCCCOC(=O)C 7a_200000760531_100000033659 [0,1,1,0,0,0|2,0,0]=4 6264 B17R0.43 CCCCOCCCCOCCCCSC(=O)C 34a_200000760531_200010402107 [0,1,1,0,0,0|2,0,0]=4 6265 B17R0.43 CCCCOCCCCOCCCCSC(=O)C 7a_200000760531_200010402107 [0,1,1,0,0,0|2,0,0]=4 6266 B17R0.43 CCCCOCCCNCCCCCOC(=O)C 2230a_200000211371_100009813381 [0,1,1,0,0,0|2,0,0]=4 6267 B17R0.43 CCCCOCCCNCCCCCOC(=O)C 34a_200000211371_100000033007 [0,1,1,0,0,0|2,0,0]=4 6268 B17R0.43 CCCCOCCCOCCCCCOC(=O)C 34a_200011215613_100000033007 [0,1,1,0,0,0|2,0,0]=4 6269 B17R0.43 CCCCOCCCOCCCCCOC(=O)C 7a_200011215613_100000033007 [0,1,1,0,0,0|2,0,0]=4 6270 B17R0.43 CCCCOCCNCCCCCCNC(=O)C 2230a_200011996284_100000743108 [0,1,1,0,0,0|2,0,0]=4 6271 B17R0.43 CCCCOCCNCCCCCCNC(=O)C 34a_200011996284_100000743108 [0,1,1,0,0,0|2,0,0]=4 6272 B17R0.43 CCCCOCCOCCOCCCCC(=O)C 34a_100011215186_100009817362 [0,1,1,0,0,0|2,0,0]=4 6273 B17R0.43 CCCCOCCOCCOCCCCC(=O)C 7a_100011215186_100000735457 [0,1,1,0,0,0|2,0,0]=4 6274 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_100000210211_200010167045 [0,1,1,0,0,0|1,0,0]=3 6275 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210210 [0,1,1,0,0,0|1,0,0]=3 6276 B17R0.43 CCNCCCCCCCCCCCSC(=O)C 2230a_100015525214_100010140907 [0,1,1,0,0,0|1,0,0]=3 6277 B17R0.43 CCOCCCCCCCCCCCSC(=O)C 34a_100121572206_100010140907 [0,1,1,0,0,0|1,0,0]=3 6278 B17R0.43 CCOCCCCCCCCCOCCC(=O)C 7a_100009875440_100000053229 [0,1,1,0,0,0|1,0,0]=3 6279 B17R0.43 CCOCCCCCCCCCOCCC(=O)N 34a_100009875440_100000731001 [0,1,1,0,0,0|2,0,0]=4 6280 B17R0.43 CCOCCCCCCCCCOCCC(=O)N 7a_100009875440_100000744528 [0,1,1,0,0,0|2,0,0]=4 6281 B17R0.43 CCOCCCCCCCCCOCOC(=O)C 34a_100009875440_100009813279 [0,1,1,0,0,0|2,0,0]=4 6282 B17R0.43 CCOCSCCCCCCCCCCC(=O)N 62a_100000739092_200010167045 [0,1,1,0,0,0|2,0,0]=4 6283 B17R0.43 CCOCSCCCCCCCCCCC(=O)N 62a_200010167045_100000739092 [0,1,1,0,0,0|2,0,0]=4 6284 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100000210202_100010140907 [0,1,1,0,0,0|1,0,0]=3 6285 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210202 [0,1,1,0,0,0|1,0,0]=3 6286 B17R0.43 CN(C)CCCCCCCCCCCCCCO 2230a_100102631434_100009828009 [0,1,1,0,0,0|2,0,0]=4 6287 B17R0.43 CN(C)CCCCCCCCCCCCCCO 269982a_100102631434_100009828009 [0,1,1,0,0,0|2,0,0]=4 6288 B17R0.43 COCCCCCCNCCCCCCC(C)C 2230a_100000211014_100011998445 [0,1,1,0,0,0|2,0,0]=4 6289 B17R0.43 COCCCCCCNCCCCCCC(C)C 34a_100000211014_100011998445 [0,1,1,0,0,0|2,0,0]=4 6290 B17R0.43 COCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100011998445 [0,1,1,0,0,0|2,0,0]=4 6291 B17R0.43 COCCCCCCNCCCCCNC(=O)C 34a_200012022750_100011998445 [0,1,1,0,0,0|2,0,0]=4 6292 B17R0.43 COCCCCCCOCCCCCOC(=O)C 34a_200012092642_100000033007 [0,1,1,0,0,0|2,0,0]=4 6293 B17R0.43 COCCCCCCOCCCCCOC(=O)C 7a_200012092642_100000033007 [0,1,1,0,0,0|2,0,0]=4 6294 B17R0.43 COCCCCCCSCCCCCOC(=O)C 62a_100000033007_100011998445 [0,1,1,0,0,0|2,0,0]=4 6295 B17R0.43 COCCCCCCSCCCCCOC(=O)C 62a_100011998445_100000033007 [0,1,1,0,0,0|2,0,0]=4 6296 B17R0.43 COCCNCCCCCCCCCCC(=O)N 2230a_100000209980_200010167045 [0,1,1,0,0,0|2,0,0]=4 6297 B17R0.43 COCCOCCCCCCCCCCC(=O)N 34a_100000210237_200010167045 [0,1,1,0,0,0|2,0,0]=4 6298 B17R0.43 COCCSCCCCCCCCCCC(=O)N 62a_100000233755_200010167045 [0,1,1,0,0,0|2,0,0]=4 6299 B17R0.43 COCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000233755 [0,1,1,0,0,0|2,0,0]=4 6300 B17R0.43 CS(=O)CCCNCCCCCCCCCCO 2230a_200000753449_100009813290 [0,1,1,0,0,0|2,0,0]=4 6301 B17R0.43 CSCCNCCCCCCCCCCC(=O)N 2230a_100020590264_200010167045 [0,1,1,0,0,0|2,0,0]=4 6302 B17R0.43 CSCCOCCCCCCCCCCC(=O)N 34a_100000230434_200010167045 [0,1,1,0,0,0|2,0,0]=4 6303 B17R0.43 CSCCOCCCCCCCCCCC(=O)N 7a_100000230434_200010167045 [0,1,1,0,0,0|2,0,0]=4 6304 B17R0.43 CSCCSCCCCCCCCCCC(=O)N 62a_100000212216_200010167045 [0,1,1,0,0,0|2,0,0]=4 6305 B17R0.43 CSCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000751147 [0,1,1,0,0,0|2,0,0]=4 6306 B17R0.43 NC(=O)CCCCCCCCCCNCCCF 2230a_100015189416_200010167045 [0,1,1,0,0,0|2,0,0]=4 6307 B17R0.43 NC(=O)CCCCCCCCCCNCCCF 34a_100015189416_200010167045 [0,1,1,0,0,0|2,0,0]=4 6308 B17R0.43 NC(=O)CCCCCCCCCCOCCCBr 34a_100011217188_200010167045 [0,1,1,0,0,0|2,0,0]=4 6309 B17R0.43 NC(=O)CCCCCCCCCCOCCCCl 34a_100000230001_200010167045 [0,1,1,0,0,0|2,0,0]=4 6310 B17R0.43 NC(=O)CCCCCCCCCCOCCCF 34a_100000759539_200010167045 [0,1,1,0,0,0|2,0,0]=4 6311 B17R0.43 NC(=O)CCCCCCCCCCSCCCF 62a_100011934791_200010167045 [0,1,1,0,0,0|2,0,0]=4 6312 B17R0.43 NC(=O)CCCCCCCCCCSCCCF 62a_200010167045_100011934791 [0,1,1,0,0,0|2,0,0]=4 6313 B17R0.43 NC(=O)CCCCCCCCCCSCCCO 62a_100011215043_200010167045 [0,1,1,0,0,0|2,0,0]=4 6314 B17R0.43 NC(=O)CCCCCCCCCCSCCCO 62a_200010167045_100011215043 [0,1,1,0,0,0|2,0,0]=4 6315 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 2230a_102515433106_100009817443 [0,1,1,0,0,0|2,0,0]=4 6316 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 34a_102515433106_100009817443 [0,1,1,0,0,0|2,0,0]=4 6317 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 34a_100009813846_100009817443 [0,1,1,0,0,0|2,0,0]=4 6318 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 7a_100009813846_100009817443 [0,1,1,0,0,0|2,0,0]=4 6319 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 34a_100000033203_100009817443 [0,1,1,0,0,0|2,0,0]=4 6320 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 7a_100000033203_100009817443 [0,1,1,0,0,0|2,0,0]=4 6321 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 34a_100000123541_100000033203 [0,1,1,0,0,0|2,0,0]=4 6322 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 7a_100000123541_100000033203 [0,1,1,0,0,0|2,0,0]=4 6323 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100000033203_100009817443 [0,1,1,0,0,0|2,0,0]=4 6324 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100009817443_100000033203 [0,1,1,0,0,0|2,0,0]=4 6325 B17R0.43 NC(=O)CCCCNCCCCCCCCCO 34a_100000696515_100009813782 [0,1,1,0,0,0|2,0,0]=4 6326 B17R0.43 NC(=O)CCCCOCCCCCCCCCO 34a_100012022536_100009813782 [0,1,1,0,0,0|2,0,0]=4 6327 B17R0.43 NC(=O)CCCCOCCCCCCCCCO 7a_100012022536_100009813782 [0,1,1,0,0,0|2,0,0]=4 6328 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100102525003 [0,1,1,0,0,0|2,0,0]=4 6329 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000739312_100009813290 [0,1,1,0,0,0|2,0,0]=4 6330 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100102525003 [0,1,1,0,0,0|2,0,0]=4 6331 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100102525003 [0,1,1,0,0,0|2,0,0]=4 6332 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100102525003 [0,1,1,0,0,0|2,0,0]=4 6333 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100102525003 [0,1,1,0,0,0|2,0,0]=4 6334 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100102525003 [0,1,1,0,0,0|2,0,0]=4 6335 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100102525003_200000033068 [0,1,1,0,0,0|2,0,0]=4 6336 B17R0.43 NC(=O)CCOCCCCCCCCCCCBr 34a_100009812471_100000731001 [0,1,1,0,0,0|2,0,0]=4 6337 B17R0.43 NC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000744528 [0,1,1,0,0,0|2,0,0]=4 6338 B17R0.43 NC(=O)CCOCCCCCCCCCCCO 34a_100000757172_100009812471 [0,1,1,0,0,0|2,0,0]=4 6339 B17R0.43 NC(=O)CCOCCCCCCCCCCCO 7a_100000757172_100009812471 [0,1,1,0,0,0|2,0,0]=4 6340 B17R0.43 NC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000744528 [0,1,1,0,0,0|2,0,0]=4 6341 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 2230a_100000066677_100000747473 [0,1,1,0,0,0|2,0,0]=4 6342 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 2230a_100000711301_100009813331 [0,1,1,0,0,0|2,0,0]=4 6343 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 34a_100000066677_100000187820 [0,1,1,0,0,0|2,0,0]=4 6344 B17R0.43 NC(=O)COCCCCCCCCCCCCBr 34a_100009813331_100000187820 [0,1,1,0,0,0|2,0,0]=4 6345 B17R0.43 NC(=O)COCCCCCCCCCCCCBr 7a_100009813331_100000187820 [0,1,1,0,0,0|2,0,0]=4 6346 B17R0.43 NC(=O)CSCCCCCCCCCCCCO 62a_100009813331_100000747473 [0,1,1,0,0,0|2,0,0]=4 6347 B17R0.43 NCCCCCCCCCCCCOCC(=O)N 34a_100000066677_100000187820 [0,1,1,0,0,0|2,0,0]=4 6348 B17R0.43 NCCCCCCCCCCCCOCC(=O)[O-] 34a_100000066677_100020667443 [0,1,1,0,0,0|2,0,0]=4 6349 B17R0.43 NCCCCCCCCCCOCCCC(=O)N 34a_100000066964_100102525003 [0,1,1,0,0,0|2,0,0]=4 6350 B17R0.43 NCCCCCCCCOCCCCCC(=O)N 34a_102515433106_100009817443 [0,1,1,0,0,0|2,0,0]=4 6351 B17R0.43 NCCCOCCCCCCCCCCC(=O)N 34a_100000182051_200010167045 [0,1,1,0,0,0|2,0,0]=4 6352 B17R0.43 O=C(O)CNCCCCCCCCCCCCO 269956a_100016091260_100009813331 [0,1,1,0,0,0|2,0,0]=4 6353 B17R0.43 O=C([O-])CCCCCOCCCCCCCCO 7a_100102619762_100000033203 [0,1,1,0,0,0|2,0,0]=4 6354 B17R0.43 O=C([O-])CNCCCCCCCCCCCCO 34a_100000066677_100020667443 [0,1,1,0,0,0|2,0,0]=4 6355 B17R0.43 O=C([O-])COCCCCCCCCCCCCBr 34a_100009813331_100020667443 [0,1,1,0,0,0|2,0,0]=4 6356 B17R0.43 O=C([O-])CSCCCCCCCCCCCCO 62a_100009813331_100020667443 [0,1,1,0,0,0|2,0,0]=4 6357 B17R0.78 C=CCCCCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000700193 [0,1,1,0,0,0|1,0,1]=4 6358 B17R0.78 CCCCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210614 [0,1,1,0,0,0|1,0,1]=4 6359 B17R0.78 CCCCCCCC(=O)CCCCCOC(=O)C 1458a_100000211969_100000033007 [0,1,1,0,0,0|1,0,1]=4 6360 B17R0.78 CCCCCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011218727 [0,1,1,0,0,0|2,0,0]=4 6361 B17R0.78 CCCCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000210596 [0,1,1,0,0,0|2,0,0]=4 6362 B17R0.78 CCCCCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011218727 [0,1,1,0,0,0|2,0,0]=4 6363 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218727 [0,1,1,0,0,0|2,0,0]=4 6364 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 34a_200011215852_100009817443 [0,1,1,0,0,0|2,0,0]=4 6365 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218727 [0,1,1,0,0,0|2,0,0]=4 6366 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 7a_200011215852_100009817443 [0,1,1,0,0,0|2,0,0]=4 6367 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218727 [0,1,1,0,0,0|2,0,0]=4 6368 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011218727 [0,1,1,0,0,0|2,0,0]=4 6369 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 34a_200011215852_100000033659 [0,1,1,0,0,0|2,0,0]=4 6370 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011218727 [0,1,1,0,0,0|2,0,0]=4 6371 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 7a_200011215852_100000033659 [0,1,1,0,0,0|2,0,0]=4 6372 B17R0.78 CCCCCCCC(C)OCCCCSC(=O)C 34a_200011215852_200010402107 [0,1,1,0,0,0|2,0,0]=4 6373 B17R0.78 CCCCCCCC(C)OCCCCSC(=O)C 7a_200011215852_200010402107 [0,1,1,0,0,0|2,0,0]=4 6374 B17R0.78 CCCCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218727 [0,1,1,0,0,0|2,0,0]=4 6375 B17R0.78 CCCCCCCC(C)SCCCCCC(=O)N 62a_200011218727_100009817443 [0,1,1,0,0,0|2,0,0]=4 6376 B17R0.78 CCCCCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011218727 [0,1,1,0,0,0|2,0,0]=4 6377 B17R0.78 CCCCCCCC(C)SCCCCOC(=O)C 62a_200011218727_100000033659 [0,1,1,0,0,0|2,0,0]=4 6378 B17R0.78 CCCCCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011218727 [0,1,1,0,0,0|2,0,0]=4 6379 B17R0.78 CCCCCCCC(C)SCCCCSC(=O)C 62a_200011218727_200010402107 [0,1,1,0,0,0|2,0,0]=4 6380 B17R0.78 CCCCCCCN(C)CCCCCOC(=O)C 2230a_100000228206_100009813381 [0,1,1,0,0,0|2,0,0]=4 6381 B17R0.78 CCCCCCCN(C)CCCCCOC(=O)C 269982a_100000228206_100000033007 [0,1,1,0,0,0|2,0,0]=4 6382 B17R0.101 C=CCCCCCCC(=O)CCCCCC(C)C 1458a_100000766313_100011215473 [0,1,1,0,0,0|1,0,1]=4 6383 B17R0.101 C=CCCCCCCC(=O)CCCCCC(C)C 1458a_100011809334_100000210682 [0,1,1,0,0,0|1,0,1]=4 6384 B17R0.101 CCCCCCCCC(=O)CCCCCC(=O)N 1458a_100000210188_100009817443 [0,1,1,0,0,0|1,0,1]=4 6385 B17R0.101 CCCCCCCCC(=O)CCCCOC(=O)C 1458a_100000210188_100000033659 [0,1,1,0,0,0|1,0,1]=4 6386 B17R0.101 CCCCCCCCC(=O)CCCCSC(=O)C 1458a_100000210188_200010402107 [0,1,1,0,0,0|1,0,1]=4 6387 B17R0.101 CCCCCCCCC(C)CNCCCS(=O)C 270004a_200000753449_100011995885 [0,1,1,0,0,0|2,0,0]=4 6388 B17R0.101 CCCCCCCCC(C)COCCCC(=O)C 34a_200012125181_100000685027 [0,1,1,0,0,0|1,0,0]=3 6389 B17R0.101 CCCCCCCCC(C)COCCCC(=O)C 7a_200012125181_100011215641 [0,1,1,0,0,0|1,0,0]=3 6390 B17R0.101 CCCCCCCCC(C)COCCCC(=O)N 34a_200012125181_100102525003 [0,1,1,0,0,0|2,0,0]=4 6391 B17R0.101 CCCCCCCCC(C)COCCCC(=O)N 7a_200012125181_100102525003 [0,1,1,0,0,0|2,0,0]=4 6392 B17R0.101 CCCCCCCCC(C)COCCNC(=O)C 7a_200012125181_100000189650 [0,1,1,0,0,0|2,0,0]=4 6393 B17R0.101 CCCCCCCCC(C)COCCOC(=O)C 34a_200012125181_100009814007 [0,1,1,0,0,0|2,0,0]=4 6394 B17R0.101 CCCCCCCCC(C)COCCOC(=O)C 7a_200012125181_100009814007 [0,1,1,0,0,0|2,0,0]=4 6395 B17R0.101 CCCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100011216694 [0,1,1,0,0,0|2,0,0]=4 6396 B17R0.101 CCCCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100011216694 [0,1,1,0,0,0|2,0,0]=4 6397 B17R0.101 CCCCCCCCC(C)OCCCCC(=O)C 34a_100000210740_100009817362 [0,1,1,0,0,0|1,0,0]=3 6398 B17R0.101 CCCCCCCCC(C)OCCCCC(=O)C 7a_100000210740_100000735457 [0,1,1,0,0,0|1,0,0]=3 6399 B17R0.101 CCCCCCCCC(C)OCCCOC(=O)C 34a_100000210740_100000042594 [0,1,1,0,0,0|2,0,0]=4 6400 B17R0.101 CCCCCCCCC(C)OCCCOC(=O)C 7a_100000210740_100000042594 [0,1,1,0,0,0|2,0,0]=4 6401 B17R0.101 CCCCCCCCC(C)OCCCSC(=O)C 34a_100000210740_100000038929 [0,1,1,0,0,0|2,0,0]=4 6402 B17R0.101 CCCCCCCCC(C)OCCCSC(=O)C 7a_100000210740_100000038929 [0,1,1,0,0,0|2,0,0]=4 6403 B17R0.101 CCCCCCCCN(C)CCCCCC(=O)N 2230a_100000207567_100009817443 [0,1,1,0,0,0|2,0,0]=4 6404 B17R0.101 CCCCCCCCN(C)CCCCCC(=O)N 269982a_100000207567_100009817443 [0,1,1,0,0,0|2,0,0]=4 6405 B17R0.101 CCCCCCCCN(C)CCCCOC(=O)C 269982a_100000207567_100000033659 [0,1,1,0,0,0|2,0,0]=4 6406 B17R0.101 CCCCCCCCN(C)CCCCSC(=O)C 2230a_100000207567_200010402107 [0,1,1,0,0,0|2,0,0]=4 6407 B17R0.101 CCCCCCCCN(C)CCCCSC(=O)C 269982a_100000207567_200010402107 [0,1,1,0,0,0|2,0,0]=4 6408 B17R0.139 CCCCCCC(C)CCOCCCCC(=O)C 34a_200011024964_100009817362 [0,1,1,0,0,0|1,0,0]=3 6409 B17R0.139 CCCCCCC(C)CCOCCCCC(=O)C 7a_200011024964_100000735457 [0,1,1,0,0,0|1,0,0]=3 6410 B17R0.139 CCCCCCC(C)CCOCCCOC(=O)C 34a_200011024964_100000042594 [0,1,1,0,0,0|2,0,0]=4 6411 B17R0.139 CCCCCCC(C)CCOCCCOC(=O)C 7a_200011024964_100000042594 [0,1,1,0,0,0|2,0,0]=4 6412 B17R0.139 CCCCCCC(C)CCOCCCSC(=O)C 34a_200011024964_100000038929 [0,1,1,0,0,0|2,0,0]=4 6413 B17R0.139 CCCCCCC(C)CCOCCCSC(=O)C 7a_200011024964_100000038929 [0,1,1,0,0,0|2,0,0]=4 6414 B17R0.139 CCCCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_100011215978 [0,1,1,0,0,0|2,0,0]=4 6415 B17R0.139 CCCCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000210826 [0,1,1,0,0,0|2,0,0]=4 6416 B17R0.139 CCCCCCC(C)NCCCCCNC(=O)C 34a_200012022750_100011215978 [0,1,1,0,0,0|2,0,0]=4 6417 B17R0.139 CCCCCCC(C)NCCCCCOC(=O)C 2230a_100000210919_100009813381 [0,1,1,0,0,0|2,0,0]=4 6418 B17R0.139 CCCCCCC(C)NCCCCCOC(=O)C 34a_100000210919_100000033007 [0,1,1,0,0,0|2,0,0]=4 6419 B17R0.139 CCCCCCC(C)OCCCCCOC(=O)C 34a_100000210265_100000033007 [0,1,1,0,0,0|2,0,0]=4 6420 B17R0.139 CCCCCCC(C)OCCCCCOC(=O)C 7a_100000210265_100000033007 [0,1,1,0,0,0|2,0,0]=4 6421 B17R0.139 CCCCCCC(C)SCCCCCOC(=O)C 62a_100000033007_100011215978 [0,1,1,0,0,0|2,0,0]=4 6422 B17R0.139 CCCCCCC(C)SCCCCCOC(=O)C 62a_100011215978_100000033007 [0,1,1,0,0,0|2,0,0]=4 6423 B17R0.170 CCCCC(C)CCCCOCCCCC(=O)C 34a_200011021034_100009817362 [0,1,1,0,0,0|1,0,0]=3 6424 B17R0.170 CCCCC(C)CCCCOCCCCC(=O)C 7a_200011021034_100000735457 [0,1,1,0,0,0|1,0,0]=3 6425 B17R0.170 CCCCC(C)CCCCOCCCOC(=O)C 34a_200011021034_100000042594 [0,1,1,0,0,0|2,0,0]=4 6426 B17R0.170 CCCCC(C)CCCCOCCCOC(=O)C 7a_200011021034_100000042594 [0,1,1,0,0,0|2,0,0]=4 6427 B17R0.170 CCCCC(C)CCCCOCCCSC(=O)C 34a_200011021034_100000038929 [0,1,1,0,0,0|2,0,0]=4 6428 B17R0.170 CCCCC(C)CCCCOCCCSC(=O)C 7a_200011021034_100000038929 [0,1,1,0,0,0|2,0,0]=4 6429 B17R0.179 CCCCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_200011218191 [0,1,1,0,0,0|2,0,0]=4 6430 B17R0.179 CCCCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000211708 [0,1,1,0,0,0|2,0,0]=4 6431 B17R0.179 CCCCCC(C)NCCCCCCNC(=O)C 34a_200011996284_200011218191 [0,1,1,0,0,0|2,0,0]=4 6432 B17R0.179 CCCCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000211708 [0,1,1,0,0,0|2,0,0]=4 6433 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000730704 [0,1,1,0,0,0|1,0,1]=4 6434 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_200000688413_100011215454 [0,1,1,0,0,0|1,0,1]=4 6435 B17R0.192 C=C(C)CCC(C)NCCCCCCCCCC 270004a_100000684558_100011215600 [0,1,1,0,0,0|2,0,0]=4 6436 B17R0.192 C=C(C)COC(C)CCCCCCCCCCC 34a_100011217895_100000748629 [0,1,1,0,0,0|2,0,0]=4 6437 B17R0.192 C=C(C)COC(C)CCCCCCCCCCC 7a_100011217895_100000748629 [0,1,1,0,0,0|2,0,0]=4 6438 B17R0.192 C=CCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100009814027 [0,1,1,0,0,0|1,0,1]=4 6439 B17R0.192 C=CCCCCCCCCCN(C)CCC(C)C 2230a_100000742789_100009814027 [0,1,1,0,0,0|2,0,0]=4 6440 B17R0.192 C=CCCCCCCCCCN(C)CCC(C)C 269982a_100000742789_100009814027 [0,1,1,0,0,0|2,0,0]=4 6441 B17R0.192 C=CCCCCCCCCNC(C)CCC(C)C 2230a_100138410893_100011933949 [0,1,1,0,0,0|2,0,0]=4 6442 B17R0.192 C=CCCCCCCCCOC(C)CCC(C)C 34a_100011215194_100011261404 [0,1,1,0,0,0|2,0,0]=4 6443 B17R0.192 C=CCCCCCCCCOC(C)CCC(C)C 34a_100011215350_100011933949 [0,1,1,0,0,0|2,0,0]=4 6444 B17R0.192 C=CCCCCCCCCOC(C)CCC(C)C 7a_100011215350_100011933949 [0,1,1,0,0,0|2,0,0]=4 6445 B17R0.192 CCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215454 [0,1,1,0,0,0|1,0,1]=4 6446 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100011215454 [0,1,1,0,0,0|1,0,1]=4 6447 B17R0.192 CCCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011215454 [0,1,1,0,0,0|1,0,1]=4 6448 B17R0.192 CCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100011215454 [0,1,1,0,0,0|1,0,1]=4 6449 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)C 1458a_100001278556_200000210301 [0,1,1,0,0,0|1,0,1]=4 6450 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100001278556_200025704644 [0,1,1,0,0,0|1,0,1]=4 6451 B17R0.192 CCCCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100020644155 [0,1,1,0,0,0|1,0,1]=4 6452 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)N 34a_100011217895_100000187820 [0,1,1,0,0,0|2,0,0]=4 6453 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)N 7a_100011217895_100000187820 [0,1,1,0,0,0|2,0,0]=4 6454 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011217895_100020667443 [0,1,1,0,0,0|2,0,0]=4 6455 B17R0.192 CCCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011215454 [0,1,1,0,0,0|2,0,0]=4 6456 B17R0.192 CCCCCCCCCCNC(C)COC(=O)C 270004a_100000684558_100000000629 [0,1,1,0,0,0|2,0,0]=4 6457 B17R0.192 CCCCCCCCCNCC(C)CSC(=O)C 2230a_100000212291_200000116872 [0,1,1,0,0,0|2,0,0]=4 6458 B17R0.192 CCCCCCCCCNCC(C)CSC(=O)C 34a_100000212291_200000116872 [0,1,1,0,0,0|2,0,0]=4 6459 B17R0.192 CCCCCCCCCNCC(O)COC(=O)C 34a_100000212291_200000139349 [0,1,1,0,0,0|2,0,0]=4 6460 B17R0.192 CCCCCCCCCOCC(C)CSC(=O)C 34a_100000210712_200000116872 [0,1,1,0,0,0|2,0,0]=4 6461 B17R0.192 CCCCCCCCCOCC(C)CSC(=O)C 7a_100000210712_200000116872 [0,1,1,0,0,0|2,0,0]=4 6462 B17R0.192 CCCCCCCCCOCC(O)COC(=O)C 34a_100000210712_200000139349 [0,1,1,0,0,0|2,0,0]=4 6463 B17R0.192 CCCCCCCCCOCC(O)COC(=O)C 7a_100000210712_200000139349 [0,1,1,0,0,0|2,0,0]=4 6464 B17R0.192 CCCCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210670 [0,1,1,0,0,0|2,0,0]=4 6465 B17R0.192 CCCCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210670 [0,1,1,0,0,0|2,0,0]=4 6466 B17R0.195 C#CC(=O)CCCCCCCCCCCCCC 1458a_100000211873_100011215471 [0,1,1,0,0,0|0,0,1]=3 6467 B17R0.195 C#CC(=O)CCCCCCCCCCCCCO 1458a_100000211873_100009812470 [0,1,1,0,0,0|1,0,1]=4 6468 B17R0.195 C=CC(=O)CCCCCCCCCCCCCC 1458a_100000185746_100011215471 [0,1,1,0,0,0|0,0,1]=3 6469 B17R0.195 C=CC(=O)CCCCCCCCCCCCCO 1458a_100000185746_100009812470 [0,1,1,0,0,0|1,0,1]=4 6470 B17R0.195 C=CC(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000185746 [0,1,1,0,0,0|1,0,1]=4 6471 B17R0.195 C=CC(=O)NCCCCCCCCCCCCC 240690a_100011215765_200121576911 [0,1,1,0,0,0|1,0,1]=4 6472 B17R0.195 C=CCCCCCCCCCCCNC(C)CC 2230a_100000209981_102130925996 [0,1,1,0,0,0|2,0,0]=4 6473 B17R0.195 C=CCCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_102130925996 [0,1,1,0,0,0|2,0,0]=4 6474 B17R0.195 C=CCCCCCCCCCCCOC(C)CC 7a_100000210228_102130925996 [0,1,1,0,0,0|2,0,0]=4 6475 B17R0.195 C=CCCCCCCCCCCCOC(C)CF 34a_100016041109_102130925996 [0,1,1,0,0,0|2,0,0]=4 6476 B17R0.195 C=CCCCCCCCCCCCOC(C)CF 7a_100016041109_102130925996 [0,1,1,0,0,0|2,0,0]=4 6477 B17R0.195 C=CCCCCCCCCCCCOC(C)CN 34a_100000210904_102130925996 [0,1,1,0,0,0|2,0,0]=4 6478 B17R0.195 C=CCCCCCCCCCCCSC(C)CO 62a_100012180447_102130925996 [0,1,1,0,0,0|2,0,0]=4 6479 B17R0.195 C=CCCCCCCCCCCCSC(C)OC 62a_100009879195_102130925996 [0,1,1,0,0,0|2,0,0]=4 6480 B17R0.195 C=CCCCCCCCCCCCSC(C)OC 62a_102130925996_100009879195 [0,1,1,0,0,0|2,0,0]=4 6481 B17R0.195 C=CCCCCCCCCCCCS[C@H](C)CO 62a_100016084084_102130925996 [0,1,1,0,0,0|2,0,0]=4 6482 B17R0.195 C=CCCCCCCCCCCCS[C@H](C)CO 62a_102130925996_100016084084 [0,1,1,0,0,0|2,0,0]=4 6483 B17R0.195 C=CCCCCCCCCCCNCC(C)CC 2230a_100020588543_100011093070 [0,1,1,0,0,0|2,0,0]=4 6484 B17R0.195 C=CCCCCCCCCCCNCC(C)CO 34a_100000744482_100011093070 [0,1,1,0,0,0|2,0,0]=4 6485 B17R0.195 C=CCCCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011093070 [0,1,1,0,0,0|2,0,0]=4 6486 B17R0.195 C=CCCCCCCCCCCOCC(C)CN 34a_100000744482_100011093070 [0,1,1,0,0,0|2,0,0]=4 6487 B17R0.195 C=CCCCCCCCCCCOCC(C)OC 34a_100000690652_100011093070 [0,1,1,0,0,0|2,0,0]=4 6488 B17R0.195 C=CCCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100011093070 [0,1,1,0,0,0|2,0,0]=4 6489 B17R0.195 C=CCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100011093070 [0,1,1,0,0,0|2,0,0]=4 6490 B17R0.195 C=CCCCCCCCCCCSC[C@@H](C)CO 62a_100011093070_100000059175 [0,1,1,0,0,0|2,0,0]=4 6491 B17R0.195 C=CCCCCCCCCCNCCC(C)CC 2230a_100020591266_100009814027 [0,1,1,0,0,0|2,0,0]=4 6492 B17R0.195 C=CCCCCCCCCCNCCC(C)CO 2230a_106354213184_100009814027 [0,1,1,0,0,0|2,0,0]=4 6493 B17R0.195 C=CCCCCCCCCCNCCC(C)CO 34a_106354213184_100009814027 [0,1,1,0,0,0|2,0,0]=4 6494 B17R0.195 C=CCCCCCCCCCOCCC(C)CC 7a_100011215188_100009814027 [0,1,1,0,0,0|2,0,0]=4 6495 B17R0.195 C=CCCCCCCCCCOCCC(C)OC 7a_100000764861_100009814027 [0,1,1,0,0,0|2,0,0]=4 6496 B17R0.195 C=CCCCCCCCCOCCCC(C)CC 7a_100011216074_100011933949 [0,1,1,0,0,0|2,0,0]=4 6497 B17R0.195 C=CCCCCCCCCOCCC[C@@H](C)CN 34a_100160569302_100011933949 [0,1,1,0,0,0|2,0,0]=4 6498 B17R0.195 C=CCCCCCCOCCCCCC(C)CC 7a_200000035636_100011215473 [0,1,1,0,0,0|2,0,0]=4 6499 B17R0.195 CCC(=O)CCCCCCCCCCCCCO 1458a_100000210414_100009812470 [0,1,1,0,0,0|1,0,0]=3 6500 B17R0.195 CCC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000747405 [0,1,1,0,0,0|2,0,0]=4 6501 B17R0.195 CCC(=O)COCCCCCCCCCCCO 34a_100000725409_100009812471 [0,1,1,0,0,0|2,0,0]=4 6502 B17R0.195 CCC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747405 [0,1,1,0,0,0|2,0,0]=4 6503 B17R0.195 CCC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000210414 [0,1,1,0,0,0|2,0,0]=4 6504 B17R0.195 CCCCCCCCCCCCCCC(=O)CF 1458a_100000297455_100015361967 [0,1,1,0,0,0|0,0,0]=2 6505 B17R0.195 CCCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215471 [0,1,1,0,0,0|0,0,0]=2 6506 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000297455 [0,1,1,0,0,0|0,0,0]=2 6507 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000297455 [0,1,1,0,0,0|0,0,0]=2 6508 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000297455 [0,1,1,0,0,0|0,0,0]=2 6509 B17R0.195 CCCCCCCCCCCCCCN(C)CC 2230a_100000225621_100011215471 [0,1,1,0,0,0|2,0,0]=4 6510 B17R0.195 CCCCCCCCCCCCCCN(C)CC 269982a_100000225621_100011215471 [0,1,1,0,0,0|2,0,0]=4 6511 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 11a_100011215765_100000210414 [0,1,1,0,0,0|1,0,0]=3 6512 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 1626a_100011215765_100000210414 [0,1,1,0,0,0|1,0,0]=3 6513 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 240690a_100011215765_100000210414 [0,1,1,0,0,0|1,0,0]=3 6514 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 527a_100011215765_100000210414 [0,1,1,0,0,0|1,0,0]=3 6515 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 240690a_100011215765_100000210174 [0,1,1,0,0,0|1,0,0]=3 6516 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 527a_100011215765_100000210174 [0,1,1,0,0,0|1,0,0]=3 6517 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 2708a_100011215765_106832991635 [0,1,1,0,0,0|1,0,0]=3 6518 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100011215765 [0,1,1,0,0,0|1,0,0]=3 6519 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 273464a_100011215765_100102657272 [0,1,1,0,0,0|1,0,0]=3 6520 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100011215765 [0,1,1,0,0,0|1,0,0]=3 6521 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 512a_100011215765_100102657272 [0,1,1,0,0,0|1,0,0]=3 6522 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 512a_106832991638_100011215765 [0,1,1,0,0,0|1,0,0]=3 6523 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 2230a_100000210451_100000183359 [0,1,1,0,0,0|1,0,0]=3 6524 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100011215052 [0,1,1,0,0,0|1,0,0]=3 6525 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 270004a_100000693194_100011218549 [0,1,1,0,0,0|1,0,0]=3 6526 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 34a_100000210451_100000183359 [0,1,1,0,0,0|1,0,0]=3 6527 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 2230a_100000210451_100000747449 [0,1,1,0,0,0|1,0,0]=3 6528 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 34a_100000210451_100000747449 [0,1,1,0,0,0|1,0,0]=3 6529 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 34a_100000725409_100000759014 [0,1,1,0,0,0|1,0,0]=3 6530 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 7a_100000210810_100000747405 [0,1,1,0,0,0|1,0,0]=3 6531 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 34a_100000210810_100000183359 [0,1,1,0,0,0|1,0,0]=3 6532 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 34a_100000750040_100000759014 [0,1,1,0,0,0|1,0,0]=3 6533 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 7a_100000210810_100000183359 [0,1,1,0,0,0|1,0,0]=3 6534 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 34a_100000210810_100000747449 [0,1,1,0,0,0|1,0,0]=3 6535 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 7a_100000210810_100000747449 [0,1,1,0,0,0|1,0,0]=3 6536 B17R0.195 CCCCCCCCCCCCSCC(=O)CC 62a_100000747405_100000759014 [0,1,1,0,0,0|1,0,0]=3 6537 B17R0.195 CCCCCCCCCCCCSCC(=O)NC 62a_100000183359_100000759014 [0,1,1,0,0,0|1,0,0]=3 6538 B17R0.195 CCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100000759014 [0,1,1,0,0,0|1,0,0]=3 6539 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011215454 [0,1,1,0,0,0|1,0,0]=3 6540 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 2230a_200011215754_100000737683 [0,1,1,0,0,0|1,0,0]=3 6541 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 34a_100000738227_100011215454 [0,1,1,0,0,0|1,0,0]=3 6542 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 34a_200011215754_100012179268 [0,1,1,0,0,0|1,0,0]=3 6543 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 2230a_200011215754_100000204255 [0,1,1,0,0,0|1,0,0]=3 6544 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 34a_200011215754_100000742370 [0,1,1,0,0,0|1,0,0]=3 6545 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 34a_100000210809_100012179268 [0,1,1,0,0,0|1,0,0]=3 6546 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 34a_100000754576_100011215454 [0,1,1,0,0,0|1,0,0]=3 6547 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 7a_100000210809_100000737683 [0,1,1,0,0,0|1,0,0]=3 6548 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 34a_100000210809_100000742370 [0,1,1,0,0,0|1,0,0]=3 6549 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 7a_100000210809_100000204255 [0,1,1,0,0,0|1,0,0]=3 6550 B17R0.195 CCCCCCCCCCCSCCC(=O)NC 62a_100000737683_100011215454 [0,1,1,0,0,0|1,0,0]=3 6551 B17R0.195 CCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100011215454 [0,1,1,0,0,0|1,0,0]=3 6552 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 2230a_100000684558_100000741757 [0,1,1,0,0,0|1,0,0]=3 6553 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210320 [0,1,1,0,0,0|1,0,0]=3 6554 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 34a_100000684558_100000741757 [0,1,1,0,0,0|1,0,0]=3 6555 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210320 [0,1,1,0,0,0|1,0,0]=3 6556 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 2230a_100000684558_100011218270 [0,1,1,0,0,0|1,0,0]=3 6557 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 34a_100000684558_100000742333 [0,1,1,0,0,0|1,0,0]=3 6558 B17R0.195 CCCCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210320 [0,1,1,0,0,0|2,0,0]=4 6559 B17R0.195 CCCCCCCCCCNCCNC(=O)NC 34a_100015205895_100000210320 [0,1,1,0,0,0|2,0,0]=4 6560 B17R0.195 CCCCCCCCCCNCCOC(=O)NC 34a_100000684558_200011997002 [0,1,1,0,0,0|2,0,0]=4 6561 B17R0.195 CCCCCCCCCCOCCCC(=O)NC 34a_100000210711_100000741757 [0,1,1,0,0,0|1,0,0]=3 6562 B17R0.195 CCCCCCCCCCOCCCC(=O)NC 7a_100000210711_100000741757 [0,1,1,0,0,0|1,0,0]=3 6563 B17R0.195 CCCCCCCCCCOCCCC(=O)NN 34a_100000211488_100000210320 [0,1,1,0,0,0|2,0,0]=4 6564 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 34a_100000210711_100000742333 [0,1,1,0,0,0|1,0,0]=3 6565 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 7a_100000210711_100011218270 [0,1,1,0,0,0|1,0,0]=3 6566 B17R0.195 CCCCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210320 [0,1,1,0,0,0|2,0,0]=4 6567 B17R0.195 CCCCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210320 [0,1,1,0,0,0|2,0,0]=4 6568 B17R0.195 CCCCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210320 [0,1,1,0,0,0|2,0,0]=4 6569 B17R0.195 CCCCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210320 [0,1,1,0,0,0|2,0,0]=4 6570 B17R0.195 CCCCCCCCCCOCCOC(=O)NC 34a_100000210711_200011997002 [0,1,1,0,0,0|2,0,0]=4 6571 B17R0.195 CCCCCCCCCCOCCOC(=O)NC 7a_100000210711_200011997002 [0,1,1,0,0,0|2,0,0]=4 6572 B17R0.195 CCCCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210320 [0,1,1,0,0,0|2,0,0]=4 6573 B17R0.195 CCCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210320 [0,1,1,0,0,0|1,0,0]=3 6574 B17R0.195 CCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210320 [0,1,1,0,0,0|1,0,0]=3 6575 B17R0.195 CCCCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210320 [0,1,1,0,0,0|2,0,0]=4 6576 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 2230a_100000212291_100000204269 [0,1,1,0,0,0|1,0,0]=3 6577 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 34a_100000212291_100000204269 [0,1,1,0,0,0|1,0,0]=3 6578 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 2230a_100000212291_100000090808 [0,1,1,0,0,0|2,0,0]=4 6579 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 34a_100000212291_100000090808 [0,1,1,0,0,0|2,0,0]=4 6580 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100011214924 [0,1,1,0,0,0|1,0,0]=3 6581 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000210712_100000204269 [0,1,1,0,0,0|1,0,0]=3 6582 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210328 [0,1,1,0,0,0|1,0,0]=3 6583 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000210712_100000204269 [0,1,1,0,0,0|1,0,0]=3 6584 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 34a_100000210712_100000090808 [0,1,1,0,0,0|2,0,0]=4 6585 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 7a_100000210712_100000090808 [0,1,1,0,0,0|2,0,0]=4 6586 B17R0.195 CCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210670 [0,1,1,0,0,0|1,0,0]=3 6587 B17R0.195 CCCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210670 [0,1,1,0,0,0|2,0,0]=4 6588 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 2230a_100000229939_100009816466 [0,1,1,0,0,0|1,0,0]=3 6589 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 34a_100000229939_100009816466 [0,1,1,0,0,0|1,0,0]=3 6590 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210759 [0,1,1,0,0,0|1,0,0]=3 6591 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000210232_100009816466 [0,1,1,0,0,0|1,0,0]=3 6592 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210759 [0,1,1,0,0,0|1,0,0]=3 6593 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000210232_100009816466 [0,1,1,0,0,0|1,0,0]=3 6594 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100000210759_100009816466 [0,1,1,0,0,0|1,0,0]=3 6595 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210317 [0,1,1,0,0,0|1,0,0]=3 6596 B17R0.195 CCCCCCCNCCCCCCC(=O)OC 2230a_100000229938_100009815986 [0,1,1,0,0,0|1,0,0]=3 6597 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100000210272_100009815986 [0,1,1,0,0,0|1,0,0]=3 6598 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210614 [0,1,1,0,0,0|1,0,0]=3 6599 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100000210272_100009815986 [0,1,1,0,0,0|1,0,0]=3 6600 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210614 [0,1,1,0,0,0|1,0,0]=3 6601 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100000210614_100009815986 [0,1,1,0,0,0|1,0,0]=3 6602 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210316 [0,1,1,0,0,0|1,0,0]=3 6603 B17R0.195 CCCCCCNCCCCCCCC(=O)OC 2230a_100000210581_100010004213 [0,1,1,0,0,0|1,0,0]=3 6604 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100000210259_100010004213 [0,1,1,0,0,0|1,0,0]=3 6605 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210314 [0,1,1,0,0,0|1,0,0]=3 6606 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100000210259_100010004213 [0,1,1,0,0,0|1,0,0]=3 6607 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210314 [0,1,1,0,0,0|1,0,0]=3 6608 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 34a_100000691444_100000204269 [0,1,1,0,0,0|2,0,0]=4 6609 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 7a_100000691444_100000204269 [0,1,1,0,0,0|2,0,0]=4 6610 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100000210314_100010004213 [0,1,1,0,0,0|1,0,0]=3 6611 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210757 [0,1,1,0,0,0|1,0,0]=3 6612 B17R0.195 CCCCCNCCCCCCCCC(=O)OC 2230a_100000209983_100010282707 [0,1,1,0,0,0|1,0,0]=3 6613 B17R0.195 CCCCCNCCOCCCCCC(=O)OC 34a_100000224656_100009816466 [0,1,1,0,0,0|2,0,0]=4 6614 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000718602 [0,1,1,0,0,0|1,0,0]=3 6615 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000210253_100010282707 [0,1,1,0,0,0|1,0,0]=3 6616 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210326 [0,1,1,0,0,0|1,0,0]=3 6617 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000210253_100010282707 [0,1,1,0,0,0|1,0,0]=3 6618 B17R0.195 CCCCCOCCOCCCCCC(=O)OC 34a_100011215259_100009816466 [0,1,1,0,0,0|2,0,0]=4 6619 B17R0.195 CCCCCOCCOCCCCCC(=O)OC 7a_100011215259_100009816466 [0,1,1,0,0,0|2,0,0]=4 6620 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100000210326_100010282707 [0,1,1,0,0,0|1,0,0]=3 6621 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210326 [0,1,1,0,0,0|1,0,0]=3 6622 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 2230a_100000102301_100009813843 [0,1,1,0,0,0|1,0,0]=3 6623 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 7a_106832991798_100009813843 [0,1,1,0,0,0|1,0,0]=3 6624 B17R0.195 CCCCNCCCCOCCCCC(=O)OC 34a_200011216965_100000204269 [0,1,1,0,0,0|2,0,0]=4 6625 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 34a_100000210227_100009813843 [0,1,1,0,0,0|1,0,0]=3 6626 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 7a_100000210227_100009813843 [0,1,1,0,0,0|1,0,0]=3 6627 B17R0.195 CCCCOCCCCOCCCCC(=O)OC 34a_200000760531_100000204269 [0,1,1,0,0,0|2,0,0]=4 6628 B17R0.195 CCCCOCCCCOCCCCC(=O)OC 7a_200000760531_100000204269 [0,1,1,0,0,0|2,0,0]=4 6629 B17R0.195 CCCCOCCCNCCCCCC(=O)OC 2230a_200000211371_100009816466 [0,1,1,0,0,0|2,0,0]=4 6630 B17R0.195 CCCCOCCCNCCCCCC(=O)OC 34a_200000211371_100009816466 [0,1,1,0,0,0|2,0,0]=4 6631 B17R0.195 CCCCOCCCOCCCCCC(=O)OC 34a_200011215613_100009816466 [0,1,1,0,0,0|2,0,0]=4 6632 B17R0.195 CCCCOCCCOCCCCCC(=O)OC 7a_200011215613_100009816466 [0,1,1,0,0,0|2,0,0]=4 6633 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 34a_100000210238_100009815986 [0,1,1,0,0,0|2,0,0]=4 6634 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 34a_100009863599_100000743108 [0,1,1,0,0,0|2,0,0]=4 6635 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 7a_100000210238_100009815986 [0,1,1,0,0,0|2,0,0]=4 6636 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 7a_100009863599_100000743108 [0,1,1,0,0,0|2,0,0]=4 6637 B17R0.195 CCCCOCCSCCCCCCC(=O)OC 62a_100000743108_100009815986 [0,1,1,0,0,0|2,0,0]=4 6638 B17R0.195 CCCCOCCSCCCCCCC(=O)OC 62a_100009815986_100000743108 [0,1,1,0,0,0|2,0,0]=4 6639 B17R0.195 CCCCOCOCCCCCCCC(=O)OC 34a_100011022521_100011995733 [0,1,1,0,0,0|2,0,0]=4 6640 B17R0.195 CCCCOCSCCCCCCCC(=O)OC 62a_100010004213_100011995733 [0,1,1,0,0,0|2,0,0]=4 6641 B17R0.195 CCCCOCSCCCCCCCC(=O)OC 62a_100011995733_100010004213 [0,1,1,0,0,0|2,0,0]=4 6642 B17R0.195 CCCCSCCCCCCCCCC(=O)OC 62a_100000210211_100009813843 [0,1,1,0,0,0|1,0,0]=3 6643 B17R0.195 CCCCSCCNCCCCCCC(=O)OC 2230a_100025743550_100009815986 [0,1,1,0,0,0|2,0,0]=4 6644 B17R0.195 CCCCSCCOCCCCCCC(=O)OC 34a_200000230436_100009815986 [0,1,1,0,0,0|2,0,0]=4 6645 B17R0.195 CCCCSCCOCCCCCCC(=O)OC 7a_200000230436_100009815986 [0,1,1,0,0,0|2,0,0]=4 6646 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100000210258_100009812566 [0,1,1,0,0,0|1,0,0]=3 6647 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210303 [0,1,1,0,0,0|1,0,0]=3 6648 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210303 [0,1,1,0,0,0|1,0,0]=3 6649 B17R0.195 CCCOCCCNCCCCCCC(=O)OC 2230a_100011217757_100009815986 [0,1,1,0,0,0|2,0,0]=4 6650 B17R0.195 CCCOCCCNCCCCCCC(=O)OC 34a_100011217757_100009815986 [0,1,1,0,0,0|2,0,0]=4 6651 B17R0.195 CCCOCCNCCCCCCCC(=O)OC 2230a_100161115042_100010004213 [0,1,1,0,0,0|2,0,0]=4 6652 B17R0.195 CCCOCCNCCCCCCCC(=O)OC 34a_100161115042_100010004213 [0,1,1,0,0,0|2,0,0]=4 6653 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 34a_100000752267_100010004213 [0,1,1,0,0,0|2,0,0]=4 6654 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 34a_100011022521_100011215938 [0,1,1,0,0,0|2,0,0]=4 6655 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 7a_100000752267_100010004213 [0,1,1,0,0,0|2,0,0]=4 6656 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 7a_100011022521_100011215938 [0,1,1,0,0,0|2,0,0]=4 6657 B17R0.195 CCCOCCSCCCCCCCC(=O)OC 62a_100010004213_100011215938 [0,1,1,0,0,0|2,0,0]=4 6658 B17R0.195 CCCOCCSCCCCCCCC(=O)OC 62a_100011215938_100010004213 [0,1,1,0,0,0|2,0,0]=4 6659 B17R0.195 CCCSCCCCCCCCCCC(=O)OC 62a_100000210303_100009812566 [0,1,1,0,0,0|1,0,0]=3 6660 B17R0.195 CCCSCCNCCCCCCCC(=O)OC 2230a_100020603323_100010004213 [0,1,1,0,0,0|2,0,0]=4 6661 B17R0.195 CCCSCCOCCCCCCCC(=O)OC 34a_200000230433_100010004213 [0,1,1,0,0,0|2,0,0]=4 6662 B17R0.195 CCCSCCOCCCCCCCC(=O)OC 7a_200000230433_100010004213 [0,1,1,0,0,0|2,0,0]=4 6663 B17R0.195 CCNCCCCCCCCCCCC(=O)OC 2230a_100015525214_100010983606 [0,1,1,0,0,0|1,0,0]=3 6664 B17R0.195 CCOCCCCCCCCCCCC(=O)OC 34a_100121572206_100010983606 [0,1,1,0,0,0|1,0,0]=3 6665 B17R0.195 CCOCCCCCCCCCOCC(=O)CC 7a_100009875440_100000747405 [0,1,1,0,0,0|2,0,0]=4 6666 B17R0.195 CCOCCCCCCCCCOCC(=O)NC 34a_100009875440_100000183359 [0,1,1,0,0,0|2,0,0]=4 6667 B17R0.195 CCOCCCCCCCCCOCC(=O)NC 7a_100009875440_100000183359 [0,1,1,0,0,0|2,0,0]=4 6668 B17R0.195 CCOCCCCCCCCCOCC(=O)OC 34a_100009875440_100000747449 [0,1,1,0,0,0|2,0,0]=4 6669 B17R0.195 CCOCCCCCCCCCOCC(=O)OC 7a_100009875440_100000747449 [0,1,1,0,0,0|2,0,0]=4 6670 B17R0.195 CCOCCCNCCCCCCCC(=O)OC 2230a_100000210961_100010004213 [0,1,1,0,0,0|2,0,0]=4 6671 B17R0.195 CCOCCCNCCCCCCCC(=O)OC 34a_100000210961_100010004213 [0,1,1,0,0,0|2,0,0]=4 6672 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 34a_100000757476_100010004213 [0,1,1,0,0,0|2,0,0]=4 6673 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 34a_100011022521_100012232248 [0,1,1,0,0,0|2,0,0]=4 6674 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 7a_100000757476_100010004213 [0,1,1,0,0,0|2,0,0]=4 6675 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 7a_100011022521_100012232248 [0,1,1,0,0,0|2,0,0]=4 6676 B17R0.195 CCOCCCSCCCCCCCC(=O)OC 62a_100010004213_100012232248 [0,1,1,0,0,0|2,0,0]=4 6677 B17R0.195 CCOCCCSCCCCCCCC(=O)OC 62a_100012232248_100010004213 [0,1,1,0,0,0|2,0,0]=4 6678 B17R0.195 CCOCCNCCCCCCCCC(=O)OC 2230a_102516460346_100010282707 [0,1,1,0,0,0|2,0,0]=4 6679 B17R0.195 CCOCCNCCCCCCCCC(=O)OC 34a_102516460346_100010282707 [0,1,1,0,0,0|2,0,0]=4 6680 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210147 [0,1,1,0,0,0|2,0,0]=4 6681 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 34a_100000210136_100010282707 [0,1,1,0,0,0|2,0,0]=4 6682 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 7a_100000035544_100011215890 [0,1,1,0,0,0|2,0,0]=4 6683 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 7a_100000210136_100010282707 [0,1,1,0,0,0|2,0,0]=4 6684 B17R0.195 CCOCCSCCCCCCCCC(=O)OC 62a_100000210147_100010282707 [0,1,1,0,0,0|2,0,0]=4 6685 B17R0.195 CCOCCSCCCCCCCCC(=O)OC 62a_100010282707_100011215890 [0,1,1,0,0,0|2,0,0]=4 6686 B17R0.195 CCOCSCCCCCCCCCC(=O)OC 62a_100000739092_100009813843 [0,1,1,0,0,0|2,0,0]=4 6687 B17R0.195 CCSCCCCCCCCCCCC(=O)OC 62a_100000210202_100010983606 [0,1,1,0,0,0|1,0,0]=3 6688 B17R0.195 CCSCCCOCCCCCCCC(=O)OC 34a_100011216438_100010004213 [0,1,1,0,0,0|2,0,0]=4 6689 B17R0.195 CCSCCCOCCCCCCCC(=O)OC 7a_100011216438_100010004213 [0,1,1,0,0,0|2,0,0]=4 6690 B17R0.195 CCSCCNCCCCCCCCC(=O)OC 2230a_100000106463_100010282707 [0,1,1,0,0,0|2,0,0]=4 6691 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 34a_100000035544_100000757381 [0,1,1,0,0,0|2,0,0]=4 6692 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 34a_100000212035_100010282707 [0,1,1,0,0,0|2,0,0]=4 6693 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 7a_100000035544_100000757381 [0,1,1,0,0,0|2,0,0]=4 6694 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 7a_100000212035_100010282707 [0,1,1,0,0,0|2,0,0]=4 6695 B17R0.195 CCSCCSCCCCCCCCC(=O)OC 62a_100000757381_100010282707 [0,1,1,0,0,0|2,0,0]=4 6696 B17R0.195 CCSCCSCCCCCCCCC(=O)OC 62a_100010282707_100000757381 [0,1,1,0,0,0|2,0,0]=4 6697 B17R0.195 CNC(=O)CCCCCCCCCCCCCO 240690a_100102657272_100020644313 [0,1,1,0,0,0|1,0,0]=3 6698 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 2230a_100000078944_100000741757 [0,1,1,0,0,0|2,0,0]=4 6699 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 2230a_100000740002_100009813782 [0,1,1,0,0,0|2,0,0]=4 6700 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000741757 [0,1,1,0,0,0|2,0,0]=4 6701 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 34a_100000740002_100009813782 [0,1,1,0,0,0|2,0,0]=4 6702 B17R0.195 CNC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000741757 [0,1,1,0,0,0|2,0,0]=4 6703 B17R0.195 CNC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100000741757 [0,1,1,0,0,0|2,0,0]=4 6704 B17R0.195 CNC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000741757 [0,1,1,0,0,0|2,0,0]=4 6705 B17R0.195 CNC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100000741757 [0,1,1,0,0,0|2,0,0]=4 6706 B17R0.195 CNC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000741757 [0,1,1,0,0,0|2,0,0]=4 6707 B17R0.195 CNC(=O)CCCSCCCCCCCCCO 62a_100000741757_100009813782 [0,1,1,0,0,0|2,0,0]=4 6708 B17R0.195 CNC(=O)CCCSCCCCCCCCCO 62a_100009813782_100000741757 [0,1,1,0,0,0|2,0,0]=4 6709 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000737683 [0,1,1,0,0,0|2,0,0]=4 6710 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 2230a_100000738227_100009813290 [0,1,1,0,0,0|2,0,0]=4 6711 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 34a_100000066964_100012179268 [0,1,1,0,0,0|2,0,0]=4 6712 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 34a_100000738227_100009813290 [0,1,1,0,0,0|2,0,0]=4 6713 B17R0.195 CNC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100012179268 [0,1,1,0,0,0|2,0,0]=4 6714 B17R0.195 CNC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000737683 [0,1,1,0,0,0|2,0,0]=4 6715 B17R0.195 CNC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100012179268 [0,1,1,0,0,0|2,0,0]=4 6716 B17R0.195 CNC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000737683 [0,1,1,0,0,0|2,0,0]=4 6717 B17R0.195 CNC(=O)CCOCCCCCCCCCCN 34a_100000066964_100012179268 [0,1,1,0,0,0|2,0,0]=4 6718 B17R0.195 CNC(=O)CCOCCCCCCCCCCO 34a_100000754576_100009813290 [0,1,1,0,0,0|2,0,0]=4 6719 B17R0.195 CNC(=O)CCSCCCCCCCCCCO 62a_100000737683_200000033068 [0,1,1,0,0,0|2,0,0]=4 6720 B17R0.195 CNC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000737683 [0,1,1,0,0,0|2,0,0]=4 6721 B17R0.195 CNC(=O)CNCCCCCCCCCCCO 2230a_100000693194_100009812471 [0,1,1,0,0,0|2,0,0]=4 6722 B17R0.195 CNC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000183359 [0,1,1,0,0,0|2,0,0]=4 6723 B17R0.195 CNC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000183359 [0,1,1,0,0,0|2,0,0]=4 6724 B17R0.195 CNC(=O)COCCCCCCCCCCCO 34a_100000750040_100009812471 [0,1,1,0,0,0|2,0,0]=4 6725 B17R0.195 CNC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000183359 [0,1,1,0,0,0|2,0,0]=4 6726 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 2708a_100000066677_106832991635 [0,1,1,0,0,0|2,0,0]=4 6727 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 2708a_100102657272_100000066677 [0,1,1,0,0,0|2,0,0]=4 6728 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 273464a_100000066677_100102657272 [0,1,1,0,0,0|2,0,0]=4 6729 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 273464a_100102657272_100000066677 [0,1,1,0,0,0|2,0,0]=4 6730 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 512a_100000066677_100102657272 [0,1,1,0,0,0|2,0,0]=4 6731 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 512a_106832991638_100000066677 [0,1,1,0,0,0|2,0,0]=4 6732 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 2230a_106832991635_209314222159 [0,1,1,0,0,0|1,0,0]=3 6733 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 34a_100102657272_209314222159 [0,1,1,0,0,0|1,0,0]=3 6734 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 7a_106832991635_209314222159 [0,1,1,0,0,0|1,0,0]=3 6735 B17R0.195 CNCCCCCOCCCCCCC(=O)OC 34a_100000722520_100009815986 [0,1,1,0,0,0|2,0,0]=4 6736 B17R0.195 CNCCCOCCCCCCCCC(=O)OC 34a_100000213112_100010282707 [0,1,1,0,0,0|2,0,0]=4 6737 B17R0.195 COC(=O)CCCCCCCCCCCCSC 62a_200000210301_209314222159 [0,1,1,0,0,0|1,0,0]=3 6738 B17R0.195 COC(=O)CCCCCCCCCCCCS[13CH3] 62a_200025704644_209314222159 [0,1,1,0,0,0|1,0,0]=3 6739 B17R0.195 COC(=O)CCCCCCCCCCCSCF 62a_100015361967_100010983606 [0,1,1,0,0,0|2,0,0]=4 6740 B17R0.195 COC(=O)CCCCCCCCCCNCCF 34a_100000724931_100009812566 [0,1,1,0,0,0|2,0,0]=4 6741 B17R0.195 COC(=O)CCCCCCCCCCNCCO 2230a_100016997473_100009812566 [0,1,1,0,0,0|2,0,0]=4 6742 B17R0.195 COC(=O)CCCCCCCCCCNCCO 34a_100016990907_100009812566 [0,1,1,0,0,0|2,0,0]=4 6743 B17R0.195 COC(=O)CCCCCCCCCCOCCBr 34a_100000211926_100009812566 [0,1,1,0,0,0|2,0,0]=4 6744 B17R0.195 COC(=O)CCCCCCCCCCOCCF 34a_100011003013_100011217306 [0,1,1,0,0,0|2,0,0]=4 6745 B17R0.195 COC(=O)CCCCCCCCCCOCCF 7a_100011003013_100011217306 [0,1,1,0,0,0|2,0,0]=4 6746 B17R0.195 COC(=O)CCCCCCCCCCOCCN 34a_100000210304_100009812566 [0,1,1,0,0,0|2,0,0]=4 6747 B17R0.195 COC(=O)CCCCCCCCCCOCCO 34a_100011003013_100000211926 [0,1,1,0,0,0|2,0,0]=4 6748 B17R0.195 COC(=O)CCCCCCCCCCOCCO 7a_100011003013_100000211926 [0,1,1,0,0,0|2,0,0]=4 6749 B17R0.195 COC(=O)CCCCCCCCCCOCSC 34a_100011003013_100011218213 [0,1,1,0,0,0|2,0,0]=4 6750 B17R0.195 COC(=O)CCCCCCCCCCSCCF 62a_100011217306_100009812566 [0,1,1,0,0,0|2,0,0]=4 6751 B17R0.195 COC(=O)CCCCCCCCCCSCCO 62a_100000211926_100009812566 [0,1,1,0,0,0|2,0,0]=4 6752 B17R0.195 COC(=O)CCCCCCCCCCSCSC 62a_100011218213_100009812566 [0,1,1,0,0,0|2,0,0]=4 6753 B17R0.195 COC(=O)CCCCCCCCCNCCCF 2230a_100015189416_100009813843 [0,1,1,0,0,0|2,0,0]=4 6754 B17R0.195 COC(=O)CCCCCCCCCNCCCF 34a_100015189416_100009813843 [0,1,1,0,0,0|2,0,0]=4 6755 B17R0.195 COC(=O)CCCCCCCCCNCCSC 2230a_100020590264_100009813843 [0,1,1,0,0,0|2,0,0]=4 6756 B17R0.195 COC(=O)CCCCCCCCCOCCCBr 34a_100011217188_100009813843 [0,1,1,0,0,0|2,0,0]=4 6757 B17R0.195 COC(=O)CCCCCCCCCOCCCCl 34a_100000230001_100009813843 [0,1,1,0,0,0|2,0,0]=4 6758 B17R0.195 COC(=O)CCCCCCCCCOCCCF 34a_100000759539_100009813843 [0,1,1,0,0,0|2,0,0]=4 6759 B17R0.195 COC(=O)CCCCCCCCCOCCCN 34a_100000182051_100009813843 [0,1,1,0,0,0|2,0,0]=4 6760 B17R0.195 COC(=O)CCCCCCCCCOCCSC 34a_100000230434_100009813843 [0,1,1,0,0,0|2,0,0]=4 6761 B17R0.195 COC(=O)CCCCCCCCCOCCSC 7a_100000230434_100009813843 [0,1,1,0,0,0|2,0,0]=4 6762 B17R0.195 COC(=O)CCCCCCCCCSCCCF 62a_100011934791_100009813843 [0,1,1,0,0,0|2,0,0]=4 6763 B17R0.195 COC(=O)CCCCCCCCCSCCCO 62a_100011215043_100009813843 [0,1,1,0,0,0|2,0,0]=4 6764 B17R0.195 COC(=O)CCCCCCCCCSCCSC 62a_100000212216_100009813843 [0,1,1,0,0,0|2,0,0]=4 6765 B17R0.195 COC(=O)CCCCCCCCNCCCCO 2230a_100000750430_100010282707 [0,1,1,0,0,0|2,0,0]=4 6766 B17R0.195 COC(=O)CCCCCCCCNCCCCO 34a_100000750430_100010282707 [0,1,1,0,0,0|2,0,0]=4 6767 B17R0.195 COC(=O)CCCCCCCCNCCCSC 2230a_100000749238_100010282707 [0,1,1,0,0,0|2,0,0]=4 6768 B17R0.195 COC(=O)CCCCCCCCOCCCCBr 34a_100011216708_100010282707 [0,1,1,0,0,0|2,0,0]=4 6769 B17R0.195 COC(=O)CCCCCCCCOCCCCCl 34a_100000210776_100010282707 [0,1,1,0,0,0|2,0,0]=4 6770 B17R0.195 COC(=O)CCCCCCCCOCCCCCl 7a_100000210776_100010282707 [0,1,1,0,0,0|2,0,0]=4 6771 B17R0.195 COC(=O)CCCCCCCCOCCCCF 34a_100000035544_100000729493 [0,1,1,0,0,0|2,0,0]=4 6772 B17R0.195 COC(=O)CCCCCCCCOCCCCF 34a_100011995726_100010282707 [0,1,1,0,0,0|2,0,0]=4 6773 B17R0.195 COC(=O)CCCCCCCCOCCCCF 7a_100000035544_100000729493 [0,1,1,0,0,0|2,0,0]=4 6774 B17R0.195 COC(=O)CCCCCCCCOCCCCF 7a_100011995726_100010282707 [0,1,1,0,0,0|2,0,0]=4 6775 B17R0.195 COC(=O)CCCCCCCCOCCCCI 34a_200012148704_100010282707 [0,1,1,0,0,0|2,0,0]=4 6776 B17R0.195 COC(=O)CCCCCCCCOCCCCN 34a_100000750430_100010282707 [0,1,1,0,0,0|2,0,0]=4 6777 B17R0.195 COC(=O)CCCCCCCCOCCCCO 34a_100000035544_100011216708 [0,1,1,0,0,0|2,0,0]=4 6778 B17R0.195 COC(=O)CCCCCCCCOCCCCO 7a_100000035544_100000210776 [0,1,1,0,0,0|2,0,0]=4 6779 B17R0.195 COC(=O)CCCCCCCCOCCCSC 34a_100000690336_100010282707 [0,1,1,0,0,0|2,0,0]=4 6780 B17R0.195 COC(=O)CCCCCCCCOCCCSC 7a_100000690336_100010282707 [0,1,1,0,0,0|2,0,0]=4 6781 B17R0.195 COC(=O)CCCCCCCCSCCCCF 62a_100000729493_100010282707 [0,1,1,0,0,0|2,0,0]=4 6782 B17R0.195 COC(=O)CCCCCCCCSCCCCF 62a_100010282707_100000729493 [0,1,1,0,0,0|2,0,0]=4 6783 B17R0.195 COC(=O)CCCCCCCCSCCCCO 62a_100000210776_100010282707 [0,1,1,0,0,0|2,0,0]=4 6784 B17R0.195 COC(=O)CCCCCCCCSCCCCO 62a_100010282707_100000210776 [0,1,1,0,0,0|2,0,0]=4 6785 B17R0.195 COC(=O)CCCCCCCNCCCCCO 2230a_100000762737_100010004213 [0,1,1,0,0,0|2,0,0]=4 6786 B17R0.195 COC(=O)CCCCCCCNCCCCCO 34a_100000762737_100010004213 [0,1,1,0,0,0|2,0,0]=4 6787 B17R0.195 COC(=O)CCCCCCCOCCCCCBr 34a_100000746331_100010004213 [0,1,1,0,0,0|2,0,0]=4 6788 B17R0.195 COC(=O)CCCCCCCOCCCCCBr 7a_100000746331_100010004213 [0,1,1,0,0,0|2,0,0]=4 6789 B17R0.195 COC(=O)CCCCCCCOCCCCCCl 34a_100000746330_100010004213 [0,1,1,0,0,0|2,0,0]=4 6790 B17R0.195 COC(=O)CCCCCCCOCCCCCCl 7a_100000746330_100010004213 [0,1,1,0,0,0|2,0,0]=4 6791 B17R0.195 COC(=O)CCCCCCCOCCCCCF 34a_100011022521_100000729378 [0,1,1,0,0,0|2,0,0]=4 6792 B17R0.195 COC(=O)CCCCCCCOCCCCCF 7a_100011022521_100000729378 [0,1,1,0,0,0|2,0,0]=4 6793 B17R0.195 COC(=O)CCCCCCCOCCCCCI 34a_200012148887_100010004213 [0,1,1,0,0,0|2,0,0]=4 6794 B17R0.195 COC(=O)CCCCCCCOCCCCCI 7a_200012148887_100010004213 [0,1,1,0,0,0|2,0,0]=4 6795 B17R0.195 COC(=O)CCCCCCCOCCCCCN 34a_100000762737_100010004213 [0,1,1,0,0,0|2,0,0]=4 6796 B17R0.195 COC(=O)CCCCCCCOCCCCCO 34a_100011022521_100000746330 [0,1,1,0,0,0|2,0,0]=4 6797 B17R0.195 COC(=O)CCCCCCCOCCCCCO 7a_100011022521_100000746330 [0,1,1,0,0,0|2,0,0]=4 6798 B17R0.195 COC(=O)CCCCCCCOCCCCSC 34a_100011217163_100010004213 [0,1,1,0,0,0|2,0,0]=4 6799 B17R0.195 COC(=O)CCCCCCCOCCCCSC 7a_100011217163_100010004213 [0,1,1,0,0,0|2,0,0]=4 6800 B17R0.195 COC(=O)CCCCCCCSCCCCCF 62a_100000729378_100010004213 [0,1,1,0,0,0|2,0,0]=4 6801 B17R0.195 COC(=O)CCCCCCCSCCCCCF 62a_100010004213_100000729378 [0,1,1,0,0,0|2,0,0]=4 6802 B17R0.195 COC(=O)CCCCCCCSCCCCCO 62a_100000746330_100010004213 [0,1,1,0,0,0|2,0,0]=4 6803 B17R0.195 COC(=O)CCCCCCCSCCCCCO 62a_100010004213_100000746330 [0,1,1,0,0,0|2,0,0]=4 6804 B17R0.195 COC(=O)CCCCCCNCCCCCCO 2230a_100000686447_100009815986 [0,1,1,0,0,0|2,0,0]=4 6805 B17R0.195 COC(=O)CCCCCCNCCCCCCO 34a_100000686447_100009815986 [0,1,1,0,0,0|2,0,0]=4 6806 B17R0.195 COC(=O)CCCCCCOCCCCCCBr 34a_100011215345_100009815986 [0,1,1,0,0,0|2,0,0]=4 6807 B17R0.195 COC(=O)CCCCCCOCCCCCCBr 7a_100011215345_100009815986 [0,1,1,0,0,0|2,0,0]=4 6808 B17R0.195 COC(=O)CCCCCCOCCCCCCCl 34a_100000766143_100009815986 [0,1,1,0,0,0|2,0,0]=4 6809 B17R0.195 COC(=O)CCCCCCOCCCCCCCl 7a_100000766143_100009815986 [0,1,1,0,0,0|2,0,0]=4 6810 B17R0.195 COC(=O)CCCCCCOCCCCCCF 34a_100000732779_100009815986 [0,1,1,0,0,0|2,0,0]=4 6811 B17R0.195 COC(=O)CCCCCCOCCCCCCF 34a_100009863599_100015922095 [0,1,1,0,0,0|2,0,0]=4 6812 B17R0.195 COC(=O)CCCCCCOCCCCCCF 7a_100000732779_100009815986 [0,1,1,0,0,0|2,0,0]=4 6813 B17R0.195 COC(=O)CCCCCCOCCCCCCF 7a_100009863599_100015922095 [0,1,1,0,0,0|2,0,0]=4 6814 B17R0.195 COC(=O)CCCCCCOCCCCCCN 34a_100000686447_100009815986 [0,1,1,0,0,0|2,0,0]=4 6815 B17R0.195 COC(=O)CCCCCCOCCCCCCO 34a_100009863599_100000766143 [0,1,1,0,0,0|2,0,0]=4 6816 B17R0.195 COC(=O)CCCCCCOCCCCCCO 7a_100009863599_100000766143 [0,1,1,0,0,0|2,0,0]=4 6817 B17R0.195 COC(=O)CCCCCCSCCCCCCF 62a_100009815986_100015922095 [0,1,1,0,0,0|2,0,0]=4 6818 B17R0.195 COC(=O)CCCCCCSCCCCCCF 62a_100015922095_100009815986 [0,1,1,0,0,0|2,0,0]=4 6819 B17R0.195 COC(=O)CCCCCCSCCCCCCO 62a_100000766143_100009815986 [0,1,1,0,0,0|2,0,0]=4 6820 B17R0.195 COC(=O)CCCCCCSCCCCCCO 62a_100009815986_100000766143 [0,1,1,0,0,0|2,0,0]=4 6821 B17R0.195 COC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009816466 [0,1,1,0,0,0|2,0,0]=4 6822 B17R0.195 COC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009816466 [0,1,1,0,0,0|2,0,0]=4 6823 B17R0.195 COC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009816466 [0,1,1,0,0,0|2,0,0]=4 6824 B17R0.195 COC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009816466 [0,1,1,0,0,0|2,0,0]=4 6825 B17R0.195 COC(=O)CCCCCOCCCCCCCN 34a_100011996573_100009816466 [0,1,1,0,0,0|2,0,0]=4 6826 B17R0.195 COC(=O)CCCCCOCCCCCCCO 34a_100000074720_100000760002 [0,1,1,0,0,0|2,0,0]=4 6827 B17R0.195 COC(=O)CCCCCOCCCCCCCO 7a_100000074720_100000760002 [0,1,1,0,0,0|2,0,0]=4 6828 B17R0.195 COC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009816466 [0,1,1,0,0,0|2,0,0]=4 6829 B17R0.195 COC(=O)CCCCCSCCCCCCCO 62a_100009816466_100000760002 [0,1,1,0,0,0|2,0,0]=4 6830 B17R0.195 COC(=O)CCCCNCCCCCCCCO 2230a_102515433106_100000204269 [0,1,1,0,0,0|2,0,0]=4 6831 B17R0.195 COC(=O)CCCCNCCCCCCCCO 34a_102515433106_100000204269 [0,1,1,0,0,0|2,0,0]=4 6832 B17R0.195 COC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100000204269 [0,1,1,0,0,0|2,0,0]=4 6833 B17R0.195 COC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000204269 [0,1,1,0,0,0|2,0,0]=4 6834 B17R0.195 COC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100000204269 [0,1,1,0,0,0|2,0,0]=4 6835 B17R0.195 COC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000204269 [0,1,1,0,0,0|2,0,0]=4 6836 B17R0.195 COC(=O)CCCCOCCCCCCCCN 34a_102515433106_100000204269 [0,1,1,0,0,0|2,0,0]=4 6837 B17R0.195 COC(=O)CCCCOCCCCCCCCO 34a_100000059025_100000033203 [0,1,1,0,0,0|2,0,0]=4 6838 B17R0.195 COC(=O)CCCCOCCCCCCCCO 7a_100000059025_100000033203 [0,1,1,0,0,0|2,0,0]=4 6839 B17R0.195 COC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000204269 [0,1,1,0,0,0|2,0,0]=4 6840 B17R0.195 COC(=O)CCCCSCCCCCCCCO 62a_100000204269_100000033203 [0,1,1,0,0,0|2,0,0]=4 6841 B17R0.195 COC(=O)CCCNCCCCCCCCCO 2230a_100000078944_100011218270 [0,1,1,0,0,0|2,0,0]=4 6842 B17R0.195 COC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000742333 [0,1,1,0,0,0|2,0,0]=4 6843 B17R0.195 COC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000742333 [0,1,1,0,0,0|2,0,0]=4 6844 B17R0.195 COC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011218270 [0,1,1,0,0,0|2,0,0]=4 6845 B17R0.195 COC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000742333 [0,1,1,0,0,0|2,0,0]=4 6846 B17R0.195 COC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011218270 [0,1,1,0,0,0|2,0,0]=4 6847 B17R0.195 COC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000742333 [0,1,1,0,0,0|2,0,0]=4 6848 B17R0.195 COC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011218270 [0,1,1,0,0,0|2,0,0]=4 6849 B17R0.195 COC(=O)CCCSCCCCCCCCCO 62a_100011218270_100009813782 [0,1,1,0,0,0|2,0,0]=4 6850 B17R0.195 COC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000204255 [0,1,1,0,0,0|2,0,0]=4 6851 B17R0.195 COC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000742370 [0,1,1,0,0,0|2,0,0]=4 6852 B17R0.195 COC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000742370 [0,1,1,0,0,0|2,0,0]=4 6853 B17R0.195 COC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000204255 [0,1,1,0,0,0|2,0,0]=4 6854 B17R0.195 COC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000742370 [0,1,1,0,0,0|2,0,0]=4 6855 B17R0.195 COC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000204255 [0,1,1,0,0,0|2,0,0]=4 6856 B17R0.195 COC(=O)CCOCCCCCCCCCCN 34a_100000066964_100000742370 [0,1,1,0,0,0|2,0,0]=4 6857 B17R0.195 COC(=O)CCSCCCCCCCCCCO 62a_100000204255_200000033068 [0,1,1,0,0,0|2,0,0]=4 6858 B17R0.195 COC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000204255 [0,1,1,0,0,0|2,0,0]=4 6859 B17R0.195 COC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000747449 [0,1,1,0,0,0|2,0,0]=4 6860 B17R0.195 COC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000747449 [0,1,1,0,0,0|2,0,0]=4 6861 B17R0.195 COC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747449 [0,1,1,0,0,0|2,0,0]=4 6862 B17R0.195 COCCCCCCCCCCCCC(=O)OC 34a_100138415774_209314222159 [0,1,1,0,0,0|1,0,0]=3 6863 B17R0.195 COCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011998445 [0,1,1,0,0,0|2,0,0]=4 6864 B17R0.195 COCCCCCCOCCCCCC(=O)OC 34a_200012092642_100009816466 [0,1,1,0,0,0|2,0,0]=4 6865 B17R0.195 COCCCCCCOCCCCCC(=O)OC 7a_100000074720_100011998445 [0,1,1,0,0,0|2,0,0]=4 6866 B17R0.195 COCCCCCCOCCCCCC(=O)OC 7a_200012092642_100009816466 [0,1,1,0,0,0|2,0,0]=4 6867 B17R0.195 COCCCCCCSCCCCCC(=O)OC 62a_100009816466_100011998445 [0,1,1,0,0,0|2,0,0]=4 6868 B17R0.195 COCCCCCCSCCCCCC(=O)OC 62a_100011998445_100009816466 [0,1,1,0,0,0|2,0,0]=4 6869 B17R0.195 COCCCCCNCCCCCCC(=O)OC 2230a_100000747528_100009815986 [0,1,1,0,0,0|2,0,0]=4 6870 B17R0.195 COCCCCCNCCCCCCC(=O)OC 34a_100000747528_100009815986 [0,1,1,0,0,0|2,0,0]=4 6871 B17R0.195 COCCCCOCCCCCCCC(=O)OC 34a_100000740925_100010004213 [0,1,1,0,0,0|2,0,0]=4 6872 B17R0.195 COCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000755781 [0,1,1,0,0,0|2,0,0]=4 6873 B17R0.195 COCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000730899 [0,1,1,0,0,0|2,0,0]=4 6874 B17R0.195 COCCCCSCCCCCCCC(=O)OC 62a_100000730899_100010004213 [0,1,1,0,0,0|2,0,0]=4 6875 B17R0.195 COCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000730899 [0,1,1,0,0,0|2,0,0]=4 6876 B17R0.195 COCCCNCCCCCCCCC(=O)OC 34a_100150723488_100010282707 [0,1,1,0,0,0|2,0,0]=4 6877 B17R0.195 COCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000740836 [0,1,1,0,0,0|2,0,0]=4 6878 B17R0.195 COCCCOCCCCCCCCC(=O)OC 34a_100000740835_100010282707 [0,1,1,0,0,0|2,0,0]=4 6879 B17R0.195 COCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000740836 [0,1,1,0,0,0|2,0,0]=4 6880 B17R0.195 COCCCSCCCCCCCCC(=O)OC 62a_100000709357_100010282707 [0,1,1,0,0,0|2,0,0]=4 6881 B17R0.195 COCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000709357 [0,1,1,0,0,0|2,0,0]=4 6882 B17R0.195 COCCNCCCCCCCCCC(=O)OC 2230a_100000209980_100009813843 [0,1,1,0,0,0|2,0,0]=4 6883 B17R0.195 COCCOCCCCCCCCCC(=O)OC 34a_100000210237_100009813843 [0,1,1,0,0,0|2,0,0]=4 6884 B17R0.195 COCCSCCCCCCCCCC(=O)OC 62a_100000233755_100009813843 [0,1,1,0,0,0|2,0,0]=4 6885 B17R0.195 COCSCCCCCCCCCCC(=O)OC 62a_100000766300_100009812566 [0,1,1,0,0,0|2,0,0]=4 6886 B17R0.195 O=C(CO)CCCCCCCCCCCCCO 1458a_100000210174_100009812470 [0,1,1,0,0,0|1,0,0]=3 6887 B17R0.195 O=C(CO)NCCCCCCCCCCCCO 240690a_100000066677_100000210174 [0,1,1,0,0,0|2,0,0]=4 6888 B17R0.197 C=CCCCCCCCCCCCNC(C)(C)C 2230a_100000715429_102130925996 [0,1,1,0,0,0|2,0,0]=4 6889 B17R0.197 C=CCCCCCCCCCCCOC(C)(C)C 34a_100015890283_102130925996 [0,1,1,0,0,0|2,0,0]=4 6890 B17R0.197 C=CCCCCCCCCCCCOC(C)(C)C 7a_100015890283_102130925996 [0,1,1,0,0,0|2,0,0]=4 6891 B17R0.197 C=CCCCCCCCCCCNCC(C)(C)C 2230a_100000743828_100011093070 [0,1,1,0,0,0|2,0,0]=4 6892 B17R0.197 C=CCCCCCCCCCCNCC(C)(C)F 2230a_100020643315_100011093070 [0,1,1,0,0,0|2,0,0]=4 6893 B17R0.197 C=CCCCCCCCCCCNCC(C)(C)O 2230a_100000751335_100011093070 [0,1,1,0,0,0|2,0,0]=4 6894 B17R0.197 C=CCCCCCCCCCCOCC(C)(C)F 34a_100000716592_100011093070 [0,1,1,0,0,0|2,0,0]=4 6895 B17R0.197 C=CCCCCCCCCCCSCC(C)(C)O 62a_100000764493_100011093070 [0,1,1,0,0,0|2,0,0]=4 6896 B17R0.197 C=CCCCCCCCCCCSCC(C)(C)O 62a_100011093070_100000764493 [0,1,1,0,0,0|2,0,0]=4 6897 B17R0.197 C=CCCCCCCCCCNCCC(C)(C)C 2230a_100000081888_100000755188 [0,1,1,0,0,0|2,0,0]=4 6898 B17R0.197 C=CCCCCCCCCCNCCC(C)(C)C 2230a_100000738805_100009814027 [0,1,1,0,0,0|2,0,0]=4 6899 B17R0.197 C=CCCCCCCCCCNCCC(C)(C)C 34a_100000081888_100000755188 [0,1,1,0,0,0|2,0,0]=4 6900 B17R0.197 C=CCCCCCCCCCNCCC(C)(C)F 2230a_100016253952_100009814027 [0,1,1,0,0,0|2,0,0]=4 6901 B17R0.197 C=CCCCCCCCCCNCCC(C)(C)O 2230a_100000081888_100000702414 [0,1,1,0,0,0|2,0,0]=4 6902 B17R0.197 C=CCCCCCCCCCNCCC(C)(C)O 34a_100000081888_100000702414 [0,1,1,0,0,0|2,0,0]=4 6903 B17R0.197 C=CCCCCCCCCCOCCC(C)(C)C 34a_100000038209_100000755188 [0,1,1,0,0,0|2,0,0]=4 6904 B17R0.197 C=CCCCCCCCCCOCCC(C)(C)C 7a_100000038209_100000755188 [0,1,1,0,0,0|2,0,0]=4 6905 B17R0.197 C=CCCCCCCCCCOCCC(C)(C)C 7a_100000765024_100009814027 [0,1,1,0,0,0|2,0,0]=4 6906 B17R0.197 C=CCCCCCCCCCOCCC(C)(C)O 34a_100000038209_100000702414 [0,1,1,0,0,0|2,0,0]=4 6907 B17R0.197 C=CCCCCCCCCCOCCC(C)(C)O 7a_100000038209_100000702414 [0,1,1,0,0,0|2,0,0]=4 6908 B17R0.197 C=CCCCCCCCCCSCCC(C)(C)O 62a_100000702414_100009814027 [0,1,1,0,0,0|2,0,0]=4 6909 B17R0.197 C=CCCCCCCCCCSCCC(C)(C)O 62a_100009814027_100000702414 [0,1,1,0,0,0|2,0,0]=4 6910 B17R0.197 C=CCCCCCCCCOCCCC(C)(C)O 34a_100011215194_100009888830 [0,1,1,0,0,0|2,0,0]=4 6911 B17R0.197 C=CCCCCCCCCOCCCC(C)(C)O 7a_100011215194_100009888830 [0,1,1,0,0,0|2,0,0]=4 6912 B17R0.197 C=CCCCCCCCCSCCCC(C)(C)O 62a_100009888830_100011933949 [0,1,1,0,0,0|2,0,0]=4 6913 B17R0.197 C=CCCCCCCCCSCCCC(C)(C)O 62a_100011933949_100009888830 [0,1,1,0,0,0|2,0,0]=4 6914 B17R0.197 C=CCCCCCCOCCCCCC(C)(C)O 34a_200011216477_100010402123 [0,1,1,0,0,0|2,0,0]=4 6915 B17R0.197 C=CCCCCCCOCCCCCC(C)(C)O 7a_200011216477_100010402123 [0,1,1,0,0,0|2,0,0]=4 6916 B17R0.197 C=CCCCCCCSCCCCCC(C)(C)O 62a_100010402123_100011215473 [0,1,1,0,0,0|2,0,0]=4 6917 B17R0.197 C=CCCCCCCSCCCCCC(C)(C)O 62a_100011215473_100010402123 [0,1,1,0,0,0|2,0,0]=4 6918 B17R0.197 CCCCCCCCCCCCCNS(=O)(=O)C 40a_100011215765_100000738038 [0,1,1,0,0,0|2,0,0]=4 6919 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011215454 [0,1,1,0,0,0|2,0,0]=4 6920 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 2230a_200011215754_100000731031 [0,1,1,0,0,0|2,0,0]=4 6921 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100011215454 [0,1,1,0,0,0|2,0,0]=4 6922 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 34a_200011215754_100000731031 [0,1,1,0,0,0|2,0,0]=4 6923 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 34a_100000210809_100000731031 [0,1,1,0,0,0|2,0,0]=4 6924 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100011215454 [0,1,1,0,0,0|2,0,0]=4 6925 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 7a_100000210809_100000230027 [0,1,1,0,0,0|2,0,0]=4 6926 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100011215454 [0,1,1,0,0,0|2,0,0]=4 6927 B17R0.197 CCCCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100011215454 [0,1,1,0,0,0|2,0,0]=4 6928 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 2230a_100000684558_100000754308 [0,1,1,0,0,0|2,0,0]=4 6929 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210320 [0,1,1,0,0,0|2,0,0]=4 6930 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 34a_100000684558_100000754308 [0,1,1,0,0,0|2,0,0]=4 6931 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210320 [0,1,1,0,0,0|2,0,0]=4 6932 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 34a_100000210711_100000754308 [0,1,1,0,0,0|2,0,0]=4 6933 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210320 [0,1,1,0,0,0|2,0,0]=4 6934 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 7a_100000210711_100000754308 [0,1,1,0,0,0|2,0,0]=4 6935 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210320 [0,1,1,0,0,0|2,0,0]=4 6936 B17R0.197 CCCCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210320 [0,1,1,0,0,0|2,0,0]=4 6937 B17R0.197 C[N+](C)(C)CCCCCCSCCCCCC=O 62a_100000139337_100009996864 [0,1,1,0,0,0|2,0,0]=4 6938 B17R0.197 C[N+](C)(C)CCCCCCSCCCCCC=O 62a_100009996864_100000139337 [0,1,1,0,0,0|2,0,0]=4 6939 B17R0.1713 CC(=O)CCCCCCCCCCCSC(=O)C 1458a_100000070787_100010140907 [0,1,1,0,0,0|1,0,1]=4 6940 B17R0.1713 CC(=O)CCCCOCCCCCCCC(C)C 34a_200000210741_100009817362 [0,1,1,0,0,0|1,0,0]=3 6941 B17R0.1713 CC(=O)CCCCOCCCCCCCC(C)C 7a_200000210741_100000735457 [0,1,1,0,0,0|1,0,0]=3 6942 B17R0.1713 CC(=O)NCCCCCCNCCCCC(C)C 2230a_200011996284_100011216152 [0,1,1,0,0,0|2,0,0]=4 6943 B17R0.1713 CC(=O)NCCCCCCNCCCCC(C)C 34a_200011996284_100011216152 [0,1,1,0,0,0|2,0,0]=4 6944 B17R0.1713 CC(=O)NCCCCCNCCCCCC(C)C 2230a_200012022750_100000210682 [0,1,1,0,0,0|2,0,0]=4 6945 B17R0.1713 CC(=O)NCCCCCNCCCCCC(C)C 34a_200012022750_100000210682 [0,1,1,0,0,0|2,0,0]=4 6946 B17R0.1713 CC(=O)OCCCCCNCCCCCC(C)C 2230a_100011290863_100009813381 [0,1,1,0,0,0|2,0,0]=4 6947 B17R0.1713 CC(=O)OCCCCCNCCCCCC(C)C 34a_100011290863_100000033007 [0,1,1,0,0,0|2,0,0]=4 6948 B17R0.1713 CC(=O)OCCCCCOCCCCCC(C)C 34a_100011995859_100000033007 [0,1,1,0,0,0|2,0,0]=4 6949 B17R0.1713 CC(=O)OCCCCCOCCCCCC(C)C 7a_100011995859_100000033007 [0,1,1,0,0,0|2,0,0]=4 6950 B17R0.1713 CC(=O)OCCCCCSCCCCCC(C)C 62a_100000033007_100000210682 [0,1,1,0,0,0|2,0,0]=4 6951 B17R0.1713 CC(=O)OCCCCCSCCCCCC(C)C 62a_100000210682_100000033007 [0,1,1,0,0,0|2,0,0]=4 6952 B17R0.1713 CC(=O)OCCCCNCCCCCCC(C)C 34a_100000211014_100000033659 [0,1,1,0,0,0|2,0,0]=4 6953 B17R0.1713 CC(=O)OCCCOCCCCCCCC(C)C 34a_200000210741_100000042594 [0,1,1,0,0,0|2,0,0]=4 6954 B17R0.1713 CC(=O)OCCCOCCCCCCCC(C)C 7a_200000210741_100000042594 [0,1,1,0,0,0|2,0,0]=4 6955 B17R0.1713 CC(=O)SCCCCCCCCCCCN(C)C 2230a_100102631434_100010140907 [0,1,1,0,0,0|2,0,0]=4 6956 B17R0.1713 CC(=O)SCCCCCCCCCCCN(C)C 269982a_100102631434_100010140907 [0,1,1,0,0,0|2,0,0]=4 6957 B17R0.1713 CC(=O)SCCCCNCCCCCCC(C)C 2230a_100000211014_200010402107 [0,1,1,0,0,0|2,0,0]=4 6958 B17R0.1713 CC(=O)SCCCCNCCCCCCC(C)C 34a_100000211014_200010402107 [0,1,1,0,0,0|2,0,0]=4 6959 B17R0.1713 CC(=O)SCCCOCCCCCCCC(C)C 34a_200000210741_100000038929 [0,1,1,0,0,0|2,0,0]=4 6960 B17R0.1713 CC(=O)SCCCOCCCCCCCC(C)C 7a_200000210741_100000038929 [0,1,1,0,0,0|2,0,0]=4 6961 B17R0.1713 CC(Br)COCCCCCCCCCCC(=O)N 34a_100012180447_200010167045 [0,1,1,0,0,0|2,0,0]=4 6962 B17R0.1713 CC(C)CCCCCCCOCCOCC(=O)N 34a_200000210741_100000076697 [0,1,1,0,0,0|2,0,0]=4 6963 B17R0.1713 CC(C)CCCCCCCOCCOCC(=O)N 7a_200000210741_100000076697 [0,1,1,0,0,0|2,0,0]=4 6964 B17R0.1713 CC(C)CCCCCCNCCCCCC(=O)N 2230a_100000211014_100009817443 [0,1,1,0,0,0|1,0,0]=3 6965 B17R0.1713 CC(C)CCCCCCNCCCCCC(=O)N 34a_100000211014_100009817443 [0,1,1,0,0,0|1,0,0]=3 6966 B17R0.1713 CC(C)CNCCCCCCCCCCC(=O)N 2230a_100000210953_200010167045 [0,1,1,0,0,0|1,0,0]=3 6967 B17R0.1713 CC(C)CNCCCCCCCCCCC(=O)N 34a_100000210953_200010167045 [0,1,1,0,0,0|1,0,0]=3 6968 B17R0.1713 CC(C)COCCCCCCCCCCC(=O)N 34a_100000210257_200010167045 [0,1,1,0,0,0|1,0,0]=3 6969 B17R0.1713 CC(C)CSCCCCCCCCCCC(=O)N 62a_100000210624_200010167045 [0,1,1,0,0,0|1,0,0]=3 6970 B17R0.1713 CC(C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000210760 [0,1,1,0,0,0|1,0,0]=3 6971 B17R0.1713 CC(C)NCCCCCOCCCCCC(=O)N 34a_100011629493_100009817443 [0,1,1,0,0,0|2,0,0]=4 6972 B17R0.1713 CC(F)COCCCCCCCCCCC(=O)N 34a_100015925927_200010167045 [0,1,1,0,0,0|2,0,0]=4 6973 B17R0.1713 CC(O)CNCCCCCCCCCCC(=O)N 2230a_100000210904_200010167045 [0,1,1,0,0,0|2,0,0]=4 6974 B17R0.1713 CC(O)CNCCCCCCCCCCC(=O)N 34a_100000210904_200010167045 [0,1,1,0,0,0|2,0,0]=4 6975 B17R0.1713 CC(O)CSCCCCCCCCCCC(=O)N 62a_100011218427_200010167045 [0,1,1,0,0,0|2,0,0]=4 6976 B17R0.1713 CC(O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100011218427 [0,1,1,0,0,0|2,0,0]=4 6977 B17R0.1713 C[C@@H](Cl)COCCCCCCCCCCC(=O)N 34a_100016084084_200010167045 [0,1,1,0,0,0|2,0,0]=4 6978 B17R0.1713 C[C@@H](N)COCCCCCCCCCCC(=O)N 34a_100000737577_200010167045 [0,1,1,0,0,0|2,0,0]=4 6979 B17R0.1713 C[C@@H](O)CSCCCCCCCCCCC(=O)N 62a_100009817552_200010167045 [0,1,1,0,0,0|2,0,0]=4 6980 B17R0.1713 C[C@@H](O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100009817552 [0,1,1,0,0,0|2,0,0]=4 6981 B17R0.8801 C=CCCCCCCCC(=O)CCCCC(C)C 1458a_100011216160_100011216152 [0,1,1,0,0,0|1,0,1]=4 6982 B17R0.8801 C=CCCCCCCCC(=O)CCCCC(C)C 1458a_100011933920_100012355270 [0,1,1,0,0,0|1,0,1]=4 6983 B17R0.8801 CCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210558_100000735457 [0,1,1,0,0,0|0,0,1]=3 6984 B17R0.8801 CCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210670 [0,1,1,0,0,0|1,0,1]=4 6985 B17R0.8801 CCCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210558_100000042594 [0,1,1,0,0,0|1,0,1]=4 6986 B17R0.8801 CCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210558_100000038929 [0,1,1,0,0,0|1,0,1]=4 6987 B17R0.8801 CCCCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100011215753 [0,1,1,0,0,0|2,0,0]=4 6988 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)C 34a_100011218016_100000685027 [0,1,1,0,0,0|1,0,0]=3 6989 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)C 7a_100011218016_100011215641 [0,1,1,0,0,0|1,0,0]=3 6990 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)N 34a_100011218016_100102525003 [0,1,1,0,0,0|2,0,0]=4 6991 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)N 7a_100011218016_100102525003 [0,1,1,0,0,0|2,0,0]=4 6992 B17R0.8801 CCCCCCCCCC(C)OCCNC(=O)C 7a_100011218016_100000189650 [0,1,1,0,0,0|2,0,0]=4 6993 B17R0.8801 CCCCCCCCCC(C)OCCOC(=O)C 34a_100011218016_100009814007 [0,1,1,0,0,0|2,0,0]=4 6994 B17R0.8801 CCCCCCCCCC(C)OCCOC(=O)C 7a_100011218016_100009814007 [0,1,1,0,0,0|2,0,0]=4 6995 B17R0.8801 CCCCCCCCCN(C)CCCCC(=O)C 269982a_100000232482_100000735457 [0,1,1,0,0,0|1,0,0]=3 6996 B17R0.8801 CCCCCCCCCN(C)CCCOC(=O)C 269982a_100000232482_100000042594 [0,1,1,0,0,0|2,0,0]=4 6997 B17R0.8801 CCCCCCCCCN(C)CCCSC(=O)C 2230a_100000232482_100000038929 [0,1,1,0,0,0|2,0,0]=4 6998 B17R0.8801 CCCCCCCCCN(C)CCCSC(=O)C 269982a_100000232482_100000038929 [0,1,1,0,0,0|2,0,0]=4 6999 B17R0.14245 C=C(C)C(=O)CCCCCCCCCCCCC 1458a_100000185857_100000210684 [0,1,1,0,0,0|1,0,1]=4 7000 B17R0.14245 C=C(C)C(C)NCCCCCCCCCCCC 269862a_100000210451_100011216138 [0,1,1,0,0,0|2,0,0]=4 7001 B17R0.14245 C=CCCCCCCCCCCCC(=O)C(C)C 1458a_100000210198_102130925996 [0,1,1,0,0,0|1,0,1]=4 7002 B17R0.14245 C=CCCCCCCCCCCCN(C)C(C)C 269982a_200000211004_102130925996 [0,1,1,0,0,0|2,0,0]=4 7003 B17R0.14245 C=CCCCCCCCCCCNC(C)C(C)C 2230a_100000211541_100011093070 [0,1,1,0,0,0|2,0,0]=4 7004 B17R0.14245 C=CCCCCCCCCCCOC(C)C(C)C 7a_100000748068_100011093070 [0,1,1,0,0,0|2,0,0]=4 7005 B17R0.14245 C=CCCCCCCCCCNCC(O)C(C)C 2230a_100000759067_100009814027 [0,1,1,0,0,0|2,0,0]=4 7006 B17R0.14245 C=CCCCCCCCCCNCC(O)C(C)C 34a_100000759067_100009814027 [0,1,1,0,0,0|2,0,0]=4 7007 B17R0.14245 C=CCCCCCCCCCOC[C@H](N)C(C)C 34a_100011830312_100009814027 [0,1,1,0,0,0|2,0,0]=4 7008 B17R0.14245 C=CCCCCCCCCOCCC(N)C(C)C 34a_100161115045_100011933949 [0,1,1,0,0,0|2,0,0]=4 7009 B17R0.14245 CC(=O)C(C)COCCCCCCCCCCO 34a_100000032740_100009813290 [0,1,1,0,0,0|2,0,0]=4 7010 B17R0.14245 CC(=O)C(C)COCCCCCCCCCCO 7a_100000032740_100009813290 [0,1,1,0,0,0|2,0,0]=4 7011 B17R0.14245 CC(=O)C(C)OCCCCCCCCCCCBr 7a_100009812471_100000179758 [0,1,1,0,0,0|2,0,0]=4 7012 B17R0.14245 CC(=O)C(C)OCCCCCCCCCCCO 34a_100000212229_100009812471 [0,1,1,0,0,0|2,0,0]=4 7013 B17R0.14245 CC(=O)C(C)SCCCCCCCCCCCO 62a_100009812471_100009814033 [0,1,1,0,0,0|2,0,0]=4 7014 B17R0.14245 CCCCCCCCCCCCCC(C)N(C)C 270004a_100102631434_100011216122 [0,1,1,0,0,0|2,0,0]=4 7015 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)C 2230a_100000210451_100009814033 [0,1,1,0,0,0|1,0,0]=3 7016 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)N 2230a_100000210451_100000702099 [0,1,1,0,0,0|2,0,0]=4 7017 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)N 34a_100000210451_100000702099 [0,1,1,0,0,0|2,0,0]=4 7018 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)N 2230a_100000210451_100009813875 [0,1,1,0,0,0|2,0,0]=4 7019 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)N 34a_100000210451_100009813875 [0,1,1,0,0,0|2,0,0]=4 7020 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)[O-] 34a_100000210451_100020610796 [0,1,1,0,0,0|2,0,0]=4 7021 B17R0.14245 CCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000759014 [0,1,1,0,0,0|2,0,0]=4 7022 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215052 [0,1,1,0,0,0|2,0,0]=4 7023 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 270004a_100000119354_100011218549 [0,1,1,0,0,0|2,0,0]=4 7024 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000759014 [0,1,1,0,0,0|2,0,0]=4 7025 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000759014 [0,1,1,0,0,0|1,0,0]=3 7026 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 7a_100000210810_100000179758 [0,1,1,0,0,0|1,0,0]=3 7027 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)N 34a_100000210810_100000702099 [0,1,1,0,0,0|2,0,0]=4 7028 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)N 7a_100000210810_100000702099 [0,1,1,0,0,0|2,0,0]=4 7029 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)N 34a_100000210810_100009813875 [0,1,1,0,0,0|2,0,0]=4 7030 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)N 7a_100000210810_100009813875 [0,1,1,0,0,0|2,0,0]=4 7031 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210810_100020610796 [0,1,1,0,0,0|2,0,0]=4 7032 B17R0.14245 CCCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000759014 [0,1,1,0,0,0|2,0,0]=4 7033 B17R0.14245 CCCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000759014 [0,1,1,0,0,0|2,0,0]=4 7034 B17R0.14245 CCCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000759014 [0,1,1,0,0,0|2,0,0]=4 7035 B17R0.14245 CCCCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000759014 [0,1,1,0,0,0|1,0,0]=3 7036 B17R0.14245 CCCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000759014 [0,1,1,0,0,0|2,0,0]=4 7037 B17R0.14245 CCCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000759014 [0,1,1,0,0,0|2,0,0]=4 7038 B17R0.14245 CCCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000759014 [0,1,1,0,0,0|2,0,0]=4 7039 B17R0.14245 CCCCCCCCCCCNCC(=O)C(=O)C 34a_200011215754_100011261029 [0,1,1,0,0,0|1,0,1]=4 7040 B17R0.14245 CCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011215454 [0,1,1,0,0,0|2,0,0]=4 7041 B17R0.14245 CCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011215454 [0,1,1,0,0,0|2,0,0]=4 7042 B17R0.14245 CCCCCCCCCCCOCC(=O)C(=O)C 34a_100000210809_100011261029 [0,1,1,0,0,0|1,0,1]=4 7043 B17R0.14245 CCCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011215454 [0,1,1,0,0,0|1,0,0]=3 7044 B17R0.14245 CCCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100011215454 [0,1,1,0,0,0|1,0,0]=3 7045 B17R0.14245 CCCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011215454 [0,1,1,0,0,0|2,0,0]=4 7046 B17R0.14245 CCCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100011215454 [0,1,1,0,0,0|1,0,1]=4 7047 B17R0.14245 CCOCCCCCCCCCOC(C)C(=O)C 7a_100009875440_100000179758 [0,1,1,0,0,0|2,0,0]=4 7048 B17R0.14363 CCC(C)CCCCCOCCCCCC(=O)N 7a_200000035636_100009817443 [0,1,1,0,0,0|2,0,0]=4 7049 B17R0.14363 CCC(C)CCCCCOCCCCOC(=O)C 7a_200000035636_100000033659 [0,1,1,0,0,0|2,0,0]=4 7050 B17R0.14363 CCC(C)CCCCCOCCCCSC(=O)C 7a_200000035636_200010402107 [0,1,1,0,0,0|2,0,0]=4 7051 B17R0.14363 CCC(C)NCCCCCCCCCCC(=O)N 2230a_100000209981_200010167045 [0,1,1,0,0,0|2,0,0]=4 7052 B17R0.14363 CCC(C)OCCCCCCCCCCC(=O)N 7a_100000210228_200010167045 [0,1,1,0,0,0|2,0,0]=4 7053 B17R0.14363 CCC(C)SCCCCCCCCCCC(=O)N 62a_100000758301_200010167045 [0,1,1,0,0,0|2,0,0]=4 7054 B17R0.14363 CCC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000758301 [0,1,1,0,0,0|2,0,0]=4 7055 B17R0.14363 COC(=O)CCCCCCCCCCCC(=O)C 1458a_100000070787_100010983606 [0,1,1,0,0,0|1,0,1]=4 7056 B17R0.67 CCCC(C)COCCCCCC(=O)OC(C)C 34a_100000688023_200010986244 [0,1,1,0,0,0|2,0,0]=4 7057 B17R0.67 CCCC(C)COCCCCCC(=O)OC(C)C 7a_100000688023_200010986244 [0,1,1,0,0,0|2,0,0]=4 7058 B17R0.67 CCCC(C)CSCCCCCC(=O)OC(C)C 62a_100011216630_200010986244 [0,1,1,0,0,0|2,0,0]=4 7059 B17R0.67 CCCC(C)CSCCCCCC(=O)OC(C)C 62a_200010986244_100011216630 [0,1,1,0,0,0|2,0,0]=4 7060 B17R0.67 CCC[C@H](N)COCCCCCC(=O)OC(C)C 34a_100000732646_200010986244 [0,1,1,0,0,0|2,0,0]=4 7061 B17R0.67 CCOC(=O)CCCCCCCC(=O)CC(C)C 1458a_100000210554_100009991516 [0,1,1,0,0,0|1,0,1]=4 7062 B17R0.95 CCCCCCCCC(=O)CCC(=O)NC(C)C 1458a_100000210188_100000737564 [0,1,1,0,0,0|1,0,1]=4 7063 B17R0.95 CCCCCCCCC(=O)CCC(=O)OC(C)C 1458a_100000210188_100000760027 [0,1,1,0,0,0|1,0,1]=4 7064 B17R0.95 CCCCCCCCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210759 [0,1,1,0,0,0|1,0,1]=4 7065 B17R0.95 CCCCCCCCC(C)NCC(=O)NC(C)C 270004a_100000168517_100011216694 [0,1,1,0,0,0|2,0,0]=4 7066 B17R0.95 CCCCCCCCC(C)OCC(=O)NC(C)C 34a_100000210740_100000183996 [0,1,1,0,0,0|2,0,0]=4 7067 B17R0.95 CCCCCCCCC(C)OCC(=O)NC(C)C 7a_100000210740_100000183996 [0,1,1,0,0,0|2,0,0]=4 7068 B17R0.95 CCCCCCCCC(C)OCC(=O)OC(C)C 34a_100000210740_100011215430 [0,1,1,0,0,0|2,0,0]=4 7069 B17R0.95 CCCCCCCCC(C)OCC(=O)OC(C)C 7a_100000210740_100011215430 [0,1,1,0,0,0|2,0,0]=4 7070 B17R0.95 CCCCCCCCN(C)CCC(=O)NC(C)C 2230a_100000207567_100000737564 [0,1,1,0,0,0|2,0,0]=4 7071 B17R0.95 CCCCCCCCN(C)CCC(=O)NC(C)C 269982a_100000207567_100000737564 [0,1,1,0,0,0|2,0,0]=4 7072 B17R0.95 CCCCCCCCN(C)CCC(=O)OC(C)C 2230a_100000207567_100000760027 [0,1,1,0,0,0|2,0,0]=4 7073 B17R0.95 CCCCCCCCN(C)CCC(=O)OC(C)C 269982a_100000207567_100000760027 [0,1,1,0,0,0|2,0,0]=4 7074 B17R0.135 CCCCCCC(C)CCOCC(=O)NC(C)C 34a_200011024964_100000183996 [0,1,1,0,0,0|2,0,0]=4 7075 B17R0.135 CCCCCCC(C)CCOCC(=O)NC(C)C 7a_200011024964_100000183996 [0,1,1,0,0,0|2,0,0]=4 7076 B17R0.135 CCCCCCC(C)CCOCC(=O)OC(C)C 34a_200011024964_100011215430 [0,1,1,0,0,0|2,0,0]=4 7077 B17R0.135 CCCCCCC(C)CCOCC(=O)OC(C)C 7a_200011024964_100011215430 [0,1,1,0,0,0|2,0,0]=4 7078 B17R0.174 CCCCC(C)CCCCOCC(=O)NC(C)C 34a_200011021034_100000183996 [0,1,1,0,0,0|2,0,0]=4 7079 B17R0.174 CCCCC(C)CCCCOCC(=O)NC(C)C 7a_200011021034_100000183996 [0,1,1,0,0,0|2,0,0]=4 7080 B17R0.174 CCCCC(C)CCCCOCC(=O)OC(C)C 34a_200011021034_100011215430 [0,1,1,0,0,0|2,0,0]=4 7081 B17R0.174 CCCCC(C)CCCCOCC(=O)OC(C)C 7a_200011021034_100011215430 [0,1,1,0,0,0|2,0,0]=4 7082 B17R0.174 CCCCC(C)NCCCCCC(=O)OC(C)C 2230a_100000126638_200010986244 [0,1,1,0,0,0|2,0,0]=4 7083 B17R0.174 CCCCC(C)OCCCCCC(=O)OC(C)C 34a_100000687866_200010986244 [0,1,1,0,0,0|2,0,0]=4 7084 B17R0.174 CCCCC(C)OCCCCCC(=O)OC(C)C 7a_100000687866_200010986244 [0,1,1,0,0,0|2,0,0]=4 7085 B17R0.174 CCCCC(C)SCCCCCC(=O)OC(C)C 62a_200010986244_200011215066 [0,1,1,0,0,0|2,0,0]=4 7086 B17R0.174 CCCCC(C)SCCCCCC(=O)OC(C)C 62a_200011215066_200010986244 [0,1,1,0,0,0|2,0,0]=4 7087 B17R0.177 CC(C)CCCCCCCOCC(=O)NC(C)C 34a_200000210741_100000183996 [0,1,1,0,0,0|2,0,0]=4 7088 B17R0.177 CC(C)CCCCCCCOCC(=O)NC(C)C 7a_200000210741_100000183996 [0,1,1,0,0,0|2,0,0]=4 7089 B17R0.177 CC(C)CCCCCCCOCC(=O)OC(C)C 34a_200000210741_100011215430 [0,1,1,0,0,0|2,0,0]=4 7090 B17R0.177 CC(C)CCCCCCCOCC(=O)OC(C)C 7a_200000210741_100011215430 [0,1,1,0,0,0|2,0,0]=4 7091 B17R0.177 CC(C)CCCCCCNCCC(=O)NC(C)C 2230a_100000211014_100000737564 [0,1,1,0,0,0|2,0,0]=4 7092 B17R0.177 CC(C)CCCCCCNCCC(=O)OC(C)C 2230a_100000211014_100000760027 [0,1,1,0,0,0|2,0,0]=4 7093 B17R0.177 CC(C)CCCNCCCCCC(=O)OC(C)C 2230a_200000737386_200010986244 [0,1,1,0,0,0|2,0,0]=4 7094 B17R0.177 CC(C)CCCNCCCCCC(=O)OC(C)C 34a_200000737386_200010986244 [0,1,1,0,0,0|2,0,0]=4 7095 B17R0.177 CC(C)CCCOCCCCCC(=O)OC(C)C 34a_100000210774_200010986244 [0,1,1,0,0,0|2,0,0]=4 7096 B17R0.177 CC(C)CCCOCCCCCC(=O)OC(C)C 7a_100000210774_200010986244 [0,1,1,0,0,0|2,0,0]=4 7097 B17R0.177 CC(C)CCCSCCCCCC(=O)OC(C)C 62a_100011214892_200010986244 [0,1,1,0,0,0|2,0,0]=4 7098 B17R0.177 CC(C)CCCSCCCCCC(=O)OC(C)C 62a_200010986244_100011214892 [0,1,1,0,0,0|2,0,0]=4 7099 B17R0.177 CC(O)CCCSCCCCCC(=O)OC(C)C 62a_200000718107_200010986244 [0,1,1,0,0,0|2,0,0]=4 7100 B17R0.177 CC(O)CCCSCCCCCC(=O)OC(C)C 62a_200010986244_200000718107 [0,1,1,0,0,0|2,0,0]=4 7101 B17R0.183 CCCCCC(=O)CCCCCC(=O)OC(C)C 1458a_100000212188_200010986244 [0,1,1,0,0,0|1,0,1]=4 7102 B17R0.183 CCCCCN(C)CCCCCC(=O)OC(C)C 2230a_100000223495_200010986244 [0,1,1,0,0,0|2,0,0]=4 7103 B17R0.183 CCCCCN(C)CCCCCC(=O)OC(C)C 269982a_100000223495_200010986244 [0,1,1,0,0,0|2,0,0]=4 7104 B17R0.186 CCC(C)CCCCCOCCC(=O)NC(C)C 7a_200000035636_100000737564 [0,1,1,0,0,0|2,0,0]=4 7105 B17R0.186 CCC(C)CCCCCOCCC(=O)OC(C)C 7a_200000035636_100000760027 [0,1,1,0,0,0|2,0,0]=4 7106 B17R0.186 CCC(C)CCNCCCCCC(=O)OC(C)C 2230a_100020591266_200010986244 [0,1,1,0,0,0|2,0,0]=4 7107 B17R0.186 CCC(C)CCOCCCCCC(=O)OC(C)C 7a_100011215188_200010986244 [0,1,1,0,0,0|2,0,0]=4 7108 B17R0.186 COC(=O)CCCCCCCCC(=O)CC(C)C 1458a_100000036616_100000210624 [0,1,1,0,0,0|1,0,1]=4 7109 B17R0.186 COC(=O)CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100010282707 [0,1,1,0,0,0|1,0,1]=4 7110 B17R0.189 C=C(C)CN(CC)CCCCCCCCCCC 2230a_100000211296_100011215454 [0,1,1,0,0,0|2,0,0]=4 7111 B17R0.189 C=C(C)CN(CC)CCCCCCCCCCC 269982a_100000211296_100011215454 [0,1,1,0,0,0|2,0,0]=4 7112 B17R0.189 CCCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100011215454 [0,1,1,0,0,0|2,0,0]=4 7113 B17R0.189 CCCCCCCCCCCN(CC)CC(C)C 2230a_100000738554_100011215454 [0,1,1,0,0,0|2,0,0]=4 7114 B17R0.189 CCCCCCCCCCCN(CC)CC(C)C 269982a_100000738554_100011215454 [0,1,1,0,0,0|2,0,0]=4 7115 B17R0.189 CCCCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100011215454 [0,1,1,0,0,0|2,0,0]=4 7116 B17R0.189 CCCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210320 [0,1,1,0,0,0|2,0,0]=4 7117 B17R0.189 CCCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210320 [0,1,1,0,0,0|2,0,0]=4 7118 B17R0.191 C=CCCCCCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100009814027 [0,1,1,0,0,0|0,0,2]=4 7119 B17R0.191 C=CCCCCCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100009814027 [0,1,1,0,0,0|0,0,2]=4 7120 B17R0.191 CC(C)C(C)C(=O)CCCCCCCCCCO 1458a_100000755409_100009813290 [0,1,1,0,0,0|1,0,0]=3 7121 B17R0.191 CC(C)C(C)C(=O)NCCCCCCCCCO 240690a_100000078944_100000755409 [0,1,1,0,0,0|2,0,0]=4 7122 B17R0.191 CC(C)N(C)C(=O)CCCCCCCCCCO 240690a_200000211004_200000016029 [0,1,1,0,0,0|2,0,0]=4 7123 B17R0.191 CC(C)[C@@H](O)C(=O)CCCCCCCCCCO 1458a_100000691806_100009813290 [0,1,1,0,0,0|1,0,0]=3 7124 B17R0.191 CC(C)[C@@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_100000691806 [0,1,1,0,0,0|2,0,0]=4 7125 B17R0.191 CCCCCCCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100011215454 [0,1,1,0,0,0|1,0,1]=4 7126 B17R0.191 CCCCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210736_100000179758 [0,1,1,0,0,0|1,0,1]=4 7127 B17R0.191 CCCCCCCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100011215454 [0,1,1,0,0,0|0,0,0]=2 7128 B17R0.191 CCCCCCCCCCCC(=O)N(C)C(C)C 11a_200000211004_100000210736 [0,1,1,0,0,0|1,0,0]=3 7129 B17R0.191 CCCCCCCCCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210736 [0,1,1,0,0,0|1,0,0]=3 7130 B17R0.191 CCCCCCCCCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210736 [0,1,1,0,0,0|1,0,0]=3 7131 B17R0.191 CCCCCCCCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100011215454 [0,1,1,0,0,0|1,0,0]=3 7132 B17R0.191 CCCCCCCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215454 [0,1,1,0,0,0|0,0,0]=2 7133 B17R0.191 CCCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100011215454 [0,1,1,0,0,0|2,0,0]=4 7134 B17R0.191 CCCCCCCCCCCN(C)C(C)C(C)C 2230a_100000228512_100011215454 [0,1,1,0,0,0|2,0,0]=4 7135 B17R0.191 CCCCCCCCCCCN(C)C(C)C(C)C 269982a_100000228512_100011215454 [0,1,1,0,0,0|2,0,0]=4 7136 B17R0.191 CCCCCCCCCCNC(=O)C(C)C(C)C 11a_100000684558_100000755409 [0,1,1,0,0,0|1,0,0]=3 7137 B17R0.191 CCCCCCCCCCNC(=O)C(C)C(C)C 1626a_100000684558_100000755409 [0,1,1,0,0,0|1,0,0]=3 7138 B17R0.191 CCCCCCCCCCNC(=O)C(C)C(C)C 240690a_100000684558_100000755409 [0,1,1,0,0,0|1,0,0]=3 7139 B17R0.191 CCCCCCCCCCNC(=O)C(C)C(C)C 527a_100000684558_100000755409 [0,1,1,0,0,0|1,0,0]=3 7140 B17R0.191 CCCCCCCCCCNC(=O)N(C)C(C)C 2708a_100000684558_200000211004 [0,1,1,0,0,0|2,0,0]=4 7141 B17R0.191 CCCCCCCCCCNC(=O)N(C)C(C)C 273464a_100000684558_200000211004 [0,1,1,0,0,0|2,0,0]=4 7142 B17R0.191 CCCCCCCCCCNC(=O)[C@H](C)N(C)C 240690a_100000684558_100009822176 [0,1,1,0,0,0|2,0,0]=4 7143 B17R0.191 CCCCCCCCCCNC(=O)[C@H](C)N(C)C 527a_100000684558_100009822176 [0,1,1,0,0,0|2,0,0]=4 7144 B17R0.191 CCCCCCCCCCNC(=O)[C@H](O)C(C)C 240690a_100000684558_100000691806 [0,1,1,0,0,0|1,0,0]=3 7145 B17R0.191 CCCCCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210320 [0,1,1,0,0,0|2,0,0]=4 7146 B17R0.191 CCCCCCCCCNCC(=O)N(C)C(C)C 2230a_100000212291_100000230190 [0,1,1,0,0,0|2,0,0]=4 7147 B17R0.191 CCCCCCCCCNCC(=O)N(C)C(C)C 34a_100000212291_100000230190 [0,1,1,0,0,0|2,0,0]=4 7148 B17R0.191 CCCCCCCCCOCC(=O)N(C)C(C)C 34a_100000210712_100000230190 [0,1,1,0,0,0|2,0,0]=4 7149 B17R0.191 CCCCCCCCCOCC(=O)N(C)C(C)C 7a_100000210712_100000230190 [0,1,1,0,0,0|2,0,0]=4 7150 B17R0.191 CCCCCCCCCSCC(=O)N(C)C(C)C 62a_100000230190_100000210670 [0,1,1,0,0,0|2,0,0]=4 7151 B17R0.191 C[C@@H](C(=O)CCCCCCCCCCO)N(C)C 1458a_100009822176_100009813290 [0,1,1,0,0,0|2,0,0]=4 7152 B17R0.233 CCCCCCCC(C)OCCC(=O)NC(C)C 7a_200011215852_100000737564 [0,1,1,0,0,0|2,0,0]=4 7153 B17R0.233 CCCCCCCC(C)OCCC(=O)OC(C)C 7a_200011215852_100000760027 [0,1,1,0,0,0|2,0,0]=4 7154 B17R0.233 CCCCCCCC(C)SCCC(=O)NC(C)C 62a_100000737564_200011218727 [0,1,1,0,0,0|2,0,0]=4 7155 B17R0.233 CCCCCCCC(C)SCCC(=O)NC(C)C 62a_200011218727_100000737564 [0,1,1,0,0,0|2,0,0]=4 7156 B17R0.233 CCCCCCCC(C)SCCC(=O)OC(C)C 62a_100000760027_200011218727 [0,1,1,0,0,0|2,0,0]=4 7157 B17R0.233 CCCCCCCC(C)SCCC(=O)OC(C)C 62a_200011218727_100000760027 [0,1,1,0,0,0|2,0,0]=4 7158 B17R0.6460 CC(=O)CC(C)(C)OCCCCCCCCCO 7a_100000210262_100009813782 [0,1,1,0,0,0|2,0,0]=4 7159 B17R0.6460 CCCCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210320 [0,1,1,0,0,0|2,0,0]=4 7160 B17R0.6460 CCCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210320 [0,1,1,0,0,0|2,0,0]=4 7161 B17R0.6460 CCCCCCCCCCNS(=O)(=O)CC(C)C 270084a_100000684558_100000748289 [0,1,1,0,0,0|2,0,0]=4 7162 B17R0.6460 CCCCCCCCCCNS(=O)(=O)CC(C)C 274078a_100000684558_100000748289 [0,1,1,0,0,0|2,0,0]=4 7163 B17R0.6460 CCCCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210320 [0,1,1,0,0,0|1,0,0]=3 7164 B17R0.13601 C#CC(C)NC(=O)CCCCCCCCCCC 11a_100000707721_100000210736 [0,1,1,0,0,0|1,0,1]=4 7165 B17R0.13601 C#CC(C)NC(=O)CCCCCCCCCCC 1626a_100000707721_100000210736 [0,1,1,0,0,0|1,0,1]=4 7166 B17R0.13601 C#CC(C)NC(=O)CCCCCCCCCCC 240690a_100000707721_100000210736 [0,1,1,0,0,0|1,0,1]=4 7167 B17R0.13601 C=CC(C)CC(=O)CCCCCCCCCCC 1458a_100011934298_100011215454 [0,1,1,0,0,0|0,0,1]=3 7168 B17R0.13601 C=CC(C)CC(=O)CCCCCCCCCCO 1458a_100011934298_100009813290 [0,1,1,0,0,0|1,0,1]=4 7169 B17R0.13601 C=CC(C)CC(=O)NCCCCCCCCCC 11a_100000684558_100011934298 [0,1,1,0,0,0|1,0,1]=4 7170 B17R0.13601 C=CC(C)CC(=O)NCCCCCCCCCC 1626a_100000684558_100011934298 [0,1,1,0,0,0|1,0,1]=4 7171 B17R0.13601 C=CC(C)CC(=O)NCCCCCCCCCC 240690a_100000684558_100011934298 [0,1,1,0,0,0|1,0,1]=4 7172 B17R0.13601 C=CC(C)CC(=O)NCCCCCCCCCC 527a_100000684558_100011934298 [0,1,1,0,0,0|1,0,1]=4 7173 B17R0.13601 C=CCCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100009814027 [0,1,1,0,0,0|0,0,2]=4 7174 B17R0.13601 CCC(C)CC(=O)CCCCCCCCCCO 1458a_100000708755_100009813290 [0,1,1,0,0,0|1,0,0]=3 7175 B17R0.13601 CCC(C)CC(=O)NCCCCCCCCCO 240690a_100000078944_100000708755 [0,1,1,0,0,0|2,0,0]=4 7176 B17R0.13601 CCC(C)NC(=O)CCCCCCCCCCO 240690a_100000209981_200000016029 [0,1,1,0,0,0|2,0,0]=4 7177 B17R0.13601 CCC(O)CC(=O)CCCCCCCCCCO 1458a_100011667805_100009813290 [0,1,1,0,0,0|2,0,0]=4 7178 B17R0.13601 CCCCCCCCCC=CC(=O)CC(C)CC 1458a_200015352897_100000748023 [0,1,1,0,0,0|0,0,2]=4 7179 B17R0.13601 CCCCCCCCCC=CC(=O)C[C@@H](C)CC 1458a_200015352897_100009816398 [0,1,1,0,0,0|0,0,2]=4 7180 B17R0.13601 CCCCCCCCCC=CC(=O)C[C@@H](C)CO 1458a_200015352897_100000059175 [0,1,1,0,0,0|0,0,2]=4 7181 B17R0.13601 CCCCCCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100011215454 [0,1,1,0,0,0|0,0,2]=4 7182 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)CC 1458a_100000210736_100000747405 [0,1,1,0,0,0|1,0,1]=4 7183 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)NC 1458a_100000210736_100000183359 [0,1,1,0,0,0|1,0,1]=4 7184 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000210736_100000747449 [0,1,1,0,0,0|1,0,1]=4 7185 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215454 [0,1,1,0,0,0|1,0,1]=4 7186 B17R0.13601 CCCCCCCCCCCC(=O)CC(C)CC 1458a_100000210736_100000748023 [0,1,1,0,0,0|0,0,0]=2 7187 B17R0.13601 CCCCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100011215454 [0,1,1,0,0,0|0,0,0]=2 7188 B17R0.13601 CCCCCCCCCCCC(=O)CC(O)CC 1458a_100000210736_100011218378 [0,1,1,0,0,0|1,0,0]=3 7189 B17R0.13601 CCCCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100011215454 [0,1,1,0,0,0|1,0,0]=3 7190 B17R0.13601 CCCCCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100011215454 [0,1,1,0,0,0|1,0,0]=3 7191 B17R0.13601 CCCCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210736_100009816398 [0,1,1,0,0,0|0,0,0]=2 7192 B17R0.13601 CCCCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000210736_100000059175 [0,1,1,0,0,0|0,0,0]=2 7193 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)C#N 11a_100000737613_100000210736 [0,1,1,0,0,0|1,0,1]=4 7194 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)C#N 1626a_100000737613_100000210736 [0,1,1,0,0,0|1,0,1]=4 7195 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000210736 [0,1,1,0,0,0|1,0,0]=3 7196 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000210736 [0,1,1,0,0,0|1,0,0]=3 7197 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000210736 [0,1,1,0,0,0|1,0,0]=3 7198 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210736 [0,1,1,0,0,0|1,0,0]=3 7199 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210736 [0,1,1,0,0,0|1,0,0]=3 7200 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210736 [0,1,1,0,0,0|1,0,0]=3 7201 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210736 [0,1,1,0,0,0|1,0,0]=3 7202 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)NC 1626a_100102657272_100000082106 [0,1,1,0,0,0|1,0,0]=3 7203 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)NC 240690a_100102657272_100000082106 [0,1,1,0,0,0|1,0,0]=3 7204 B17R0.13601 CCCCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011215454 [0,1,1,0,0,0|1,0,0]=3 7205 B17R0.13601 CCCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011215454 [0,1,1,0,0,0|1,0,0]=3 7206 B17R0.13601 CCCCCCCCCCCN(C)CC(C)CC 2230a_100000753921_100011215454 [0,1,1,0,0,0|2,0,0]=4 7207 B17R0.13601 CCCCCCCCCCCN(C)CC(C)CC 269982a_100000753921_100011215454 [0,1,1,0,0,0|2,0,0]=4 7208 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 11a_100000684558_100000708755 [0,1,1,0,0,0|1,0,0]=3 7209 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 1626a_100000684558_100000708755 [0,1,1,0,0,0|1,0,0]=3 7210 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 240690a_100000684558_100000708755 [0,1,1,0,0,0|1,0,0]=3 7211 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 527a_100000684558_100000708755 [0,1,1,0,0,0|1,0,0]=3 7212 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC 1626a_100000684558_100011667805 [0,1,1,0,0,0|2,0,0]=4 7213 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC 240690a_100000684558_100011667805 [0,1,1,0,0,0|2,0,0]=4 7214 B17R0.13601 CCCCCCCCCCNC(=O)CN(C)CC 240690a_100000684558_100116209913 [0,1,1,0,0,0|2,0,0]=4 7215 B17R0.13601 CCCCCCCCCCNC(=O)CN(C)CC 527a_100000684558_100116209913 [0,1,1,0,0,0|2,0,0]=4 7216 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 2708a_100000209981_100000684558 [0,1,1,0,0,0|2,0,0]=4 7217 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 2708a_100000684558_100000209981 [0,1,1,0,0,0|2,0,0]=4 7218 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 273464a_100000209981_100000684558 [0,1,1,0,0,0|2,0,0]=4 7219 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 273464a_100000684558_100000209981 [0,1,1,0,0,0|2,0,0]=4 7220 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 512a_100000209981_100000684558 [0,1,1,0,0,0|2,0,0]=4 7221 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 512a_100000684558_100000209981 [0,1,1,0,0,0|2,0,0]=4 7222 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CF 2708a_100000684558_100102880703 [0,1,1,0,0,0|2,0,0]=4 7223 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CF 273464a_100000684558_100102880703 [0,1,1,0,0,0|2,0,0]=4 7224 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000684558 [0,1,1,0,0,0|2,0,0]=4 7225 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CF 512a_100000684558_100102880703 [0,1,1,0,0,0|2,0,0]=4 7226 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000684558 [0,1,1,0,0,0|2,0,0]=4 7227 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 2708a_100000684558_100000737577 [0,1,1,0,0,0|2,0,0]=4 7228 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000684558 [0,1,1,0,0,0|2,0,0]=4 7229 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000684558_100000737577 [0,1,1,0,0,0|2,0,0]=4 7230 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000684558 [0,1,1,0,0,0|2,0,0]=4 7231 B17R0.13601 CCCCCCCCCCNC(C)CC(=O)OC 2230a_100000684558_100009817358 [0,1,1,0,0,0|1,0,0]=3 7232 B17R0.13601 CCCCCCCCCCNC(C)CC(=O)OC 34a_100000684558_100009817358 [0,1,1,0,0,0|1,0,0]=3 7233 B17R0.13601 CCCCCCCCCCOC(=O)CN(C)CC 2230a_100000225621_100000210668 [0,1,1,0,0,0|2,0,0]=4 7234 B17R0.13601 CCCCCCCCCCOC(=O)CN(C)CC 269982a_100000225621_100000210668 [0,1,1,0,0,0|2,0,0]=4 7235 B17R0.13601 CCCCCCCCCCOC(C)CC(=O)OC 34a_100000210711_100009817358 [0,1,1,0,0,0|1,0,0]=3 7236 B17R0.13601 CCCCCCCCCCOC(C)CC(=O)OC 7a_100000210711_100009817358 [0,1,1,0,0,0|1,0,0]=3 7237 B17R0.13601 CCCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210320 [0,1,1,0,0,0|1,0,0]=3 7238 B17R0.13601 CCCCCCCCCNCC(=O)NC(C)CC 2230a_100000212291_100000182745 [0,1,1,0,0,0|2,0,0]=4 7239 B17R0.13601 CCCCCCCCCNCC(=O)NC(C)CC 34a_100000212291_100000182745 [0,1,1,0,0,0|2,0,0]=4 7240 B17R0.13601 CCCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000212291_100000754131 [0,1,1,0,0,0|2,0,0]=4 7241 B17R0.13601 CCCCCCCCCOCC(=O)NC(C)CC 34a_100000210712_100000182745 [0,1,1,0,0,0|2,0,0]=4 7242 B17R0.13601 CCCCCCCCCOCC(=O)NC(C)CC 7a_100000210712_100000182745 [0,1,1,0,0,0|2,0,0]=4 7243 B17R0.13601 CCCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210712_100000754131 [0,1,1,0,0,0|2,0,0]=4 7244 B17R0.13601 CCCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210712_100000754131 [0,1,1,0,0,0|2,0,0]=4 7245 B17R0.13601 CCCCCCCCCSCC(=O)NC(C)CC 62a_100000182745_100000210670 [0,1,1,0,0,0|2,0,0]=4 7246 B17R0.13601 CCCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210670 [0,1,1,0,0,0|2,0,0]=4 7247 B17R0.13601 CCN(C)CC(=O)CCCCCCCCCCO 1458a_100116209913_100009813290 [0,1,1,0,0,0|2,0,0]=4 7248 B17R0.13601 CNC(=O)CN(C)CCCCCCCCCCO 2230a_100000189611_100009813290 [0,1,1,0,0,0|2,0,0]=4 7249 B17R0.13601 COC(=O)CC(C)NCCCCCCCCCO 2230a_100000078944_100009817358 [0,1,1,0,0,0|2,0,0]=4 7250 B17R0.13601 COC(=O)CC(C)NCCCCCCCCCO 34a_100000078944_100009817358 [0,1,1,0,0,0|2,0,0]=4 7251 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCBr 34a_100009813782_100009817358 [0,1,1,0,0,0|2,0,0]=4 7252 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCBr 7a_100009813782_100009817358 [0,1,1,0,0,0|2,0,0]=4 7253 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCCl 34a_100009868337_100009817358 [0,1,1,0,0,0|2,0,0]=4 7254 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCCl 7a_100009868337_100009817358 [0,1,1,0,0,0|2,0,0]=4 7255 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCN 34a_100000078944_100009817358 [0,1,1,0,0,0|2,0,0]=4 7256 B17R0.13601 COC(=O)CC(C)SCCCCCCCCCO 62a_100009813782_100009817358 [0,1,1,0,0,0|2,0,0]=4 7257 B17R0.13601 COC(=O)CC(C)SCCCCCCCCCO 62a_100009817358_100009813782 [0,1,1,0,0,0|2,0,0]=4 7258 B17R0.13601 COC(=O)CN(C)CCCCCCCCCCO 2230a_100000198492_100009813290 [0,1,1,0,0,0|2,0,0]=4 7259 B17R0.13601 C[C@H](CF)NC(=O)CCCCCCCCCCO 240690a_100102880703_200000016029 [0,1,1,0,0,0|2,0,0]=4 7260 B17R0.13601 C[C@H](CO)NC(=O)CCCCCCCCCCO 240690a_100000737577_200000016029 [0,1,1,0,0,0|2,0,0]=4 7261 B17R0.13612 C=CCCCCCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100009814027 [0,1,1,0,0,0|0,0,2]=4 7262 B17R0.13612 C=CCCCCCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100009814027 [0,1,1,0,0,0|0,0,2]=4 7263 B17R0.13612 CC(C)(C)CC(=O)CCCCCCCCCCO 1458a_100000211214_100009813290 [0,1,1,0,0,0|1,0,0]=3 7264 B17R0.13612 CC(C)(C)CC(=O)NCCCCCCCCCO 240690a_100000078944_100000211214 [0,1,1,0,0,0|2,0,0]=4 7265 B17R0.13612 CC(C)(C)NC(=O)CCCCCCCCCCO 240690a_100000715429_200000016029 [0,1,1,0,0,0|2,0,0]=4 7266 B17R0.13612 CC(C)(C)OC(=O)CCCCCCCCCS[13CH3] 62a_100134615940_200025704644 [0,1,1,0,0,0|2,0,0]=4 7267 B17R0.13612 CC(C)(C)OC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100134615940 [0,1,1,0,0,0|2,0,0]=4 7268 B17R0.13612 CC(C)(O)CC(=O)CCCCCCCCCCO 1458a_100000693243_100009813290 [0,1,1,0,0,0|1,0,0]=3 7269 B17R0.13612 CCCCCCCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100011215454 [0,1,1,0,0,0|0,0,0]=2 7270 B17R0.13612 CCCCCCCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100011215454 [0,1,1,0,0,0|0,0,0]=2 7271 B17R0.13612 CCCCCCCCCCCC(=O)CC(F)(F)F 1458a_100000245130_100011215454 [0,1,1,0,0,0|2,0,0]=4 7272 B17R0.13612 CCCCCCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011215454 [0,1,1,0,0,0|2,0,0]=4 7273 B17R0.13612 CCCCCCCCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100011215454 [0,1,1,0,0,0|1,0,0]=3 7274 B17R0.13612 CCCCCCCCCCCC(=O)C[Si](C)(C)C 1458a_100000210736_100000233785 [0,1,1,0,0,0|0,1,0]=3 7275 B17R0.13612 CCCCCCCCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100011215454 [0,1,1,0,0,0|0,1,0]=3 7276 B17R0.13612 CCCCCCCCCCCC(=O)NC(C)(C)C 11a_100000715429_100000210736 [0,1,1,0,0,0|1,0,0]=3 7277 B17R0.13612 CCCCCCCCCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210736 [0,1,1,0,0,0|1,0,0]=3 7278 B17R0.13612 CCCCCCCCCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210736 [0,1,1,0,0,0|1,0,0]=3 7279 B17R0.13612 CCCCCCCCCCCN(C)CC(C)(C)C 2230a_100000742839_100011215454 [0,1,1,0,0,0|2,0,0]=4 7280 B17R0.13612 CCCCCCCCCCCN(C)CC(C)(C)C 269982a_100000742839_100011215454 [0,1,1,0,0,0|2,0,0]=4 7281 B17R0.13612 CCCCCCCCCCCN(C)CC(C)(C)O 2230a_100000755907_100011215454 [0,1,1,0,0,0|2,0,0]=4 7282 B17R0.13612 CCCCCCCCCCCN(C)CC(C)(C)O 269982a_100000755907_100011215454 [0,1,1,0,0,0|2,0,0]=4 7283 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)C 11a_100000684558_100000211214 [0,1,1,0,0,0|1,0,0]=3 7284 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)C 1626a_100000684558_100000211214 [0,1,1,0,0,0|1,0,0]=3 7285 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)C 240690a_100000684558_100000211214 [0,1,1,0,0,0|1,0,0]=3 7286 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)C 527a_100000684558_100000211214 [0,1,1,0,0,0|1,0,0]=3 7287 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)O 527a_100000684558_100000693243 [0,1,1,0,0,0|1,0,0]=3 7288 B17R0.13612 CCCCCCCCCCNC(=O)C[N+](C)(C)C 11a_100000684558_100000033712 [0,1,1,0,0,0|2,0,0]=4 7289 B17R0.13612 CCCCCCCCCCNC(=O)C[N+](C)(C)C 1626a_100000684558_100000033712 [0,1,1,0,0,0|2,0,0]=4 7290 B17R0.13612 CCCCCCCCCCNC(=O)C[N+](C)(C)C 240690a_100000684558_100000033712 [0,1,1,0,0,0|2,0,0]=4 7291 B17R0.13612 CCCCCCCCCCNC(=O)C[N+](C)(C)C 527a_100000684558_100000033712 [0,1,1,0,0,0|2,0,0]=4 7292 B17R0.13612 CCCCCCCCCCNC(=O)C[Si](C)(C)C 11a_100000684558_100011218504 [0,1,1,0,0,0|1,1,0]=4 7293 B17R0.13612 CCCCCCCCCCNC(=O)C[Si](C)(C)C 1626a_100000684558_100011218504 [0,1,1,0,0,0|1,1,0]=4 7294 B17R0.13612 CCCCCCCCCCNC(=O)NC(C)(C)C 2708a_100000684558_100000715429 [0,1,1,0,0,0|2,0,0]=4 7295 B17R0.13612 CCCCCCCCCCNC(=O)NC(C)(C)C 273464a_100000684558_100000715429 [0,1,1,0,0,0|2,0,0]=4 7296 B17R0.13612 CCCCCCCCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000684558 [0,1,1,0,0,0|2,0,0]=4 7297 B17R0.13612 CCCCCCCCCCNC(=O)NC(C)(C)C 512a_100000715429_100000684558 [0,1,1,0,0,0|2,0,0]=4 7298 B17R0.13612 CCCCCCCCCNCC(=O)NC(C)(C)C 2230a_100000174917_100011214924 [0,1,1,0,0,0|2,0,0]=4 7299 B17R0.13612 CCCCCCCCCNCC(=O)NC(C)(C)C 2230a_100000212291_100000182746 [0,1,1,0,0,0|2,0,0]=4 7300 B17R0.13612 CCCCCCCCCNCC(=O)NC(C)(C)C 34a_100000174917_100011214924 [0,1,1,0,0,0|2,0,0]=4 7301 B17R0.13612 CCCCCCCCCNCC(=O)NC(C)(C)C 34a_100000212291_100000182746 [0,1,1,0,0,0|2,0,0]=4 7302 B17R0.13612 CCCCCCCCCNCC(=O)OC(C)(C)C 2230a_100000212291_100000183872 [0,1,1,0,0,0|2,0,0]=4 7303 B17R0.13612 CCCCCCCCCNCC(=O)OC(C)(C)C 34a_100000212291_100000183872 [0,1,1,0,0,0|2,0,0]=4 7304 B17R0.13612 CCCCCCCCCOCC(=O)NC(C)(C)C 34a_100000210712_100000182746 [0,1,1,0,0,0|2,0,0]=4 7305 B17R0.13612 CCCCCCCCCOCC(=O)NC(C)(C)C 7a_100000210712_100000182746 [0,1,1,0,0,0|2,0,0]=4 7306 B17R0.13612 CCCCCCCCCOCC(=O)OC(C)(C)C 34a_100000210712_100000183872 [0,1,1,0,0,0|2,0,0]=4 7307 B17R0.13612 CCCCCCCCCOCC(=O)OC(C)(C)C 34a_100000752683_100011214924 [0,1,1,0,0,0|2,0,0]=4 7308 B17R0.13612 CCCCCCCCCOCC(=O)OC(C)(C)C 7a_100000210712_100000183872 [0,1,1,0,0,0|2,0,0]=4 7309 B17R0.13612 CCCCCCCCCSCC(=O)NC(C)(C)C 62a_100000182746_100000210670 [0,1,1,0,0,0|2,0,0]=4 7310 B17R0.13612 CCCCCCCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210670 [0,1,1,0,0,0|2,0,0]=4 7311 B17R0.13612 CCCCCCCCNCCC(=O)NC(C)(C)C 2230a_100000229939_100011194433 [0,1,1,0,0,0|2,0,0]=4 7312 B17R0.13612 CCCCCCCCNCCC(=O)OC(C)(C)C 2230a_100000229939_100009816755 [0,1,1,0,0,0|2,0,0]=4 7313 B17R0.13612 CCCCCCCCNCCC(=O)OC(C)(C)C 34a_100000229939_100009816755 [0,1,1,0,0,0|2,0,0]=4 7314 B17R0.13612 CCCCCCCCNCOC(=O)CC(C)(C)C 2230a_100000229939_200010999194 [0,1,1,0,0,0|2,0,0]=4 7315 B17R0.13612 CCCCCCCCNCOC(=O)CC(C)(C)C 34a_100000229939_200010999194 [0,1,1,0,0,0|2,0,0]=4 7316 B17R0.13612 CCCCCCCCOCCC(=O)NC(C)(C)C 7a_100000210232_100011194433 [0,1,1,0,0,0|2,0,0]=4 7317 B17R0.13612 CCCCCCCCOCCC(=O)OC(C)(C)C 34a_100000210232_100009816755 [0,1,1,0,0,0|2,0,0]=4 7318 B17R0.13612 CCCCCCCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000210759 [0,1,1,0,0,0|2,0,0]=4 7319 B17R0.13612 CCCCCCCCOCCC(=O)OC(C)(C)C 7a_100000210232_100009816755 [0,1,1,0,0,0|2,0,0]=4 7320 B17R0.13612 CCCCCCCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000210759 [0,1,1,0,0,0|2,0,0]=4 7321 B17R0.13612 CCCCCCCCOCOC(=O)CC(C)(C)C 34a_100000210232_200010999194 [0,1,1,0,0,0|2,0,0]=4 7322 B17R0.13612 CCCCCCCCOCOC(=O)CC(C)(C)C 7a_100000210232_200010999194 [0,1,1,0,0,0|2,0,0]=4 7323 B17R0.13612 CCCCCCCCSCCC(=O)NC(C)(C)C 62a_100000210759_100011194433 [0,1,1,0,0,0|2,0,0]=4 7324 B17R0.13612 CCCCCCCCSCCC(=O)NC(C)(C)C 62a_100011194433_100000210317 [0,1,1,0,0,0|2,0,0]=4 7325 B17R0.13612 CCCCCCCCSCCC(=O)OC(C)(C)C 62a_100000210759_100009816755 [0,1,1,0,0,0|2,0,0]=4 7326 B17R0.13612 CCCCCCCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000210317 [0,1,1,0,0,0|2,0,0]=4 7327 B17R0.13612 CCCCCCCCSCOC(=O)CC(C)(C)C 62a_100000210759_200010999194 [0,1,1,0,0,0|2,0,0]=4 7328 B17R0.13612 CCCCCCCCSCOC(=O)CC(C)(C)C 62a_200010999194_100000210317 [0,1,1,0,0,0|2,0,0]=4 7329 B17R0.13612 CCCCCCCNCCCC(=O)NC(C)(C)C 2230a_100000229938_100011194434 [0,1,1,0,0,0|2,0,0]=4 7330 B17R0.13612 CCCCCCCNCCCC(=O)OC(C)(C)C 2230a_100000229938_100000708543 [0,1,1,0,0,0|2,0,0]=4 7331 B17R0.13612 CCCCCCCOCCCC(=O)NC(C)(C)C 7a_100000210272_100011194434 [0,1,1,0,0,0|2,0,0]=4 7332 B17R0.13612 CCCCCCCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000210614 [0,1,1,0,0,0|2,0,0]=4 7333 B17R0.13612 CCCCCCCOCCCC(=O)OC(C)(C)C 34a_100000210272_100000708543 [0,1,1,0,0,0|2,0,0]=4 7334 B17R0.13612 CCCCCCCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000210614 [0,1,1,0,0,0|2,0,0]=4 7335 B17R0.13612 CCCCCCCOCCCC(=O)OC(C)(C)C 7a_100000210272_100000708543 [0,1,1,0,0,0|2,0,0]=4 7336 B17R0.13612 CCCCCCCSCCCC(=O)NC(C)(C)C 62a_100000210614_100011194434 [0,1,1,0,0,0|2,0,0]=4 7337 B17R0.13612 CCCCCCCSCCCC(=O)NC(C)(C)C 62a_100011194434_100000210316 [0,1,1,0,0,0|2,0,0]=4 7338 B17R0.13612 CCCCCCCSCCCC(=O)OC(C)(C)C 62a_100000210614_100000708543 [0,1,1,0,0,0|2,0,0]=4 7339 B17R0.13612 CCCCCCCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000210316 [0,1,1,0,0,0|2,0,0]=4 7340 B17R0.13612 CCCCCCNCCCCC(=O)OC(C)(C)C 2230a_100000210581_100010889705 [0,1,1,0,0,0|2,0,0]=4 7341 B17R0.13612 CCCCCCOCCCCC(=O)OC(C)(C)C 34a_100000210259_100010889705 [0,1,1,0,0,0|2,0,0]=4 7342 B17R0.13612 CCCCCCOCCCCC(=O)OC(C)(C)C 7a_100000210259_100010889705 [0,1,1,0,0,0|2,0,0]=4 7343 B17R0.13612 CCCCCCSCCCCC(=O)OC(C)(C)C 62a_100000210314_100010889705 [0,1,1,0,0,0|2,0,0]=4 7344 B17R0.13612 CCCCCCSCCCCC(=O)OC(C)(C)C 62a_100010889705_100000210757 [0,1,1,0,0,0|2,0,0]=4 7345 B17R0.13612 CCCCCNCCCCCC(=O)OC(C)(C)C 2230a_100000209983_100010886488 [0,1,1,0,0,0|2,0,0]=4 7346 B17R0.13612 CCCCCOCCCCCC(=O)OC(C)(C)C 34a_100000097220_100000718602 [0,1,1,0,0,0|2,0,0]=4 7347 B17R0.13612 CCCCCOCCCCCC(=O)OC(C)(C)C 34a_100000210253_100010886488 [0,1,1,0,0,0|2,0,0]=4 7348 B17R0.13612 CCCCCOCCCCCC(=O)OC(C)(C)C 7a_100000097220_100000210326 [0,1,1,0,0,0|2,0,0]=4 7349 B17R0.13612 CCCCCOCCCCCC(=O)OC(C)(C)C 7a_100000210253_100010886488 [0,1,1,0,0,0|2,0,0]=4 7350 B17R0.13612 CCCCCSCCCCCC(=O)OC(C)(C)C 62a_100000210326_100010886488 [0,1,1,0,0,0|2,0,0]=4 7351 B17R0.13612 CCCCCSCCCCCC(=O)OC(C)(C)C 62a_100010886488_100000210326 [0,1,1,0,0,0|2,0,0]=4 7352 B17R0.13612 CCCCNCCCCCCC(=O)OC(C)(C)C 2230a_100000102301_100010989376 [0,1,1,0,0,0|2,0,0]=4 7353 B17R0.13612 CCCCNCCCCCCC(=O)OC(C)(C)C 7a_106832991798_100010989376 [0,1,1,0,0,0|2,0,0]=4 7354 B17R0.13612 CCCCOCCCCCCC(=O)OC(C)(C)C 34a_100000210227_100010989376 [0,1,1,0,0,0|2,0,0]=4 7355 B17R0.13612 CCCCOCCCCCCC(=O)OC(C)(C)C 34a_100048648013_100000210210 [0,1,1,0,0,0|2,0,0]=4 7356 B17R0.13612 CCCCOCCCCCCC(=O)OC(C)(C)C 7a_100000210227_100010989376 [0,1,1,0,0,0|2,0,0]=4 7357 B17R0.13612 CCCCOCCCCCCC(=O)OC(C)(C)C 7a_100048648013_100000210211 [0,1,1,0,0,0|2,0,0]=4 7358 B17R0.13612 CCCCSCCCCCCC(=O)OC(C)(C)C 62a_100000210211_100010989376 [0,1,1,0,0,0|2,0,0]=4 7359 B17R0.13612 CCCCSCCCCCCC(=O)OC(C)(C)C 62a_100010989376_100000210210 [0,1,1,0,0,0|2,0,0]=4 7360 B17R0.13612 CCCOCCCCCCCC(=O)OC(C)(C)C 34a_100000210258_100010978495 [0,1,1,0,0,0|2,0,0]=4 7361 B17R0.13612 CCCOCCCCCCCC(=O)OC(C)(C)C 34a_100032214103_100000210303 [0,1,1,0,0,0|2,0,0]=4 7362 B17R0.13612 CCCOCCCCCCCC(=O)OC(C)(C)C 7a_100032214103_100000210303 [0,1,1,0,0,0|2,0,0]=4 7363 B17R0.13612 CCCSCCCCCCCC(=O)OC(C)(C)C 62a_100000210303_100010978495 [0,1,1,0,0,0|2,0,0]=4 7364 B17R0.13612 CCCSCCCCCCCC(=O)OC(C)(C)C 62a_100010978495_100000210303 [0,1,1,0,0,0|2,0,0]=4 7365 B17R0.13612 CCNCCCCCCCCC(=O)OC(C)(C)C 2230a_100015525214_100134616357 [0,1,1,0,0,0|2,0,0]=4 7366 B17R0.13612 CCOCCCCCCCCC(=O)OC(C)(C)C 34a_100121572206_100134616357 [0,1,1,0,0,0|2,0,0]=4 7367 B17R0.13612 CCSCCCCCCCCC(=O)OC(C)(C)C 62a_100000210202_100134616357 [0,1,1,0,0,0|2,0,0]=4 7368 B17R0.13612 CCSCCCCCCCCC(=O)OC(C)(C)C 62a_100134616357_100000210202 [0,1,1,0,0,0|2,0,0]=4 7369 B17R0.13612 CNCCCCCCCCCC(=O)OC(C)(C)C 2230a_106832991635_100134615940 [0,1,1,0,0,0|2,0,0]=4 7370 B17R0.13612 CNCCCCCCCCCC(=O)OC(C)(C)C 34a_100102657272_100134615940 [0,1,1,0,0,0|2,0,0]=4 7371 B17R0.13612 CNCCCCCCCCCC(=O)OC(C)(C)C 7a_106832991635_100134615940 [0,1,1,0,0,0|2,0,0]=4 7372 B17R0.13612 COCCCCCCCCCC(=O)OC(C)(C)C 34a_100138415774_100134615940 [0,1,1,0,0,0|2,0,0]=4 7373 B17R0.13612 CSCCCCCCCCCC(=O)OC(C)(C)C 62a_100134615940_200000210301 [0,1,1,0,0,0|2,0,0]=4 7374 B17R0.13612 CSCCCCCCCCCC(=O)OC(C)(C)C 62a_200000210301_100134615940 [0,1,1,0,0,0|2,0,0]=4 7375 B17R0.13612 C[N+](C)(C)CC(=O)CCCCCCCCCCO 1458a_100000033712_100009813290 [0,1,1,0,0,0|2,0,0]=4 7376 B17R0.13612 C[Si](C)(C)CC(=O)CCCCCCCCCCO 1458a_100011218504_100009813290 [0,1,1,0,0,0|1,1,0]=4 7377 B17R0.13636 C=C(C)CN(C)C(C)CCCCCCCCCC 270004a_100000225649_200011219864 [0,1,1,0,0,0|2,0,0]=4 7378 B17R0.13636 C=C(CC(C)C)C(C)NCCCCCCCCC 269862a_100000212291_100009860644 [0,1,1,0,0,0|2,0,0]=4 7379 B17R0.13636 CCCCCCCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210319 [0,1,1,0,0,0|1,0,1]=4 7380 B17R0.13636 CCCCCCCCCCC(=O)C(C)OC(=O)C 1458a_100000210375_100009818208 [0,1,1,0,0,0|1,0,1]=4 7381 B17R0.13636 CCCCCCCCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210319 [0,1,1,0,0,0|1,0,1]=4 7382 B17R0.13636 CCCCCCCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210319 [0,1,1,0,0,0|1,0,1]=4 7383 B17R0.13636 CCCCCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_200011219864 [0,1,1,0,0,0|2,0,0]=4 7384 B17R0.13636 CCCCCCCCCCC(C)N(C)CC(C)C 270004a_100000747067_200011219864 [0,1,1,0,0,0|2,0,0]=4 7385 B17R0.13636 CCCCCCCCCCN(C)C(=O)CC(C)C 11a_100000207566_100000210554 [0,1,1,0,0,0|1,0,0]=3 7386 B17R0.13636 CCCCCCCCCCN(C)C(=O)CC(C)C 1626a_100000207566_100000210554 [0,1,1,0,0,0|1,0,0]=3 7387 B17R0.13636 CCCCCCCCCCN(C)C(=O)CC(C)C 240690a_100000207566_100000210554 [0,1,1,0,0,0|1,0,0]=3 7388 B17R0.13636 CCCCCCCCCCN(C)C(=O)CC(C)C 527a_100000207566_100000210554 [0,1,1,0,0,0|1,0,0]=3 7389 B17R0.13636 CCCCCCCCCCN(C)C(=O)CN(C)C 11a_100000207566_100000750896 [0,1,1,0,0,0|2,0,0]=4 7390 B17R0.13636 CCCCCCCCCCN(C)C(=O)CN(C)C 240690a_100000207566_100000750896 [0,1,1,0,0,0|2,0,0]=4 7391 B17R0.13636 CCCCCCCCCCN(C)C(=O)CN(C)C 527a_100000207566_100000750896 [0,1,1,0,0,0|2,0,0]=4 7392 B17R0.13636 CCCCCCCCCCN(C)C(=O)C[C@@H](C)O 240690a_100000207566_100011933948 [0,1,1,0,0,0|2,0,0]=4 7393 B17R0.13636 CCCCCCCCCCN(C)C(=O)C[S+](C)C 11a_100000207566_200159257847 [0,1,1,0,0,0|2,0,0]=4 7394 B17R0.13636 CCCCCCCCCCN(C)C(=O)C[S+](C)C 1626a_100000207566_200159257847 [0,1,1,0,0,0|2,0,0]=4 7395 B17R0.13636 CCCCCCCCCCN(C)C(=O)C[S+](C)C 240690a_100000207566_200159257847 [0,1,1,0,0,0|2,0,0]=4 7396 B17R0.13636 CCCCCCCCCCN(C)C(=O)C[S+](C)C 527a_100000207566_200159257847 [0,1,1,0,0,0|2,0,0]=4 7397 B17R0.13636 CCCCCCCCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000207566 [0,1,1,0,0,0|2,0,0]=4 7398 B17R0.13636 CCCCCCCCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000207566 [0,1,1,0,0,0|2,0,0]=4 7399 B17R0.13636 CCCCCCCCCCN(C)C(C)OC(=O)C 269982a_100000207566_100009818208 [0,1,1,0,0,0|2,0,0]=4 7400 B17R0.13636 CCCCCCCCCNC(C)C(=O)NC(C)C 2230a_100000212291_100000195394 [0,1,1,0,0,0|2,0,0]=4 7401 B17R0.13636 CCCCCCCCCNC(C)C(=O)NC(C)C 2230a_100015205314_100011214924 [0,1,1,0,0,0|2,0,0]=4 7402 B17R0.13636 CCCCCCCCCNC(C)C(=O)NC(C)C 34a_100000212291_100000195394 [0,1,1,0,0,0|2,0,0]=4 7403 B17R0.13636 CCCCCCCCCNC(C)C(=O)NC(C)C 34a_100015205314_100011214924 [0,1,1,0,0,0|2,0,0]=4 7404 B17R0.13636 CCCCCCCCCOC(C)C(=O)NC(C)C 34a_100000210712_100000195394 [0,1,1,0,0,0|2,0,0]=4 7405 B17R0.13636 CCCCCCCCCOC(C)C(=O)NC(C)C 7a_100000210712_100000195394 [0,1,1,0,0,0|2,0,0]=4 7406 B17R0.13636 CCCCCCCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100011214924 [0,1,1,0,0,0|2,0,0]=4 7407 B17R0.13636 CCCCCCCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210328 [0,1,1,0,0,0|2,0,0]=4 7408 B17R0.13636 CCCCCCCCCSC(C)C(=O)NC(C)C 62a_100000195394_100000210670 [0,1,1,0,0,0|2,0,0]=4 7409 B17R0.13636 CCCCCCCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210759 [0,1,1,0,0,0|2,0,0]=4 7410 B17R0.60 CCC(C)NC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000182745 [0,1,1,0,0,0|2,0,0]=4 7411 B17R0.60 CCC(C)NC(=O)CNCCCCCCC(C)C 34a_100000211014_100000182745 [0,1,1,0,0,0|2,0,0]=4 7412 B17R0.60 COC(=O)CC(C)OCCCCCCCC(C)C 34a_200000210741_100009817358 [0,1,1,0,0,0|2,0,0]=4 7413 B17R0.60 COC(=O)CC(C)OCCCCCCCC(C)C 7a_200000210741_100009817358 [0,1,1,0,0,0|2,0,0]=4 7414 B17R0.138 CCCCCCC(C)CCOC(C)CC(=O)OC 34a_200011024964_100009817358 [0,1,1,0,0,0|2,0,0]=4 7415 B17R0.138 CCCCCCC(C)CCOC(C)CC(=O)OC 7a_200011024964_100009817358 [0,1,1,0,0,0|2,0,0]=4 7416 B17R0.629 CCC(C)N(C)C(=O)CCCCCCCCCF 11a_100000741768_200009909015 [0,1,1,0,0,0|2,0,0]=4 7417 B17R0.629 CCC(C)N(C)C(=O)CCCCCCCCCF 240690a_100000741768_200009909015 [0,1,1,0,0,0|2,0,0]=4 7418 B17R0.629 CCC(C)N(C)C(=O)CCCCCCCCCF 527a_100000741768_200009909015 [0,1,1,0,0,0|2,0,0]=4 7419 B17R0.629 CCC(C)N(C)C(=O)CCCCCCCCCO 240690a_100000741768_100000032657 [0,1,1,0,0,0|2,0,0]=4 7420 B17R0.629 CCCCCCCCCCC(=O)C(C)C(=O)CC 1458a_100000210375_100000742827 [0,1,1,0,0,0|1,0,1]=4 7421 B17R0.629 CCCCCCCCCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210319 [0,1,1,0,0,0|1,0,0]=3 7422 B17R0.629 CCCCCCCCCCC(=O)N(C)C(C)CC 11a_100000741768_100000210375 [0,1,1,0,0,0|1,0,0]=3 7423 B17R0.629 CCCCCCCCCCC(=O)N(C)C(C)CC 1626a_100000741768_100000210375 [0,1,1,0,0,0|1,0,0]=3 7424 B17R0.629 CCCCCCCCCCC(=O)N(C)C(C)CC 240690a_100000741768_100000210375 [0,1,1,0,0,0|1,0,0]=3 7425 B17R0.629 CCCCCCCCCCC(=O)N(C)C(C)CO 240690a_100000693034_100000210375 [0,1,1,0,0,0|2,0,0]=4 7426 B17R0.629 CCCCCCCCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210319 [0,1,1,0,0,0|2,0,0]=4 7427 B17R0.629 CCCCCCCCCCN(C)C(C)C(=O)CC 2230a_100000207566_100000742827 [0,1,1,0,0,0|1,0,0]=3 7428 B17R0.629 CCCCCCCCCCN(C)C(C)C(=O)CC 269982a_100000207566_100000742827 [0,1,1,0,0,0|1,0,0]=3 7429 B17R0.629 CCCCCCCCCCN(C)C(C)C(=O)NC 2230a_100000207566_100000731044 [0,1,1,0,0,0|2,0,0]=4 7430 B17R0.629 CCCCCCCCCCN(C)C(C)C(=O)NC 269982a_100000207566_100000209862 [0,1,1,0,0,0|2,0,0]=4 7431 B17R0.629 CCCCCCCCCCN(C)C(C)C(=O)OC 2230a_100000207566_100000211248 [0,1,1,0,0,0|2,0,0]=4 7432 B17R0.629 CCCCCCCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210320 [0,1,1,0,0,0|2,0,0]=4 7433 B17R0.629 CCCCCCCCCCN(C)C(C)C(=O)OC 269982a_100000207566_100000211248 [0,1,1,0,0,0|2,0,0]=4 7434 B17R0.629 CCCCCCCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210320 [0,1,1,0,0,0|2,0,0]=4 7435 B17R0.629 CCCCCCCCCCN(C)C(C)C(C)CC 270004a_100000207566_100000210599 [0,1,1,0,0,0|2,0,0]=4 7436 B17R0.629 CCCCCCCCCCN(C)C(F)C(=O)NC 2230a_100000207566_100009813575 [0,1,1,0,0,0|2,0,0]=4 7437 B17R0.629 CCCCCCCCCCN(C)C(F)C(=O)NC 269982a_100000207566_100009813575 [0,1,1,0,0,0|2,0,0]=4 7438 B17R0.629 CCCCCCCCCNC(=O)C(C)N(C)CC 240690a_100000212291_100011281945 [0,1,1,0,0,0|2,0,0]=4 7439 B17R0.629 CCCCCCCCCNC(=O)C(C)N(C)CC 527a_100000212291_100011281945 [0,1,1,0,0,0|2,0,0]=4 7440 B17R0.629 CCCCCCCCCNC(=O)N(C)C(C)CC 2708a_100000212291_100000741768 [0,1,1,0,0,0|2,0,0]=4 7441 B17R0.629 CCCCCCCCCNC(=O)N(C)C(C)CC 273464a_100000212291_100000741768 [0,1,1,0,0,0|2,0,0]=4 7442 B17R0.629 CCCCCCCCCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100011214924 [0,1,1,0,0,0|2,0,0]=4 7443 B17R0.629 CCCCCCCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100011214924 [0,1,1,0,0,0|2,0,0]=4 7444 B17R0.629 CCCCCCCCOCC(=O)N(C)C(C)CC 11a_100000741768_100000759886 [0,1,1,0,0,0|2,0,0]=4 7445 B17R0.629 CCCCCCCCOCC(=O)N(C)C(C)CC 1626a_100000741768_100000759886 [0,1,1,0,0,0|2,0,0]=4 7446 B17R0.629 CCCCCCCCOCC(=O)N(C)C(C)CC 240690a_100000741768_100000759886 [0,1,1,0,0,0|2,0,0]=4 7447 B17R0.629 CCCCCCCCOCC(=O)N(C)C(C)CC 527a_100000741768_100000759886 [0,1,1,0,0,0|2,0,0]=4 7448 B17R0.629 CCN(C)C(C)C(=O)CCCCCCCCCO 1458a_100011281945_100009813782 [0,1,1,0,0,0|2,0,0]=4 7449 B17R0.2041 CCOC(=O)CCCCCCC(=O)CC(C)CC 1458a_100000031895_100000748023 [0,1,1,0,0,0|1,0,1]=4 7450 B17R0.2041 CCOC(=O)CCCCCCC(=O)CC(C)CC 1458a_100000708755_100009814379 [0,1,1,0,0,0|1,0,1]=4 7451 B17R0.2041 CCOC(=O)CCCCCCC(=O)C[C@@H](C)CC 1458a_100000031895_100009816398 [0,1,1,0,0,0|1,0,1]=4 7452 B17R0.3130 CCCCCCCCC(=O)CC(=O)NC(C)CC 1458a_100000210188_100000182745 [0,1,1,0,0,0|1,0,1]=4 7453 B17R0.3130 CCCCCCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210759 [0,1,1,0,0,0|1,0,1]=4 7454 B17R0.3130 CCCCCCCCC(C)CN(C)CC(=O)NC 270004a_100000189611_100011995885 [0,1,1,0,0,0|2,0,0]=4 7455 B17R0.3130 CCCCCCCCC(C)CN(C)CC(=O)OC 270004a_100000198492_100011995885 [0,1,1,0,0,0|2,0,0]=4 7456 B17R0.3130 CCCCCCCCC(C)CN(C)CC(C)CC 270004a_100000753921_100011995885 [0,1,1,0,0,0|2,0,0]=4 7457 B17R0.3130 CCCCCCCCC(C)OC(C)CC(=O)OC 34a_100000210740_100009817358 [0,1,1,0,0,0|2,0,0]=4 7458 B17R0.3130 CCCCCCCCC(C)OC(C)CC(=O)OC 7a_100000210740_100009817358 [0,1,1,0,0,0|2,0,0]=4 7459 B17R0.3130 CCCCCCCCN(C)CC(=O)NC(C)CC 2230a_100000207567_100000182745 [0,1,1,0,0,0|2,0,0]=4 7460 B17R0.3130 CCCCCCCCN(C)CC(=O)NC(C)CC 269982a_100000207567_100000182745 [0,1,1,0,0,0|2,0,0]=4 7461 B17R0.8611 C=CCCCCCCCCC(=O)CC(C)(C)CC 1458a_200000763500_100011933949 [0,1,1,0,0,0|0,0,2]=4 7462 B17R0.8611 C=CCCCCCCCCC(=O)CC(C)(O)CC 1458a_200011219800_100011933949 [0,1,1,0,0,0|0,0,2]=4 7463 B17R0.8611 CCC#CCCCCCCC(=O)CC(C)(C)CC 1458a_200000763500_200000036426 [0,1,1,0,0,0|0,0,2]=4 7464 B17R0.8611 CCC#CCCCCCCC(=O)CC(C)(O)CC 1458a_200011219800_200000036426 [0,1,1,0,0,0|0,0,2]=4 7465 B17R0.8611 CCC(C)(C)CC(=O)CCCCCCCCCO 1458a_200000763500_100009813782 [0,1,1,0,0,0|1,0,0]=3 7466 B17R0.8611 CCC(C)(C)CC(=O)NCCCCCCCCO 240690a_102515433106_200000763500 [0,1,1,0,0,0|2,0,0]=4 7467 B17R0.8611 CCC(C)(C)NC(=O)CCCCCCCCCF 11a_100000211385_200009909015 [0,1,1,0,0,0|2,0,0]=4 7468 B17R0.8611 CCC(C)(C)NC(=O)CCCCCCCCCF 240690a_100000211385_200009909015 [0,1,1,0,0,0|2,0,0]=4 7469 B17R0.8611 CCC(C)(C)NC(=O)CCCCCCCCCF 527a_100000211385_200009909015 [0,1,1,0,0,0|2,0,0]=4 7470 B17R0.8611 CCC(C)(C)NC(=O)CCCCCCCCCO 240690a_100000211385_100000032657 [0,1,1,0,0,0|2,0,0]=4 7471 B17R0.8611 CCC(C)(O)CC(=O)CCCCCCCCCO 1458a_200011219800_100009813782 [0,1,1,0,0,0|1,0,0]=3 7472 B17R0.8611 CCC(C)(O)CC(=O)NCCCCCCCCO 240690a_102515433106_200011219800 [0,1,1,0,0,0|2,0,0]=4 7473 B17R0.8611 CCCCCCCCCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210319 [0,1,1,0,0,0|0,0,0]=2 7474 B17R0.8611 CCCCCCCCCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210319 [0,1,1,0,0,0|0,0,0]=2 7475 B17R0.8611 CCCCCCCCCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210319 [0,1,1,0,0,0|2,0,0]=4 7476 B17R0.8611 CCCCCCCCCCC(=O)NC(C)(C)CC 11a_100000211385_100000210375 [0,1,1,0,0,0|1,0,0]=3 7477 B17R0.8611 CCCCCCCCCCC(=O)NC(C)(C)CC 1626a_100000211385_100000210375 [0,1,1,0,0,0|1,0,0]=3 7478 B17R0.8611 CCCCCCCCCCC(=O)NC(C)(C)CC 240690a_100000211385_100000210375 [0,1,1,0,0,0|1,0,0]=3 7479 B17R0.8611 CCCCCCCCCCC(=O)NC(C)(C)CO 240690a_100000210608_100000210375 [0,1,1,0,0,0|2,0,0]=4 7480 B17R0.8611 CCCCCCCCCNC(=O)CC(C)(C)CC 11a_100000212291_200000763500 [0,1,1,0,0,0|1,0,0]=3 7481 B17R0.8611 CCCCCCCCCNC(=O)CC(C)(C)CC 1626a_100000212291_200000763500 [0,1,1,0,0,0|1,0,0]=3 7482 B17R0.8611 CCCCCCCCCNC(=O)CC(C)(C)CC 240690a_100000212291_200000763500 [0,1,1,0,0,0|1,0,0]=3 7483 B17R0.8611 CCCCCCCCCNC(=O)CC(C)(C)CC 527a_100000212291_200000763500 [0,1,1,0,0,0|1,0,0]=3 7484 B17R0.8611 CCCCCCCCCNC(=O)CC(C)(O)CC 240690a_100000212291_200011219800 [0,1,1,0,0,0|1,0,0]=3 7485 B17R0.8611 CCCCCCCCCNC(=O)CC(C)(O)CC 527a_100000212291_200011219800 [0,1,1,0,0,0|1,0,0]=3 7486 B17R0.8611 CCCCCCCCCNC(=O)NC(C)(C)CC 2708a_100000212291_100000211385 [0,1,1,0,0,0|2,0,0]=4 7487 B17R0.8611 CCCCCCCCCNC(=O)NC(C)(C)CC 273464a_100000211385_100000212291 [0,1,1,0,0,0|2,0,0]=4 7488 B17R0.8611 CCCCCCCCCNC(=O)NC(C)(C)CC 273464a_100000212291_100000211385 [0,1,1,0,0,0|2,0,0]=4 7489 B17R0.8611 CCCCCCCCCNC(=O)NC(C)(C)CC 512a_100000211385_100000212291 [0,1,1,0,0,0|2,0,0]=4 7490 B17R0.8611 CCCCCCCCCNC(=O)NC(C)(C)CC 512a_100000212291_100000211385 [0,1,1,0,0,0|2,0,0]=4 7491 B17R0.8611 CCCCCCCCNCC(=O)NC(C)(C)CC 2230a_100000229939_100000230344 [0,1,1,0,0,0|2,0,0]=4 7492 B17R0.8611 CCCCCCCCNCC(=O)NC(C)(C)CC 34a_100000229939_100000230344 [0,1,1,0,0,0|2,0,0]=4 7493 B17R0.8611 CCCCCCCCOCC(=O)NC(C)(C)CC 11a_100000211385_100000759886 [0,1,1,0,0,0|2,0,0]=4 7494 B17R0.8611 CCCCCCCCOCC(=O)NC(C)(C)CC 1626a_100000211385_100000759886 [0,1,1,0,0,0|2,0,0]=4 7495 B17R0.8611 CCCCCCCCOCC(=O)NC(C)(C)CC 240690a_100000211385_100000759886 [0,1,1,0,0,0|2,0,0]=4 7496 B17R0.8611 CCCCCCCCOCC(=O)NC(C)(C)CC 34a_100000210232_100000230344 [0,1,1,0,0,0|2,0,0]=4 7497 B17R0.8611 CCCCCCCCOCC(=O)NC(C)(C)CC 527a_100000211385_100000759886 [0,1,1,0,0,0|2,0,0]=4 7498 B17R0.8611 CCCCCCCCOCC(=O)NC(C)(C)CC 7a_100000210232_100000230344 [0,1,1,0,0,0|2,0,0]=4 7499 B17R0.8611 CCCCCCCCSCC(=O)NC(C)(C)CC 62a_100000210759_100000230344 [0,1,1,0,0,0|2,0,0]=4 7500 B17R0.8611 CCCCCCCCSCC(=O)NC(C)(C)CC 62a_100000230344_100000210317 [0,1,1,0,0,0|2,0,0]=4 7501 B17R0.11339 CCC(C)CC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000748023 [0,1,1,0,0,0|1,0,1]=4 7502 B17R0.11339 CCC(C)CC(=O)CCCCCCCC(=O)OC 1458a_100000708755_100010004213 [0,1,1,0,0,0|1,0,1]=4 7503 B17R0.11339 CCC(C)CCCCCOCC(=O)NC(C)CC 7a_200000035636_100000182745 [0,1,1,0,0,0|2,0,0]=4 7504 B17R0.11339 CC[C@H](C)CC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100009816398 [0,1,1,0,0,0|1,0,1]=4 7505 B17R0.13610 CC(C)C(C)NC(=O)CCCCCCCCCF 11a_100000211541_200009909015 [0,1,1,0,0,0|2,0,0]=4 7506 B17R0.13610 CC(C)C(C)NC(=O)CCCCCCCCCF 240690a_100000211541_200009909015 [0,1,1,0,0,0|2,0,0]=4 7507 B17R0.13610 CC(C)C(C)NC(=O)CCCCCCCCCF 527a_100000211541_200009909015 [0,1,1,0,0,0|2,0,0]=4 7508 B17R0.13610 CC(C)C(C)NC(=O)CCCCCCCCCO 240690a_100000211541_100000032657 [0,1,1,0,0,0|2,0,0]=4 7509 B17R0.13610 CC(C)N(C)CC(=O)CCCCCCCCCO 1458a_100000743827_100009813782 [0,1,1,0,0,0|2,0,0]=4 7510 B17R0.13610 CC(CC(=O)CCCCCCCCCO)N(C)C 1458a_100011311895_100009813782 [0,1,1,0,0,0|2,0,0]=4 7511 B17R0.13610 CCCCCCCCCCC(=O)CC(=O)C(C)C 1458a_100000210375_100000753385 [0,1,1,0,0,0|1,0,1]=4 7512 B17R0.13610 CCCCCCCCCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210319 [0,1,1,0,0,0|1,0,0]=3 7513 B17R0.13610 CCCCCCCCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210319 [0,1,1,0,0,0|1,0,1]=4 7514 B17R0.13610 CCCCCCCCCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210319 [0,1,1,0,0,0|1,0,0]=3 7515 B17R0.13610 CCCCCCCCCCC(=O)NC(C)C(C)C 11a_100000211541_100000210375 [0,1,1,0,0,0|1,0,0]=3 7516 B17R0.13610 CCCCCCCCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000210375 [0,1,1,0,0,0|1,0,0]=3 7517 B17R0.13610 CCCCCCCCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000210375 [0,1,1,0,0,0|1,0,0]=3 7518 B17R0.13610 CCCCCCCCCCN(C)CC(=O)C(=O)C 269982a_100000207566_100011261029 [0,1,1,0,0,0|1,0,1]=4 7519 B17R0.13610 CCCCCCCCCCN(C)CC(=O)C(C)C 2230a_100000207566_100000753385 [0,1,1,0,0,0|1,0,0]=3 7520 B17R0.13610 CCCCCCCCCCN(C)CC(=O)C(C)C 269982a_100000207566_100000753385 [0,1,1,0,0,0|1,0,0]=3 7521 B17R0.13610 CCCCCCCCCCN(C)CC(=O)N(C)C 2230a_100000185065_100000210320 [0,1,1,0,0,0|2,0,0]=4 7522 B17R0.13610 CCCCCCCCCCN(C)CC(=O)N(C)C 2230a_100000207566_100000185267 [0,1,1,0,0,0|2,0,0]=4 7523 B17R0.13610 CCCCCCCCCCN(C)CC(=O)N(C)C 269982a_100000207566_100000185267 [0,1,1,0,0,0|2,0,0]=4 7524 B17R0.13610 CCCCCCCCCNC(=O)CC(C)N(C)C 1626a_100000212291_100011311895 [0,1,1,0,0,0|2,0,0]=4 7525 B17R0.13610 CCCCCCCCCNC(=O)CC(C)N(C)C 240690a_100000212291_100011311895 [0,1,1,0,0,0|2,0,0]=4 7526 B17R0.13610 CCCCCCCCCNC(=O)CN(C)C(C)C 11a_100000212291_100000743827 [0,1,1,0,0,0|2,0,0]=4 7527 B17R0.13610 CCCCCCCCCNC(=O)CN(C)C(C)C 1626a_100000212291_100000743827 [0,1,1,0,0,0|2,0,0]=4 7528 B17R0.13610 CCCCCCCCCNC(=O)CN(C)C(C)C 240690a_100000212291_100000743827 [0,1,1,0,0,0|2,0,0]=4 7529 B17R0.13610 CCCCCCCCCNC(=O)CN(C)C(C)C 527a_100000212291_100000743827 [0,1,1,0,0,0|2,0,0]=4 7530 B17R0.13610 CCCCCCCCCNC(=O)NC(C)C(C)C 2708a_100000211541_100000212291 [0,1,1,0,0,0|2,0,0]=4 7531 B17R0.13610 CCCCCCCCCNC(=O)NC(C)C(C)C 2708a_100000212291_100000211541 [0,1,1,0,0,0|2,0,0]=4 7532 B17R0.13610 CCCCCCCCCNC(=O)NC(C)C(C)C 273464a_100000211541_100000212291 [0,1,1,0,0,0|2,0,0]=4 7533 B17R0.13610 CCCCCCCCCNC(=O)NC(C)C(C)C 273464a_100000212291_100000211541 [0,1,1,0,0,0|2,0,0]=4 7534 B17R0.13610 CCCCCCCCCNC(=O)NC(C)C(C)C 512a_100000211541_100000212291 [0,1,1,0,0,0|2,0,0]=4 7535 B17R0.13610 CCCCCCCCCNC(=O)NC(C)C(C)C 512a_100000212291_100000211541 [0,1,1,0,0,0|2,0,0]=4 7536 B17R0.13610 CCCCCCCCOCC(=O)NC(C)C(C)C 11a_100000211541_100000759886 [0,1,1,0,0,0|2,0,0]=4 7537 B17R0.13610 CCCCCCCCOCC(=O)NC(C)C(C)C 1626a_100000211541_100000759886 [0,1,1,0,0,0|2,0,0]=4 7538 B17R0.13610 CCCCCCCCOCC(=O)NC(C)C(C)C 240690a_100000211541_100000759886 [0,1,1,0,0,0|2,0,0]=4 7539 B17R0.13610 CCCCCCCCOCC(=O)NC(C)C(C)C 527a_100000211541_100000759886 [0,1,1,0,0,0|2,0,0]=4 7540 B17R0.13613 CCCCCCCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210328 [0,1,1,0,0,0|2,0,0]=4 7541 B17R0.13613 CCCCCCCCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210328 [0,1,1,0,0,0|2,0,0]=4 7542 B17R0.13637 C#CCCCCCCCCC(=O)CC(CC)CC 1458a_100000029693_100011215472 [0,1,1,0,0,0|0,0,2]=4 7543 B17R0.13637 C=CCCCCCCCCC(=O)CC(CC)CC 1458a_100000211349_100011215472 [0,1,1,0,0,0|0,0,2]=4 7544 B17R0.13637 CC#CCCCCCCCC(=O)CC(CC)CC 1458a_100000066323_100011215472 [0,1,1,0,0,0|0,0,2]=4 7545 B17R0.13637 CCC(CC)CC(=O)CCCCCCCCCF 1458a_200009909015_100011215472 [0,1,1,0,0,0|1,0,0]=3 7546 B17R0.13637 CCC(CC)NC(=O)CCCCCCCCCF 11a_100000199018_200009909015 [0,1,1,0,0,0|2,0,0]=4 7547 B17R0.13637 CCC(CC)NC(=O)CCCCCCCCCF 240690a_100000199018_200009909015 [0,1,1,0,0,0|2,0,0]=4 7548 B17R0.13637 CCC(CC)NC(=O)CCCCCCCCCF 527a_100000199018_200009909015 [0,1,1,0,0,0|2,0,0]=4 7549 B17R0.13637 CCC(CC)NC(=O)CCCCCCCCCO 240690a_100000199018_100000032657 [0,1,1,0,0,0|2,0,0]=4 7550 B17R0.13637 CCCCCCCCC=CC(=O)CC(CC)CC 1458a_100015345288_100011215472 [0,1,1,0,0,0|0,0,2]=4 7551 B17R0.13637 CCCCCCCCCCC(=O)CC(CC)CC 1458a_100000210375_100011215472 [0,1,1,0,0,0|0,0,0]=2 7552 B17R0.13637 CCCCCCCCCCC(=O)CC(OC)OC 1458a_100000082724_100000210319 [0,1,1,0,0,0|1,0,0]=3 7553 B17R0.13637 CCCCCCCCCCC(=O)CC(OC)OC 1458a_100000210375_100000751394 [0,1,1,0,0,0|1,0,0]=3 7554 B17R0.13637 CCCCCCCCCCC(=O)CN(CC)CC 1458a_100000758533_100000210319 [0,1,1,0,0,0|1,0,0]=3 7555 B17R0.13637 CCCCCCCCCCC(=O)NC(CC)CC 11a_100000199018_100000210375 [0,1,1,0,0,0|1,0,0]=3 7556 B17R0.13637 CCCCCCCCCCC(=O)NC(CC)CC 1626a_100000199018_100000210375 [0,1,1,0,0,0|1,0,0]=3 7557 B17R0.13637 CCCCCCCCCCC(=O)NC(CC)CC 240690a_100000199018_100000210375 [0,1,1,0,0,0|1,0,0]=3 7558 B17R0.13637 CCCCCCCCCCC(=O)NC(CO)CO 240690a_100000759517_100000210375 [0,1,1,0,0,0|2,0,0]=4 7559 B17R0.13637 CCCCCCCCCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210375 [0,1,1,0,0,0|1,0,0]=3 7560 B17R0.13637 CCCCCCCCCCN(C)CC(CC)CC 2230a_100000207566_100011215472 [0,1,1,0,0,0|2,0,0]=4 7561 B17R0.13637 CCCCCCCCCCN(C)CC(CC)CC 269982a_100000207566_100011215472 [0,1,1,0,0,0|2,0,0]=4 7562 B17R0.13637 CCCCCCCCCCN(C)CC(CC)CC 270004a_100000207566_100000211137 [0,1,1,0,0,0|2,0,0]=4 7563 B17R0.13637 CCCCCCCCCNC(=O)CC(OC)OC 11a_100000212291_100000082724 [0,1,1,0,0,0|2,0,0]=4 7564 B17R0.13637 CCCCCCCCCNC(=O)CC(OC)OC 1626a_100000212291_100000082724 [0,1,1,0,0,0|2,0,0]=4 7565 B17R0.13637 CCCCCCCCCNC(=O)CC(OC)OC 240690a_100000212291_100000082724 [0,1,1,0,0,0|2,0,0]=4 7566 B17R0.13637 CCCCCCCCCNC(=O)CC(OC)OC 527a_100000212291_100000082724 [0,1,1,0,0,0|2,0,0]=4 7567 B17R0.13637 CCCCCCCCCNC(=O)CN(CC)CC 11a_100000212291_100000758533 [0,1,1,0,0,0|2,0,0]=4 7568 B17R0.13637 CCCCCCCCCNC(=O)CN(CC)CC 1626a_100000212291_100000758533 [0,1,1,0,0,0|2,0,0]=4 7569 B17R0.13637 CCCCCCCCCNC(=O)CN(CC)CC 240690a_100000212291_100000758533 [0,1,1,0,0,0|2,0,0]=4 7570 B17R0.13637 CCCCCCCCCNC(=O)CN(CC)CC 527a_100000212291_100000758533 [0,1,1,0,0,0|2,0,0]=4 7571 B17R0.13637 CCCCCCCCCNC(=O)NC(CC)CC 2708a_100000199018_100000212291 [0,1,1,0,0,0|2,0,0]=4 7572 B17R0.13637 CCCCCCCCCNC(=O)NC(CC)CC 2708a_100000212291_100000199018 [0,1,1,0,0,0|2,0,0]=4 7573 B17R0.13637 CCCCCCCCCNC(=O)NC(CC)CC 273464a_100000199018_100000212291 [0,1,1,0,0,0|2,0,0]=4 7574 B17R0.13637 CCCCCCCCCNC(=O)NC(CC)CC 273464a_100000212291_100000199018 [0,1,1,0,0,0|2,0,0]=4 7575 B17R0.13637 CCCCCCCCCNC(=O)NC(CC)CC 512a_100000199018_100000212291 [0,1,1,0,0,0|2,0,0]=4 7576 B17R0.13637 CCCCCCCCCNC(=O)NC(CC)CC 512a_100000212291_100000199018 [0,1,1,0,0,0|2,0,0]=4 7577 B17R0.13637 CCCCCCCCCNC(=O)N[C@@H](CC)CO 2708a_100000212291_100000709445 [0,1,1,0,0,0|2,0,0]=4 7578 B17R0.13637 CCCCCCCCCNC(=O)N[C@@H](CC)CO 273464a_100000212291_100000709445 [0,1,1,0,0,0|2,0,0]=4 7579 B17R0.13637 CCCCCCCCCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100000212291 [0,1,1,0,0,0|2,0,0]=4 7580 B17R0.13637 CCCCCCCCCNC(=O)N[C@@H](CC)CO 512a_100000212291_100000709445 [0,1,1,0,0,0|2,0,0]=4 7581 B17R0.13637 CCCCCCCCCNC(=O)N[C@@H](CC)CO 512a_100000709445_100000212291 [0,1,1,0,0,0|2,0,0]=4 7582 B17R0.13637 CCCCCCCCOCC(=O)CC(CC)CC 1458a_100000759886_100011215472 [0,1,1,0,0,0|1,0,0]=3 7583 B17R0.13637 CCCCCCCCOCC(=O)CC(OC)OC 1458a_100000759886_100000751394 [0,1,1,0,0,0|2,0,0]=4 7584 B17R0.13637 CCCCCCCCOCC(=O)NC(CC)CC 11a_100000199018_100000759886 [0,1,1,0,0,0|2,0,0]=4 7585 B17R0.13637 CCCCCCCCOCC(=O)NC(CC)CC 1626a_100000199018_100000759886 [0,1,1,0,0,0|2,0,0]=4 7586 B17R0.13637 CCCCCCCCOCC(=O)NC(CC)CC 240690a_100000199018_100000759886 [0,1,1,0,0,0|2,0,0]=4 7587 B17R0.13637 CCCCCCCCOCC(=O)NC(CC)CC 527a_100000199018_100000759886 [0,1,1,0,0,0|2,0,0]=4 7588 B17R0.13637 CCCCCCCCOCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000759886 [0,1,1,0,0,0|2,0,0]=4 7589 B17R0.13637 CCCCCCCCOCC(=O)N[C@@H](CC)CO 527a_100000709445_100000759886 [0,1,1,0,0,0|2,0,0]=4 7590 B17R0.13637 CCN(CC)CC(=O)CCCCCCCCCO 1458a_100000758533_100009813782 [0,1,1,0,0,0|2,0,0]=4 7591 B17R0.13637 CC[C@@H](CO)NC(=O)CCCCCCCCCF 240690a_100000709445_200009909015 [0,1,1,0,0,0|2,0,0]=4 7592 B17R0.13637 CC[C@@H](CO)NC(=O)CCCCCCCCCF 527a_100000709445_200009909015 [0,1,1,0,0,0|2,0,0]=4 7593 B17R0.13637 CC[C@@H](CO)NC(=O)CCCCCCCCCO 240690a_100000709445_100000032657 [0,1,1,0,0,0|2,0,0]=4 7594 B17R0.13637 COC(CC(=O)CCCCCCCCCF)OC 1458a_200009909015_100000751394 [0,1,1,0,0,0|2,0,0]=4 7595 B17R0.13637 COC(CC(=O)CCCCCCCCCO)OC 1458a_100000082724_100009813782 [0,1,1,0,0,0|2,0,0]=4 7596 B17R0.13758 CCCCCCCC(=O)NCC(=O)CC(C)CC 1458a_100000691742_100000748023 [0,1,1,0,0,0|1,0,1]=4 7597 B17R0.13758 CCCCCCCC(=O)NCC(=O)C[C@@H](C)CC 1458a_100000691742_100009816398 [0,1,1,0,0,0|1,0,1]=4 7598 B17R0.13758 CCCCCCCC(=O)OCC(=O)CC(C)CC 1458a_100000708755_100009852258 [0,1,1,0,0,0|1,0,1]=4 7599 B17R0.13758 CCCCCCCC(C)OCC(=O)NC(C)CC 34a_200011215852_100000182745 [0,1,1,0,0,0|2,0,0]=4 7600 B17R0.13758 CCCCCCCC(C)OCC(=O)NC(C)CC 7a_200011215852_100000182745 [0,1,1,0,0,0|2,0,0]=4 7601 B17R0.13758 CCCCCCCC(C)SCC(=O)NC(C)CC 62a_100000182745_200011218727 [0,1,1,0,0,0|2,0,0]=4 7602 B17R0.13758 CCCCCCCC(C)SCC(=O)NC(C)CC 62a_200011218727_100000182745 [0,1,1,0,0,0|2,0,0]=4 7603 B17R0.14246 CCCCCCCCCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210670 [0,1,1,0,0,0|1,0,1]=4 7604 B17R0.14246 CCCCCCCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210670 [0,1,1,0,0,0|1,0,1]=4 7605 B17R0.14246 CCCCCCCCCC(=O)C(C)NC(=O)CC 1458a_100000194823_100000210670 [0,1,1,0,0,0|1,0,1]=4 7606 B17R0.14246 CCCCCCCCCC(=O)N(C)CC(=O)CC 1458a_200102513296_100000210202 [0,1,1,0,0,0|1,0,1]=4 7607 B17R0.14246 CCCCCCCCCC(C)N(C)CC(=O)NC 270004a_100000189611_100011215753 [0,1,1,0,0,0|2,0,0]=4 7608 B17R0.14246 CCCCCCCCCC(C)N(C)CC(=O)OC 270004a_100000198492_100011215753 [0,1,1,0,0,0|2,0,0]=4 7609 B17R0.14246 CCCCCCCCCC(C)N(C)CC(C)CC 270004a_100000753921_100011215753 [0,1,1,0,0,0|2,0,0]=4 7610 B17R0.14246 CCCCCCCCCN(C)C(=O)CC(C)CC 11a_100000232482_100000708755 [0,1,1,0,0,0|1,0,0]=3 7611 B17R0.14246 CCCCCCCCCN(C)C(=O)CC(C)CC 1626a_100000232482_100000708755 [0,1,1,0,0,0|1,0,0]=3 7612 B17R0.14246 CCCCCCCCCN(C)C(=O)CC(C)CC 240690a_100000232482_100000708755 [0,1,1,0,0,0|1,0,0]=3 7613 B17R0.14246 CCCCCCCCCN(C)C(=O)CC(C)CC 527a_100000232482_100000708755 [0,1,1,0,0,0|1,0,0]=3 7614 B17R0.14246 CCCCCCCCCN(C)C(=O)CC(O)CC 1626a_100000232482_100011667805 [0,1,1,0,0,0|2,0,0]=4 7615 B17R0.14246 CCCCCCCCCN(C)C(=O)CC(O)CC 240690a_100000232482_100011667805 [0,1,1,0,0,0|2,0,0]=4 7616 B17R0.14246 CCCCCCCCCN(C)C(=O)CN(C)CC 240690a_100000232482_100116209913 [0,1,1,0,0,0|2,0,0]=4 7617 B17R0.14246 CCCCCCCCCN(C)C(=O)CN(C)CC 527a_100000232482_100116209913 [0,1,1,0,0,0|2,0,0]=4 7618 B17R0.14246 CCCCCCCCCN(C)C(=O)NC(C)CC 2708a_100000209981_100000232482 [0,1,1,0,0,0|2,0,0]=4 7619 B17R0.14246 CCCCCCCCCN(C)C(=O)NC(C)CC 273464a_100000209981_100000232482 [0,1,1,0,0,0|2,0,0]=4 7620 B17R0.14246 CCCCCCCCCN(C)C(C)CC(=O)NC 2230a_100015186911_100011214924 [0,1,1,0,0,0|2,0,0]=4 7621 B17R0.14246 CCCCCCCCCN(C)C(C)CC(=O)NC 269982a_100015186911_100000210670 [0,1,1,0,0,0|2,0,0]=4 7622 B17R0.14246 CCCCCCCCCN(C)C(C)CC(=O)OC 2230a_100000232482_100009817358 [0,1,1,0,0,0|2,0,0]=4 7623 B17R0.14246 CCCCCCCCCN(C)C(C)CC(=O)OC 269982a_100000232482_100009817358 [0,1,1,0,0,0|2,0,0]=4 7624 B17R0.14246 CCCCCCCCNC(C)C(=O)NC(C)CC 2230a_100000229939_100000735909 [0,1,1,0,0,0|2,0,0]=4 7625 B17R0.14246 CCCCCCCCOC(C)C(=O)NC(C)CC 7a_100000210232_100000735909 [0,1,1,0,0,0|2,0,0]=4 7626 B17R0.14246 CCCCCCCCSC(C)C(=O)NC(C)CC 62a_100000210759_100000735909 [0,1,1,0,0,0|2,0,0]=4 7627 B17R0.14246 CCCCCCCCSC(C)C(=O)NC(C)CC 62a_100000735909_100000210317 [0,1,1,0,0,0|2,0,0]=4 7628 B17R0.14301 CCCCC(C)CCCCOC(C)CC(=O)OC 34a_200011021034_100009817358 [0,1,1,0,0,0|2,0,0]=4 7629 B17R0.14301 CCCCC(C)CCCCOC(C)CC(=O)OC 7a_200011021034_100009817358 [0,1,1,0,0,0|2,0,0]=4 7630 B17R0.41415 CCCCCCCCCCS(=O)(=O)NC(C)CC 270084a_100000209981_200011217601 [0,1,1,0,0,0|2,0,0]=4 7631 B17R0.41415 CCCCCCCCCCS(=O)(=O)NC(C)CC 274078a_100000209981_200011217601 [0,1,1,0,0,0|2,0,0]=4 7632 B17R0.41415 CCCCCCCCCOC(C)(C)CC(=O)OC 7a_100015205050_100000210328 [0,1,1,0,0,0|2,0,0]=4 7633 B17R0.314 CCCCC(C)NC(=O)CCCCCCC(C)C 11a_100000126638_100000040743 [0,1,1,0,0,0|1,0,0]=3 7634 B17R0.314 CCCCC(C)NC(=O)CCCCCCC(C)C 1626a_100000126638_100000040743 [0,1,1,0,0,0|1,0,0]=3 7635 B17R0.314 CCCCC(C)NC(=O)CCCCCCC(C)C 240690a_100000126638_100000040743 [0,1,1,0,0,0|1,0,0]=3 7636 B17R0.314 CCCCC(C)NC(=O)CCCCCCC(C)C 527a_100000126638_100000040743 [0,1,1,0,0,0|1,0,0]=3 7637 B17R0.314 CCCCC(C)NC(=O)NCCCCCC(C)C 2708a_100000126638_100011290863 [0,1,1,0,0,0|2,0,0]=4 7638 B17R0.314 CCCCC(C)NC(=O)NCCCCCC(C)C 2708a_100011290863_100000126638 [0,1,1,0,0,0|2,0,0]=4 7639 B17R0.314 CCCCC(C)NC(=O)NCCCCCC(C)C 273464a_100000126638_100011290863 [0,1,1,0,0,0|2,0,0]=4 7640 B17R0.314 CCCCC(C)NC(=O)NCCCCCC(C)C 273464a_100011290863_100000126638 [0,1,1,0,0,0|2,0,0]=4 7641 B17R0.314 CCCCC(C)NC(=O)NCCCCCC(C)C 512a_100000126638_100011290863 [0,1,1,0,0,0|2,0,0]=4 7642 B17R0.314 CCCCC(C)NC(=O)NCCCCCC(C)C 512a_100011290863_100000126638 [0,1,1,0,0,0|2,0,0]=4 7643 B17R0.801 CCCCCCCCS(=O)(=O)NC(C)CCCC 270084a_100000126638_100011218563 [0,1,1,0,0,0|2,0,0]=4 7644 B17R0.801 CCCCCCCCS(=O)(=O)NC(C)CCCC 274078a_100000126638_100011218563 [0,1,1,0,0,0|2,0,0]=4 7645 B17R0.1020 CC(C)CCC(C)NC(=O)CCCCCCCO 240690a_100138410893_100011219782 [0,1,1,0,0,0|2,0,0]=4 7646 B17R0.1020 CCCCCCCCC(=O)CC(C)CSC(=O)C 1458a_100000210188_200000116872 [0,1,1,0,0,0|1,0,1]=4 7647 B17R0.1020 CCCCCCCCC(=O)NC(C)CCC(C)C 11a_100138410893_100000210188 [0,1,1,0,0,0|1,0,0]=3 7648 B17R0.1020 CCCCCCCCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000210188 [0,1,1,0,0,0|1,0,0]=3 7649 B17R0.1020 CCCCCCCCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000210188 [0,1,1,0,0,0|1,0,0]=3 7650 B17R0.1020 CCCCCCCCC(=O)NC(C)CCC(C)C 527a_100138410893_100000210188 [0,1,1,0,0,0|1,0,0]=3 7651 B17R0.1020 CCCCCCCCC(C)CN(C)CCC(C)C 270004a_100000742789_100011995885 [0,1,1,0,0,0|2,0,0]=4 7652 B17R0.1020 CCCCCCCCN(C)CC(=O)NCC(C)C 2230a_100000207567_100000183291 [0,1,1,0,0,0|2,0,0]=4 7653 B17R0.1020 CCCCCCCCN(C)CC(=O)NCC(C)C 269982a_100000207567_100000183291 [0,1,1,0,0,0|2,0,0]=4 7654 B17R0.1020 CCCCCCCNC(=O)NC(C)CCC(C)C 2708a_100000229938_100138410893 [0,1,1,0,0,0|2,0,0]=4 7655 B17R0.1020 CCCCCCCNC(=O)NC(C)CCC(C)C 2708a_100138410893_100000229938 [0,1,1,0,0,0|2,0,0]=4 7656 B17R0.1020 CCCCCCCNC(=O)NC(C)CCC(C)C 273464a_100138410893_100000229938 [0,1,1,0,0,0|2,0,0]=4 7657 B17R0.1020 CCCCCCCNC(=O)NC(C)CCC(C)C 512a_100000229938_100138410893 [0,1,1,0,0,0|2,0,0]=4 7658 B17R0.1020 CCCCCCCNC(=O)NC(C)CCC(C)C 512a_100138410893_100000229938 [0,1,1,0,0,0|2,0,0]=4 7659 B17R0.1020 CCCCCCNCC(=O)NC(C)CCC(C)C 2230a_100000210581_100000229880 [0,1,1,0,0,0|2,0,0]=4 7660 B17R0.1020 CCCCCCOCC(=O)NC(C)CCC(C)C 34a_100000210259_100000229880 [0,1,1,0,0,0|2,0,0]=4 7661 B17R0.1020 CCCCCCOCC(=O)NC(C)CCC(C)C 7a_100000210259_100000229880 [0,1,1,0,0,0|2,0,0]=4 7662 B17R0.1020 CCCCCCSCC(=O)NC(C)CCC(C)C 62a_100000210314_100000229880 [0,1,1,0,0,0|2,0,0]=4 7663 B17R0.1020 CCCCCCSCC(=O)NC(C)CCC(C)C 62a_100000229880_100000210757 [0,1,1,0,0,0|2,0,0]=4 7664 B17R0.5504 CCCCCCCCN(C)C(C)C(=O)NCCC 2230a_100000207567_100000230305 [0,1,1,0,0,0|2,0,0]=4 7665 B17R0.5504 CCCCCCCCN(C)C(C)C(=O)NCCC 269982a_100000207567_100000230305 [0,1,1,0,0,0|2,0,0]=4 7666 B17R0.5504 CCCCCCCCN(C)C(C)C(=O)OCCC 2230a_100000207567_100000760410 [0,1,1,0,0,0|2,0,0]=4 7667 B17R0.5504 CCCCCCCCN(C)C(C)C(=O)OCCC 269982a_100000207567_100000760410 [0,1,1,0,0,0|2,0,0]=4 7668 B17R0.5957 CCCCCCCC(C)N(C)CC(=O)NCCC 2230a_100000684209_200011218727 [0,1,1,0,0,0|2,0,0]=4 7669 B17R0.5957 CCCCCCCC(C)N(C)CC(=O)NCCC 269982a_100000684209_200011218727 [0,1,1,0,0,0|2,0,0]=4 7670 B17R0.5957 CCCCCCCC(C)N(C)CC(=O)NCCC 270004a_100000684209_100000210596 [0,1,1,0,0,0|2,0,0]=4 7671 B17R0.5957 CCCCCCCN(C)C(=O)NC(C)CCCC 2708a_100000126638_100000228206 [0,1,1,0,0,0|2,0,0]=4 7672 B17R0.5957 CCCCCCCN(C)C(=O)NC(C)CCCC 273464a_100000126638_100000228206 [0,1,1,0,0,0|2,0,0]=4 7673 B17R0.6112 CCCCCC(C)CCC(=O)NC(C)CCCC 11a_100000126638_100000034243 [0,1,1,0,0,0|1,0,0]=3 7674 B17R0.6112 CCCCCC(C)CCC(=O)NC(C)CCCC 1626a_100000126638_100000034243 [0,1,1,0,0,0|1,0,0]=3 7675 B17R0.6112 CCCCCC(C)CCC(=O)NC(C)CCCC 240690a_100000126638_100000034243 [0,1,1,0,0,0|1,0,0]=3 7676 B17R0.6112 CCCCCC(C)CCC(=O)NC(C)CCCC 527a_100000126638_100000034243 [0,1,1,0,0,0|1,0,0]=3 7677 B17R0.6112 CCCCCN(C)CCC(=O)NC(C)CCCC 240690a_100000126638_100016987678 [0,1,1,0,0,0|2,0,0]=4 7678 B17R0.6454 CCCCCCCCC(=O)C[Si](C)(C)CCCC 1458a_100000210188_200000073895 [0,1,1,0,0,0|0,1,0]=3 7679 B17R0.6454 CCCC[Si](C)(C)CC(=O)CCCCCCCO 1458a_100011219782_200000073895 [0,1,1,0,0,0|1,1,0]=4 7680 B17R0.13685 C#CCCCCCCC(=O)CC(CC)CCCC 1458a_100000034748_100000211942 [0,1,1,0,0,0|0,0,2]=4 7681 B17R0.13685 C=CCCCCCCC(=O)CC(CC)CCCC 1458a_100011809334_100000211942 [0,1,1,0,0,0|0,0,2]=4 7682 B17R0.13685 CCCCC(CC)CC(=O)CCCCCCCO 1458a_100011219782_100000211942 [0,1,1,0,0,0|1,0,0]=3 7683 B17R0.13685 CCCCC/C=C/CC(=O)CC(CC)CCCC 1458a_100020675968_100000211942 [0,1,1,0,0,0|0,0,2]=4 7684 B17R0.13685 CCCCCCC=CC(=O)CC(CC)CCCC 1458a_200015324643_100000211942 [0,1,1,0,0,0|0,0,2]=4 7685 B17R0.13685 CCCCCCCCC(=O)CC(CC)CCCC 1458a_100000210188_100000211942 [0,1,1,0,0,0|0,0,0]=2 7686 B17R0.13685 CCCCCCCCC(=O)N[C@H](CO)CCCC 240690a_100011934283_100000210188 [0,1,1,0,0,0|1,0,0]=3 7687 B17R0.13685 CCCCCCCCC(=O)N[C@H](CO)CCCC 527a_100011934283_100000210188 [0,1,1,0,0,0|1,0,0]=3 7688 B17R0.13685 CCCCCCCCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000210188 [0,1,1,0,0,0|2,0,0]=4 7689 B17R0.13685 CCCCCCCCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000210188 [0,1,1,0,0,0|2,0,0]=4 7690 B17R0.13685 CCCCCCCCC(C)CN(CC)CCCC 270004a_100000207695_100011995885 [0,1,1,0,0,0|2,0,0]=4 7691 B17R0.13685 CCCCCCCCN(C)CC(CC)CCCC 2230a_100000207567_100000211942 [0,1,1,0,0,0|2,0,0]=4 7692 B17R0.13685 CCCCCCCCN(C)CC(CC)CCCC 269982a_100000207567_100000211942 [0,1,1,0,0,0|2,0,0]=4 7693 B17R0.13685 CCCCCCCCN(C)CC(CC)CCCC 270004a_100000207567_100011219736 [0,1,1,0,0,0|2,0,0]=4 7694 B17R0.13685 CCCCCCCNC(=O)N[C@H](CO)CCCC 2708a_100000229938_100011934283 [0,1,1,0,0,0|2,0,0]=4 7695 B17R0.13685 CCCCCCCNC(=O)N[C@H](CO)CCCC 273464a_100000229938_100011934283 [0,1,1,0,0,0|2,0,0]=4 7696 B17R0.13685 CCCCCCCNC(=O)N[C@H](CO)CCCC 273464a_100011934283_100000229938 [0,1,1,0,0,0|2,0,0]=4 7697 B17R0.13685 CCCCCCCNC(=O)N[C@H](CO)CCCC 512a_100000229938_100011934283 [0,1,1,0,0,0|2,0,0]=4 7698 B17R0.13685 CCCCCCCNC(=O)N[C@H](CO)CCCC 512a_100011934283_100000229938 [0,1,1,0,0,0|2,0,0]=4 7699 B17R0.13685 CCCC[C@@H](CO)NC(=O)CCCCCCCO 240690a_100011934283_100011219782 [0,1,1,0,0,0|2,0,0]=4 7700 B17R0.14341 CCCCCC(C)NC(=O)CCCCCCCO 240690a_100000211957_100011219782 [0,1,1,0,0,0|2,0,0]=4 7701 B17R0.14341 CCCCCCCCC(=O)CC(=O)CCCCC 1458a_100000210188_200012276598 [0,1,1,0,0,0|1,0,1]=4 7702 B17R0.14341 CCCCCCCCC(=O)CC(=O)NCCCC 1458a_100000210188_100000182744 [0,1,1,0,0,0|1,0,1]=4 7703 B17R0.14341 CCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000210188_100000211628 [0,1,1,0,0,0|1,0,1]=4 7704 B17R0.14341 CCCCCCCCC(=O)NC(C)CCCCC 11a_100000211957_100000210188 [0,1,1,0,0,0|1,0,0]=3 7705 B17R0.14341 CCCCCCCCC(=O)NC(C)CCCCC 1626a_100000211957_100000210188 [0,1,1,0,0,0|1,0,0]=3 7706 B17R0.14341 CCCCCCCCC(=O)NC(C)CCCCC 240690a_100000211957_100000210188 [0,1,1,0,0,0|1,0,0]=3 7707 B17R0.14341 CCCCCCCCC(=O)NC(C)CCCCC 527a_100000211957_100000210188 [0,1,1,0,0,0|1,0,0]=3 7708 B17R0.14341 CCCCCCCCC(C)CN(C)CCCCC 270004a_100000223495_100011995885 [0,1,1,0,0,0|2,0,0]=4 7709 B17R0.14341 CCCCCCCCC(C)CN(C)CCCCO 270004a_100000717598_100011995885 [0,1,1,0,0,0|2,0,0]=4 7710 B17R0.14341 CCCCCCCCC(C)CN(C)CCCOC 270004a_100000224831_100011995885 [0,1,1,0,0,0|2,0,0]=4 7711 B17R0.14341 CCCCCCCCN(C)CC(=O)CCCCC 2230a_100000207567_200012276598 [0,1,1,0,0,0|1,0,0]=3 7712 B17R0.14341 CCCCCCCCN(C)CC(=O)CCCCC 269982a_100000207567_200012276598 [0,1,1,0,0,0|1,0,0]=3 7713 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCCC 2230a_100000207567_100000182744 [0,1,1,0,0,0|1,0,0]=3 7714 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCCC 2230a_200000213093_100000210759 [0,1,1,0,0,0|1,0,0]=3 7715 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCCC 269982a_100000207567_100000182744 [0,1,1,0,0,0|1,0,0]=3 7716 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCCC 269982a_200000213093_100000210759 [0,1,1,0,0,0|1,0,0]=3 7717 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCOC 2230a_100000207567_100000183275 [0,1,1,0,0,0|2,0,0]=4 7718 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCOC 2230a_100020672463_100000210759 [0,1,1,0,0,0|2,0,0]=4 7719 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCOC 269982a_100000207567_100000183275 [0,1,1,0,0,0|2,0,0]=4 7720 B17R0.14341 CCCCCCCCN(C)CC(=O)NCCOC 269982a_100020672463_100000210759 [0,1,1,0,0,0|2,0,0]=4 7721 B17R0.14341 CCCCCCCCN(C)CC(=O)OCCCC 2230a_100000207567_100000211628 [0,1,1,0,0,0|1,0,0]=3 7722 B17R0.14341 CCCCCCCCN(C)CC(=O)OCCCC 269982a_100000207567_100000211628 [0,1,1,0,0,0|1,0,0]=3 7723 B17R0.14341 CCCCCCCCN(C)CC(=O)OCCOC 2230a_100000207567_200000040189 [0,1,1,0,0,0|2,0,0]=4 7724 B17R0.14341 CCCCCCCCN(C)CC(=O)OCCOC 269982a_100000207567_200000040189 [0,1,1,0,0,0|2,0,0]=4 7725 B17R0.14341 CCCCCCCNC(=O)NC(C)CCCCC 2708a_100000211957_100000229938 [0,1,1,0,0,0|2,0,0]=4 7726 B17R0.14341 CCCCCCCNC(=O)NC(C)CCCCC 2708a_100000229938_100000211957 [0,1,1,0,0,0|2,0,0]=4 7727 B17R0.14341 CCCCCCCNC(=O)NC(C)CCCCC 273464a_100000211957_100000229938 [0,1,1,0,0,0|2,0,0]=4 7728 B17R0.14341 CCCCCCCNC(=O)NC(C)CCCCC 273464a_100000229938_100000211957 [0,1,1,0,0,0|2,0,0]=4 7729 B17R0.14341 CCCCCCCNC(=O)NC(C)CCCCC 512a_100000211957_100000229938 [0,1,1,0,0,0|2,0,0]=4 7730 B17R0.14341 CCCCCCCNC(=O)NC(C)CCCCC 512a_100000229938_100000211957 [0,1,1,0,0,0|2,0,0]=4 7731 B17R0.14341 CCCCCCNCC(=O)NC(C)CCCCC 2230a_100000210581_100000230335 [0,1,1,0,0,0|2,0,0]=4 7732 B17R0.14341 CCCCCCNCC(=O)OC(C)CCCCC 2230a_100000210581_200000092394 [0,1,1,0,0,0|2,0,0]=4 7733 B17R0.14341 CCCCCCOCC(=O)NC(C)CCCCC 34a_100000210259_100000230335 [0,1,1,0,0,0|2,0,0]=4 7734 B17R0.14341 CCCCCCOCC(=O)NC(C)CCCCC 7a_100000210259_100000230335 [0,1,1,0,0,0|2,0,0]=4 7735 B17R0.14341 CCCCCCOCC(=O)OC(C)CCCCC 34a_100000210259_200000092394 [0,1,1,0,0,0|2,0,0]=4 7736 B17R0.14341 CCCCCCOCC(=O)OC(C)CCCCC 7a_100000210259_200000092394 [0,1,1,0,0,0|2,0,0]=4 7737 B17R0.14341 CCCCCCSCC(=O)NC(C)CCCCC 62a_100000210314_100000230335 [0,1,1,0,0,0|2,0,0]=4 7738 B17R0.14341 CCCCCCSCC(=O)NC(C)CCCCC 62a_100000230335_100000210757 [0,1,1,0,0,0|2,0,0]=4 7739 B17R0.14341 CCCCCCSCC(=O)OC(C)CCCCC 62a_100000210314_200000092394 [0,1,1,0,0,0|2,0,0]=4 7740 B17R0.14341 CCCCCCSCC(=O)OC(C)CCCCC 62a_200000092394_100000210757 [0,1,1,0,0,0|2,0,0]=4 7741 B17R0.14341 CCCCNC(=O)CN(C)CCCCCCCO 2230a_200000213093_100000760002 [0,1,1,0,0,0|2,0,0]=4 7742 B17R0.14341 CCCCNC(=O)CN(C)CCCCCCCO 269982a_200000213093_100000760002 [0,1,1,0,0,0|2,0,0]=4 7743 B17R0.14341 CCCCNC(=O)CN(C)CCCCCCOC 2230a_200000213093_100011998445 [0,1,1,0,0,0|2,0,0]=4 7744 B17R0.14341 CCCCNC(=O)CN(C)CCCCCCOC 269982a_200000213093_100011998445 [0,1,1,0,0,0|2,0,0]=4 7745 B17R0.232 CC(C)CCCC(C)NC(=O)CCCCCCO 240690a_100000210607_100011996774 [0,1,1,0,0,0|2,0,0]=4 7746 B17R0.232 CCCCCCCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000210614 [0,1,1,0,0,0|0,0,2]=4 7747 B17R0.232 CCCCCCCC(=O)NC(C)CCCC(C)C 11a_100000210607_100000211969 [0,1,1,0,0,0|1,0,0]=3 7748 B17R0.232 CCCCCCCC(=O)NC(C)CCCC(C)C 1626a_100000210607_100000211969 [0,1,1,0,0,0|1,0,0]=3 7749 B17R0.232 CCCCCCCC(=O)NC(C)CCCC(C)C 240690a_100000210607_100000211969 [0,1,1,0,0,0|1,0,0]=3 7750 B17R0.232 CCCCCCCC(=O)NC(C)CCCC(C)C 527a_100000210607_100000211969 [0,1,1,0,0,0|1,0,0]=3 7751 B17R0.232 CCCCCCCC(O)CC(=O)CCCC(=O)C 1458a_200011667753_100011215641 [0,1,1,0,0,0|1,0,1]=4 7752 B17R0.232 CCCCCCCC(O)CC(=O)CCCC(C)C 1458a_200011667753_100011214892 [0,1,1,0,0,0|1,0,0]=3 7753 B17R0.232 CCCCCCCC(O)CC(=O)CCCC(C)O 1458a_200011667753_200000718107 [0,1,1,0,0,0|1,0,0]=3 7754 B17R0.232 CCCCCCCC(O)CC(=O)CCCN(C)C 1458a_200011667753_100000695564 [0,1,1,0,0,0|2,0,0]=4 7755 B17R0.232 CCCCCCCC(O)CC(=O)CCOC(C)C 1458a_200011667753_100000211751 [0,1,1,0,0,0|2,0,0]=4 7756 B17R0.232 CCCCCCCC(O)CC(=O)CCSC(C)C 1458a_200011667753_100000730970 [0,1,1,0,0,0|2,0,0]=4 7757 B17R0.232 CCCCCCCC(O)CC(=O)NCCC(C)C 1626a_100000210545_200011667753 [0,1,1,0,0,0|2,0,0]=4 7758 B17R0.232 CCCCCCCC(O)CC(=O)NCCC(C)C 240690a_100000210545_200011667753 [0,1,1,0,0,0|2,0,0]=4 7759 B17R0.232 CCCCCCCC(O)CC(=O)NCCC(C)O 240690a_200000755665_200011667753 [0,1,1,0,0,0|2,0,0]=4 7760 B17R0.232 CCCCCCNC(=O)NC(C)CCCC(C)C 2708a_100000210581_100000210607 [0,1,1,0,0,0|2,0,0]=4 7761 B17R0.232 CCCCCCNC(=O)NC(C)CCCC(C)C 2708a_100000210607_100000210581 [0,1,1,0,0,0|2,0,0]=4 7762 B17R0.232 CCCCCCNC(=O)NC(C)CCCC(C)C 273464a_100000210607_100000210581 [0,1,1,0,0,0|2,0,0]=4 7763 B17R0.232 CCCCCCNC(=O)NC(C)CCCC(C)C 512a_100000210581_100000210607 [0,1,1,0,0,0|2,0,0]=4 7764 B17R0.232 CCCCCCNC(=O)NC(C)CCCC(C)C 512a_100000210607_100000210581 [0,1,1,0,0,0|2,0,0]=4 7765 B17R0.232 CCCCCNCC(=O)NC(C)CCCC(C)C 2230a_100000209983_100000230334 [0,1,1,0,0,0|2,0,0]=4 7766 B17R0.232 CCCCCOCC(=O)NC(C)CCCC(C)C 34a_100000210253_100000230334 [0,1,1,0,0,0|2,0,0]=4 7767 B17R0.232 CCCCCOCC(=O)NC(C)CCCC(C)C 7a_100000210253_100000230334 [0,1,1,0,0,0|2,0,0]=4 7768 B17R0.232 CCCCCSCC(=O)NC(C)CCCC(C)C 62a_100000210326_100000230334 [0,1,1,0,0,0|2,0,0]=4 7769 B17R0.232 CCCCCSCC(=O)NC(C)CCCC(C)C 62a_100000230334_100000210326 [0,1,1,0,0,0|2,0,0]=4 7770 B17R0.232 COCCCCCC(=O)NC(C)CCCC(C)C 11a_100000210607_100011935119 [0,1,1,0,0,0|2,0,0]=4 7771 B17R0.232 COCCCCCC(=O)NC(C)CCCC(C)C 1626a_100000210607_100011935119 [0,1,1,0,0,0|2,0,0]=4 7772 B17R0.232 COCCCCCC(=O)NC(C)CCCC(C)C 240690a_100000210607_100011935119 [0,1,1,0,0,0|2,0,0]=4 7773 B17R0.232 COCCCCCC(=O)NC(C)CCCC(C)C 527a_100000210607_100011935119 [0,1,1,0,0,0|2,0,0]=4 7774 B17R0.588 CCCCCC(=O)CC(=O)CCC(C)CCCC 1458a_100000033779_200012276598 [0,1,1,0,0,0|1,0,1]=4 7775 B17R0.588 CCCCCC(C)NC(=O)CCC(C)CCCC 11a_100000211957_100000033779 [0,1,1,0,0,0|1,0,0]=3 7776 B17R0.588 CCCCCC(C)NC(=O)CCC(C)CCCC 1626a_100000211957_100000033779 [0,1,1,0,0,0|1,0,0]=3 7777 B17R0.588 CCCCCC(C)NC(=O)CCC(C)CCCC 240690a_100000211957_100000033779 [0,1,1,0,0,0|1,0,0]=3 7778 B17R0.588 CCCCCC(C)NC(=O)CCC(C)CCCC 527a_100000211957_100000033779 [0,1,1,0,0,0|1,0,0]=3 7779 B17R0.588 CCCCCC(C)NC(=O)CNC(C)CCCC 2230a_100000126638_100000230335 [0,1,1,0,0,0|2,0,0]=4 7780 B17R0.588 CCCCCC(C)NC(=O)COC(C)CCCC 34a_100000687866_100000230335 [0,1,1,0,0,0|2,0,0]=4 7781 B17R0.588 CCCCCC(C)NC(=O)COC(C)CCCC 7a_100000687866_100000230335 [0,1,1,0,0,0|2,0,0]=4 7782 B17R0.588 CCCCCC(C)NC(=O)CSC(C)CCCC 62a_100000230335_200011215066 [0,1,1,0,0,0|2,0,0]=4 7783 B17R0.588 CCCCCC(C)NC(=O)CSC(C)CCCC 62a_200011215066_100000230335 [0,1,1,0,0,0|2,0,0]=4 7784 B17R0.588 CCCCCC(C)OC(=O)CNC(C)CCCC 2230a_100000126638_200000092394 [0,1,1,0,0,0|2,0,0]=4 7785 B17R0.588 CCCCCC(C)OC(=O)COC(C)CCCC 34a_100000687866_200000092394 [0,1,1,0,0,0|2,0,0]=4 7786 B17R0.588 CCCCCC(C)OC(=O)COC(C)CCCC 7a_100000687866_200000092394 [0,1,1,0,0,0|2,0,0]=4 7787 B17R0.588 CCCCCC(C)OC(=O)CSC(C)CCCC 62a_200000092394_200011215066 [0,1,1,0,0,0|2,0,0]=4 7788 B17R0.588 CCCCCC(C)OC(=O)CSC(C)CCCC 62a_200011215066_200000092394 [0,1,1,0,0,0|2,0,0]=4 7789 B17R0.6377 CCCCCCCN(CC)CC(=O)CCCCC 2230a_100000228213_200012276598 [0,1,1,0,0,0|1,0,0]=3 7790 B17R0.6377 CCCCCCCN(CC)CC(=O)CCCCC 269982a_100000228213_200012276598 [0,1,1,0,0,0|1,0,0]=3 7791 B17R0.6377 CCCCCCCN(CC)CC(=O)NCCCC 2230a_100000228213_100000182744 [0,1,1,0,0,0|2,0,0]=4 7792 B17R0.6377 CCCCCCCN(CC)CC(=O)NCCCC 269982a_100000228213_100000182744 [0,1,1,0,0,0|2,0,0]=4 7793 B17R0.6377 CCCCCCCN(CC)CC(=O)OCCCC 2230a_100000228213_100000211628 [0,1,1,0,0,0|2,0,0]=4 7794 B17R0.6377 CCCCCCCN(CC)CC(=O)OCCCC 269982a_100000228213_100000211628 [0,1,1,0,0,0|2,0,0]=4 7795 B17R0.7634 CCCCCCCC(O)CC(=O)NCC(C)CC 1626a_100020588543_200011667753 [0,1,1,0,0,0|2,0,0]=4 7796 B17R0.7634 CCCCCCCC(O)CC(=O)NCC(C)CC 240690a_100020588543_200011667753 [0,1,1,0,0,0|2,0,0]=4 7797 B17R0.7634 CCCCCCCC(O)CC(=O)NCC(O)CC 240690a_100011218483_200011667753 [0,1,1,0,0,0|2,0,0]=4 7798 B17R0.7635 CCCCCCCC(O)CC(=O)C(C)CCCC 1458a_200011667753_200011215066 [0,1,1,0,0,0|1,0,0]=3 7799 B17R0.7635 CCCCCCCC(O)CC(=O)N(C)CCCC 1626a_100000207549_200011667753 [0,1,1,0,0,0|2,0,0]=4 7800 B17R0.7635 CCCCCCCC(O)CC(=O)N(C)CCCC 240690a_100000207549_200011667753 [0,1,1,0,0,0|2,0,0]=4 7801 B17R0.7635 CCCCCCCN(C)CC(=O)N(C)CCCC 2230a_100000228206_100000230175 [0,1,1,0,0,0|2,0,0]=4 7802 B17R0.7635 CCCCCCCN(C)CC(=O)N(C)CCCC 269982a_100000228206_100000230175 [0,1,1,0,0,0|2,0,0]=4 7803 B17R0.7646 CCCCCCCN(C)C(C)C(=O)NCCCC 2230a_100000228206_100000735917 [0,1,1,0,0,0|2,0,0]=4 7804 B17R0.7646 CCCCCCCN(C)C(C)C(=O)NCCCC 269982a_100000228206_100000735917 [0,1,1,0,0,0|2,0,0]=4 7805 B17R0.7646 CCCCCCCN(C)C(C)C(=O)OCCCC 2230a_100000228206_100000759602 [0,1,1,0,0,0|2,0,0]=4 7806 B17R0.7646 CCCCCCCN(C)C(C)C(=O)OCCCC 269982a_100000228206_100000759602 [0,1,1,0,0,0|2,0,0]=4 7807 B17R0.9518 CCCCCC(C)NC(=O)CNCCC(C)CC 2230a_100020591266_100000230335 [0,1,1,0,0,0|2,0,0]=4 7808 B17R0.9518 CCCCCC(C)NC(=O)COCCC(C)CC 7a_100011215188_100000230335 [0,1,1,0,0,0|2,0,0]=4 7809 B17R0.9518 CCCCCC(C)OC(=O)CNCCC(C)CC 2230a_100020591266_200000092394 [0,1,1,0,0,0|2,0,0]=4 7810 B17R0.9518 CCCCCC(C)OC(=O)COCCC(C)CC 7a_100011215188_200000092394 [0,1,1,0,0,0|2,0,0]=4 7811 B17R0.9519 CCCCCC(=O)CC(=O)CCCCCC(C)C 1458a_100000766313_200012276598 [0,1,1,0,0,0|1,0,1]=4 7812 B17R0.9519 CCCCCC(C)NC(=O)CCCCCC(C)C 11a_100000211957_100000766313 [0,1,1,0,0,0|1,0,0]=3 7813 B17R0.9519 CCCCCC(C)NC(=O)CCCCCC(C)C 1626a_100000211957_100000766313 [0,1,1,0,0,0|1,0,0]=3 7814 B17R0.9519 CCCCCC(C)NC(=O)CCCCCC(C)C 240690a_100000211957_100000766313 [0,1,1,0,0,0|1,0,0]=3 7815 B17R0.9519 CCCCCC(C)NC(=O)CCCCCC(C)C 527a_100000211957_100000766313 [0,1,1,0,0,0|1,0,0]=3 7816 B17R0.9519 CCCCCC(C)NC(=O)CNCCCC(C)C 2230a_200000737386_100000230335 [0,1,1,0,0,0|2,0,0]=4 7817 B17R0.9519 CCCCCC(C)NC(=O)CNCCCC(C)C 34a_200000737386_100000230335 [0,1,1,0,0,0|2,0,0]=4 7818 B17R0.9519 CCCCCC(C)NC(=O)COCCCC(C)C 34a_100000210774_100000230335 [0,1,1,0,0,0|2,0,0]=4 7819 B17R0.9519 CCCCCC(C)NC(=O)COCCCC(C)C 7a_100000210774_100000230335 [0,1,1,0,0,0|2,0,0]=4 7820 B17R0.9519 CCCCCC(C)NC(=O)CSCCCC(C)C 62a_100000230335_100011214892 [0,1,1,0,0,0|2,0,0]=4 7821 B17R0.9519 CCCCCC(C)NC(=O)CSCCCC(C)C 62a_100011214892_100000230335 [0,1,1,0,0,0|2,0,0]=4 7822 B17R0.9519 CCCCCC(C)NC(=O)CSCCCC(C)O 62a_100000230335_200000718107 [0,1,1,0,0,0|2,0,0]=4 7823 B17R0.9519 CCCCCC(C)NC(=O)CSCCCC(C)O 62a_200000718107_100000230335 [0,1,1,0,0,0|2,0,0]=4 7824 B17R0.9519 CCCCCC(C)OC(=O)CNCCCC(C)C 2230a_200000737386_200000092394 [0,1,1,0,0,0|2,0,0]=4 7825 B17R0.9519 CCCCCC(C)OC(=O)CNCCCC(C)C 34a_200000737386_200000092394 [0,1,1,0,0,0|2,0,0]=4 7826 B17R0.9519 CCCCCC(C)OC(=O)COCCCC(C)C 34a_100000210774_200000092394 [0,1,1,0,0,0|2,0,0]=4 7827 B17R0.9519 CCCCCC(C)OC(=O)COCCCC(C)C 7a_100000210774_200000092394 [0,1,1,0,0,0|2,0,0]=4 7828 B17R0.9519 CCCCCC(C)OC(=O)CSCCCC(C)C 62a_100011214892_200000092394 [0,1,1,0,0,0|2,0,0]=4 7829 B17R0.9519 CCCCCC(C)OC(=O)CSCCCC(C)C 62a_200000092394_100011214892 [0,1,1,0,0,0|2,0,0]=4 7830 B17R0.9519 CCCCCC(C)OC(=O)CSCCCC(C)O 62a_200000092394_200000718107 [0,1,1,0,0,0|2,0,0]=4 7831 B17R0.9519 CCCCCC(C)OC(=O)CSCCCC(C)O 62a_200000718107_200000092394 [0,1,1,0,0,0|2,0,0]=4 7832 B17R0.9519 CCCCNC(=O)CN(C)CCCCCC(C)C 2230a_200000213093_100000210682 [0,1,1,0,0,0|2,0,0]=4 7833 B17R0.9519 CCCCNC(=O)CN(C)CCCCCC(C)C 269982a_200000213093_100000210682 [0,1,1,0,0,0|2,0,0]=4 7834 B17R0.9529 CCCCCC(C)NC(=O)COCC(C)CCC 34a_100000688023_100000230335 [0,1,1,0,0,0|2,0,0]=4 7835 B17R0.9529 CCCCCC(C)NC(=O)COCC(C)CCC 7a_100000688023_100000230335 [0,1,1,0,0,0|2,0,0]=4 7836 B17R0.9529 CCCCCC(C)NC(=O)COC[C@@H](N)CCC 34a_100000732646_100000230335 [0,1,1,0,0,0|2,0,0]=4 7837 B17R0.9529 CCCCCC(C)NC(=O)CSCC(C)CCC 62a_100000230335_100011216630 [0,1,1,0,0,0|2,0,0]=4 7838 B17R0.9529 CCCCCC(C)NC(=O)CSCC(C)CCC 62a_100011216630_100000230335 [0,1,1,0,0,0|2,0,0]=4 7839 B17R0.9529 CCCCCC(C)OC(=O)COCC(C)CCC 34a_100000688023_200000092394 [0,1,1,0,0,0|2,0,0]=4 7840 B17R0.9529 CCCCCC(C)OC(=O)COCC(C)CCC 7a_100000688023_200000092394 [0,1,1,0,0,0|2,0,0]=4 7841 B17R0.9529 CCCCCC(C)OC(=O)COC[C@@H](N)CCC 34a_100000732646_200000092394 [0,1,1,0,0,0|2,0,0]=4 7842 B17R0.9529 CCCCCC(C)OC(=O)CSCC(C)CCC 62a_100011216630_200000092394 [0,1,1,0,0,0|2,0,0]=4 7843 B17R0.9529 CCCCCC(C)OC(=O)CSCC(C)CCC 62a_200000092394_100011216630 [0,1,1,0,0,0|2,0,0]=4 7844 B17R0.12335 CCCCCCC(C)N(C)CC(=O)NCCCC 2230a_200000213093_100011215978 [0,1,1,0,0,0|2,0,0]=4 7845 B17R0.12335 CCCCCCC(C)N(C)CC(=O)NCCCC 269982a_200000213093_100011215978 [0,1,1,0,0,0|2,0,0]=4 7846 B17R0.12335 CCCCCCC(C)N(C)CC(=O)NCCCC 270004a_200000213093_100000210826 [0,1,1,0,0,0|2,0,0]=4 7847 B17R0.12335 CCCCCCC(O)C(=O)CC(=O)CCCCC 1458a_100011215828_200012276598 [0,1,1,0,0,0|1,0,1]=4 7848 B17R0.12335 CCCCCCC(O)C(=O)NC(C)CCCCC 240690a_100000211957_100011215828 [0,1,1,0,0,0|1,0,0]=3 7849 B17R0.12335 CCCCCCN(C)C(=O)NC(C)CCCCC 2708a_100000211957_106256046315 [0,1,1,0,0,0|2,0,0]=4 7850 B17R0.12335 CCCCCCN(C)C(=O)NC(C)CCCCC 273464a_100000211957_106256046315 [0,1,1,0,0,0|2,0,0]=4 7851 B17R0.14251 CCCCCC(=O)CC(=O)NC(C)CCCCC 1458a_100000212188_100000230335 [0,1,1,0,0,0|1,0,1]=4 7852 B17R0.14251 CCCCCC(=O)CC(=O)OC(C)CCCCC 1458a_100000212188_200000092394 [0,1,1,0,0,0|1,0,1]=4 7853 B17R0.14251 CCCCCC(C)NC(=O)CN(C)CCCCC 2230a_100000223495_100000230335 [0,1,1,0,0,0|2,0,0]=4 7854 B17R0.14251 CCCCCC(C)NC(=O)CN(C)CCCCC 269982a_100000223495_100000230335 [0,1,1,0,0,0|2,0,0]=4 7855 B17R0.14251 CCCCCC(C)NC(=O)NC(C)CCCCC 2708a_100000211957_100000211957 [0,1,1,0,0,0|2,0,0]=4 7856 B17R0.14251 CCCCCC(C)NC(=O)NC(C)CCCCC 273464a_100000211957_100000211957 [0,1,1,0,0,0|2,0,0]=4 7857 B17R0.14251 CCCCCC(C)NC(=O)NC(C)CCCCC 512a_100000211957_100000211957 [0,1,1,0,0,0|2,0,0]=4 7858 B17R0.14251 CCCCCC(C)OC(=O)CN(C)CCCCC 2230a_100000223495_200000092394 [0,1,1,0,0,0|2,0,0]=4 7859 B17R0.14251 CCCCCC(C)OC(=O)CN(C)CCCCC 269982a_100000223495_200000092394 [0,1,1,0,0,0|2,0,0]=4 7860 B17R1.27002 CNC1CCCCCCCCCCCCCC1 270004a_106832991635_100000040017 [1,1,0,0,0,0|0,0,1]=3 7861 B17R1.27002 COC1CCCCCCCCCCCCCC1 34a_200000037640_200000210301 [1,1,0,0,0,0|0,0,1]=3 7862 B17R1.27002 COC1CCCCCCCCCCCCCC1 7a_200000037640_200000210301 [1,1,0,0,0,0|0,0,1]=3 7863 B17R1.27002 [13CH3]OC1CCCCCCCCCCCCCC1 34a_200000037640_200025704644 [1,1,0,0,0,0|0,0,1]=3 7864 B17R1.27002 [13CH3]OC1CCCCCCCCCCCCCC1 7a_200000037640_200025704644 [1,1,0,0,0,0|0,0,1]=3 7865 B19R1.17515 CCNC1CCCCCCCCCCCCC(C1)C 270004a_100015525214_100016990464 [0,2,0,0,0,0|1,0,1]=4 7866 B19R1.195870 CC1CCCCCCCCCCCCC(C1)N(C)C 270004a_100102631434_100016990464 [0,2,0,0,0,0|1,0,1]=4 7867 B17R1.346 CCCC(=O)OCOC1CCCCC1CCC 34a_100011217265_100000034017 [0,0,1,1,0,0|2,0,0]=4 7868 B17R1.346 CCCC1CCCCC1NCCC(=O)NCC 269862a_100025743525_100011218038 [0,0,1,1,0,0|2,0,0]=4 7869 B17R1.346 CCCC1CCCCC1NCCC(=O)NCC 270004a_100025743525_100011218038 [0,0,1,1,0,0|2,0,0]=4 7870 B17R1.346 CCCC1CCCCC1OCCC(=O)NCC 7a_100011217265_100000737597 [0,0,1,1,0,0|2,0,0]=4 7871 B17R1.346 CCCC1CCCCC1OCCC(=O)OCC 34a_100011217265_100000765890 [0,0,1,1,0,0|2,0,0]=4 7872 B17R1.346 CCCC1CCCCC1OCCC(=O)OCC 7a_100011217265_100011206558 [0,0,1,1,0,0|2,0,0]=4 7873 B17R1.346 CCCC1CCCCN1CCCC(=O)OCC 2230a_100000701414_100009991533 [0,0,1,1,0,0|2,0,0]=4 7874 B17R1.346 CCCC1CCCCN1CCCC(=O)OCC 269982a_100000701414_100009991533 [0,0,1,1,0,0|2,0,0]=4 7875 B17R1.346 CCCC1CCCCN1CCCC(=O)OCC 34a_100000701414_100009991533 [0,0,1,1,0,0|2,0,0]=4 7876 B17R1.716 CCCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210320 [0,0,1,1,0,0|2,0,0]=4 7877 B17R1.716 CCCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210320 [0,0,1,1,0,0|2,0,0]=4 7878 B17R1.716 CCCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100011214924 [0,0,1,1,0,0|2,0,0]=4 7879 B17R1.716 CCCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100011214924 [0,0,1,1,0,0|2,0,0]=4 7880 B17R1.716 CCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011214924 [0,0,1,1,0,0|1,0,0]=3 7881 B17R1.716 CCCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011214924 [0,0,1,1,0,0|2,0,0]=4 7882 B17R1.716 CCCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210759 [0,0,1,1,0,0|2,0,0]=4 7883 B17R1.716 CCCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210759 [0,0,1,1,0,0|2,0,0]=4 7884 B17R1.716 O=C1CCCC(C1)OCCCCCCCCO 34a_100012613340_100000033203 [0,0,1,1,0,0|2,0,0]=4 7885 B17R1.915 CCOC(=O)CCCCCCCN1CCCC1 2230a_100000188435_100009991516 [0,0,1,1,0,0|2,0,0]=4 7886 B17R1.915 CCOC(=O)CCCCCCCN1CCCC1 269982a_100000188435_100009991516 [0,0,1,1,0,0|2,0,0]=4 7887 B17R1.915 CCOC(=O)CCCCCCNC1CCCC1 2230a_100000211070_100009814379 [0,0,1,1,0,0|2,0,0]=4 7888 B17R1.915 CCOC(=O)CCCCCCNC1CCCC1 34a_100000211070_100009814379 [0,0,1,1,0,0|2,0,0]=4 7889 B17R1.915 CCOC(=O)CCCCCCOC1CCCC1 34a_100000210269_100009814379 [0,0,1,1,0,0|2,0,0]=4 7890 B17R1.915 CCOC(=O)CCCCCCOC1CCCC1 7a_100000210269_100009814379 [0,0,1,1,0,0|2,0,0]=4 7891 B17R1.915 CCOC(=O)CCCCCCSC1CCCC1 62a_100011217020_100009814379 [0,0,1,1,0,0|2,0,0]=4 7892 B17R1.915 CCOC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100000755133 [0,0,1,1,0,0|2,0,0]=4 7893 B17R1.915 CCOC(=O)CCCCCNCC1CCCC1 34a_100000737975_100000755133 [0,0,1,1,0,0|2,0,0]=4 7894 B17R1.915 CCOC(=O)CCCCCOCC1CCCC1 34a_100000742336_100000755133 [0,0,1,1,0,0|2,0,0]=4 7895 B17R1.915 CCOC(=O)CCCCCOCC1CCCC1 7a_100000742336_100000755133 [0,0,1,1,0,0|2,0,0]=4 7896 B17R1.915 CCOC(=O)CCCCCOCC1CCCC1 7a_100011214988_100000740388 [0,0,1,1,0,0|2,0,0]=4 7897 B17R1.915 CCOC(=O)CCCCCSCC1CCCC1 62a_100000740388_100000755133 [0,0,1,1,0,0|2,0,0]=4 7898 B17R1.915 CCOC(=O)CCCCCSCC1CCCC1 62a_100000755133_100000740388 [0,0,1,1,0,0|2,0,0]=4 7899 B17R1.915 CCOC(=O)CCCCNCCC1CCCC1 2230a_100000739158_100000750268 [0,0,1,1,0,0|2,0,0]=4 7900 B17R1.915 CCOC(=O)CCCCNCCC1CCCC1 34a_100000739158_100000750268 [0,0,1,1,0,0|2,0,0]=4 7901 B17R1.915 CCOC(=O)CCCCOCCC1CCCC1 34a_100000749090_100000750268 [0,0,1,1,0,0|2,0,0]=4 7902 B17R1.915 CCOC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000750268 [0,0,1,1,0,0|2,0,0]=4 7903 B17R1.915 CCOC(=O)CCCCSCCC1CCCC1 62a_100000750268_100000760354 [0,0,1,1,0,0|2,0,0]=4 7904 B17R1.915 CCOC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000750268 [0,0,1,1,0,0|2,0,0]=4 7905 B17R1.915 CCOC(=O)CCCNCCCC1CCCC1 2230a_100000736752_100009991533 [0,0,1,1,0,0|2,0,0]=4 7906 B17R1.915 CCOC(=O)CCCNCCCC1CCCC1 34a_100000736752_100009991533 [0,0,1,1,0,0|2,0,0]=4 7907 B17R1.915 CCOC(=O)CCCOCCCC1CCCC1 34a_100011215328_100009991533 [0,0,1,1,0,0|2,0,0]=4 7908 B17R1.915 CCOC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011215271 [0,0,1,1,0,0|2,0,0]=4 7909 B17R1.915 CCOC(=O)CCCOCCCC1CCCC1 7a_100012001163_100011713738 [0,0,1,1,0,0|2,0,0]=4 7910 B17R1.915 CCOC(=O)CCCSCCCC1CCCC1 62a_100009991533_100011713738 [0,0,1,1,0,0|2,0,0]=4 7911 B17R1.915 CCOC(=O)CCCSCCCC1CCCC1 62a_100011713738_100009991533 [0,0,1,1,0,0|2,0,0]=4 7912 B17R1.957 CCCC(=O)COCCCN1CCCCC1C 7a_100000213889_100000747444 [0,0,1,1,0,0|2,0,0]=4 7913 B17R1.957 CCOC(=O)CCCCCN1CCCCC1C 2230a_100000211376_100000755133 [0,0,1,1,0,0|2,0,0]=4 7914 B17R1.957 CCOC(=O)CCCCCN1CCCCC1C 269982a_100000211376_100000755133 [0,0,1,1,0,0|2,0,0]=4 7915 B17R1.957 CCOC(=O)CCCCCN1CCCCC1C 34a_100000211376_100000755133 [0,0,1,1,0,0|2,0,0]=4 7916 B17R1.957 CCOC(=O)CCCCNC1CCCCC1C 2230a_100000211402_100000750268 [0,0,1,1,0,0|2,0,0]=4 7917 B17R1.957 CCOC(=O)CCCCNC1CCCCC1C 34a_100000211402_100000750268 [0,0,1,1,0,0|2,0,0]=4 7918 B17R1.957 CCOC(=O)CCCCOC1CCCCC1C 34a_100000211207_100000750268 [0,0,1,1,0,0|2,0,0]=4 7919 B17R1.957 CCOC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000750268 [0,0,1,1,0,0|2,0,0]=4 7920 B17R1.958 CCOC(=O)CCCCCN1CCCC1CC 2230a_100000754278_100000755133 [0,0,1,1,0,0|2,0,0]=4 7921 B17R1.958 CCOC(=O)CCCCCN1CCCC1CC 269982a_100000754278_100000755133 [0,0,1,1,0,0|2,0,0]=4 7922 B17R1.958 CCOC(=O)CCCCCN1CCCC1CC 34a_100000754278_100000755133 [0,0,1,1,0,0|2,0,0]=4 7923 B17R1.995 CCCC(=O)COCCCCC1CCCCC1 7a_100011215267_100000747444 [0,0,1,1,0,0|1,0,0]=3 7924 B17R1.995 CCCC(=O)NCCCCCN1CCCCC1 240690a_100000754421_100000211992 [0,0,1,1,0,0|2,0,0]=4 7925 B17R1.995 CCCC(=O)NCCCCCN1CCCCC1 527a_100000754421_100000211992 [0,0,1,1,0,0|2,0,0]=4 7926 B17R1.995 CCCC(=O)OCNCCCC1CCCCC1 2230a_100011211642_100000034017 [0,0,1,1,0,0|2,0,0]=4 7927 B17R1.995 CCCC(=O)OCNCCCC1CCCCC1 34a_100011211642_100000034017 [0,0,1,1,0,0|2,0,0]=4 7928 B17R1.995 CCCC(=O)OCOCCCC1CCCCC1 34a_100000198086_100000034017 [0,0,1,1,0,0|2,0,0]=4 7929 B17R1.995 CCCC(=O)OCSCCCC1CCCCC1 62a_100011713725_100000034017 [0,0,1,1,0,0|2,0,0]=4 7930 B17R1.995 CCNC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000737597 [0,0,1,1,0,0|2,0,0]=4 7931 B17R1.995 CCNC(=O)CCNCCCC1CCCCC1 34a_100025743525_100011713725 [0,0,1,1,0,0|2,0,0]=4 7932 B17R1.995 CCNC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000737597 [0,0,1,1,0,0|2,0,0]=4 7933 B17R1.995 CCNC(=O)CCSCCCC1CCCCC1 62a_100000737597_100011713725 [0,0,1,1,0,0|2,0,0]=4 7934 B17R1.995 CCNC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000737597 [0,0,1,1,0,0|2,0,0]=4 7935 B17R1.995 CCNC(=O)COCCCCC1CCCCC1 34a_100011215267_100000183381 [0,0,1,1,0,0|2,0,0]=4 7936 B17R1.995 CCNC(=O)COCCCCC1CCCCC1 7a_100011215267_100000183381 [0,0,1,1,0,0|2,0,0]=4 7937 B17R1.995 CCOC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100000755133 [0,0,1,1,0,0|2,0,0]=4 7938 B17R1.995 CCOC(=O)CCCCCNC1CCCCC1 34a_100000182618_100000755133 [0,0,1,1,0,0|2,0,0]=4 7939 B17R1.995 CCOC(=O)CCCCCOC1CCCCC1 34a_100000210231_100000755133 [0,0,1,1,0,0|2,0,0]=4 7940 B17R1.995 CCOC(=O)CCCCCOC1CCCCC1 7a_100000210231_100000755133 [0,0,1,1,0,0|2,0,0]=4 7941 B17R1.995 CCOC(=O)CCCCCOC1CCCCC1 7a_100011214988_100000210327 [0,0,1,1,0,0|2,0,0]=4 7942 B17R1.995 CCOC(=O)CCCCCSC1CCCCC1 62a_100000210327_100000755133 [0,0,1,1,0,0|2,0,0]=4 7943 B17R1.995 CCOC(=O)CCCCCSC1CCCCC1 62a_100000755133_100000210327 [0,0,1,1,0,0|2,0,0]=4 7944 B17R1.995 CCOC(=O)CCCCNCC1CCCCC1 2230a_100000210473_100000750268 [0,0,1,1,0,0|2,0,0]=4 7945 B17R1.995 CCOC(=O)CCCCNCC1CCCCC1 34a_100000210473_100000750268 [0,0,1,1,0,0|2,0,0]=4 7946 B17R1.995 CCOC(=O)CCCCOCC1CCCCC1 34a_100000212181_100000750268 [0,0,1,1,0,0|2,0,0]=4 7947 B17R1.995 CCOC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000750268 [0,0,1,1,0,0|2,0,0]=4 7948 B17R1.995 CCOC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000750268 [0,0,1,1,0,0|2,0,0]=4 7949 B17R1.995 CCOC(=O)CCCCSCC1CCCCC1 62a_100000750268_100000211423 [0,0,1,1,0,0|2,0,0]=4 7950 B17R1.995 CCOC(=O)CCCNCCC1CCCCC1 2230a_100000738074_100009991533 [0,0,1,1,0,0|2,0,0]=4 7951 B17R1.995 CCOC(=O)CCCNCCC1CCCCC1 34a_100000738074_100009991533 [0,0,1,1,0,0|2,0,0]=4 7952 B17R1.995 CCOC(=O)CCCOCCC1CCCCC1 34a_100011217863_100009991533 [0,0,1,1,0,0|2,0,0]=4 7953 B17R1.995 CCOC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011215271 [0,0,1,1,0,0|2,0,0]=4 7954 B17R1.995 CCOC(=O)CCCOCCC1CCCCC1 7a_100012001163_100011273959 [0,0,1,1,0,0|2,0,0]=4 7955 B17R1.995 CCOC(=O)CCCSCCC1CCCCC1 62a_100009991533_100012355289 [0,0,1,1,0,0|2,0,0]=4 7956 B17R1.995 CCOC(=O)CCCSCCC1CCCCC1 62a_100012355289_100009991533 [0,0,1,1,0,0|2,0,0]=4 7957 B17R1.995 CCOC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100011206558 [0,0,1,1,0,0|2,0,0]=4 7958 B17R1.995 CCOC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000765890 [0,0,1,1,0,0|2,0,0]=4 7959 B17R1.995 CCOC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000765890 [0,0,1,1,0,0|2,0,0]=4 7960 B17R1.995 CCOC(=O)CCOCCCC1CCCCC1 7a_100000198086_100011206558 [0,0,1,1,0,0|2,0,0]=4 7961 B17R1.995 CCOC(=O)CCSCCCC1CCCCC1 62a_100000765890_100011713725 [0,0,1,1,0,0|2,0,0]=4 7962 B17R1.995 CCOC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000765890 [0,0,1,1,0,0|2,0,0]=4 7963 B17R1.995 CCOC(=O)COCCCCC1CCCCC1 34a_100011215267_100000188475 [0,0,1,1,0,0|2,0,0]=4 7964 B17R1.995 CCOC(=O)COCCCCC1CCCCC1 7a_100011215267_100000188475 [0,0,1,1,0,0|2,0,0]=4 7965 B17R1.1425 CCCCCCCCCCCCN1CC=CC1 269982a_100015195280_100000759014 [0,0,1,1,0,0|2,0,0]=4 7966 B17R1.1425 CCCCCCCCCCCCN1CCCC1 2230a_100000188435_100011215052 [0,0,1,1,0,0|2,0,0]=4 7967 B17R1.1425 CCCCCCCCCCCCN1CCCC1 269982a_100000188435_100000759014 [0,0,1,1,0,0|2,0,0]=4 7968 B17R1.1425 CCCCCCCCCCCCN1CCCC1 270004a_100000188435_100011218549 [0,0,1,1,0,0|2,0,0]=4 7969 B17R1.1425 CCCCCCCCCCCNC1CC=CC1 2230a_100015188752_100011215454 [0,0,1,1,0,0|2,0,0]=4 7970 B17R1.1425 CCCCCCCCCCOCC1CC=CC1 34a_100000688395_100000210320 [0,0,1,1,0,0|2,0,0]=4 7971 B17R1.1502 CCCCCC1CCCC1NCC(=O)NCC 270004a_100016988866_200000198059 [0,0,1,1,0,0|2,0,0]=4 7972 B17R1.1661 CCCC(=O)CNCCN1CCCCC1CC 2230a_100000755458_100000747444 [0,0,1,1,0,0|2,0,0]=4 7973 B17R1.1661 CCCC(=O)NCCCN1CCCCC1CC 11a_100011191702_100000211992 [0,0,1,1,0,0|2,0,0]=4 7974 B17R1.1661 CCCC(=O)NCCCN1CCCCC1CC 1626a_100011191702_100000211992 [0,0,1,1,0,0|2,0,0]=4 7975 B17R1.1661 CCCC(=O)NCCCN1CCCCC1CC 240690a_100011191702_100000211992 [0,0,1,1,0,0|2,0,0]=4 7976 B17R1.1661 CCCC(=O)NCCCN1CCCCC1CC 527a_100011191702_100000211992 [0,0,1,1,0,0|2,0,0]=4 7977 B17R1.1661 CCOC(=O)CCCCN1CCCCC1CC 2230a_100000210034_100000750268 [0,0,1,1,0,0|2,0,0]=4 7978 B17R1.1661 CCOC(=O)CCCCN1CCCCC1CC 269982a_100000210034_100000750268 [0,0,1,1,0,0|2,0,0]=4 7979 B17R1.1661 CCOC(=O)CCCCN1CCCCC1CC 34a_100000210034_100000750268 [0,0,1,1,0,0|2,0,0]=4 7980 B17R1.1661 CCOC(=O)CCCOC1CCCCC1CC 34a_100000210738_100009991533 [0,0,1,1,0,0|2,0,0]=4 7981 B17R1.1661 CCOC(=O)CCCOC1CCCCC1CC 7a_100000210738_100011215271 [0,0,1,1,0,0|2,0,0]=4 7982 B17R1.4140 C=C1CC(C1)CNCCCCCCCCCC 2230a_100102567296_100000210320 [0,0,1,1,0,0|2,0,0]=4 7983 B17R1.4140 C=C1CC(C1)CNCCCCCCCCCC 34a_100102567296_100000210320 [0,0,1,1,0,0|2,0,0]=4 7984 B17R1.4140 C=C1CC(C1)COCCCCCCCCCC 34a_100011011225_100000210320 [0,0,1,1,0,0|2,0,0]=4 7985 B17R1.4140 C=C1CC(C1)NCCCCCCCCCCC 2230a_100132301982_100011215454 [0,0,1,1,0,0|2,0,0]=4 7986 B17R1.4140 CCCCCCCCCCCCN1CC(C1)C 2230a_100000702820_100011215052 [0,0,1,1,0,0|2,0,0]=4 7987 B17R1.4140 CCCCCCCCCCCCN1CC(C1)C 269982a_100000702820_100000759014 [0,0,1,1,0,0|2,0,0]=4 7988 B17R1.4140 CCCCCCCCCCCCN1CC(C1)C 270004a_100000702820_100011218549 [0,0,1,1,0,0|2,0,0]=4 7989 B17R1.4140 CCCCCCCCCCCCN1CC(C1)C 34a_100000702820_100000759014 [0,0,1,1,0,0|2,0,0]=4 7990 B17R1.4140 CCCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100011215454 [0,0,1,1,0,0|1,0,0]=3 7991 B17R1.4140 CCCCCCCCCCNCC1CC(=O)C1 2230a_100000684558_100009874392 [0,0,1,1,0,0|1,0,0]=3 7992 B17R1.4140 CCCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210320 [0,0,1,1,0,0|1,0,0]=3 7993 B17R1.4140 CCCCCCCCCCOCC1CC(=O)C1 7a_100000210711_100009874392 [0,0,1,1,0,0|1,0,0]=3 7994 B17R1.4140 CCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210320 [0,0,1,1,0,0|1,0,0]=3 7995 B17R1.4140 O=C1CC(C1)CNCCCCCCCCCO 2230a_100000078944_100009874392 [0,0,1,1,0,0|2,0,0]=4 7996 B17R1.4140 O=C1CC(C1)COCCCCCCCCCBr 7a_100009813782_100009874392 [0,0,1,1,0,0|2,0,0]=4 7997 B17R1.4140 O=C1CC(C1)COCCCCCCCCCCl 7a_100009868337_100009874392 [0,0,1,1,0,0|2,0,0]=4 7998 B17R1.4140 O=C1CC(C1)COCCCCCCCCCO 34a_100000101936_100009813782 [0,0,1,1,0,0|2,0,0]=4 7999 B17R1.4140 O=C1CC(C1)CSCCCCCCCCCO 62a_100009813782_100009874392 [0,0,1,1,0,0|2,0,0]=4 8000 B17R1.4140 O=C1CC(C1)CSCCCCCCCCCO 62a_100009874392_100009813782 [0,0,1,1,0,0|2,0,0]=4 8001 B17R1.4140 O=C1CC(C1)SCCCCCCCCCCO 62a_100009894365_200000033068 [0,0,1,1,0,0|2,0,0]=4 8002 B17R1.5241 CCCCCCCCCCNC1CCCC1=O 2230a_100000684558_100000211823 [0,0,1,1,0,0|1,0,0]=3 8003 B17R1.5241 CCCCCCCCCCNC1CCCC1=O 34a_100000684558_100000709159 [0,0,1,1,0,0|1,0,0]=3 8004 B17R1.5241 CCCCCCCCCCNC1CCNC1=O 2230a_100016995588_100000210320 [0,0,1,1,0,0|2,0,0]=4 8005 B17R1.5241 CCCCCCCCCCNC1CCNC1=O 34a_100016995588_100000210320 [0,0,1,1,0,0|2,0,0]=4 8006 B17R1.5241 CCCCCCCCCCNC1CCOC1=O 2230a_100000684558_100000211211 [0,0,1,1,0,0|2,0,0]=4 8007 B17R1.5241 CCCCCCCCCCNC1CCOC1=O 34a_100000684558_100000211211 [0,0,1,1,0,0|2,0,0]=4 8008 B17R1.5241 CCCCCCCCCCOC1CCCC1=O 34a_100000210711_100000709159 [0,0,1,1,0,0|1,0,0]=3 8009 B17R1.5241 CCCCCCCCCCOC1CCCC1=O 34a_200000719330_100000210320 [0,0,1,1,0,0|1,0,0]=3 8010 B17R1.5241 CCCCCCCCCCOC1CCCC1=O 7a_100000210711_100000211823 [0,0,1,1,0,0|1,0,0]=3 8011 B17R1.5241 CCCCCCCCCCOC1CCOC1=O 34a_100000210711_100000211211 [0,0,1,1,0,0|2,0,0]=4 8012 B17R1.5241 CCCCCCCCCCOC1CCOC1=O 7a_100000210711_100000211211 [0,0,1,1,0,0|2,0,0]=4 8013 B17R1.5241 CCCCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210320 [0,0,1,1,0,0|2,0,0]=4 8014 B17R1.5241 CCCCCCCCCCSC1CCCC1=O 62a_100000211823_100000210320 [0,0,1,1,0,0|1,0,0]=3 8015 B17R1.5241 CCCCCCCCCCSC1CCOC1=O 62a_100000211211_100000210320 [0,0,1,1,0,0|2,0,0]=4 8016 B17R1.5241 CCCCCCCCCOCC1CCNC1=O 34a_100000133458_100011214924 [0,0,1,1,0,0|2,0,0]=4 8017 B17R1.5241 CCCCCCCCCSCN1CCCC1=O 62a_100000026320_100000210670 [0,0,1,1,0,0|2,0,0]=4 8018 B17R1.5241 CCCCCCCCNCCN1CCCC1=O 2230a_100000229939_100000739059 [0,0,1,1,0,0|2,0,0]=4 8019 B17R1.5241 CCCCCCCCNCCN1CCCC1=O 2230a_100011200922_100000210759 [0,0,1,1,0,0|2,0,0]=4 8020 B17R1.5241 CCCCCCCCNCCN1CCCC1=O 34a_100000229939_100000739059 [0,0,1,1,0,0|2,0,0]=4 8021 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 34a_100000210232_100000739059 [0,0,1,1,0,0|2,0,0]=4 8022 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 34a_100000211209_100000210759 [0,0,1,1,0,0|2,0,0]=4 8023 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 7a_100000210232_100000739059 [0,0,1,1,0,0|2,0,0]=4 8024 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 7a_100000211209_100000210759 [0,0,1,1,0,0|2,0,0]=4 8025 B17R1.5241 CCCCCCCCSCCN1CCCC1=O 62a_100000210759_100000739059 [0,0,1,1,0,0|2,0,0]=4 8026 B17R1.5241 CCCCCCCCSCCN1CCCC1=O 62a_100000739059_100000210317 [0,0,1,1,0,0|2,0,0]=4 8027 B17R1.5241 CCCCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210681 [0,0,1,1,0,0|2,0,0]=4 8028 B17R1.5241 CCCCCCCNCCCN1CCCC1=O 34a_100000210347_100000210614 [0,0,1,1,0,0|2,0,0]=4 8029 B17R1.5241 CCCCCCCOCCCN1CCCC1=O 34a_100011216539_100000210614 [0,0,1,1,0,0|2,0,0]=4 8030 B17R1.5241 CCCCCCCOCCCN1CCCC1=O 7a_100011216539_100000210614 [0,0,1,1,0,0|2,0,0]=4 8031 B17R1.5241 NCCCCCCCCCOC1CCCC1=O 34a_100000078944_100000709159 [0,0,1,1,0,0|2,0,0]=4 8032 B17R1.5241 O=C1CCCC1NCCCCCCCCCO 2230a_100000078944_100000211823 [0,0,1,1,0,0|2,0,0]=4 8033 B17R1.5241 O=C1CCCC1NCCCCCCCCCO 34a_100000078944_100000709159 [0,0,1,1,0,0|2,0,0]=4 8034 B17R1.5241 O=C1CCCC1OCCCCCCCCCBr 34a_100009813782_100000709159 [0,0,1,1,0,0|2,0,0]=4 8035 B17R1.5241 O=C1CCCC1OCCCCCCCCCBr 7a_100009813782_100000211823 [0,0,1,1,0,0|2,0,0]=4 8036 B17R1.5241 O=C1CCCC1OCCCCCCCCCCl 34a_100009868337_100000709159 [0,0,1,1,0,0|2,0,0]=4 8037 B17R1.5241 O=C1CCCC1OCCCCCCCCCCl 7a_100009868337_100000211823 [0,0,1,1,0,0|2,0,0]=4 8038 B17R1.5241 O=C1CCCC1OCCCCCCCCCO 34a_200000719330_100009813782 [0,0,1,1,0,0|2,0,0]=4 8039 B17R1.5241 O=C1CCCC1SCCCCCCCCCO 62a_100000211823_100009813782 [0,0,1,1,0,0|2,0,0]=4 8040 B17R1.5241 O=C1CCCC1SCCCCCCCCCO 62a_100009813782_100000211823 [0,0,1,1,0,0|2,0,0]=4 8041 B17R1.5255 CCCCC1CCCC1NCCC(=O)NCC 269862a_100025743525_100000750825 [0,0,1,1,0,0|2,0,0]=4 8042 B17R1.5255 CCCCC1CCCC1NCCC(=O)NCC 270004a_100025743525_100000750825 [0,0,1,1,0,0|2,0,0]=4 8043 B17R1.6374 CCCC(=O)CN1CCCCC1CCCOC 2230a_100011804088_100000747444 [0,0,1,1,0,0|2,0,0]=4 8044 B17R1.6374 CCCC(=O)CN1CCCCC1CCCOC 269982a_100011804088_100000747444 [0,0,1,1,0,0|2,0,0]=4 8045 B17R1.6374 CCCCCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000210326 [0,0,1,1,0,0|2,0,0]=4 8046 B17R1.6374 CCCCCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000210215 [0,0,1,1,0,0|2,0,0]=4 8047 B17R1.11019 C=CCCCCCCCCCCC(=O)C1CC1 1458a_100000210395_100011093070 [0,0,1,1,0,0|0,0,2]=4 8048 B17R1.11019 CCCCC#CCCCCCCC(=O)C1CC1 1458a_100000210395_200000043322 [0,0,1,1,0,0|0,0,2]=4 8049 B17R1.11019 CCCCCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000759014 [0,0,1,1,0,0|0,0,0]=2 8050 B17R1.11019 CCCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000759014 [0,0,1,1,0,0|1,0,0]=3 8051 B17R1.11019 CCCCCCCCCCCCN(C)C1CC1 2230a_100000226674_100011215052 [0,0,1,1,0,0|2,0,0]=4 8052 B17R1.11019 CCCCCCCCCCCCN(C)C1CC1 269982a_100000226674_100000759014 [0,0,1,1,0,0|2,0,0]=4 8053 B17R1.11019 CCCCCCCCCCCCN(C)C1CC1 269982a_100000227908_100000211595 [0,0,1,1,0,0|2,0,0]=4 8054 B17R1.11019 CCCCCCCCCCCCN(C)C1CC1 270004a_100000226674_100011218549 [0,0,1,1,0,0|2,0,0]=4 8055 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 11a_200011215754_100000210395 [0,0,1,1,0,0|1,0,0]=3 8056 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 1626a_200011215754_100000210395 [0,0,1,1,0,0|1,0,0]=3 8057 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 240690a_200011215754_100000210395 [0,0,1,1,0,0|1,0,0]=3 8058 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 527a_200011215754_100000210395 [0,0,1,1,0,0|1,0,0]=3 8059 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 11a_200011215754_100000701028 [0,0,1,1,0,0|2,0,0]=4 8060 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 1626a_200011215754_100000701028 [0,0,1,1,0,0|2,0,0]=4 8061 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 240690a_200011215754_100000701028 [0,0,1,1,0,0|2,0,0]=4 8062 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 527a_200011215754_100000701028 [0,0,1,1,0,0|2,0,0]=4 8063 B17R1.11019 CCCCCCCCCCNCC(=O)C1CC1 2230a_100000684558_100000746382 [0,0,1,1,0,0|1,0,0]=3 8064 B17R1.11019 CCCCCCCCCCNCC(=O)C1CC1 34a_100000684558_100000746382 [0,0,1,1,0,0|1,0,0]=3 8065 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 34a_100000210711_100000746382 [0,0,1,1,0,0|1,0,0]=3 8066 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210320 [0,0,1,1,0,0|1,0,0]=3 8067 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 7a_100000210711_100000746382 [0,0,1,1,0,0|1,0,0]=3 8068 B17R1.11019 CCCCCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210320 [0,0,1,1,0,0|1,0,0]=3 8069 B17R1.11019 CCCCCCCCCNCOC(=O)C1CC1 2230a_100000212291_100000140896 [0,0,1,1,0,0|2,0,0]=4 8070 B17R1.11019 CCCCCCCCCNCOC(=O)C1CC1 34a_100000212291_100000140896 [0,0,1,1,0,0|2,0,0]=4 8071 B17R1.11019 CCCCCCCCCOCOC(=O)C1CC1 34a_100000210712_100000140896 [0,0,1,1,0,0|2,0,0]=4 8072 B17R1.11019 CCCCCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210670 [0,0,1,1,0,0|2,0,0]=4 8073 B17R1.11019 NCCCCCCCCCOCC(=O)C1CC1 34a_100000078944_100000746382 [0,0,1,1,0,0|2,0,0]=4 8074 B17R1.11019 O=C(CCCCCCCCCCCO)C1CC1 1458a_100000210395_100009812471 [0,0,1,1,0,0|1,0,0]=3 8075 B17R1.11019 O=C(CCCCCCCCCCCO)C1CO1 1458a_100000701028_100009812471 [0,0,1,1,0,0|2,0,0]=4 8076 B17R1.11019 O=C(CNCCCCCCCCCO)C1CC1 2230a_100000078944_100000746382 [0,0,1,1,0,0|2,0,0]=4 8077 B17R1.11019 O=C(CNCCCCCCCCCO)C1CC1 34a_100000078944_100000746382 [0,0,1,1,0,0|2,0,0]=4 8078 B17R1.11019 O=C(COCCCCCCCCCBr)C1CC1 34a_100009813782_100000746382 [0,0,1,1,0,0|2,0,0]=4 8079 B17R1.11019 O=C(COCCCCCCCCCBr)C1CC1 7a_100009813782_100000746382 [0,0,1,1,0,0|2,0,0]=4 8080 B17R1.11019 O=C(COCCCCCCCCCCl)C1CC1 34a_100009868337_100000746382 [0,0,1,1,0,0|2,0,0]=4 8081 B17R1.11019 O=C(COCCCCCCCCCCl)C1CC1 7a_100009868337_100000746382 [0,0,1,1,0,0|2,0,0]=4 8082 B17R1.11019 O=C(COCCCCCCCCCO)C1CC1 34a_100000686663_100009813782 [0,0,1,1,0,0|2,0,0]=4 8083 B17R1.11019 O=C(CSCCCCCCCCCO)C1CC1 62a_100000746382_100009813782 [0,0,1,1,0,0|2,0,0]=4 8084 B17R1.11019 O=C(CSCCCCCCCCCO)C1CC1 62a_100009813782_100000746382 [0,0,1,1,0,0|2,0,0]=4 8085 B17R1.11019 O=C(NCCCCCCCCCCO)C1CC1 240690a_100000066964_100000210395 [0,0,1,1,0,0|2,0,0]=4 8086 B17R1.16924 CCCCCCCCCNC1CC(OC1=O)C 2230a_100000212291_200000216747 [0,0,1,1,0,0|2,0,0]=4 8087 B17R1.16924 CCCCCCCCCNC1CC(OC1=O)C 34a_100000212291_200000216747 [0,0,1,1,0,0|2,0,0]=4 8088 B17R1.16924 CCCCCCCCCOC1CC(OC1=O)C 34a_100000210712_200000216747 [0,0,1,1,0,0|2,0,0]=4 8089 B17R1.16924 CCCCCCCCCOC1CC(OC1=O)C 7a_100000210712_200000216747 [0,0,1,1,0,0|2,0,0]=4 8090 B17R1.16924 CCCCCCCCCSC1CC(OC1=O)C 62a_200000216747_100000210670 [0,0,1,1,0,0|2,0,0]=4 8091 B17R1.19161 CCOC(=O)CCCCCCOCC1CC1C 34a_100000744939_100009814379 [0,0,1,1,0,0|2,0,0]=4 8092 B17R1.19161 CCOC(=O)CCCCCCOCC1CC1C 7a_100000744939_100009814379 [0,0,1,1,0,0|2,0,0]=4 8093 B17R1.19162 CCOC(=O)CCCCCCCCN1CCC1 269982a_100000754969_100010175975 [0,0,1,1,0,0|2,0,0]=4 8094 B17R1.19162 CCOC(=O)CCCCCCCNC1CCC1 2230a_100000749019_100009991516 [0,0,1,1,0,0|2,0,0]=4 8095 B17R1.19162 CCOC(=O)CCCCCCCNC1CCC1 34a_100000749019_100009991516 [0,0,1,1,0,0|2,0,0]=4 8096 B17R1.19162 CCOC(=O)CCCCCCCOC1CCC1 34a_100000748187_100009991516 [0,0,1,1,0,0|2,0,0]=4 8097 B17R1.19162 CCOC(=O)CCCCCCNCC1CCC1 2230a_100000738700_100009814379 [0,0,1,1,0,0|2,0,0]=4 8098 B17R1.19162 CCOC(=O)CCCCCCNCC1CCC1 34a_100000738700_100009814379 [0,0,1,1,0,0|2,0,0]=4 8099 B17R1.19162 CCOC(=O)CCCCCCOCC1CCC1 34a_100000760304_100009814379 [0,0,1,1,0,0|2,0,0]=4 8100 B17R1.19162 CCOC(=O)CCCCCCSCC1CCC1 62a_100000763275_100009814379 [0,0,1,1,0,0|2,0,0]=4 8101 B17R1.21117 CCOC(=O)CCCCCCCCNC1CC1 34a_100000212008_100010175975 [0,0,1,1,0,0|2,0,0]=4 8102 B17R1.21117 CCOC(=O)CCCCCCCNCC1CC1 2230a_100000735609_100009991516 [0,0,1,1,0,0|2,0,0]=4 8103 B17R1.21117 CCOC(=O)CCCCCCCNCC1CC1 34a_100000735609_100009991516 [0,0,1,1,0,0|2,0,0]=4 8104 B17R1.21117 CCOC(=O)CCCCCCCOCC1CC1 34a_100000211283_100009991516 [0,0,1,1,0,0|2,0,0]=4 8105 B17R1.21117 CCOC(=O)CCCCCCCSCC1CC1 62a_100000756562_100009991516 [0,0,1,1,0,0|2,0,0]=4 8106 B17R1.21117 CCOC(=O)CCCCCCNCCC1CC1 34a_100000764129_100009814379 [0,0,1,1,0,0|2,0,0]=4 8107 B17R1.21117 CCOC(=O)CCCCCCOCCC1CC1 34a_100000754188_100009814379 [0,0,1,1,0,0|2,0,0]=4 8108 B17R1.21117 CCOC(=O)CCCCCCOCCC1CC1 7a_100000754188_100009814379 [0,0,1,1,0,0|2,0,0]=4 8109 B17R1.21117 CCOC(=O)CCCCCCSCCC1CC1 62a_100000764125_100009814379 [0,0,1,1,0,0|2,0,0]=4 8110 B17R1.21186 CCCC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747444 [0,0,1,1,0,0|1,0,0]=3 8111 B17R1.21186 CCCC(=O)OCOCC1CCCCCCC1 34a_100011216312_100000034017 [0,0,1,1,0,0|2,0,0]=4 8112 B17R1.21186 CCNC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000737597 [0,0,1,1,0,0|2,0,0]=4 8113 B17R1.21186 CCNC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000183381 [0,0,1,1,0,0|2,0,0]=4 8114 B17R1.21186 CCNC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000183381 [0,0,1,1,0,0|2,0,0]=4 8115 B17R1.21186 CCOC(=O)CCCCN1CCCCCCC1 2230a_100000211400_100000750268 [0,0,1,1,0,0|2,0,0]=4 8116 B17R1.21186 CCOC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000750268 [0,0,1,1,0,0|2,0,0]=4 8117 B17R1.21186 CCOC(=O)CCCCN1CCCCCCC1 34a_100000211400_100000750268 [0,0,1,1,0,0|2,0,0]=4 8118 B17R1.21186 CCOC(=O)CCCNC1CCCCCCC1 2230a_100000211152_100009991533 [0,0,1,1,0,0|2,0,0]=4 8119 B17R1.21186 CCOC(=O)CCCNC1CCCCCCC1 34a_100000211152_100009991533 [0,0,1,1,0,0|2,0,0]=4 8120 B17R1.21186 CCOC(=O)CCCOC1CCCCCCC1 34a_100000210054_100009991533 [0,0,1,1,0,0|2,0,0]=4 8121 B17R1.21186 CCOC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011215271 [0,0,1,1,0,0|2,0,0]=4 8122 B17R1.21186 CCOC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000765890 [0,0,1,1,0,0|2,0,0]=4 8123 B17R1.21186 CCOC(=O)CCOCC1CCCCCCC1 7a_100011216312_100011206558 [0,0,1,1,0,0|2,0,0]=4 8124 B17R1.21186 CCOC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000188475 [0,0,1,1,0,0|2,0,0]=4 8125 B17R1.21186 CCOC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000188475 [0,0,1,1,0,0|2,0,0]=4 8126 B17R1.21317 CCOC(=O)CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009814379 [0,0,1,1,0,0|2,0,0]=4 8127 B17R1.21317 CCOC(=O)CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100009814379 [0,0,1,1,0,0|2,0,0]=4 8128 B17R1.21317 CCOC(=O)CCCCCCN1CCC[C@H]1C 2230a_100015189458_100009814379 [0,0,1,1,0,0|2,0,0]=4 8129 B17R1.21317 CCOC(=O)CCCCCCN1CCC[C@H]1C 269982a_100015189458_100009814379 [0,0,1,1,0,0|2,0,0]=4 8130 B17R1.21317 CCOC(=O)CCCCCCN1CCC[C@H]1C 34a_100015189458_100009814379 [0,0,1,1,0,0|2,0,0]=4 8131 B17R1.21317 CCOC(=O)CCCCCOC1CCCC1C 34a_100011216460_100000755133 [0,0,1,1,0,0|2,0,0]=4 8132 B17R1.21317 CCOC(=O)CCCCCOC1CCCC1C 7a_100011216460_100000755133 [0,0,1,1,0,0|2,0,0]=4 8133 B17R1.21325 CCOC(=O)CCCCCCCN1CCC1C 269982a_100000755817_100009991516 [0,0,1,1,0,0|2,0,0]=4 8134 B17R1.21325 CCOC(=O)CCCCCCCN1CCC1C 34a_100000755817_100009991516 [0,0,1,1,0,0|2,0,0]=4 8135 B17R1.21375 CCCC(=O)COCCCN1CCCCCC1 7a_100102886287_100000747444 [0,0,1,1,0,0|2,0,0]=4 8136 B17R1.21375 CCCC(=O)NCCCCN1CCCCCC1 1626a_100011207362_100000211992 [0,0,1,1,0,0|2,0,0]=4 8137 B17R1.21375 CCCC(=O)NCCCCN1CCCCCC1 240690a_100011207362_100000211992 [0,0,1,1,0,0|2,0,0]=4 8138 B17R1.21375 CCCC(=O)NCCCCN1CCCCCC1 527a_100011207362_100000211992 [0,0,1,1,0,0|2,0,0]=4 8139 B17R1.21375 CCCC(=O)OCNCCC1CCCCCC1 2230a_100011532351_100000034017 [0,0,1,1,0,0|2,0,0]=4 8140 B17R1.21375 CCCC(=O)OCNCCC1CCCCCC1 34a_100011532351_100000034017 [0,0,1,1,0,0|2,0,0]=4 8141 B17R1.21375 CCNC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000737597 [0,0,1,1,0,0|2,0,0]=4 8142 B17R1.21375 CCOC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100000755133 [0,0,1,1,0,0|2,0,0]=4 8143 B17R1.21375 CCOC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100000755133 [0,0,1,1,0,0|2,0,0]=4 8144 B17R1.21375 CCOC(=O)CCCCCN1CCCCCC1 34a_100000185865_100000755133 [0,0,1,1,0,0|2,0,0]=4 8145 B17R1.21375 CCOC(=O)CCCCNC1CCCCCC1 2230a_100000210984_100000750268 [0,0,1,1,0,0|2,0,0]=4 8146 B17R1.21375 CCOC(=O)CCCCNC1CCCCCC1 34a_100000210984_100000750268 [0,0,1,1,0,0|2,0,0]=4 8147 B17R1.21375 CCOC(=O)CCCCOC1CCCCCC1 34a_100000210887_100000750268 [0,0,1,1,0,0|2,0,0]=4 8148 B17R1.21375 CCOC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000750268 [0,0,1,1,0,0|2,0,0]=4 8149 B17R1.21375 CCOC(=O)CCCCSC1CCCCCC1 62a_100000750268_100011217769 [0,0,1,1,0,0|2,0,0]=4 8150 B17R1.21375 CCOC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000750268 [0,0,1,1,0,0|2,0,0]=4 8151 B17R1.21375 CCOC(=O)CCCNCC1CCCCCC1 2230a_100015204231_100009991533 [0,0,1,1,0,0|2,0,0]=4 8152 B17R1.21375 CCOC(=O)CCCNCC1CCCCCC1 34a_100015204231_100009991533 [0,0,1,1,0,0|2,0,0]=4 8153 B17R1.21375 CCOC(=O)CCCOCC1CCCCCC1 34a_100000699130_100009991533 [0,0,1,1,0,0|2,0,0]=4 8154 B17R1.21375 CCOC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011215271 [0,0,1,1,0,0|2,0,0]=4 8155 B17R1.21375 CCOC(=O)CCCOCC1CCCCCC1 7a_100012001163_200000696569 [0,0,1,1,0,0|2,0,0]=4 8156 B17R1.21375 CCOC(=O)CCCSCC1CCCCCC1 62a_100009991533_200000696569 [0,0,1,1,0,0|2,0,0]=4 8157 B17R1.21375 CCOC(=O)CCCSCC1CCCCCC1 62a_200000696569_100009991533 [0,0,1,1,0,0|2,0,0]=4 8158 B17R1.21375 CCOC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100011206558 [0,0,1,1,0,0|2,0,0]=4 8159 B17R1.21375 CCOC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000765890 [0,0,1,1,0,0|2,0,0]=4 8160 B17R1.21839 C=CCN(C)C1CCCCCCCCCCC1 270004a_100000225617_100000210130 [0,0,1,1,0,0|2,0,0]=4 8161 B17R1.21839 CCCN(C)C1CCCCCCCCCCC1 270004a_100000747261_100000210130 [0,0,1,1,0,0|2,0,0]=4 8162 B17R1.25106 CCCCCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210314 [0,0,1,1,0,0|2,0,0]=4 8163 B17R1.25106 CCCCCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210757 [0,0,1,1,0,0|2,0,0]=4 8164 B17R1.25106 CCCCCOC1CCCCC1C(=O)OCC 7a_100000038711_100000210326 [0,0,1,1,0,0|2,0,0]=4 8165 B17R1.25295 CCCCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100011214924 [0,0,1,1,0,0|2,0,0]=4 8166 B17R1.25295 CCCCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210670 [0,0,1,1,0,0|2,0,0]=4 8167 B17R1.29104 C=CCN(C)C1CCCC1CCCCCCC 270004a_100000225617_200011216720 [0,0,1,1,0,0|2,0,0]=4 8168 B17R1.29104 CCCCCCCC1CCCC1N(C)CCC 270004a_100000747261_200011216720 [0,0,1,1,0,0|2,0,0]=4 8169 B17R1.29104 CCCCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210681 [0,0,1,1,0,0|2,0,0]=4 8170 B17R1.29104 CCCCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210681 [0,0,1,1,0,0|2,0,0]=4 8171 B17R1.29104 CCCCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210614 [0,0,1,1,0,0|2,0,0]=4 8172 B17R1.29104 CCCCCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210681 [0,0,1,1,0,0|2,0,0]=4 8173 B17R1.29104 CCCCCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210681 [0,0,1,1,0,0|2,0,0]=4 8174 B17R1.29104 CCCCCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210314 [0,0,1,1,0,0|2,0,0]=4 8175 B17R1.29490 CCCCCCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210759 [0,0,1,1,0,0|2,0,0]=4 8176 B17R1.29490 CCCCCCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210759 [0,0,1,1,0,0|2,0,0]=4 8177 B17R1.29490 CCCCCCCCN1CCNC(=O)C1CC 34a_100000187962_100000210759 [0,0,1,1,0,0|2,0,0]=4 8178 B17R1.30587 CCNC(=O)CCNC1CCCCCCCC1 270004a_100025743525_100000038600 [0,0,1,1,0,0|2,0,0]=4 8179 B17R1.30587 CCOC(=O)CCCN1CCCCCCCC1 2230a_100000039187_100009991533 [0,0,1,1,0,0|2,0,0]=4 8180 B17R1.30587 CCOC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100009991533 [0,0,1,1,0,0|2,0,0]=4 8181 B17R1.30587 CCOC(=O)CCCN1CCCCCCCC1 34a_100000039187_100009991533 [0,0,1,1,0,0|2,0,0]=4 8182 B17R1.278 CCCCCCCCCN1CC(CC(C1)C)C 2230a_100000210448_100011214924 [0,0,1,1,0,0|2,0,0]=4 8183 B17R1.278 CCCCCCCCCN1CC(CC(C1)C)C 269982a_100000210448_100000210670 [0,0,1,1,0,0|2,0,0]=4 8184 B17R1.278 CCCCCCCCCN1CC(CC(C1)C)C 34a_100000210448_100011214924 [0,0,1,1,0,0|2,0,0]=4 8185 B17R1.1484 C#CCCCCCCCC(=O)CC1CCCC1 1458a_100000087357_100000740388 [0,0,1,1,0,0|0,0,2]=4 8186 B17R1.1484 C#CCCCCCCCC(=O)CC1CCCC1 1458a_100000210891_100153394163 [0,0,1,1,0,0|0,0,2]=4 8187 B17R1.1484 C=CCCCCCCCC(=O)CC1CCCC1 1458a_100000210891_100012355270 [0,0,1,1,0,0|0,0,2]=4 8188 B17R1.1484 C=CCCCCCCCC(=O)CC1CCCC1 1458a_100011216160_100000740388 [0,0,1,1,0,0|0,0,2]=4 8189 B17R1.1484 CCCCC#CCCCC(=O)CC1CCCC1 1458a_100000210891_200000047210 [0,0,1,1,0,0|0,0,2]=4 8190 B17R1.1484 CCCCC/C=C/CCC(=O)CC1CCCC1 1458a_200015255902_100000740388 [0,0,1,1,0,0|0,0,2]=4 8191 B17R1.1484 CCCCCC/C=C/CC(=O)CC1CCCC1 1458a_100020681715_100000740388 [0,0,1,1,0,0|0,0,2]=4 8192 B17R1.1484 CCCCCCCC=CC(=O)CC1CCCC1 1458a_200015332781_100000740388 [0,0,1,1,0,0|0,0,2]=4 8193 B17R1.1484 CCCCCCCCCC(=O)C=C1CCCC1 1458a_100000743260_100000210670 [0,0,1,1,0,0|0,0,2]=4 8194 B17R1.1484 CCCCCCCCCC(=O)CC1=CCCC1 1458a_100000050221_100000210670 [0,0,1,1,0,0|0,0,2]=4 8195 B17R1.1484 CCCCCCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210670 [0,0,1,1,0,0|0,0,2]=4 8196 B17R1.1484 CCCCCCCCCC(=O)CC1CC=CC1 1458a_200000137526_100000210670 [0,0,1,1,0,0|0,0,2]=4 8197 B17R1.1484 CCCCCCCCCC(=O)CC1CCCC1 1458a_100000210558_100000740388 [0,0,1,1,0,0|0,0,0]=2 8198 B17R1.1484 CCCCCCCCCC(=O)CC1CCCC1 1458a_100000210891_100000210670 [0,0,1,1,0,0|0,0,0]=2 8199 B17R1.1484 CCCCCCCCCC(=O)CC1CCCO1 1458a_100000210558_100000203698 [0,0,1,1,0,0|1,0,0]=3 8200 B17R1.1484 CCCCCCCCCC(=O)CC1CCOC1 1458a_100000210558_100000702531 [0,0,1,1,0,0|1,0,0]=3 8201 B17R1.1484 CCCCCCCCCC(=O)CC1CCOC1 1458a_100011218419_100000210670 [0,0,1,1,0,0|1,0,0]=3 8202 B17R1.1484 CCCCCCCCCC(=O)CC1OCCO1 1458a_100000210558_100000755774 [0,0,1,1,0,0|2,0,0]=4 8203 B17R1.1484 CCCCCCCCCC(=O)CN1CCCC1 1458a_100000740243_100000210670 [0,0,1,1,0,0|1,0,0]=3 8204 B17R1.1484 CCCCCCCCCC(=O)NC1CCCC1 11a_100000211070_100000210558 [0,0,1,1,0,0|1,0,0]=3 8205 B17R1.1484 CCCCCCCCCC(=O)NC1CCCC1 1626a_100000211070_100000210558 [0,0,1,1,0,0|1,0,0]=3 8206 B17R1.1484 CCCCCCCCCC(=O)NC1CCCC1 240690a_100000211070_100000210558 [0,0,1,1,0,0|1,0,0]=3 8207 B17R1.1484 CCCCCCCCCC(=O)NC1CCCC1 527a_100000211070_100000210558 [0,0,1,1,0,0|1,0,0]=3 8208 B17R1.1484 CCCCCCCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210558 [0,0,1,1,0,0|2,0,0]=4 8209 B17R1.1484 CCCCCCCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210558 [0,0,1,1,0,0|2,0,0]=4 8210 B17R1.1484 CCCCCCCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210558 [0,0,1,1,0,0|2,0,0]=4 8211 B17R1.1484 CCCCCCCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210558 [0,0,1,1,0,0|2,0,0]=4 8212 B17R1.1484 CCCCCCCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210558 [0,0,1,1,0,0|2,0,0]=4 8213 B17R1.1484 CCCCCCCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210558 [0,0,1,1,0,0|2,0,0]=4 8214 B17R1.1484 CCCCCCCCCC(C)CN1CCCC1 270004a_100000188435_200011218516 [0,0,1,1,0,0|2,0,0]=4 8215 B17R1.1484 CCCCCCCCCN(C)CC1CCCC1 2230a_100000232482_100000740388 [0,0,1,1,0,0|2,0,0]=4 8216 B17R1.1484 CCCCCCCCCN(C)CC1CCCC1 269982a_100000232482_100000740388 [0,0,1,1,0,0|2,0,0]=4 8217 B17R1.1484 CCCCCCCCNC(=O)CC1CCCC1 11a_100000229939_100000210891 [0,0,1,1,0,0|1,0,0]=3 8218 B17R1.1484 CCCCCCCCNC(=O)CC1CCCC1 1626a_100000229939_100000210891 [0,0,1,1,0,0|1,0,0]=3 8219 B17R1.1484 CCCCCCCCNC(=O)CC1CCCC1 240690a_100000229939_100000210891 [0,0,1,1,0,0|1,0,0]=3 8220 B17R1.1484 CCCCCCCCNC(=O)CC1CCCC1 527a_100000229939_100000210891 [0,0,1,1,0,0|1,0,0]=3 8221 B17R1.1484 CCCCCCCCNC(=O)CC1CCOC1 11a_100000229939_100011218419 [0,0,1,1,0,0|2,0,0]=4 8222 B17R1.1484 CCCCCCCCNC(=O)CC1CCOC1 1626a_100000229939_100011218419 [0,0,1,1,0,0|2,0,0]=4 8223 B17R1.1484 CCCCCCCCNC(=O)CC1CCOC1 240690a_100000229939_100011218419 [0,0,1,1,0,0|2,0,0]=4 8224 B17R1.1484 CCCCCCCCNC(=O)CC1CCOC1 527a_100000229939_100011218419 [0,0,1,1,0,0|2,0,0]=4 8225 B17R1.1484 CCCCCCCCNC(=O)CN1CCCC1 240690a_100000229939_100000740243 [0,0,1,1,0,0|2,0,0]=4 8226 B17R1.1484 CCCCCCCCNC(=O)CN1CCCC1 527a_100000229939_100000740243 [0,0,1,1,0,0|2,0,0]=4 8227 B17R1.1484 CCCCCCCCNC(=O)NC1CCCC1 2708a_100000211070_100000229939 [0,0,1,1,0,0|2,0,0]=4 8228 B17R1.1484 CCCCCCCCNC(=O)NC1CCCC1 2708a_100000229939_100000211070 [0,0,1,1,0,0|2,0,0]=4 8229 B17R1.1484 CCCCCCCCNC(=O)NC1CCCC1 273464a_100000211070_100000229939 [0,0,1,1,0,0|2,0,0]=4 8230 B17R1.1484 CCCCCCCCNC(=O)NC1CCCC1 273464a_100000229939_100000211070 [0,0,1,1,0,0|2,0,0]=4 8231 B17R1.1484 CCCCCCCCNC(=O)NC1CCCC1 512a_100000211070_100000229939 [0,0,1,1,0,0|2,0,0]=4 8232 B17R1.1484 CCCCCCCCNC(=O)NC1CCCC1 512a_100000229939_100000211070 [0,0,1,1,0,0|2,0,0]=4 8233 B17R1.1484 CCCCCCCNCC(=O)NC1CCCC1 2230a_100000229938_100000183512 [0,0,1,1,0,0|2,0,0]=4 8234 B17R1.1484 CCCCCCCNCC(=O)NC1CCCC1 2230a_100000747513_100000210681 [0,0,1,1,0,0|2,0,0]=4 8235 B17R1.1484 CCCCCCCOCC(=O)NC1CCCC1 34a_100000210272_100000183512 [0,0,1,1,0,0|2,0,0]=4 8236 B17R1.1484 CCCCCCCOCC(=O)NC1CCCC1 7a_100000210272_100000183512 [0,0,1,1,0,0|2,0,0]=4 8237 B17R1.1484 CCCCCCCSCC(=O)NC1CCCC1 62a_100000183512_100000210316 [0,0,1,1,0,0|2,0,0]=4 8238 B17R1.1484 CCCCCCCSCC(=O)NC1CCCC1 62a_100000210614_100000183512 [0,0,1,1,0,0|2,0,0]=4 8239 B17R1.1484 CCCCCCNCCC(=O)NC1CCCC1 2230a_100000210581_100000743710 [0,0,1,1,0,0|2,0,0]=4 8240 B17R1.1484 CCCCCCOCCC(=O)NC1CCCC1 7a_100000210259_100000743710 [0,0,1,1,0,0|2,0,0]=4 8241 B17R1.1484 CCCCCCSCCC(=O)NC1CCCC1 62a_100000210314_100000743710 [0,0,1,1,0,0|2,0,0]=4 8242 B17R1.1484 CCCCCCSCCC(=O)NC1CCCC1 62a_100000743710_100000210757 [0,0,1,1,0,0|2,0,0]=4 8243 B17R1.1484 CCCCOCCCNC(=O)CC1CCCC1 1626a_200000211371_100000210891 [0,0,1,1,0,0|2,0,0]=4 8244 B17R1.1484 CCCCOCCCNC(=O)CC1CCCC1 240690a_200000211371_100000210891 [0,0,1,1,0,0|2,0,0]=4 8245 B17R1.1484 CCCCOCCCNC(=O)CC1CCCC1 527a_200000211371_100000210891 [0,0,1,1,0,0|2,0,0]=4 8246 B17R1.1484 CCCCOCCOCC(=O)CC1CCCC1 1458a_100011216887_100000740388 [0,0,1,1,0,0|2,0,0]=4 8247 B17R1.1484 O=C(CC1CCCC1)NCCCCCCCO 240690a_100011996573_100000210891 [0,0,1,1,0,0|2,0,0]=4 8248 B17R1.1484 O=C(CCCCCCCCO)CC1CCCC1 1458a_100000210891_100000033203 [0,0,1,1,0,0|1,0,0]=3 8249 B17R1.1484 O=C(CCCCCCCCO)CC1CCOC1 1458a_100011218419_100000033203 [0,0,1,1,0,0|2,0,0]=4 8250 B17R1.1484 O=C(CCCCCCCCO)CN1CCCC1 1458a_100000740243_100000033203 [0,0,1,1,0,0|2,0,0]=4 8251 B17R1.1484 O=C(CCCCCCCCO)NC1CCCC1 240690a_100000211070_100000015970 [0,0,1,1,0,0|2,0,0]=4 8252 B17R1.4571 CCCC(=O)CN(C)CCN1CCCCC1C 2230a_200011233311_100000747444 [0,0,1,1,0,0|2,0,0]=4 8253 B17R1.4571 CCCC(=O)CN(C)CCN1CCCCC1C 269982a_200011233311_100000747444 [0,0,1,1,0,0|2,0,0]=4 8254 B17R1.4571 CCCC(C)CC(=O)CCC1CCCCN1C 1458a_100000718493_100011216630 [0,0,1,1,0,0|1,0,0]=3 8255 B17R1.4571 CCCC(C)CC(=O)CCC1CCCCN1C 1458a_100000748435_100000211948 [0,0,1,1,0,0|1,0,0]=3 8256 B17R1.4571 CCCC(C)CC(=O)COC1CCCCC1C 1458a_100011223357_100011216630 [0,0,1,1,0,0|1,0,0]=3 8257 B17R1.4571 CCCC(C)CC(=O)NCC1CCCCC1O 240690a_100011216029_100000748435 [0,0,1,1,0,0|2,0,0]=4 8258 B17R1.4571 CCCC(C)CC(=O)NCC1CCCCC1O 527a_100011216029_100000748435 [0,0,1,1,0,0|2,0,0]=4 8259 B17R1.4571 CCCC(C)CC(=O)NCC1CCCCN1C 240690a_100011228421_100000748435 [0,0,1,1,0,0|2,0,0]=4 8260 B17R1.4571 CCCC(C)CC(=O)NCC1CCCCN1C 527a_100011228421_100000748435 [0,0,1,1,0,0|2,0,0]=4 8261 B17R1.4571 CCCC(C)NC(=O)CCC1CCCCN1C 240690a_100000741246_100000718493 [0,0,1,1,0,0|2,0,0]=4 8262 B17R1.4571 CCCC(C)NC(=O)CCC1CCCCN1C 527a_100000741246_100000718493 [0,0,1,1,0,0|2,0,0]=4 8263 B17R1.4571 CCCC(C)NC(=O)CCN1CCCCC1C 240690a_100000741246_100000727554 [0,0,1,1,0,0|2,0,0]=4 8264 B17R1.4571 CCCC(C)NC(=O)COC1CCCCC1C 11a_100000741246_100011223357 [0,0,1,1,0,0|2,0,0]=4 8265 B17R1.4571 CCCC(C)NC(=O)COC1CCCCC1C 1626a_100000741246_100011223357 [0,0,1,1,0,0|2,0,0]=4 8266 B17R1.4571 CCCC(C)NC(=O)COC1CCCCC1C 240690a_100000741246_100011223357 [0,0,1,1,0,0|2,0,0]=4 8267 B17R1.4571 CCCC(C)NC(=O)COC1CCCCC1C 527a_100000741246_100011223357 [0,0,1,1,0,0|2,0,0]=4 8268 B17R1.4571 CCSC(C)CC(=O)CCC1CCCCN1C 1458a_200011311441_100000211948 [0,0,1,1,0,0|2,0,0]=4 8269 B17R1.4582 CCCC(C)CC(=O)CCCCC1OCCO1 1458a_100000748435_100000034956 [0,0,1,1,0,0|2,0,0]=4 8270 B17R1.4582 CCCC(C)CC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_100011216630 [0,0,1,1,0,0|2,0,0]=4 8271 B17R1.4582 CCCC(C)CC(=O)CSCCN1CCCC1 1458a_200015187850_100011216630 [0,0,1,1,0,0|2,0,0]=4 8272 B17R1.4582 CCCC(C)CC(=O)NCCCC1CCCC1 11a_100000736752_100000748435 [0,0,1,1,0,0|1,0,0]=3 8273 B17R1.4582 CCCC(C)CC(=O)NCCCC1CCCC1 1626a_100000736752_100000748435 [0,0,1,1,0,0|1,0,0]=3 8274 B17R1.4582 CCCC(C)CC(=O)NCCCC1CCCC1 240690a_100000736752_100000748435 [0,0,1,1,0,0|1,0,0]=3 8275 B17R1.4582 CCCC(C)CC(=O)NCCCC1CCCC1 527a_100000736752_100000748435 [0,0,1,1,0,0|1,0,0]=3 8276 B17R1.4582 CCCC(C)CC(=O)NCCCN1CCCC1 240690a_100000204695_100000748435 [0,0,1,1,0,0|2,0,0]=4 8277 B17R1.4582 CCCC(C)CC(=O)NCCOC1CCCC1 11a_100000741755_100000748435 [0,0,1,1,0,0|2,0,0]=4 8278 B17R1.4582 CCCC(C)CC(=O)NCCOC1CCCC1 1626a_100000741755_100000748435 [0,0,1,1,0,0|2,0,0]=4 8279 B17R1.4582 CCCC(C)CC(=O)NCCOC1CCCC1 240690a_100000741755_100000748435 [0,0,1,1,0,0|2,0,0]=4 8280 B17R1.4582 CCCC(C)CC(=O)NCCOC1CCCC1 527a_100000741755_100000748435 [0,0,1,1,0,0|2,0,0]=4 8281 B17R1.4582 CCCC(C)NC(=O)NCCCC1CCCC1 2708a_100000736752_100000741246 [0,0,1,1,0,0|2,0,0]=4 8282 B17R1.4582 CCCC(C)NC(=O)NCCCC1CCCC1 2708a_100000741246_100000736752 [0,0,1,1,0,0|2,0,0]=4 8283 B17R1.4582 CCCC(C)NC(=O)NCCCC1CCCC1 273464a_100000741246_100000736752 [0,0,1,1,0,0|2,0,0]=4 8284 B17R1.4582 CCCC(C)NC(=O)NCCCC1CCCC1 512a_100000736752_100000741246 [0,0,1,1,0,0|2,0,0]=4 8285 B17R1.4582 CCCC(C)NC(=O)NCCCC1CCCC1 512a_100000741246_100000736752 [0,0,1,1,0,0|2,0,0]=4 8286 B17R1.4582 CCOC(=O)CC(C)NCCCC1CCCC1 2230a_100000736752_100009817359 [0,0,1,1,0,0|2,0,0]=4 8287 B17R1.4582 CCOC(=O)CC(C)OCCCC1CCCC1 7a_100011215328_100009817359 [0,0,1,1,0,0|2,0,0]=4 8288 B17R1.4582 CCOC(=O)CC(C)SCCCC1CCCC1 62a_100009817359_100011713738 [0,0,1,1,0,0|2,0,0]=4 8289 B17R1.4582 CCOC(=O)CC(C)SCCCC1CCCC1 62a_100011713738_100009817359 [0,0,1,1,0,0|2,0,0]=4 8290 B17R1.4582 CCOC(=O)C[C@@H](C)OCCCC1CCCC1 7a_100009816390_100011713738 [0,0,1,1,0,0|2,0,0]=4 8291 B17R1.4582 CCSC(C)CC(=O)NCCCC1CCCC1 11a_100000736752_200011311441 [0,0,1,1,0,0|2,0,0]=4 8292 B17R1.4582 CCSC(C)CC(=O)NCCCC1CCCC1 1626a_100000736752_200011311441 [0,0,1,1,0,0|2,0,0]=4 8293 B17R1.4582 CCSC(C)CC(=O)NCCCC1CCCC1 240690a_100000736752_200011311441 [0,0,1,1,0,0|2,0,0]=4 8294 B17R1.4582 CCSC(C)CC(=O)NCCCC1CCCC1 527a_100000736752_200011311441 [0,0,1,1,0,0|2,0,0]=4 8295 B17R1.5247 CCCCCCCCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210759 [0,0,1,1,0,0|2,0,0]=4 8296 B17R1.5247 CCCCCCCCNC1CC(=O)N(C1)CC 34a_100015184948_100000210759 [0,0,1,1,0,0|2,0,0]=4 8297 B17R1.5247 CCCCCCCNCC1CC(=O)N(C1)CC 2230a_100011935115_100000210681 [0,0,1,1,0,0|2,0,0]=4 8298 B17R1.5247 CCCCCCCNCC1CC(=O)N(C1)CC 34a_100011935115_100000210614 [0,0,1,1,0,0|2,0,0]=4 8299 B17R1.5247 CCCCCCCOCC1CC(=O)N(C1)CC 34a_100000758270_100000210614 [0,0,1,1,0,0|2,0,0]=4 8300 B17R1.5247 CCCCCCCOCC1CC(=O)N(C1)CC 7a_100000758270_100000210614 [0,0,1,1,0,0|2,0,0]=4 8301 B17R1.10668 CCCCCCN1CC[C@@H](C1)CC(=O)OCC 2230a_106256037354_100000210314 [0,0,1,1,0,0|2,0,0]=4 8302 B17R1.10668 CCCCCCN1CC[C@@H](C1)CC(=O)OCC 269982a_106256037354_100000210757 [0,0,1,1,0,0|2,0,0]=4 8303 B17R1.10685 CC(NC(=O)CCCCCCCCO)C1CC1 240690a_100000700016_100000015970 [0,0,1,1,0,0|2,0,0]=4 8304 B17R1.10685 CCCCCCCCCC(=O)C=C(C)C1CC1 1458a_100000742917_100000210670 [0,0,1,1,0,0|0,0,2]=4 8305 B17R1.10685 CCCCCCCCCC(=O)CC(=O)C1CC1 1458a_100000210558_100000746382 [0,0,1,1,0,0|1,0,1]=4 8306 B17R1.10685 CCCCCCCCCC(=O)NC(C)C1CC1 11a_100000700016_100000210558 [0,0,1,1,0,0|1,0,0]=3 8307 B17R1.10685 CCCCCCCCCC(=O)NC(C)C1CC1 1626a_100000700016_100000210558 [0,0,1,1,0,0|1,0,0]=3 8308 B17R1.10685 CCCCCCCCCC(=O)NC(C)C1CC1 240690a_100000700016_100000210558 [0,0,1,1,0,0|1,0,0]=3 8309 B17R1.10685 CCCCCCCCCC(=O)NC(C)C1CC1 527a_100000700016_100000210558 [0,0,1,1,0,0|1,0,0]=3 8310 B17R1.10685 CCCCCCCCCC(C)CN(C)C1CC1 270004a_100000226674_200011218516 [0,0,1,1,0,0|2,0,0]=4 8311 B17R1.10685 CCCCCCCCCN(C)CC(=O)C1CC1 2230a_100000232482_100000746382 [0,0,1,1,0,0|1,0,0]=3 8312 B17R1.10685 CCCCCCCCCN(C)CC(=O)C1CC1 269982a_100000232482_100000746382 [0,0,1,1,0,0|1,0,0]=3 8313 B17R1.10685 CCCCCCCCNC(=O)NC(C)C1CC1 2708a_100000229939_100000700016 [0,0,1,1,0,0|2,0,0]=4 8314 B17R1.10685 CCCCCCCCNC(=O)NC(C)C1CC1 2708a_100000700016_100000229939 [0,0,1,1,0,0|2,0,0]=4 8315 B17R1.10685 CCCCCCCCNC(=O)NC(C)C1CC1 273464a_100000229939_100000700016 [0,0,1,1,0,0|2,0,0]=4 8316 B17R1.10685 CCCCCCCCNC(=O)NC(C)C1CC1 273464a_100000700016_100000229939 [0,0,1,1,0,0|2,0,0]=4 8317 B17R1.10685 CCCCCCCCNC(=O)NC(C)C1CC1 512a_100000229939_100000700016 [0,0,1,1,0,0|2,0,0]=4 8318 B17R1.10685 CCCCCCCCNC(=O)NC(C)C1CC1 512a_100000700016_100000229939 [0,0,1,1,0,0|2,0,0]=4 8319 B17R1.18145 CCCC(C)CC(=O)C1CCCCN1CCC 1458a_100000743559_100011216630 [0,0,1,1,0,0|1,0,0]=3 8320 B17R1.18145 CCCC(C)CC(=O)N1CCCCC1CCC 11a_100000701414_100000748435 [0,0,1,1,0,0|1,0,0]=3 8321 B17R1.18145 CCCC(C)CC(=O)N1CCCCC1CCC 1626a_100000701414_100000748435 [0,0,1,1,0,0|1,0,0]=3 8322 B17R1.18145 CCCC(C)CC(=O)N1CCCCC1CCC 240690a_100000701414_100000748435 [0,0,1,1,0,0|1,0,0]=3 8323 B17R1.18145 CCCC(C)CC(=O)N1CCCCC1CCC 527a_100000701414_100000748435 [0,0,1,1,0,0|1,0,0]=3 8324 B17R1.18145 CCCC(C)CC(=O)N1CCCCC1CCO 240690a_100000211664_100000748435 [0,0,1,1,0,0|2,0,0]=4 8325 B17R1.18145 CCCC(C)CC(=O)N1CCCCC1COC 11a_100015184032_100000748435 [0,0,1,1,0,0|2,0,0]=4 8326 B17R1.18145 CCCC(C)CC(=O)N1CCCCC1COC 1626a_100015184032_100000748435 [0,0,1,1,0,0|2,0,0]=4 8327 B17R1.18145 CCCC(C)CC(=O)N1CCCCC1COC 240690a_100015184032_100000748435 [0,0,1,1,0,0|2,0,0]=4 8328 B17R1.18145 CCCC(C)CC(=O)N1CCCCC1COC 527a_100015184032_100000748435 [0,0,1,1,0,0|2,0,0]=4 8329 B17R1.18145 CCCC(C)CC(=O)N1CCOCC1CCC 11a_102495339903_100000748435 [0,0,1,1,0,0|2,0,0]=4 8330 B17R1.18145 CCCC(C)CC(=O)N1CCOCC1CCC 1626a_102495339903_100000748435 [0,0,1,1,0,0|2,0,0]=4 8331 B17R1.18145 CCCC(C)CC(=O)N1CCOCC1CCC 240690a_102495339903_100000748435 [0,0,1,1,0,0|2,0,0]=4 8332 B17R1.18145 CCCC(C)CC(=O)N1CCOCC1CCC 527a_102495339903_100000748435 [0,0,1,1,0,0|2,0,0]=4 8333 B17R1.18145 CCCC(C)NC(=O)C1CCCCN1CCC 240690a_100000741246_100000743559 [0,0,1,1,0,0|2,0,0]=4 8334 B17R1.18145 CCCC(C)NC(=O)N1CCCCC1CCC 2708a_100000741246_100000701414 [0,0,1,1,0,0|2,0,0]=4 8335 B17R1.18145 CCCC(C)NC(=O)N1CCCCC1CCC 273464a_100000741246_100000701414 [0,0,1,1,0,0|2,0,0]=4 8336 B17R1.18145 CCCC1CCCCC1N(C)CC(=O)NCC 270004a_100000741943_100011218038 [0,0,1,1,0,0|2,0,0]=4 8337 B17R1.18145 CCCC1CCCCC1N(C)CC(=O)OCC 270004a_100000220588_100011218038 [0,0,1,1,0,0|2,0,0]=4 8338 B17R1.18145 CCCC1CCCCN1C(=O)CC(C)SCC 11a_100000701414_200011311441 [0,0,1,1,0,0|2,0,0]=4 8339 B17R1.18145 CCCC1CCCCN1C(=O)CC(C)SCC 1626a_100000701414_200011311441 [0,0,1,1,0,0|2,0,0]=4 8340 B17R1.18145 CCCC1CCCCN1C(=O)CC(C)SCC 240690a_100000701414_200011311441 [0,0,1,1,0,0|2,0,0]=4 8341 B17R1.18145 CCCC1CCCCN1C(=O)CC(C)SCC 527a_100000701414_200011311441 [0,0,1,1,0,0|2,0,0]=4 8342 B17R1.18145 CCCC1CCCCN1C(C)CC(=O)OCC 2230a_100000701414_100009817359 [0,0,1,1,0,0|2,0,0]=4 8343 B17R1.18145 CCCC1CCCCN1C(C)CC(=O)OCC 269982a_100000701414_100009817359 [0,0,1,1,0,0|2,0,0]=4 8344 B17R1.18502 C#CCCCCCCCC(=O)C1CCCC1C 1458a_100000690547_100153394163 [0,0,1,1,0,0|0,0,2]=4 8345 B17R1.18502 C=CCCCCCCCC(=O)C1CCCC1C 1458a_100000690547_100012355270 [0,0,1,1,0,0|0,0,2]=4 8346 B17R1.18502 CC1CCCC1C(=O)CCCCCCCCO 1458a_100000690547_100000033203 [0,0,1,1,0,0|1,0,0]=3 8347 B17R1.18502 CC1CCCC1C(=O)NCCCCCCCO 240690a_100011996573_100000690547 [0,0,1,1,0,0|2,0,0]=4 8348 B17R1.18502 CCCCC#CCCCC(=O)C1CCCC1C 1458a_100000690547_200000047210 [0,0,1,1,0,0|0,0,2]=4 8349 B17R1.18502 CCCCCCCCCC(=O)C1CCCC1=O 1458a_100000210558_100000211823 [0,0,1,1,0,0|1,0,1]=4 8350 B17R1.18502 CCCCCCCCCC(=O)C1CCCC1C 1458a_100000690547_100000210670 [0,0,1,1,0,0|0,0,0]=2 8351 B17R1.18502 CCCCCCCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210558 [0,0,1,1,0,0|1,0,0]=3 8352 B17R1.18502 CCCCCCCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210558 [0,0,1,1,0,0|1,0,0]=3 8353 B17R1.18502 CCCCCCCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210558 [0,0,1,1,0,0|1,0,0]=3 8354 B17R1.18502 CCCCCCCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210558 [0,0,1,1,0,0|1,0,0]=3 8355 B17R1.18502 CCCCCCCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210558 [0,0,1,1,0,0|1,0,0]=3 8356 B17R1.18502 CCCCCCCCCC(=O)N1CCSC1C 11a_200011216479_100000210558 [0,0,1,1,0,0|2,0,0]=4 8357 B17R1.18502 CCCCCCCCCC(=O)N1CCSC1C 1626a_200011216479_100000210558 [0,0,1,1,0,0|2,0,0]=4 8358 B17R1.18502 CCCCCCCCCC(=O)N1CCSC1C 240690a_200011216479_100000210558 [0,0,1,1,0,0|2,0,0]=4 8359 B17R1.18502 CCCCCCCCCC(=O)N1CCSC1C 527a_200011216479_100000210558 [0,0,1,1,0,0|2,0,0]=4 8360 B17R1.18502 CCCCCCCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210670 [0,0,1,1,0,0|1,0,0]=3 8361 B17R1.18502 CCCCCCCCCN(C)C1CCCC1=O 2230a_100000232482_100000211823 [0,0,1,1,0,0|1,0,0]=3 8362 B17R1.18502 CCCCCCCCCN(C)C1CCCC1=O 269982a_100000232482_100000211823 [0,0,1,1,0,0|1,0,0]=3 8363 B17R1.18502 CCCCCCCCCN(C)C1CCOC1=O 2230a_100000232482_100000211211 [0,0,1,1,0,0|2,0,0]=4 8364 B17R1.18502 CCCCCCCCCN(C)C1CCOC1=O 269982a_100000232482_100000211211 [0,0,1,1,0,0|2,0,0]=4 8365 B17R1.18502 CCCCCCCCNC(=O)C1CCCC1C 11a_100000229939_100000690547 [0,0,1,1,0,0|1,0,0]=3 8366 B17R1.18502 CCCCCCCCNC(=O)C1CCCC1C 1626a_100000229939_100000690547 [0,0,1,1,0,0|1,0,0]=3 8367 B17R1.18502 CCCCCCCCNC(=O)C1CCCC1C 240690a_100000229939_100000690547 [0,0,1,1,0,0|1,0,0]=3 8368 B17R1.18502 CCCCCCCCNC(=O)C1CCCC1C 527a_100000229939_100000690547 [0,0,1,1,0,0|1,0,0]=3 8369 B17R1.18502 CCCCCCCCNC(=O)N1CCC[C@@H]1C 2708a_100000229939_100020605311 [0,0,1,1,0,0|2,0,0]=4 8370 B17R1.18502 CCCCCCCCNC(=O)N1CCC[C@@H]1C 273464a_100000229939_100020605311 [0,0,1,1,0,0|2,0,0]=4 8371 B17R1.18502 CCCCCCCCNC(=O)N1CCC[C@H]1C 2708a_100000229939_100015189458 [0,0,1,1,0,0|2,0,0]=4 8372 B17R1.18502 CCCCCCCCNC(=O)N1CCC[C@H]1C 273464a_100000229939_100015189458 [0,0,1,1,0,0|2,0,0]=4 8373 B17R1.18502 CCCCCCCCNC(=O)[C@@H]1CCCN1C 11a_100000229939_100009816429 [0,0,1,1,0,0|2,0,0]=4 8374 B17R1.18502 CCCCCCCCNC(=O)[C@@H]1CCCN1C 240690a_100000229939_100009816429 [0,0,1,1,0,0|2,0,0]=4 8375 B17R1.18502 CCCCCCCCNC(=O)[C@@H]1CCCN1C 527a_100000229939_100009816429 [0,0,1,1,0,0|2,0,0]=4 8376 B17R1.18502 CCCCOCCCNC(=O)C1CCCC1C 1626a_200000211371_100000690547 [0,0,1,1,0,0|2,0,0]=4 8377 B17R1.18502 CCCCOCCCNC(=O)C1CCCC1C 240690a_200000211371_100000690547 [0,0,1,1,0,0|2,0,0]=4 8378 B17R1.18502 CCCCOCCCNC(=O)C1CCCC1C 527a_200000211371_100000690547 [0,0,1,1,0,0|2,0,0]=4 8379 B17R1.18502 CN1CCC[C@H]1C(=O)CCCCCCCCO 1458a_100009816429_100000033203 [0,0,1,1,0,0|2,0,0]=4 8380 B17R1.18502 C[C@@H]1CCCN1C(=O)CCCCCCCCO 240690a_100015189458_100000015970 [0,0,1,1,0,0|2,0,0]=4 8381 B17R1.18502 C[C@H]1CCCN1C(=O)CCCCCCCCO 240690a_100020605311_100000015970 [0,0,1,1,0,0|2,0,0]=4 8382 B17R1.18504 CCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100000210558_100009874392 [0,0,1,1,0,0|1,0,1]=4 8383 B17R1.18504 CCCCCCCCCC(=O)NC1CC(C1)F 11a_100016993743_100000210558 [0,0,1,1,0,0|2,0,0]=4 8384 B17R1.18504 CCCCCCCCCC(=O)NC1CC(C1)F 1626a_100016993743_100000210558 [0,0,1,1,0,0|2,0,0]=4 8385 B17R1.18504 CCCCCCCCCC(=O)NC1CC(C1)F 240690a_100016993743_100000210558 [0,0,1,1,0,0|2,0,0]=4 8386 B17R1.18504 CCCCCCCCCC(=O)NC1CC(C1)F 527a_100016993743_100000210558 [0,0,1,1,0,0|2,0,0]=4 8387 B17R1.18504 CCCCCCCCCC(=O)NC1CN(C1)C 240690a_100015196640_100000210558 [0,0,1,1,0,0|2,0,0]=4 8388 B17R1.18504 CCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210558 [0,0,1,1,0,0|2,0,0]=4 8389 B17R1.18504 CCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210558 [0,0,1,1,0,0|2,0,0]=4 8390 B17R1.18504 CCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210558 [0,0,1,1,0,0|2,0,0]=4 8391 B17R1.18504 CCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210558 [0,0,1,1,0,0|2,0,0]=4 8392 B17R1.18504 CCCCCCCCCC(C)CN1CC(C1)C 270004a_100000702820_200011218516 [0,0,1,1,0,0|2,0,0]=4 8393 B17R1.21808 CCCC(C)CC(=O)NCC1CCCN1CC 11a_100000211693_100000748435 [0,0,1,1,0,0|2,0,0]=4 8394 B17R1.21808 CCCC(C)CC(=O)NCC1CCCN1CC 1626a_100000211693_100000748435 [0,0,1,1,0,0|2,0,0]=4 8395 B17R1.21808 CCCC(C)CC(=O)NCC1CCCN1CC 240690a_100000211693_100000748435 [0,0,1,1,0,0|2,0,0]=4 8396 B17R1.21808 CCCC(C)CC(=O)NCC1CCCN1CC 527a_100000211693_100000748435 [0,0,1,1,0,0|2,0,0]=4 8397 B17R1.21809 CCCC(C)CC(=O)NCCC1CCCN1C 240690a_100011219722_100000748435 [0,0,1,1,0,0|2,0,0]=4 8398 B17R1.21809 CCCC(C)CC(=O)NCCC1CCCN1C 527a_100011219722_100000748435 [0,0,1,1,0,0|2,0,0]=4 8399 B17R1.21825 CCCC(C)CC(=O)NC1CCCCC1OC 11a_100011208099_100000748435 [0,0,1,1,0,0|2,0,0]=4 8400 B17R1.21825 CCCC(C)CC(=O)NC1CCCCC1OC 1626a_100011208099_100000748435 [0,0,1,1,0,0|2,0,0]=4 8401 B17R1.21825 CCCC(C)CC(=O)NC1CCCCC1OC 240690a_100011208099_100000748435 [0,0,1,1,0,0|2,0,0]=4 8402 B17R1.21825 CCCC(C)CC(=O)NC1CCCCC1OC 527a_100011208099_100000748435 [0,0,1,1,0,0|2,0,0]=4 8403 B17R1.21825 CCOC(=O)CC(C)OC1CCCCC1CC 7a_100000210738_100009817359 [0,0,1,1,0,0|2,0,0]=4 8404 B17R1.22068 C=C(CCC)CC(=O)CCCC1CCCCC1 1458a_100000138376_100011713725 [0,0,1,1,0,0|0,0,2]=4 8405 B17R1.22068 CCCC(=CC(=O)CCCC1CCCCC1)C 1458a_100020676950_100011713725 [0,0,1,1,0,0|0,0,2]=4 8406 B17R1.22068 CCCC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000747444 [0,0,1,1,0,0|1,0,1]=4 8407 B17R1.22068 CCCC(C)CC(=O)CCCC1CCCCC1 1458a_100000211478_100011216630 [0,0,1,1,0,0|0,0,0]=2 8408 B17R1.22068 CCCC(C)CC(=O)CCCC1CCCCC1 1458a_100000748435_100011713725 [0,0,1,1,0,0|0,0,0]=2 8409 B17R1.22068 CCCC(C)CC(=O)CCCN1CCCCC1 1458a_100000742516_100011216630 [0,0,1,1,0,0|1,0,0]=3 8410 B17R1.22068 CCCC(C)CC(=O)CCCN1CCCCC1 1458a_100000748435_100000690320 [0,0,1,1,0,0|1,0,0]=3 8411 B17R1.22068 CCCC(C)CC(=O)CCCN1CCOCC1 1458a_100000748435_100000748698 [0,0,1,1,0,0|2,0,0]=4 8412 B17R1.22068 CCCC(C)CC(=O)CCOC1CCCCC1 1458a_100000748435_100011211530 [0,0,1,1,0,0|1,0,0]=3 8413 B17R1.22068 CCCC(C)CC(=O)CCOC1CCCCO1 1458a_100000748435_100000744793 [0,0,1,1,0,0|2,0,0]=4 8414 B17R1.22068 CCCC(C)CC(=O)COCC1CCCCO1 1458a_100011223378_100011216630 [0,0,1,1,0,0|2,0,0]=4 8415 B17R1.22068 CCCC(C)CC(=O)NCCC1CCCCC1 11a_100000738074_100000748435 [0,0,1,1,0,0|1,0,0]=3 8416 B17R1.22068 CCCC(C)CC(=O)NCCC1CCCCC1 1626a_100000738074_100000748435 [0,0,1,1,0,0|1,0,0]=3 8417 B17R1.22068 CCCC(C)CC(=O)NCCC1CCCCC1 240690a_100000738074_100000748435 [0,0,1,1,0,0|1,0,0]=3 8418 B17R1.22068 CCCC(C)CC(=O)NCCC1CCCCC1 527a_100000738074_100000748435 [0,0,1,1,0,0|1,0,0]=3 8419 B17R1.22068 CCCC(C)CC(=O)NCCC1CCCCO1 11a_100015183643_100000748435 [0,0,1,1,0,0|2,0,0]=4 8420 B17R1.22068 CCCC(C)CC(=O)NCCC1CCCCO1 1626a_100015183643_100000748435 [0,0,1,1,0,0|2,0,0]=4 8421 B17R1.22068 CCCC(C)CC(=O)NCCC1CCCCO1 240690a_100015183643_100000748435 [0,0,1,1,0,0|2,0,0]=4 8422 B17R1.22068 CCCC(C)CC(=O)NCCC1CCCCO1 527a_100015183643_100000748435 [0,0,1,1,0,0|2,0,0]=4 8423 B17R1.22068 CCCC(C)CC(=O)NCCC1CCOCC1 11a_100000755988_100000748435 [0,0,1,1,0,0|2,0,0]=4 8424 B17R1.22068 CCCC(C)CC(=O)NCCC1CCOCC1 1626a_100000755988_100000748435 [0,0,1,1,0,0|2,0,0]=4 8425 B17R1.22068 CCCC(C)CC(=O)NCCC1CCOCC1 240690a_100000755988_100000748435 [0,0,1,1,0,0|2,0,0]=4 8426 B17R1.22068 CCCC(C)CC(=O)NCCC1CCOCC1 527a_100000755988_100000748435 [0,0,1,1,0,0|2,0,0]=4 8427 B17R1.22068 CCCC(C)CC(=O)NCCN1CCCCC1 240690a_100000216509_100000748435 [0,0,1,1,0,0|2,0,0]=4 8428 B17R1.22068 CCCC(C)CC(=O)NCCN1CCCCC1 527a_100000216509_100000748435 [0,0,1,1,0,0|2,0,0]=4 8429 B17R1.22068 CCCC(C)CC(=O)NNCC1CCCCC1 22a_100000740227_100000748435 [0,0,1,1,0,0|2,0,0]=4 8430 B17R1.22068 CCCC(C)NC(=O)CCCC1CCCCC1 11a_100000741246_100000211478 [0,0,1,1,0,0|1,0,0]=3 8431 B17R1.22068 CCCC(C)NC(=O)CCCC1CCCCC1 1626a_100000741246_100000211478 [0,0,1,1,0,0|1,0,0]=3 8432 B17R1.22068 CCCC(C)NC(=O)CCCC1CCCCC1 240690a_100000741246_100000211478 [0,0,1,1,0,0|1,0,0]=3 8433 B17R1.22068 CCCC(C)NC(=O)CCCC1CCCCC1 527a_100000741246_100000211478 [0,0,1,1,0,0|1,0,0]=3 8434 B17R1.22068 CCCC(C)NC(=O)CCCN1CCCCC1 240690a_100000741246_100000742516 [0,0,1,1,0,0|2,0,0]=4 8435 B17R1.22068 CCCC(C)NC(=O)NCCC1CCCCC1 2708a_100000738074_100000741246 [0,0,1,1,0,0|2,0,0]=4 8436 B17R1.22068 CCCC(C)NC(=O)NCCC1CCCCC1 2708a_100000741246_100000738074 [0,0,1,1,0,0|2,0,0]=4 8437 B17R1.22068 CCCC(C)NC(=O)NCCC1CCCCC1 273464a_100000741246_100000738074 [0,0,1,1,0,0|2,0,0]=4 8438 B17R1.22068 CCCC(C)NC(=O)NCCC1CCCCC1 512a_100000738074_100000741246 [0,0,1,1,0,0|2,0,0]=4 8439 B17R1.22068 CCCC(C)NC(=O)NCCC1CCCCC1 512a_100000741246_100000738074 [0,0,1,1,0,0|2,0,0]=4 8440 B17R1.22068 CCCS(=O)CC(=O)CCCC1CCCCC1 1458a_100011387404_100011713725 [0,0,1,1,0,0|2,0,0]=4 8441 B17R1.22068 CCNC(=O)CN(C)CCCC1CCCCC1 2230a_100000741943_100011713725 [0,0,1,1,0,0|2,0,0]=4 8442 B17R1.22068 CCNC(=O)CN(C)CCCC1CCCCC1 269982a_100000741943_100011713725 [0,0,1,1,0,0|2,0,0]=4 8443 B17R1.22068 CCOC(=O)CC(C)NCCC1CCCCC1 2230a_100000738074_100009817359 [0,0,1,1,0,0|2,0,0]=4 8444 B17R1.22068 CCOC(=O)CC(C)OCCC1CCCCC1 7a_100011217863_100009817359 [0,0,1,1,0,0|2,0,0]=4 8445 B17R1.22068 CCOC(=O)CC(C)SCCC1CCCCC1 62a_100009817359_100012355289 [0,0,1,1,0,0|2,0,0]=4 8446 B17R1.22068 CCOC(=O)CC(C)SCCC1CCCCC1 62a_100012355289_100009817359 [0,0,1,1,0,0|2,0,0]=4 8447 B17R1.22068 CCOC(=O)CN(C)CCCC1CCCCC1 2230a_100000220588_100011713725 [0,0,1,1,0,0|2,0,0]=4 8448 B17R1.22068 CCOC(=O)C[C@@H](C)OCCC1CCCCC1 7a_100009816390_100011273959 [0,0,1,1,0,0|2,0,0]=4 8449 B17R1.22068 CCSC(C)CC(=O)CCCC1CCCCC1 1458a_200011311441_100011713725 [0,0,1,1,0,0|1,0,0]=3 8450 B17R1.22068 CCSC(C)CC(=O)CCCN1CCCCC1 1458a_200011311441_100000690320 [0,0,1,1,0,0|2,0,0]=4 8451 B17R1.22068 CCSC(C)CC(=O)CCOC1CCCCC1 1458a_200011311441_100011211530 [0,0,1,1,0,0|2,0,0]=4 8452 B17R1.22068 CCSC(C)CC(=O)NCCC1CCCCC1 11a_100000738074_200011311441 [0,0,1,1,0,0|2,0,0]=4 8453 B17R1.22068 CCSC(C)CC(=O)NCCC1CCCCC1 1626a_100000738074_200011311441 [0,0,1,1,0,0|2,0,0]=4 8454 B17R1.22068 CCSC(C)CC(=O)NCCC1CCCCC1 240690a_100000738074_200011311441 [0,0,1,1,0,0|2,0,0]=4 8455 B17R1.22068 CCSC(C)CC(=O)NCCC1CCCCC1 527a_100000738074_200011311441 [0,0,1,1,0,0|2,0,0]=4 8456 B17R1.22068 COC[C@@H](C)NC(=O)CCCC1CCCCC1 11a_100000764878_100000211478 [0,0,1,1,0,0|2,0,0]=4 8457 B17R1.22068 COC[C@@H](C)NC(=O)CCCC1CCCCC1 1626a_100000764878_100000211478 [0,0,1,1,0,0|2,0,0]=4 8458 B17R1.22068 COC[C@@H](C)NC(=O)CCCC1CCCCC1 240690a_100000764878_100000211478 [0,0,1,1,0,0|2,0,0]=4 8459 B17R1.22068 COC[C@@H](C)NC(=O)CCCC1CCCCC1 527a_100000764878_100000211478 [0,0,1,1,0,0|2,0,0]=4 8460 B17R1.22068 C[C@H](CCO)NC(=O)CCCC1CCCCC1 240690a_100000706166_100000211478 [0,0,1,1,0,0|2,0,0]=4 8461 B17R1.22068 C[C@H](CCO)NC(=O)CCCC1CCCCC1 527a_100000706166_100000211478 [0,0,1,1,0,0|2,0,0]=4 8462 B17R1.25267 CCCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100011214924 [0,0,1,1,0,0|2,0,0]=4 8463 B17R1.26120 CCCCC1CCCC1N(C)CC(=O)NCC 270004a_100000741943_100000750825 [0,0,1,1,0,0|2,0,0]=4 8464 B17R1.26120 CCCCC1CCCC1N(C)CC(=O)OCC 270004a_100000220588_100000750825 [0,0,1,1,0,0|2,0,0]=4 8465 B17R1.29438 CCCC(=O)CN1CCCC(C1)CCCOC 2230a_200011934583_100000747444 [0,0,1,1,0,0|2,0,0]=4 8466 B17R1.29438 CCCC(=O)CN1CCCC(C1)CCCOC 269982a_200011934583_100000747444 [0,0,1,1,0,0|2,0,0]=4 8467 B17R1.29438 CCCCCN1CCCC(C1)CC(=O)OCC 2230a_100015200144_100000210326 [0,0,1,1,0,0|2,0,0]=4 8468 B17R1.29438 CCCCCN1CCCC(C1)CC(=O)OCC 269982a_100015200144_100000210215 [0,0,1,1,0,0|2,0,0]=4 8469 B17R1.36922 CCCC(C)CC(=O)N1CCCCCCCC1 11a_100000039187_100000748435 [0,0,1,1,0,0|1,0,0]=3 8470 B17R1.36922 CCCC(C)CC(=O)N1CCCCCCCC1 1626a_100000039187_100000748435 [0,0,1,1,0,0|1,0,0]=3 8471 B17R1.36922 CCCC(C)CC(=O)N1CCCCCCCC1 240690a_100000039187_100000748435 [0,0,1,1,0,0|1,0,0]=3 8472 B17R1.36922 CCCC(C)CC(=O)N1CCCCCCCC1 527a_100000039187_100000748435 [0,0,1,1,0,0|1,0,0]=3 8473 B17R1.36922 CCCC(C)NC(=O)N1CCCCCCCC1 2708a_100000741246_100000039187 [0,0,1,1,0,0|2,0,0]=4 8474 B17R1.36922 CCCC(C)NC(=O)N1CCCCCCCC1 273464a_100000741246_100000039187 [0,0,1,1,0,0|2,0,0]=4 8475 B17R1.36922 CCNC(=O)CN(C)C1CCCCCCCC1 270004a_100000741943_100000038600 [0,0,1,1,0,0|2,0,0]=4 8476 B17R1.36922 CCOC(=O)CC(C)N1CCCCCCCC1 2230a_100000039187_100009817359 [0,0,1,1,0,0|2,0,0]=4 8477 B17R1.36922 CCOC(=O)CC(C)N1CCCCCCCC1 269982a_100000039187_100009817359 [0,0,1,1,0,0|2,0,0]=4 8478 B17R1.36922 CCOC(=O)CN(C)C1CCCCCCCC1 270004a_100000220588_100000038600 [0,0,1,1,0,0|2,0,0]=4 8479 B17R1.36922 CCSC(C)CC(=O)N1CCCCCCCC1 11a_100000039187_200011311441 [0,0,1,1,0,0|2,0,0]=4 8480 B17R1.36922 CCSC(C)CC(=O)N1CCCCCCCC1 1626a_100000039187_200011311441 [0,0,1,1,0,0|2,0,0]=4 8481 B17R1.36922 CCSC(C)CC(=O)N1CCCCCCCC1 240690a_100000039187_200011311441 [0,0,1,1,0,0|2,0,0]=4 8482 B17R1.36922 CCSC(C)CC(=O)N1CCCCCCCC1 527a_100000039187_200011311441 [0,0,1,1,0,0|2,0,0]=4 8483 B17R1.36949 CCCC(=O)CN(C)CCN1CCCCCC1 269982a_106744473495_100000747444 [0,0,1,1,0,0|2,0,0]=4 8484 B17R1.36949 CCCC(C)CC(=O)CCN1CCCCCC1 1458a_100000740320_100011216630 [0,0,1,1,0,0|1,0,0]=3 8485 B17R1.36949 CCCC(C)CC(=O)CCN1CCCCCC1 1458a_100000748435_100000722644 [0,0,1,1,0,0|1,0,0]=3 8486 B17R1.36949 CCCC(C)CC(=O)NCC1CCCCCC1 11a_100015204231_100000748435 [0,0,1,1,0,0|1,0,0]=3 8487 B17R1.36949 CCCC(C)CC(=O)NCC1CCCCCC1 1626a_100015204231_100000748435 [0,0,1,1,0,0|1,0,0]=3 8488 B17R1.36949 CCCC(C)CC(=O)NCC1CCCCCC1 240690a_100015204231_100000748435 [0,0,1,1,0,0|1,0,0]=3 8489 B17R1.36949 CCCC(C)CC(=O)NCC1CCCCCC1 527a_100015204231_100000748435 [0,0,1,1,0,0|1,0,0]=3 8490 B17R1.36949 CCCC(C)NC(=O)CCN1CCCCCC1 240690a_100000741246_100000740320 [0,0,1,1,0,0|2,0,0]=4 8491 B17R1.36949 CCCC(C)NC(=O)NCC1CCCCCC1 2708a_100000741246_100015204231 [0,0,1,1,0,0|2,0,0]=4 8492 B17R1.36949 CCCC(C)NC(=O)NCC1CCCCCC1 2708a_100015204231_100000741246 [0,0,1,1,0,0|2,0,0]=4 8493 B17R1.36949 CCCC(C)NC(=O)NCC1CCCCCC1 273464a_100000741246_100015204231 [0,0,1,1,0,0|2,0,0]=4 8494 B17R1.36949 CCCC(C)NC(=O)NCC1CCCCCC1 512a_100000741246_100015204231 [0,0,1,1,0,0|2,0,0]=4 8495 B17R1.36949 CCOC(=O)CC(C)NCC1CCCCCC1 2230a_100015204231_100009817359 [0,0,1,1,0,0|2,0,0]=4 8496 B17R1.36949 CCOC(=O)CC(C)OCC1CCCCCC1 7a_100000699130_100009817359 [0,0,1,1,0,0|2,0,0]=4 8497 B17R1.36949 CCOC(=O)CC(C)SCC1CCCCCC1 62a_100009817359_200000696569 [0,0,1,1,0,0|2,0,0]=4 8498 B17R1.36949 CCOC(=O)CC(C)SCC1CCCCCC1 62a_200000696569_100009817359 [0,0,1,1,0,0|2,0,0]=4 8499 B17R1.36949 CCOC(=O)C[C@@H](C)OCC1CCCCCC1 7a_100009816390_200000696569 [0,0,1,1,0,0|2,0,0]=4 8500 B17R1.36949 CCSC(C)CC(=O)CCN1CCCCCC1 1458a_200011311441_100000722644 [0,0,1,1,0,0|2,0,0]=4 8501 B17R1.36949 CCSC(C)CC(=O)NCC1CCCCCC1 11a_100015204231_200011311441 [0,0,1,1,0,0|2,0,0]=4 8502 B17R1.36949 CCSC(C)CC(=O)NCC1CCCCCC1 1626a_100015204231_200011311441 [0,0,1,1,0,0|2,0,0]=4 8503 B17R1.36949 CCSC(C)CC(=O)NCC1CCCCCC1 240690a_100015204231_200011311441 [0,0,1,1,0,0|2,0,0]=4 8504 B17R1.36949 CCSC(C)CC(=O)NCC1CCCCCC1 527a_100015204231_200011311441 [0,0,1,1,0,0|2,0,0]=4 8505 B17R1.37138 CCCC(C)CC(=O)NC1CCCCCCC1 11a_100000211152_100000748435 [0,0,1,1,0,0|1,0,0]=3 8506 B17R1.37138 CCCC(C)CC(=O)NC1CCCCCCC1 1626a_100000211152_100000748435 [0,0,1,1,0,0|1,0,0]=3 8507 B17R1.37138 CCCC(C)CC(=O)NC1CCCCCCC1 240690a_100000211152_100000748435 [0,0,1,1,0,0|1,0,0]=3 8508 B17R1.37138 CCCC(C)CC(=O)NC1CCCCCCC1 527a_100000211152_100000748435 [0,0,1,1,0,0|1,0,0]=3 8509 B17R1.37138 CCCC(C)NC(=O)NC1CCCCCCC1 2708a_100000211152_100000741246 [0,0,1,1,0,0|2,0,0]=4 8510 B17R1.37138 CCCC(C)NC(=O)NC1CCCCCCC1 2708a_100000741246_100000211152 [0,0,1,1,0,0|2,0,0]=4 8511 B17R1.37138 CCCC(C)NC(=O)NC1CCCCCCC1 273464a_100000741246_100000211152 [0,0,1,1,0,0|2,0,0]=4 8512 B17R1.37138 CCCC(C)NC(=O)NC1CCCCCCC1 512a_100000211152_100000741246 [0,0,1,1,0,0|2,0,0]=4 8513 B17R1.37138 CCCC(C)NC(=O)NC1CCCCCCC1 512a_100000741246_100000211152 [0,0,1,1,0,0|2,0,0]=4 8514 B17R1.37138 CCCN(C)CC(=O)NC1CCCCCCC1 2230a_100000747261_100000183010 [0,0,1,1,0,0|2,0,0]=4 8515 B17R1.37138 CCCN(C)CC(=O)NC1CCCCCCC1 269982a_100000747261_100000183010 [0,0,1,1,0,0|2,0,0]=4 8516 B17R1.37138 CCOC(=O)CC(C)NC1CCCCCCC1 2230a_100000211152_100009817359 [0,0,1,1,0,0|2,0,0]=4 8517 B17R1.37138 CCOC(=O)CC(C)OC1CCCCCCC1 7a_100000210054_100009817359 [0,0,1,1,0,0|2,0,0]=4 8518 B17R1.37138 CCSC(C)CC(=O)NC1CCCCCCC1 11a_100000211152_200011311441 [0,0,1,1,0,0|2,0,0]=4 8519 B17R1.37138 CCSC(C)CC(=O)NC1CCCCCCC1 1626a_100000211152_200011311441 [0,0,1,1,0,0|2,0,0]=4 8520 B17R1.37138 CCSC(C)CC(=O)NC1CCCCCCC1 240690a_100000211152_200011311441 [0,0,1,1,0,0|2,0,0]=4 8521 B17R1.37138 CCSC(C)CC(=O)NC1CCCCCCC1 527a_100000211152_200011311441 [0,0,1,1,0,0|2,0,0]=4 8522 B17R1.114932 C#CCCCCCCCC(=O)CC1(CCC1)C 1458a_100000087357_100000726658 [0,0,1,1,0,0|0,0,2]=4 8523 B17R1.114932 C=CCCCCCCCC(=O)CC1(CCC1)C 1458a_100011216160_100000726658 [0,0,1,1,0,0|0,0,2]=4 8524 B17R1.114932 CC1(CCC1)NC(=O)CCCCCCCCO 240690a_100000692455_100000015970 [0,0,1,1,0,0|2,0,0]=4 8525 B17R1.114932 CCCCC/C=C/CCC(=O)CC1(CCC1)C 1458a_200015255902_100000726658 [0,0,1,1,0,0|0,0,2]=4 8526 B17R1.114932 CCCCCC/C=C/CC(=O)CC1(CCC1)C 1458a_100020681715_100000726658 [0,0,1,1,0,0|0,0,2]=4 8527 B17R1.114932 CCCCCCCC=CC(=O)CC1(CCC1)C 1458a_200015332781_100000726658 [0,0,1,1,0,0|0,0,2]=4 8528 B17R1.114932 CCCCCCCCCC(=O)CC1(CCC1)C 1458a_100000210558_100000726658 [0,0,1,1,0,0|0,0,0]=2 8529 B17R1.114932 CCCCCCCCCC(=O)CC1(COC1)C 1458a_100000210558_100000066812 [0,0,1,1,0,0|1,0,0]=3 8530 B17R1.114932 CCCCCCCCCC(=O)NC1(CCC1)C 11a_100000692455_100000210558 [0,0,1,1,0,0|1,0,0]=3 8531 B17R1.114932 CCCCCCCCCC(=O)NC1(CCC1)C 1626a_100000692455_100000210558 [0,0,1,1,0,0|1,0,0]=3 8532 B17R1.114932 CCCCCCCCCC(=O)NC1(CCC1)C 240690a_100000692455_100000210558 [0,0,1,1,0,0|1,0,0]=3 8533 B17R1.114932 CCCCCCCCCC(=O)NC1(CCC1)C 527a_100000692455_100000210558 [0,0,1,1,0,0|1,0,0]=3 8534 B17R1.114932 CCCCCCCCCC(=O)NC1(COC1)C 11a_100000732644_100000210558 [0,0,1,1,0,0|2,0,0]=4 8535 B17R1.114932 CCCCCCCCCC(=O)NC1(COC1)C 1626a_100000732644_100000210558 [0,0,1,1,0,0|2,0,0]=4 8536 B17R1.114932 CCCCCCCCCC(=O)NC1(COC1)C 527a_100000732644_100000210558 [0,0,1,1,0,0|2,0,0]=4 8537 B17R1.114932 CCCCCCCCCN(C)CC1(CCC1)C 2230a_100000232482_100000726658 [0,0,1,1,0,0|2,0,0]=4 8538 B17R1.114932 CCCCCCCCCN(C)CC1(CCC1)C 269982a_100000232482_100000726658 [0,0,1,1,0,0|2,0,0]=4 8539 B17R1.114932 CCCCCCCCNC(=O)NC1(CCC1)C 2708a_100000229939_100000692455 [0,0,1,1,0,0|2,0,0]=4 8540 B17R1.114932 CCCCCCCCNC(=O)NC1(CCC1)C 273464a_100000229939_100000692455 [0,0,1,1,0,0|2,0,0]=4 8541 B17R1.114932 CCCCCCCCNC(=O)NC1(CCC1)C 273464a_100000692455_100000229939 [0,0,1,1,0,0|2,0,0]=4 8542 B17R1.114932 CCCCCCCCNC(=O)NC1(CCC1)C 512a_100000229939_100000692455 [0,0,1,1,0,0|2,0,0]=4 8543 B17R1.114932 CCCCCCCCNC(=O)NC1(CCC1)C 512a_100000692455_100000229939 [0,0,1,1,0,0|2,0,0]=4 8544 B17R1.114932 CCCCOCCOCC(=O)CC1(CCC1)C 1458a_100011216887_100000726658 [0,0,1,1,0,0|2,0,0]=4 8545 B17R1.165832 CCCCCCOC1CC(C1)CC(=O)OCC 7a_100010742785_100000210314 [0,0,1,1,0,0|2,0,0]=4 8546 B17R1.724 CC(CC(=O)CCCCCF)N1CCCCC1 1458a_100015187720_100000729378 [0,0,1,1,0,0|2,0,0]=4 8547 B17R1.724 CC(CC(=O)CCCCCO)N1CCCCC1 1458a_100015187720_100000746330 [0,0,1,1,0,0|2,0,0]=4 8548 B17R1.724 CCCCCCC(=O)CC(=O)C1CCCCC1 1458a_100102632555_100000241979 [0,0,1,1,0,0|1,0,1]=4 8549 B17R1.724 CCCCCCC(=O)CC(C)N1CCCCC1 1458a_100015187720_100000210757 [0,0,1,1,0,0|1,0,0]=3 8550 B17R1.724 CCCCCCC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100102632555 [0,0,1,1,0,0|1,0,0]=3 8551 B17R1.724 CCCCCCC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100102632555 [0,0,1,1,0,0|1,0,0]=3 8552 B17R1.724 CCCCCCC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100102632555 [0,0,1,1,0,0|1,0,0]=3 8553 B17R1.724 CCCCCCC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100102632555 [0,0,1,1,0,0|1,0,0]=3 8554 B17R1.724 CCCCCCC(C)NC(=O)C1CCCCC1 11a_100000210919_100000210647 [0,0,1,1,0,0|1,0,0]=3 8555 B17R1.724 CCCCCCC(C)NC(=O)C1CCCCC1 1626a_100000210919_100000210647 [0,0,1,1,0,0|1,0,0]=3 8556 B17R1.724 CCCCCCC(C)NC(=O)C1CCCCC1 240690a_100000210919_100000210647 [0,0,1,1,0,0|1,0,0]=3 8557 B17R1.724 CCCCCCC(C)NC(=O)C1CCCCC1 527a_100000210919_100000210647 [0,0,1,1,0,0|1,0,0]=3 8558 B17R1.724 CCCCCCC(C)NC(=O)C1CCCCO1 11a_100000210919_100000748299 [0,0,1,1,0,0|2,0,0]=4 8559 B17R1.724 CCCCCCC(C)NC(=O)C1CCCCO1 1626a_100000210919_100000748299 [0,0,1,1,0,0|2,0,0]=4 8560 B17R1.724 CCCCCCC(C)NC(=O)C1CCCCO1 240690a_100000210919_100000748299 [0,0,1,1,0,0|2,0,0]=4 8561 B17R1.724 CCCCCCC(C)NC(=O)C1CCCCO1 527a_100000210919_100000748299 [0,0,1,1,0,0|2,0,0]=4 8562 B17R1.724 CCCCCCC(C)NC(=O)C1CCCOC1 11a_100000210919_100000741522 [0,0,1,1,0,0|2,0,0]=4 8563 B17R1.724 CCCCCCC(C)NC(=O)C1CCCOC1 1626a_100000210919_100000741522 [0,0,1,1,0,0|2,0,0]=4 8564 B17R1.724 CCCCCCC(C)NC(=O)C1CCCOC1 240690a_100000210919_100000741522 [0,0,1,1,0,0|2,0,0]=4 8565 B17R1.724 CCCCCCC(C)NC(=O)C1CCCOC1 527a_100000210919_100000741522 [0,0,1,1,0,0|2,0,0]=4 8566 B17R1.724 CCCCCCC(C)NC(=O)C1CCOCC1 11a_100000210919_100000195482 [0,0,1,1,0,0|2,0,0]=4 8567 B17R1.724 CCCCCCC(C)NC(=O)C1CCOCC1 1626a_100000210919_100000195482 [0,0,1,1,0,0|2,0,0]=4 8568 B17R1.724 CCCCCCC(C)NC(=O)C1CCOCC1 240690a_100000210919_100000195482 [0,0,1,1,0,0|2,0,0]=4 8569 B17R1.724 CCCCCCC(C)NC(=O)C1CCOCC1 527a_100000210919_100000195482 [0,0,1,1,0,0|2,0,0]=4 8570 B17R1.724 CCCCCCC(C)NC(=O)C1CCSCC1 11a_100000210919_100000755232 [0,0,1,1,0,0|2,0,0]=4 8571 B17R1.724 CCCCCCC(C)NC(=O)C1CCSCC1 1626a_100000210919_100000755232 [0,0,1,1,0,0|2,0,0]=4 8572 B17R1.724 CCCCCCC(C)NC(=O)C1CCSCC1 240690a_100000210919_100000755232 [0,0,1,1,0,0|2,0,0]=4 8573 B17R1.724 CCCCCCC(C)NC(=O)C1CCSCC1 527a_100000210919_100000755232 [0,0,1,1,0,0|2,0,0]=4 8574 B17R1.724 CCCCCCN(C)CC(=O)C1CCCCC1 2230a_106256046315_100000241979 [0,0,1,1,0,0|1,0,0]=3 8575 B17R1.724 CCCCCCN(C)CC(=O)C1CCCCC1 269982a_106256046315_100000241979 [0,0,1,1,0,0|1,0,0]=3 8576 B17R1.724 CCCCCCN(C)CC(=O)C1CCOCC1 2230a_106256046315_100000689883 [0,0,1,1,0,0|2,0,0]=4 8577 B17R1.724 CCCCCCN(C)CC(=O)C1CCOCC1 269982a_106256046315_100000689883 [0,0,1,1,0,0|2,0,0]=4 8578 B17R1.724 CCCCCCN(C)CC(=O)N1CCCCC1 2230a_106256046315_100000183409 [0,0,1,1,0,0|2,0,0]=4 8579 B17R1.724 CCCCCCN(C)CC(=O)N1CCCCC1 2230a_200025747655_100000210314 [0,0,1,1,0,0|2,0,0]=4 8580 B17R1.724 CCCCCCN(C)CC(=O)N1CCCCC1 269982a_106256046315_100000183409 [0,0,1,1,0,0|2,0,0]=4 8581 B17R1.724 CCCCCCN(C)CC(=O)N1CCCCC1 269982a_200025747655_100000210757 [0,0,1,1,0,0|2,0,0]=4 8582 B17R1.724 CCCCCNC(=O)CC(C)N1CCCCC1 240690a_100000209983_100015187720 [0,0,1,1,0,0|2,0,0]=4 8583 B17R1.724 CCCCCNC(=O)CN(C)C1CCCCC1 2230a_100000207522_100000230301 [0,0,1,1,0,0|2,0,0]=4 8584 B17R1.724 CCCCCNC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000230301 [0,0,1,1,0,0|2,0,0]=4 8585 B17R1.724 CCCCCNC(=O)CN(C)C1CCCCC1 34a_100000207522_100000230301 [0,0,1,1,0,0|2,0,0]=4 8586 B17R1.724 CCCCCNC(=O)N[C@H](C)C1CCCCC1 2708a_100000209983_100025707633 [0,0,1,1,0,0|2,0,0]=4 8587 B17R1.724 CCCCCNC(=O)N[C@H](C)C1CCCCC1 2708a_100025707633_100000209983 [0,0,1,1,0,0|2,0,0]=4 8588 B17R1.724 CCCCCNC(=O)N[C@H](C)C1CCCCC1 273464a_100000209983_100025707633 [0,0,1,1,0,0|2,0,0]=4 8589 B17R1.724 CCCCCNC(=O)N[C@H](C)C1CCCCC1 273464a_100025707633_100000209983 [0,0,1,1,0,0|2,0,0]=4 8590 B17R1.724 CCCCCNC(=O)N[C@H](C)C1CCCCC1 512a_100000209983_100025707633 [0,0,1,1,0,0|2,0,0]=4 8591 B17R1.724 CCCCCNC(=O)N[C@H](C)C1CCCCC1 512a_100025707633_100000209983 [0,0,1,1,0,0|2,0,0]=4 8592 B17R1.724 CCCCOCC(=O)CC(C)N1CCCCC1 1458a_100015187720_100011995733 [0,0,1,1,0,0|2,0,0]=4 8593 B17R1.724 CCCCOCC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100000757543 [0,0,1,1,0,0|2,0,0]=4 8594 B17R1.724 CCCCOCC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100000757543 [0,0,1,1,0,0|2,0,0]=4 8595 B17R1.724 CCCCOCC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100000757543 [0,0,1,1,0,0|2,0,0]=4 8596 B17R1.724 CCCCOCC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100000757543 [0,0,1,1,0,0|2,0,0]=4 8597 B17R1.724 CCCCSCC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100000191162 [0,0,1,1,0,0|2,0,0]=4 8598 B17R1.724 CCCCSCC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100000191162 [0,0,1,1,0,0|2,0,0]=4 8599 B17R1.724 CCCCSCC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100000191162 [0,0,1,1,0,0|2,0,0]=4 8600 B17R1.724 CCCCSCC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100000191162 [0,0,1,1,0,0|2,0,0]=4 8601 B17R1.724 CCCOCCC(=O)CC(C)N1CCCCC1 1458a_100015187720_100011215938 [0,0,1,1,0,0|2,0,0]=4 8602 B17R1.724 CCOCCCC(=O)CC(C)N1CCCCC1 1458a_100015187720_100012232248 [0,0,1,1,0,0|2,0,0]=4 8603 B17R1.724 CN(CCCCCO)CC(=O)C1CCCCC1 2230a_100000722520_100000241979 [0,0,1,1,0,0|2,0,0]=4 8604 B17R1.724 CN(CCCCCO)CC(=O)C1CCCCC1 269982a_100000722520_100000241979 [0,0,1,1,0,0|2,0,0]=4 8605 B17R1.724 COCCCCC(=O)CC(C)N1CCCCC1 1458a_100015187720_100000755781 [0,0,1,1,0,0|2,0,0]=4 8606 B17R1.724 C[C@@H](NC(=O)CCCCCO)C1CCCCC1 240690a_100025707633_100102619762 [0,0,1,1,0,0|2,0,0]=4 8607 B17R1.5103 CCCCCCC(=O)NC(C)CN1CCCC1 11a_100000742930_100102632555 [0,0,1,1,0,0|2,0,0]=4 8608 B17R1.5103 CCCCCCC(=O)NC(C)CN1CCCC1 1626a_100000742930_100102632555 [0,0,1,1,0,0|2,0,0]=4 8609 B17R1.5103 CCCCCCC(=O)NC(C)CN1CCCC1 240690a_100000742930_100102632555 [0,0,1,1,0,0|2,0,0]=4 8610 B17R1.5103 CCCCCCC(C)NC(=O)CC1CCCC1 11a_100000210919_100000210891 [0,0,1,1,0,0|1,0,0]=3 8611 B17R1.5103 CCCCCCC(C)NC(=O)CC1CCCC1 1626a_100000210919_100000210891 [0,0,1,1,0,0|1,0,0]=3 8612 B17R1.5103 CCCCCCC(C)NC(=O)CC1CCCC1 240690a_100000210919_100000210891 [0,0,1,1,0,0|1,0,0]=3 8613 B17R1.5103 CCCCCCC(C)NC(=O)CC1CCCC1 527a_100000210919_100000210891 [0,0,1,1,0,0|1,0,0]=3 8614 B17R1.5103 CCCCCCC(C)NC(=O)CC1CCOC1 11a_100000210919_100011218419 [0,0,1,1,0,0|2,0,0]=4 8615 B17R1.5103 CCCCCCC(C)NC(=O)CC1CCOC1 1626a_100000210919_100011218419 [0,0,1,1,0,0|2,0,0]=4 8616 B17R1.5103 CCCCCCC(C)NC(=O)CC1CCOC1 240690a_100000210919_100011218419 [0,0,1,1,0,0|2,0,0]=4 8617 B17R1.5103 CCCCCCC(C)NC(=O)CC1CCOC1 527a_100000210919_100011218419 [0,0,1,1,0,0|2,0,0]=4 8618 B17R1.5103 CCCCCCC(C)NC(=O)CN1CCCC1 2230a_100000188435_100000230341 [0,0,1,1,0,0|2,0,0]=4 8619 B17R1.5103 CCCCCCC(C)NC(=O)CN1CCCC1 240690a_100000210919_100000740243 [0,0,1,1,0,0|2,0,0]=4 8620 B17R1.5103 CCCCCCC(C)NC(=O)CN1CCCC1 269982a_100000188435_100000230341 [0,0,1,1,0,0|2,0,0]=4 8621 B17R1.5103 CCCCCCC(C)NC(=O)CN1CCCC1 527a_100000210919_100000740243 [0,0,1,1,0,0|2,0,0]=4 8622 B17R1.5103 CCCCCCC(C)NC(=O)NC1CCCC1 2708a_100000210919_100000211070 [0,0,1,1,0,0|2,0,0]=4 8623 B17R1.5103 CCCCCCC(C)NC(=O)NC1CCCC1 2708a_100000211070_100000210919 [0,0,1,1,0,0|2,0,0]=4 8624 B17R1.5103 CCCCCCC(C)NC(=O)NC1CCCC1 273464a_100000210919_100000211070 [0,0,1,1,0,0|2,0,0]=4 8625 B17R1.5103 CCCCCCC(C)NC(=O)NC1CCCC1 273464a_100000211070_100000210919 [0,0,1,1,0,0|2,0,0]=4 8626 B17R1.5103 CCCCCCC(C)NC(=O)NC1CCCC1 512a_100000210919_100000211070 [0,0,1,1,0,0|2,0,0]=4 8627 B17R1.5103 CCCCCCC(C)NC(=O)NC1CCCC1 512a_100000211070_100000210919 [0,0,1,1,0,0|2,0,0]=4 8628 B17R1.5103 CCCCCCN(C)CC(=O)NC1CCCC1 2230a_106256046315_100000183512 [0,0,1,1,0,0|2,0,0]=4 8629 B17R1.5103 CCCCCCN(C)CC(=O)NC1CCCC1 269982a_106256046315_100000183512 [0,0,1,1,0,0|2,0,0]=4 8630 B17R1.6509 CCCCCCC(=O)N[C@@H]1CCCN(C1)CC 11a_100025775482_100102632555 [0,0,1,1,0,0|2,0,0]=4 8631 B17R1.6509 CCCCCCC(=O)N[C@@H]1CCCN(C1)CC 1626a_100025775482_100102632555 [0,0,1,1,0,0|2,0,0]=4 8632 B17R1.6509 CCCCCCC(=O)N[C@@H]1CCCN(C1)CC 240690a_100025775482_100102632555 [0,0,1,1,0,0|2,0,0]=4 8633 B17R1.6509 CCCCCCC(=O)N[C@@H]1CCCN(C1)CC 527a_100025775482_100102632555 [0,0,1,1,0,0|2,0,0]=4 8634 B17R1.17279 CCCCCCC(C)NC(=O)C1CCCC1C 11a_100000210919_100000690547 [0,0,1,1,0,0|1,0,0]=3 8635 B17R1.17279 CCCCCCC(C)NC(=O)C1CCCC1C 1626a_100000210919_100000690547 [0,0,1,1,0,0|1,0,0]=3 8636 B17R1.17279 CCCCCCC(C)NC(=O)C1CCCC1C 240690a_100000210919_100000690547 [0,0,1,1,0,0|1,0,0]=3 8637 B17R1.17279 CCCCCCC(C)NC(=O)C1CCCC1C 527a_100000210919_100000690547 [0,0,1,1,0,0|1,0,0]=3 8638 B17R1.17279 CCCCCCC(C)NC(=O)N1CCC[C@@H]1C 2708a_100000210919_100020605311 [0,0,1,1,0,0|2,0,0]=4 8639 B17R1.17279 CCCCCCC(C)NC(=O)N1CCC[C@@H]1C 273464a_100000210919_100020605311 [0,0,1,1,0,0|2,0,0]=4 8640 B17R1.17279 CCCCCCC(C)NC(=O)N1CCC[C@H]1C 2708a_100000210919_100015189458 [0,0,1,1,0,0|2,0,0]=4 8641 B17R1.17279 CCCCCCC(C)NC(=O)N1CCC[C@H]1C 273464a_100000210919_100015189458 [0,0,1,1,0,0|2,0,0]=4 8642 B17R1.17279 CCCCCCC(C)NC(=O)[C@@H]1CCCN1C 11a_100000210919_100009816429 [0,0,1,1,0,0|2,0,0]=4 8643 B17R1.17279 CCCCCCC(C)NC(=O)[C@@H]1CCCN1C 240690a_100000210919_100009816429 [0,0,1,1,0,0|2,0,0]=4 8644 B17R1.17279 CCCCCCC(C)NC(=O)[C@@H]1CCCN1C 527a_100000210919_100009816429 [0,0,1,1,0,0|2,0,0]=4 8645 B17R1.17282 CCCCCCC(C)NC(=O)CNC1CCC1 2230a_100000749019_100000230341 [0,0,1,1,0,0|2,0,0]=4 8646 B17R1.17282 CCCCCCC(C)NC(=O)CNC1CCC1 34a_100000749019_100000230341 [0,0,1,1,0,0|2,0,0]=4 8647 B17R1.17282 CCCCCCC(C)NC(=O)COC1CCC1 34a_100000748187_100000230341 [0,0,1,1,0,0|2,0,0]=4 8648 B17R1.17282 CCCCCCC(C)NC(=O)CSC1CCC1 62a_100000230341_100000749161 [0,0,1,1,0,0|2,0,0]=4 8649 B17R1.17282 CCCCCCC(C)NC(=O)NCC1CCC1 2708a_100000210919_100000738700 [0,0,1,1,0,0|2,0,0]=4 8650 B17R1.17282 CCCCCCC(C)NC(=O)NCC1CCC1 2708a_100000738700_100000210919 [0,0,1,1,0,0|2,0,0]=4 8651 B17R1.17282 CCCCCCC(C)NC(=O)NCC1CCC1 273464a_100000210919_100000738700 [0,0,1,1,0,0|2,0,0]=4 8652 B17R1.17282 CCCCCCC(C)NC(=O)NCC1CCC1 273464a_100000738700_100000210919 [0,0,1,1,0,0|2,0,0]=4 8653 B17R1.17282 CCCCCCC(C)NC(=O)NCC1CCC1 512a_100000210919_100000738700 [0,0,1,1,0,0|2,0,0]=4 8654 B17R1.17282 CCCCCCC(C)NC(=O)NCC1CCC1 512a_100000738700_100000210919 [0,0,1,1,0,0|2,0,0]=4 8655 B17R1.17283 CCCCCCC(C)NC(=O)CNCC1CC1 2230a_100000735609_100000230341 [0,0,1,1,0,0|2,0,0]=4 8656 B17R1.17283 CCCCCCC(C)NC(=O)CNCC1CC1 34a_100000735609_100000230341 [0,0,1,1,0,0|2,0,0]=4 8657 B17R1.17283 CCCCCCC(C)NC(=O)COCC1CC1 34a_100000211283_100000230341 [0,0,1,1,0,0|2,0,0]=4 8658 B17R1.17283 CCCCCCC(C)NC(=O)CSCC1CC1 11a_100000210919_200011316215 [0,0,1,1,0,0|2,0,0]=4 8659 B17R1.17283 CCCCCCC(C)NC(=O)CSCC1CC1 1626a_100000210919_200011316215 [0,0,1,1,0,0|2,0,0]=4 8660 B17R1.17283 CCCCCCC(C)NC(=O)CSCC1CC1 240690a_100000210919_200011316215 [0,0,1,1,0,0|2,0,0]=4 8661 B17R1.17283 CCCCCCC(C)NC(=O)CSCC1CC1 527a_100000210919_200011316215 [0,0,1,1,0,0|2,0,0]=4 8662 B17R1.17283 CCCCCCC(C)NC(=O)CSCC1CC1 62a_100000230341_100000742324 [0,0,1,1,0,0|2,0,0]=4 8663 B17R1.17283 CCCCCCC(C)NC(=O)CSCC1CC1 62a_100000756562_100000230341 [0,0,1,1,0,0|2,0,0]=4 8664 B17R1.17283 CCCCCCC(C)NC(=O)NCCC1CC1 2708a_100000210919_100000764129 [0,0,1,1,0,0|2,0,0]=4 8665 B17R1.17283 CCCCCCC(C)NC(=O)NCCC1CC1 2708a_100000764129_100000210919 [0,0,1,1,0,0|2,0,0]=4 8666 B17R1.17283 CCCCCCC(C)NC(=O)NCCC1CC1 273464a_100000210919_100000764129 [0,0,1,1,0,0|2,0,0]=4 8667 B17R1.17283 CCCCCCC(C)NC(=O)NCCC1CC1 273464a_100000764129_100000210919 [0,0,1,1,0,0|2,0,0]=4 8668 B17R1.17283 CCCCCCC(C)NC(=O)NCCC1CC1 512a_100000210919_100000764129 [0,0,1,1,0,0|2,0,0]=4 8669 B17R1.17283 CCCCCCC(C)NC(=O)NCCC1CC1 512a_100000764129_100000210919 [0,0,1,1,0,0|2,0,0]=4 8670 B17R1.40332 CCCCCCC(C)NC(=O)CN1CCC1C 269982a_100000755817_100000230341 [0,0,1,1,0,0|2,0,0]=4 8671 B17R1.40332 CCCCCCC(C)NC(=O)CN1CCC1C 34a_100000755817_100000230341 [0,0,1,1,0,0|2,0,0]=4 8672 B17R1.40448 CCCCCCC(=O)NC1CCCCCCC1 11a_100000211152_100102632555 [0,0,1,1,0,0|1,0,0]=3 8673 B17R1.40448 CCCCCCC(=O)NC1CCCCCCC1 1626a_100000211152_100102632555 [0,0,1,1,0,0|1,0,0]=3 8674 B17R1.40448 CCCCCCC(=O)NC1CCCCCCC1 240690a_100000211152_100102632555 [0,0,1,1,0,0|1,0,0]=3 8675 B17R1.40448 CCCCCCC(=O)NC1CCCCCCC1 527a_100000211152_100102632555 [0,0,1,1,0,0|1,0,0]=3 8676 B17R1.40448 CCCCCNC(=O)CN1CCCCCCC1 2230a_100000211400_100000230301 [0,0,1,1,0,0|2,0,0]=4 8677 B17R1.40448 CCCCCNC(=O)CN1CCCCCCC1 269982a_100000211400_100000230301 [0,0,1,1,0,0|2,0,0]=4 8678 B17R1.40448 CCCCCNC(=O)CN1CCCCCCC1 34a_100000211400_100000230301 [0,0,1,1,0,0|2,0,0]=4 8679 B17R1.40448 CCCCCNC(=O)NC1CCCCCCC1 2708a_100000209983_100000211152 [0,0,1,1,0,0|2,0,0]=4 8680 B17R1.40448 CCCCCNC(=O)NC1CCCCCCC1 2708a_100000211152_100000209983 [0,0,1,1,0,0|2,0,0]=4 8681 B17R1.40448 CCCCCNC(=O)NC1CCCCCCC1 273464a_100000209983_100000211152 [0,0,1,1,0,0|2,0,0]=4 8682 B17R1.40448 CCCCCNC(=O)NC1CCCCCCC1 273464a_100000211152_100000209983 [0,0,1,1,0,0|2,0,0]=4 8683 B17R1.40448 CCCCCNC(=O)NC1CCCCCCC1 512a_100000209983_100000211152 [0,0,1,1,0,0|2,0,0]=4 8684 B17R1.40448 CCCCCNC(=O)NC1CCCCCCC1 512a_100000211152_100000209983 [0,0,1,1,0,0|2,0,0]=4 8685 B17R1.40448 CCCCNCC(=O)NC1CCCCCCC1 2230a_100000102301_100000183010 [0,0,1,1,0,0|2,0,0]=4 8686 B17R1.40448 CCCCNCC(=O)NC1CCCCCCC1 7a_106832991798_100000183010 [0,0,1,1,0,0|2,0,0]=4 8687 B17R1.40448 CCCCOCC(=O)NC1CCCCCCC1 11a_100000211152_100000757543 [0,0,1,1,0,0|2,0,0]=4 8688 B17R1.40448 CCCCOCC(=O)NC1CCCCCCC1 1626a_100000211152_100000757543 [0,0,1,1,0,0|2,0,0]=4 8689 B17R1.40448 CCCCOCC(=O)NC1CCCCCCC1 240690a_100000211152_100000757543 [0,0,1,1,0,0|2,0,0]=4 8690 B17R1.40448 CCCCOCC(=O)NC1CCCCCCC1 34a_100000210227_100000183010 [0,0,1,1,0,0|2,0,0]=4 8691 B17R1.40448 CCCCOCC(=O)NC1CCCCCCC1 527a_100000211152_100000757543 [0,0,1,1,0,0|2,0,0]=4 8692 B17R1.40448 CCCCOCC(=O)NC1CCCCCCC1 7a_100000210227_100000183010 [0,0,1,1,0,0|2,0,0]=4 8693 B17R1.40448 CCCCSCC(=O)NC1CCCCCCC1 11a_100000211152_100000191162 [0,0,1,1,0,0|2,0,0]=4 8694 B17R1.40448 CCCCSCC(=O)NC1CCCCCCC1 1626a_100000211152_100000191162 [0,0,1,1,0,0|2,0,0]=4 8695 B17R1.40448 CCCCSCC(=O)NC1CCCCCCC1 240690a_100000211152_100000191162 [0,0,1,1,0,0|2,0,0]=4 8696 B17R1.40448 CCCCSCC(=O)NC1CCCCCCC1 527a_100000211152_100000191162 [0,0,1,1,0,0|2,0,0]=4 8697 B17R1.40448 CCCCSCC(=O)NC1CCCCCCC1 62a_100000183010_100000210210 [0,0,1,1,0,0|2,0,0]=4 8698 B17R1.40448 CCCCSCC(=O)NC1CCCCCCC1 62a_100000210211_100000183010 [0,0,1,1,0,0|2,0,0]=4 8699 B17R1.40448 O=C(CCCCCO)NC1CCCCCCC1 240690a_100000211152_100102619762 [0,0,1,1,0,0|2,0,0]=4 8700 B17R1.48880 CC1(CCCCCC1)NC(=O)CCCCCO 240690a_100000704638_100102619762 [0,0,1,1,0,0|2,0,0]=4 8701 B17R1.48880 CCCCCCC(=O)NC1(CCCCCC1)C 11a_100000704638_100102632555 [0,0,1,1,0,0|1,0,0]=3 8702 B17R1.48880 CCCCCCC(=O)NC1(CCCCCC1)C 1626a_100000704638_100102632555 [0,0,1,1,0,0|1,0,0]=3 8703 B17R1.48880 CCCCCCC(=O)NC1(CCCCCC1)C 240690a_100000704638_100102632555 [0,0,1,1,0,0|1,0,0]=3 8704 B17R1.48880 CCCCCCC(=O)NC1(CCCCCC1)C 527a_100000704638_100102632555 [0,0,1,1,0,0|1,0,0]=3 8705 B17R1.48880 CCCCCNC(=O)NC1(CCCCCC1)C 2708a_100000209983_100000704638 [0,0,1,1,0,0|2,0,0]=4 8706 B17R1.48880 CCCCCNC(=O)NC1(CCCCCC1)C 273464a_100000209983_100000704638 [0,0,1,1,0,0|2,0,0]=4 8707 B17R1.48880 CCCCCNC(=O)NC1(CCCCCC1)C 273464a_100000704638_100000209983 [0,0,1,1,0,0|2,0,0]=4 8708 B17R1.48880 CCCCCNC(=O)NC1(CCCCCC1)C 512a_100000704638_100000209983 [0,0,1,1,0,0|2,0,0]=4 8709 B17R1.48880 CCCCOCC(=O)NC1(CCCCCC1)C 11a_100000704638_100000757543 [0,0,1,1,0,0|2,0,0]=4 8710 B17R1.48880 CCCCOCC(=O)NC1(CCCCCC1)C 1626a_100000704638_100000757543 [0,0,1,1,0,0|2,0,0]=4 8711 B17R1.48880 CCCCOCC(=O)NC1(CCCCCC1)C 240690a_100000704638_100000757543 [0,0,1,1,0,0|2,0,0]=4 8712 B17R1.48880 CCCCOCC(=O)NC1(CCCCCC1)C 527a_100000704638_100000757543 [0,0,1,1,0,0|2,0,0]=4 8713 B17R1.48880 CCCCSCC(=O)NC1(CCCCCC1)C 11a_100000704638_100000191162 [0,0,1,1,0,0|2,0,0]=4 8714 B17R1.48880 CCCCSCC(=O)NC1(CCCCCC1)C 1626a_100000704638_100000191162 [0,0,1,1,0,0|2,0,0]=4 8715 B17R1.48880 CCCCSCC(=O)NC1(CCCCCC1)C 240690a_100000704638_100000191162 [0,0,1,1,0,0|2,0,0]=4 8716 B17R1.48880 CCCCSCC(=O)NC1(CCCCCC1)C 527a_100000704638_100000191162 [0,0,1,1,0,0|2,0,0]=4 8717 B17R1.321 CCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210757 [0,0,1,1,0,0|2,0,0]=4 8718 B17R1.321 CN(C)CCC1CCCCN1CCCCC=O 269982a_100000243220_100000139335 [0,0,1,1,0,0|2,0,0]=4 8719 B17R1.339 CCCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000189428 [0,0,1,1,0,0|2,0,0]=4 8720 B17R1.360 CCCC1CCCC1NCCCCNC(=O)C 269862a_200011368371_100000723119 [0,0,1,1,0,0|2,0,0]=4 8721 B17R1.360 CCCC1CCCC1NCCCCNC(=O)C 270004a_200011368371_100000723119 [0,0,1,1,0,0|2,0,0]=4 8722 B17R1.360 CCCN1CCCC1COCCCCC(=O)C 34a_200000694710_100009817362 [0,0,1,1,0,0|2,0,0]=4 8723 B17R1.360 CCCN1CCCC1COCCCCC(=O)C 7a_200000694710_100000735457 [0,0,1,1,0,0|2,0,0]=4 8724 B17R1.446 CC(C)CCCCCNC1CCCCNC1=O 2230a_100000698827_100000210682 [0,0,1,1,0,0|2,0,0]=4 8725 B17R1.446 CC(C)CCCCCNC1CCCCNC1=O 2230a_100011290863_100000735217 [0,0,1,1,0,0|2,0,0]=4 8726 B17R1.446 CC(C)CCCCCNC1CCCCNC1=O 34a_100000698827_100000210682 [0,0,1,1,0,0|2,0,0]=4 8727 B17R1.446 CC(C)CCCCCOC1CCCCCC1=O 7a_100011995859_100000243696 [0,0,1,1,0,0|1,0,0]=3 8728 B17R1.446 CC(C)CCCCCOC1CCCCNC1=O 7a_100011995859_100000735217 [0,0,1,1,0,0|2,0,0]=4 8729 B17R1.446 CC(C)CCCCCSC1CCCCCC1=O 62a_100000210682_100000243696 [0,0,1,1,0,0|1,0,0]=3 8730 B17R1.446 CC(C)CCCCCSC1CCCCCC1=O 62a_100000243696_100000210682 [0,0,1,1,0,0|1,0,0]=3 8731 B17R1.446 CC(C)CCCCCSC1CCCCNC1=O 62a_100000210682_100000735217 [0,0,1,1,0,0|2,0,0]=4 8732 B17R1.446 CC(C)CCCCCSC1CCCCNC1=O 62a_100000735217_100000210682 [0,0,1,1,0,0|2,0,0]=4 8733 B17R1.446 CC(C)CCNCCCN1CCCCCC1=O 2230a_100000195386_100000210312 [0,0,1,1,0,0|2,0,0]=4 8734 B17R1.446 CC(C)CCNCCCN1CCCCCC1=O 269862a_100000195386_100000185833 [0,0,1,1,0,0|2,0,0]=4 8735 B17R1.446 CC(C)CCNCCCN1CCCCCC1=O 34a_100000195386_100000210312 [0,0,1,1,0,0|2,0,0]=4 8736 B17R1.451 CC(=O)CCCCNCCN1CCCCC1C 34a_100000739827_100009817362 [0,0,1,1,0,0|2,0,0]=4 8737 B17R1.451 CC(=O)CCCCOCCN1CCCCC1C 34a_100011305533_100009817362 [0,0,1,1,0,0|2,0,0]=4 8738 B17R1.451 CC(=O)CCCCSCCC1CCCCN1C 62a_100000211948_100000735457 [0,0,1,1,0,0|2,0,0]=4 8739 B17R1.451 CC(=O)CCCCSCCC1CCCCN1C 62a_100000735457_100000211948 [0,0,1,1,0,0|2,0,0]=4 8740 B17R1.451 CC(=O)CCCNCCCN1CCCCC1C 34a_100000212276_100000685027 [0,0,1,1,0,0|2,0,0]=4 8741 B17R1.451 CC(=O)CCCOCCCN1CCCCC1C 34a_100000213889_100000685027 [0,0,1,1,0,0|2,0,0]=4 8742 B17R1.451 CC(=O)CCCOCCCN1CCCCC1C 7a_100000213889_100011215641 [0,0,1,1,0,0|2,0,0]=4 8743 B17R1.451 CC(=O)NCCCCCNC1CCCCC1C 269862a_200012022750_100000210921 [0,0,1,1,0,0|2,0,0]=4 8744 B17R1.451 CC(=O)NCCCCCNC1CCCCC1C 270004a_200012022750_100000210921 [0,0,1,1,0,0|2,0,0]=4 8745 B17R1.451 CC(=O)OCCCCCNC1CCCCC1C 2230a_100000211402_100009813381 [0,0,1,1,0,0|2,0,0]=4 8746 B17R1.451 CC(=O)OCCCCCNC1CCCCC1C 34a_100000211402_100000033007 [0,0,1,1,0,0|2,0,0]=4 8747 B17R1.451 CC(=O)OCCCCCOC1CCCCC1C 34a_100000211207_100000033007 [0,0,1,1,0,0|2,0,0]=4 8748 B17R1.451 CC(=O)OCCCCCOC1CCCCC1C 7a_100000211207_100000033007 [0,0,1,1,0,0|2,0,0]=4 8749 B17R1.451 CC(C)CCCCCCNC1CCCCC1=O 34a_100000211014_100000754470 [0,0,1,1,0,0|1,0,0]=3 8750 B17R1.451 CC(C)CCCCCCNC1CCCNC1=O 2230a_100000211014_100000687798 [0,0,1,1,0,0|2,0,0]=4 8751 B17R1.451 CC(C)CCCCCCNC1CCCNC1=O 34a_100000211014_100000687798 [0,0,1,1,0,0|2,0,0]=4 8752 B17R1.451 CC(C)CCCCCCNC1COCCC1=O 34a_100000211014_100012180262 [0,0,1,1,0,0|2,0,0]=4 8753 B17R1.451 CC(C)CCCCCOCC1CCCCC1=O 34a_100009861125_100000210682 [0,0,1,1,0,0|1,0,0]=3 8754 B17R1.451 CC(C)CCCCCOCC1CCCCC1=O 7a_100009861125_100000210682 [0,0,1,1,0,0|1,0,0]=3 8755 B17R1.451 CC(C)CCCCNCCN1CCCCC1=O 2230a_100160573077_100011216152 [0,0,1,1,0,0|2,0,0]=4 8756 B17R1.451 CC(C)CCCCNCCN1CCCCC1=O 34a_100160573077_100011216152 [0,0,1,1,0,0|2,0,0]=4 8757 B17R1.451 CC(C)NCCCCCOC1CCCCC1=O 34a_100011629493_100000754470 [0,0,1,1,0,0|2,0,0]=4 8758 B17R1.747 CCCC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100011218038 [0,0,1,1,0,0|2,0,0]=4 8759 B17R1.747 CCCC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100011218038 [0,0,1,1,0,0|2,0,0]=4 8760 B17R1.747 CCCC1CCCCC1NCCCNC(=O)C 269862a_100000736810_100011218038 [0,0,1,1,0,0|2,0,0]=4 8761 B17R1.747 CCCC1CCCCC1NCCCNC(=O)C 270004a_100000736810_100011218038 [0,0,1,1,0,0|2,0,0]=4 8762 B17R1.747 CCCC1CCCCC1OCCCCC(=O)C 34a_100011217265_100009817362 [0,0,1,1,0,0|1,0,0]=3 8763 B17R1.747 CCCC1CCCCC1OCCCCC(=O)C 7a_100011217265_100000735457 [0,0,1,1,0,0|1,0,0]=3 8764 B17R1.747 CCCC1CCCCC1OCCCOC(=O)C 34a_100011217265_100000042594 [0,0,1,1,0,0|2,0,0]=4 8765 B17R1.747 CCCC1CCCCC1OCCCOC(=O)C 7a_100011217265_100000042594 [0,0,1,1,0,0|2,0,0]=4 8766 B17R1.747 CCCC1CCCCC1OCCCSC(=O)C 34a_100011217265_100000038929 [0,0,1,1,0,0|2,0,0]=4 8767 B17R1.747 CCCC1CCCCC1OCCCSC(=O)C 7a_100011217265_100000038929 [0,0,1,1,0,0|2,0,0]=4 8768 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 2230a_100000701414_100009817443 [0,0,1,1,0,0|2,0,0]=4 8769 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 269982a_100000701414_100009817443 [0,0,1,1,0,0|2,0,0]=4 8770 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 34a_100000701414_100009817443 [0,0,1,1,0,0|2,0,0]=4 8771 B17R1.747 CCCC1CCCCN1CCCCOC(=O)C 269982a_100000701414_100000033659 [0,0,1,1,0,0|2,0,0]=4 8772 B17R1.747 CCCC1CCCCN1CCCCOC(=O)C 34a_100000701414_100000033659 [0,0,1,1,0,0|2,0,0]=4 8773 B17R1.747 CCCC1CCCCN1CCCCSC(=O)C 2230a_100000701414_200010402107 [0,0,1,1,0,0|2,0,0]=4 8774 B17R1.747 CCCC1CCCCN1CCCCSC(=O)C 269982a_100000701414_200010402107 [0,0,1,1,0,0|2,0,0]=4 8775 B17R1.747 CCCC1CCCCN1CCCCSC(=O)C 34a_100000701414_200010402107 [0,0,1,1,0,0|2,0,0]=4 8776 B17R1.1241 C=CCCCCCCCCCN1CC[C@H](C1)C 2230a_100016987628_100009814027 [0,0,1,1,0,0|2,0,0]=4 8777 B17R1.1241 C=CCCCCCCCCCN1CC[C@H](C1)C 269982a_100016987628_100009814027 [0,0,1,1,0,0|2,0,0]=4 8778 B17R1.1241 C=CCCCCCCCCCN1CC[C@H](C1)C 34a_100016987628_100009814027 [0,0,1,1,0,0|2,0,0]=4 8779 B17R1.1241 C=CCCCCCCCCOC1CCC(C1)C 34a_100000698185_100011933949 [0,0,1,1,0,0|2,0,0]=4 8780 B17R1.1241 CCCCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011215454 [0,0,1,1,0,0|2,0,0]=4 8781 B17R1.1241 CCCCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210320 [0,0,1,1,0,0|2,0,0]=4 8782 B17R1.1241 CCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210320 [0,0,1,1,0,0|1,0,0]=3 8783 B17R1.1241 CCCCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210320 [0,0,1,1,0,0|2,0,0]=4 8784 B17R1.1241 CCCCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100011214924 [0,0,1,1,0,0|2,0,0]=4 8785 B17R1.1241 CCCCCCCCCNCC1CNC(=O)C1 34a_100016993742_100011214924 [0,0,1,1,0,0|2,0,0]=4 8786 B17R1.1241 CCCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000212291_100015189358 [0,0,1,1,0,0|2,0,0]=4 8787 B17R1.1241 CCCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011214924 [0,0,1,1,0,0|2,0,0]=4 8788 B17R1.1241 CCCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011214924 [0,0,1,1,0,0|2,0,0]=4 8789 B17R1.1241 CCCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100011214924 [0,0,1,1,0,0|2,0,0]=4 8790 B17R1.1241 CCCCCCCCCOCC1CNC(=O)C1 34a_100016041077_100011214924 [0,0,1,1,0,0|2,0,0]=4 8791 B17R1.1241 CCCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210712_100015189358 [0,0,1,1,0,0|2,0,0]=4 8792 B17R1.1241 CCCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210670 [0,0,1,1,0,0|2,0,0]=4 8793 B17R1.1241 O=C1CCC(C1)OCCCCCCCCCO 34a_100012614533_100009813782 [0,0,1,1,0,0|2,0,0]=4 8794 B17R1.1294 CC(=O)CCCCN1CCCCC1CCCO 269982a_100011934581_100000735457 [0,0,1,1,0,0|2,0,0]=4 8795 B17R1.1294 CC(=O)CCCCN1CCCCC1CCCO 34a_100011934581_100009817362 [0,0,1,1,0,0|2,0,0]=4 8796 B17R1.1294 COCCC1CCCCN1CCCCC(=O)C 269982a_100015186528_100000735457 [0,0,1,1,0,0|2,0,0]=4 8797 B17R1.1294 COCCC1CCCCN1CCCCC(=O)C 34a_100015186528_100009817362 [0,0,1,1,0,0|2,0,0]=4 8798 B17R1.1307 CCCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000750825 [0,0,1,1,0,0|2,0,0]=4 8799 B17R1.1307 CCCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000750825 [0,0,1,1,0,0|2,0,0]=4 8800 B17R1.1307 CCCCC1CCCC1NCCCNC(=O)C 269862a_100000736810_100000750825 [0,0,1,1,0,0|2,0,0]=4 8801 B17R1.1307 CCCCC1CCCC1NCCCNC(=O)C 270004a_100000736810_100000750825 [0,0,1,1,0,0|2,0,0]=4 8802 B17R1.1311 CC(=O)CCCCNCCCC1CCCCC1 34a_100011211642_100009817362 [0,0,1,1,0,0|1,0,0]=3 8803 B17R1.1311 CC(=O)CCCCNCCOC1CCCCC1 34a_100015206981_100009817362 [0,0,1,1,0,0|2,0,0]=4 8804 B17R1.1311 CC(=O)CCCCOCCCC1CCCCC1 34a_100000198086_100009817362 [0,0,1,1,0,0|1,0,0]=3 8805 B17R1.1311 CC(=O)CCCCOCCCC1CCCCC1 7a_100000198086_100000735457 [0,0,1,1,0,0|1,0,0]=3 8806 B17R1.1311 CC(=O)CCCCOCCCC1CCCCN1 34a_100011934581_100009817362 [0,0,1,1,0,0|2,0,0]=4 8807 B17R1.1311 CC(=O)CCCCOCCCC1CCCNC1 34a_100150707839_100009817362 [0,0,1,1,0,0|2,0,0]=4 8808 B17R1.1311 CC(=O)CCCCOCCCC1CCNCC1 34a_100016988962_100009817362 [0,0,1,1,0,0|2,0,0]=4 8809 B17R1.1311 CC(=O)CCCCOCCCN1CCCCC1 34a_100000212458_100009817362 [0,0,1,1,0,0|2,0,0]=4 8810 B17R1.1311 CC(=O)CCCCOCCNC1CCCCC1 34a_100000200466_100009817362 [0,0,1,1,0,0|2,0,0]=4 8811 B17R1.1311 CC(=O)CCCCOCCOC1CCCCC1 34a_100011249652_100009817362 [0,0,1,1,0,0|2,0,0]=4 8812 B17R1.1311 CC(=O)CCCCOCCOC1CCCCC1 7a_100011249652_100000735457 [0,0,1,1,0,0|2,0,0]=4 8813 B17R1.1311 CC(=O)CCCCSCCCC1CCCCC1 62a_100000735457_100011713725 [0,0,1,1,0,0|1,0,0]=3 8814 B17R1.1311 CC(=O)CCCCSCCCC1CCCCC1 62a_100011713725_100000735457 [0,0,1,1,0,0|1,0,0]=3 8815 B17R1.1311 CC(=O)CCCCSCCCN1CCCCC1 62a_100000735457_100000007876 [0,0,1,1,0,0|2,0,0]=4 8816 B17R1.1311 CC(=O)CCCCSCCCN1CCCCC1 62a_100132302099_100000735457 [0,0,1,1,0,0|2,0,0]=4 8817 B17R1.1311 CC(=O)CCCCSCCOC1CCCCC1 62a_100000735457_100011211530 [0,0,1,1,0,0|2,0,0]=4 8818 B17R1.1311 CC(=O)CCCCSCCOC1CCCCC1 62a_100011211530_100000735457 [0,0,1,1,0,0|2,0,0]=4 8819 B17R1.1311 CC(=O)CCCNCCCOC1CCCCC1 34a_100000205933_100000685027 [0,0,1,1,0,0|2,0,0]=4 8820 B17R1.1311 CC(=O)CCCOCCCCC1CCCCC1 34a_100011215267_100000685027 [0,0,1,1,0,0|1,0,0]=3 8821 B17R1.1311 CC(=O)CCCOCCCCC1CCCCC1 7a_100011215267_100011215641 [0,0,1,1,0,0|1,0,0]=3 8822 B17R1.1311 CC(=O)CCCOCCCCC1CCNCC1 34a_100016989291_100000685027 [0,0,1,1,0,0|2,0,0]=4 8823 B17R1.1311 CC(=O)CCOCCCCCN1CCCCC1 7a_100011216611_100000053229 [0,0,1,1,0,0|2,0,0]=4 8824 B17R1.1311 CC(=O)NCCCCCCNC1CCCCC1 270004a_200011996284_100000210434 [0,0,1,1,0,0|2,0,0]=4 8825 B17R1.1311 CC(=O)NCCCCCCNC1CCCCC1 34a_200011996284_100000210327 [0,0,1,1,0,0|2,0,0]=4 8826 B17R1.1311 CC(=O)NCCCCCNCC1CCCCC1 2230a_200012022750_100000211423 [0,0,1,1,0,0|2,0,0]=4 8827 B17R1.1311 CC(=O)NCCCCCNCC1CCCCC1 269862a_200012022750_100000211278 [0,0,1,1,0,0|2,0,0]=4 8828 B17R1.1311 CC(=O)NCCCCCNCC1CCCCC1 34a_200012022750_100000211423 [0,0,1,1,0,0|2,0,0]=4 8829 B17R1.1311 CC(=O)NCCCCNCCC1CCCCC1 2230a_200011368371_100012355289 [0,0,1,1,0,0|2,0,0]=4 8830 B17R1.1311 CC(=O)NCCCCNCCC1CCCCC1 270004a_200011368371_100011713444 [0,0,1,1,0,0|2,0,0]=4 8831 B17R1.1311 CC(=O)NCCCCNCCC1CCCCC1 34a_200011368371_100011209188 [0,0,1,1,0,0|2,0,0]=4 8832 B17R1.1311 CC(=O)NCCCNCCCC1CCCCC1 34a_100000736810_100011713725 [0,0,1,1,0,0|2,0,0]=4 8833 B17R1.1311 CC(=O)NCCCOCCCC1CCCCC1 34a_100000752032_100011713725 [0,0,1,1,0,0|2,0,0]=4 8834 B17R1.1311 CC(=O)NCCOCCCCC1CCCCC1 7a_100011215267_100000189650 [0,0,1,1,0,0|2,0,0]=4 8835 B17R1.1311 CC(=O)OCCCCCNCC1CCCCC1 2230a_100000210473_100009813381 [0,0,1,1,0,0|2,0,0]=4 8836 B17R1.1311 CC(=O)OCCCCCNCC1CCCCC1 34a_100000210473_100000033007 [0,0,1,1,0,0|2,0,0]=4 8837 B17R1.1311 CC(=O)OCCCCCOCC1CCCCC1 34a_100000212181_100000033007 [0,0,1,1,0,0|2,0,0]=4 8838 B17R1.1311 CC(=O)OCCCCCOCC1CCCCC1 7a_100000212181_100000033007 [0,0,1,1,0,0|2,0,0]=4 8839 B17R1.1311 CC(=O)OCCCCCSCC1CCCCC1 62a_100000033007_100000211423 [0,0,1,1,0,0|2,0,0]=4 8840 B17R1.1311 CC(=O)OCCCCCSCC1CCCCC1 62a_100000211423_100000033007 [0,0,1,1,0,0|2,0,0]=4 8841 B17R1.1311 CC(=O)OCCCCNCCC1CCCCC1 34a_100000738074_100000033659 [0,0,1,1,0,0|2,0,0]=4 8842 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 34a_100000073216_100011209188 [0,0,1,1,0,0|2,0,0]=4 8843 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 34a_100011217863_100000033659 [0,0,1,1,0,0|2,0,0]=4 8844 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 7a_100000073216_100011273959 [0,0,1,1,0,0|2,0,0]=4 8845 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 7a_100011217863_100000033659 [0,0,1,1,0,0|2,0,0]=4 8846 B17R1.1311 CC(=O)OCCCCSCCC1CCCCC1 62a_100000033659_100012355289 [0,0,1,1,0,0|2,0,0]=4 8847 B17R1.1311 CC(=O)OCCCCSCCC1CCCCC1 62a_100012355289_100000033659 [0,0,1,1,0,0|2,0,0]=4 8848 B17R1.1311 CC(=O)OCCCNCCCC1CCCCC1 34a_100011211642_100000042594 [0,0,1,1,0,0|2,0,0]=4 8849 B17R1.1311 CC(=O)OCCCOCCCC1CCCCC1 34a_100000198086_100000042594 [0,0,1,1,0,0|2,0,0]=4 8850 B17R1.1311 CC(=O)OCCCOCCCC1CCCCC1 7a_100000198086_100000042594 [0,0,1,1,0,0|2,0,0]=4 8851 B17R1.1311 CC(=O)OCCCSCCCC1CCCCC1 62a_100000042594_100011713725 [0,0,1,1,0,0|2,0,0]=4 8852 B17R1.1311 CC(=O)OCCCSCCCC1CCCCC1 62a_100011713725_100000042594 [0,0,1,1,0,0|2,0,0]=4 8853 B17R1.1311 CC(=O)OCCOCCCCC1CCCCC1 34a_100011215267_100009814007 [0,0,1,1,0,0|2,0,0]=4 8854 B17R1.1311 CC(=O)OCCOCCCCC1CCCCC1 7a_100011215267_100009814007 [0,0,1,1,0,0|2,0,0]=4 8855 B17R1.1311 CC(=O)SCCCCCCNC1CCCCC1 270004a_100000704104_100000210434 [0,0,1,1,0,0|2,0,0]=4 8856 B17R1.1311 CC(=O)SCCCCNCCC1CCCCC1 2230a_100000738074_200010402107 [0,0,1,1,0,0|2,0,0]=4 8857 B17R1.1311 CC(=O)SCCCCNCCC1CCCCC1 34a_100000738074_200010402107 [0,0,1,1,0,0|2,0,0]=4 8858 B17R1.1311 CC(=O)SCCCCOCCC1CCCCC1 34a_100011217863_200010402107 [0,0,1,1,0,0|2,0,0]=4 8859 B17R1.1311 CC(=O)SCCCCOCCC1CCCCC1 7a_100011217863_200010402107 [0,0,1,1,0,0|2,0,0]=4 8860 B17R1.1311 CC(=O)SCCCCSCCC1CCCCC1 62a_100012355289_200010402107 [0,0,1,1,0,0|2,0,0]=4 8861 B17R1.1311 CC(=O)SCCCCSCCC1CCCCC1 62a_200010402107_100012355289 [0,0,1,1,0,0|2,0,0]=4 8862 B17R1.1311 CC(=O)SCCCNCCCC1CCCCC1 2230a_100011211642_100000038929 [0,0,1,1,0,0|2,0,0]=4 8863 B17R1.1311 CC(=O)SCCCNCCCC1CCCCC1 34a_100011211642_100000038929 [0,0,1,1,0,0|2,0,0]=4 8864 B17R1.1311 CC(=O)SCCCOCCCC1CCCCC1 34a_100000198086_100000038929 [0,0,1,1,0,0|2,0,0]=4 8865 B17R1.1311 CC(=O)SCCCOCCCC1CCCCC1 7a_100000198086_100000038929 [0,0,1,1,0,0|2,0,0]=4 8866 B17R1.1311 CC(=O)SCCCSCCCC1CCCCC1 62a_100000038929_100011713725 [0,0,1,1,0,0|2,0,0]=4 8867 B17R1.1311 CC(=O)SCCCSCCCC1CCCCC1 62a_100011713725_100000038929 [0,0,1,1,0,0|2,0,0]=4 8868 B17R1.1311 CC(C)CCCCCCCOC1C=CCCC1 7a_200000210741_100000751183 [0,0,1,1,0,0|2,0,0]=4 8869 B17R1.1311 NC(=O)CCCCCNCCC1CCCCC1 2230a_100000738074_100009817443 [0,0,1,1,0,0|2,0,0]=4 8870 B17R1.1311 NC(=O)CCCCCNCCC1CCCCC1 34a_100000738074_100009817443 [0,0,1,1,0,0|2,0,0]=4 8871 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 34a_100000123541_100011209188 [0,0,1,1,0,0|2,0,0]=4 8872 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 34a_100011217863_100009817443 [0,0,1,1,0,0|2,0,0]=4 8873 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 7a_100000123541_100011273959 [0,0,1,1,0,0|2,0,0]=4 8874 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 7a_100011217863_100009817443 [0,0,1,1,0,0|2,0,0]=4 8875 B17R1.1311 NC(=O)CCCCCSCCC1CCCCC1 62a_100009817443_100012355289 [0,0,1,1,0,0|2,0,0]=4 8876 B17R1.1311 NC(=O)CCCCCSCCC1CCCCC1 62a_100012355289_100009817443 [0,0,1,1,0,0|2,0,0]=4 8877 B17R1.1311 NC(=O)CCCCNCCCC1CCCCC1 34a_100000696515_100011713725 [0,0,1,1,0,0|2,0,0]=4 8878 B17R1.1311 NC(=O)CCCCOCCCC1CCCCC1 34a_100012022536_100011713725 [0,0,1,1,0,0|2,0,0]=4 8879 B17R1.1311 NC(=O)CCCCOCCCC1CCCCC1 7a_100012022536_100011713725 [0,0,1,1,0,0|2,0,0]=4 8880 B17R1.1311 NC(=O)CCCOCCCCC1CCCCC1 34a_100011215267_100102525003 [0,0,1,1,0,0|2,0,0]=4 8881 B17R1.1311 NC(=O)CCCOCCCCC1CCCCC1 7a_100011215267_100102525003 [0,0,1,1,0,0|2,0,0]=4 8882 B17R1.1311 O=C([O-])CCCCCOCCC1CCCCC1 7a_100102619762_100011273959 [0,0,1,1,0,0|2,0,0]=4 8883 B17R1.1411 CCC1CCCC1NCCCCCNC(=O)C 269862a_200012022750_100000749056 [0,0,1,1,0,0|2,0,0]=4 8884 B17R1.1411 CCC1CCCC1NCCCCCNC(=O)C 270004a_200012022750_100000749056 [0,0,1,1,0,0|2,0,0]=4 8885 B17R1.1419 CCC1CCCCC1NCCCCNC(=O)C 269862a_200011368371_100000757040 [0,0,1,1,0,0|2,0,0]=4 8886 B17R1.1419 CCC1CCCCC1NCCCCNC(=O)C 270004a_200011368371_100000757040 [0,0,1,1,0,0|2,0,0]=4 8887 B17R1.1419 CCC1CCCCC1OCCCCCC(=O)N 34a_100000210738_100009817443 [0,0,1,1,0,0|2,0,0]=4 8888 B17R1.1419 CCC1CCCCC1OCCCCCC(=O)N 7a_100000210738_100009817443 [0,0,1,1,0,0|2,0,0]=4 8889 B17R1.1419 CCC1CCCCC1OCCCCOC(=O)C 34a_100000210738_100000033659 [0,0,1,1,0,0|2,0,0]=4 8890 B17R1.1419 CCC1CCCCC1OCCCCOC(=O)C 7a_100000210738_100000033659 [0,0,1,1,0,0|2,0,0]=4 8891 B17R1.1419 CCC1CCCCC1OCCCCSC(=O)C 34a_100000210738_200010402107 [0,0,1,1,0,0|2,0,0]=4 8892 B17R1.1419 CCC1CCCCC1OCCCCSC(=O)C 7a_100000210738_200010402107 [0,0,1,1,0,0|2,0,0]=4 8893 B17R1.1419 CCC1CCCCN1CCCCCOC(=O)C 2230a_100000210034_100009813381 [0,0,1,1,0,0|2,0,0]=4 8894 B17R1.1419 CCC1CCCCN1CCCCCOC(=O)C 269982a_100000210034_100000033007 [0,0,1,1,0,0|2,0,0]=4 8895 B17R1.1419 CCC1CCCCN1CCCCCOC(=O)C 34a_100000210034_100000033007 [0,0,1,1,0,0|2,0,0]=4 8896 B17R1.1419 CCC1CCCCN1CCNCCCC(=O)C 34a_100000755458_100000685027 [0,0,1,1,0,0|2,0,0]=4 8897 B17R1.1419 CCN1CCCCC1CNCCCCC(=O)C 34a_100000754393_100009817362 [0,0,1,1,0,0|2,0,0]=4 8898 B17R1.1419 CCN1CCCCC1COCCCCC(=O)C 34a_100000225091_100009817362 [0,0,1,1,0,0|2,0,0]=4 8899 B17R1.1419 CCN1CCCCC1COCCCCC(=O)C 7a_100000225091_100000735457 [0,0,1,1,0,0|2,0,0]=4 8900 B17R1.1488 CCCCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210326 [0,0,1,1,0,0|2,0,0]=4 8901 B17R1.1488 CCCCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210215 [0,0,1,1,0,0|2,0,0]=4 8902 B17R1.1488 CCCCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000718602 [0,0,1,1,0,0|2,0,0]=4 8903 B17R1.1488 COCCCC1CCCCN1CCCC(=O)C 269982a_100011804088_100011215641 [0,0,1,1,0,0|2,0,0]=4 8904 B17R1.1488 COCCCC1CCCCN1CCCC(=O)C 34a_100011804088_100000685027 [0,0,1,1,0,0|2,0,0]=4 8905 B17R1.1503 CCCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_200000198059 [0,0,1,1,0,0|2,0,0]=4 8906 B17R1.1503 CCCCCC1CCCC1NCCCS(=O)C 270004a_200000753449_200000198059 [0,0,1,1,0,0|2,0,0]=4 8907 B17R1.1503 CCCCCC1CCCC1NCCNC(=O)C 269862a_100000209853_200000198059 [0,0,1,1,0,0|2,0,0]=4 8908 B17R1.1503 CCCCCC1CCCC1NCCSC(=O)C 269862a_100020647217_200000198059 [0,0,1,1,0,0|2,0,0]=4 8909 B17R1.4154 CC(C)CC1COCCN1CCCCCC=O 2230a_100000755734_100000139337 [0,0,1,1,0,0|2,0,0]=4 8910 B17R1.4154 CC(C)CC1COCCN1CCCCCC=O 269982a_100000755734_100000139337 [0,0,1,1,0,0|2,0,0]=4 8911 B17R1.4154 CCCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210681 [0,0,1,1,0,0|2,0,0]=4 8912 B17R1.4154 CCCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210681 [0,0,1,1,0,0|2,0,0]=4 8913 B17R1.4154 CCCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210614 [0,0,1,1,0,0|2,0,0]=4 8914 B17R1.4154 CN(C)CC1CCCCN1CCCCCC=O 2230a_100000746231_100000139337 [0,0,1,1,0,0|2,0,0]=4 8915 B17R1.4154 CN(C)CC1CCCCN1CCCCCC=O 269982a_100000746231_100000139337 [0,0,1,1,0,0|2,0,0]=4 8916 B17R1.5251 C=CCCCCCCCN1CCCC1C(C)C 2230a_100000762757_100012355270 [0,0,1,1,0,0|2,0,0]=4 8917 B17R1.5251 C=CCCCCCCCN1CCCC1C(C)C 269982a_100000762757_100012355270 [0,0,1,1,0,0|2,0,0]=4 8918 B17R1.5251 C=CCCCCCCCN1CCCC1C(C)C 34a_100000762757_100012355270 [0,0,1,1,0,0|2,0,0]=4 8919 B17R1.5251 CCCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011214924 [0,0,1,1,0,0|2,0,0]=4 8920 B17R1.5251 CCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210670 [0,0,1,1,0,0|2,0,0]=4 8921 B17R1.5251 CCCCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210614 [0,0,1,1,0,0|2,0,0]=4 8922 B17R1.5251 CCCCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210614 [0,0,1,1,0,0|2,0,0]=4 8923 B17R1.5777 C=CCCCCCN1CCCCCC1C(C)C 2230a_100000697956_100000700193 [0,0,1,1,0,0|2,0,0]=4 8924 B17R1.5777 C=CCCCCCN1CCCCCC1C(C)C 269982a_100000697956_100000700193 [0,0,1,1,0,0|2,0,0]=4 8925 B17R1.5777 C=CCCCCCN1CCCCCC1C(C)C 34a_100000697956_100000700193 [0,0,1,1,0,0|2,0,0]=4 8926 B17R1.5777 CC(C)C1CCCCCN1CCCCCC=O 2230a_100000697956_100000139337 [0,0,1,1,0,0|1,0,0]=3 8927 B17R1.5777 CC(C)C1CCCCCN1CCCCCC=O 269982a_100000697956_100000139337 [0,0,1,1,0,0|1,0,0]=3 8928 B17R1.5777 CCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210614 [0,0,1,1,0,0|2,0,0]=4 8929 B17R1.7891 C=CCCCCCCCCCOCC1CC1C 34a_100000744939_100009814027 [0,0,1,1,0,0|2,0,0]=4 8930 B17R1.7891 C=CCCCCCCCCCOCC1CC1C 7a_100000744939_100009814027 [0,0,1,1,0,0|2,0,0]=4 8931 B17R1.7901 C=CCCCCCCN1CCCCC1C(C)C 2230a_100000757267_100011215473 [0,0,1,1,0,0|2,0,0]=4 8932 B17R1.7901 C=CCCCCCCN1CCCCC1C(C)C 269982a_100000757267_100011215473 [0,0,1,1,0,0|2,0,0]=4 8933 B17R1.7901 C=CCCCCCCN1CCCCC1C(C)C 34a_100000757267_100011215473 [0,0,1,1,0,0|2,0,0]=4 8934 B17R1.7901 C=CCCCCCOC1CCCCC1C(C)C 34a_100011709184_100000700193 [0,0,1,1,0,0|2,0,0]=4 8935 B17R1.7901 C=CCCCCCOC1CCCCC1C(C)C 7a_100011709184_100000700193 [0,0,1,1,0,0|2,0,0]=4 8936 B17R1.7901 CC(C)C1CCCCC1OCCCCCC=O 7a_100011709184_100000139337 [0,0,1,1,0,0|1,0,0]=3 8937 B17R1.7901 CC(C)N1CCCCC1CCNCCCC=O 2230a_100011919236_200011292268 [0,0,1,1,0,0|2,0,0]=4 8938 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210759 [0,0,1,1,0,0|2,0,0]=4 8939 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210759 [0,0,1,1,0,0|2,0,0]=4 8940 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210759 [0,0,1,1,0,0|2,0,0]=4 8941 B17R1.7901 CCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210759 [0,0,1,1,0,0|2,0,0]=4 8942 B17R1.7901 CCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210614 [0,0,1,1,0,0|2,0,0]=4 8943 B17R1.7905 C=CCCCCCCN1CCCC1CC(C)C 2230a_100000748429_100011215473 [0,0,1,1,0,0|2,0,0]=4 8944 B17R1.7905 C=CCCCCCCN1CCCC1CC(C)C 269982a_100000748429_100011215473 [0,0,1,1,0,0|2,0,0]=4 8945 B17R1.7905 C=CCCCCCCN1CCCC1CC(C)C 34a_100000748429_100011215473 [0,0,1,1,0,0|2,0,0]=4 8946 B17R1.8474 C=CCCCCN1CCCCCC1CC(C)C 2230a_100000759364_100011215482 [0,0,1,1,0,0|2,0,0]=4 8947 B17R1.8474 C=CCCCCN1CCCCCC1CC(C)C 269982a_100000759364_100011215482 [0,0,1,1,0,0|2,0,0]=4 8948 B17R1.8474 C=CCCCCN1CCCCCC1CC(C)C 34a_100000759364_100011215482 [0,0,1,1,0,0|2,0,0]=4 8949 B17R1.8474 CC(C)CC1CCCCCN1CCCCC=O 2230a_100000759364_100000139335 [0,0,1,1,0,0|1,0,0]=3 8950 B17R1.8474 CC(C)CC1CCCCCN1CCCCC=O 269982a_100000759364_100000139335 [0,0,1,1,0,0|1,0,0]=3 8951 B17R1.9279 CC(=O)CCCCCCCCCC1OCCO1 1458a_100000070787_103619048131 [0,0,1,1,0,0|2,0,0]=4 8952 B17R1.9279 CC(=O)CCCCNCCCOC1CCCC1 34a_100000747560_100009817362 [0,0,1,1,0,0|2,0,0]=4 8953 B17R1.9279 CC(=O)NCCCCCCNCC1CCCC1 2230a_200011996284_100000740388 [0,0,1,1,0,0|2,0,0]=4 8954 B17R1.9279 CC(=O)NCCCCCCNCC1CCCC1 269862a_200011996284_100000746403 [0,0,1,1,0,0|2,0,0]=4 8955 B17R1.9279 CC(=O)NCCCCCCNCC1CCCC1 34a_200011996284_100000740388 [0,0,1,1,0,0|2,0,0]=4 8956 B17R1.9279 CC(=O)NCCCCCNCCC1CCCC1 2230a_200012022750_100000760354 [0,0,1,1,0,0|2,0,0]=4 8957 B17R1.9279 CC(=O)NCCCCCNCCC1CCCC1 34a_200012022750_100000760354 [0,0,1,1,0,0|2,0,0]=4 8958 B17R1.9279 CC(=O)NCCCCNCCCC1CCCC1 2230a_200011368371_100011713738 [0,0,1,1,0,0|2,0,0]=4 8959 B17R1.9279 CC(=O)NCCCCNCCCC1CCCC1 34a_200011368371_100011713738 [0,0,1,1,0,0|2,0,0]=4 8960 B17R1.9279 CC(=O)OCCCCCNCCC1CCCC1 2230a_100000739158_100009813381 [0,0,1,1,0,0|2,0,0]=4 8961 B17R1.9279 CC(=O)OCCCCCNCCC1CCCC1 34a_100000739158_100000033007 [0,0,1,1,0,0|2,0,0]=4 8962 B17R1.9279 CC(=O)OCCCCCOCCC1CCCC1 34a_100000749090_100000033007 [0,0,1,1,0,0|2,0,0]=4 8963 B17R1.9279 CC(=O)OCCCCCOCCC1CCCC1 7a_100000749090_100000033007 [0,0,1,1,0,0|2,0,0]=4 8964 B17R1.9279 CC(=O)OCCCCCSCCC1CCCC1 62a_100000033007_100000760354 [0,0,1,1,0,0|2,0,0]=4 8965 B17R1.9279 CC(=O)OCCCCCSCCC1CCCC1 62a_100000760354_100000033007 [0,0,1,1,0,0|2,0,0]=4 8966 B17R1.9279 CC(=O)OCCCCNCCCC1CCCC1 34a_100000736752_100000033659 [0,0,1,1,0,0|2,0,0]=4 8967 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 34a_100000073216_100011713738 [0,0,1,1,0,0|2,0,0]=4 8968 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 34a_100011215328_100000033659 [0,0,1,1,0,0|2,0,0]=4 8969 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 7a_100000073216_100011713738 [0,0,1,1,0,0|2,0,0]=4 8970 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 7a_100011215328_100000033659 [0,0,1,1,0,0|2,0,0]=4 8971 B17R1.9279 CC(=O)OCCCCSCCCC1CCCC1 62a_100000033659_100011713738 [0,0,1,1,0,0|2,0,0]=4 8972 B17R1.9279 CC(=O)OCCCCSCCCC1CCCC1 62a_100011713738_100000033659 [0,0,1,1,0,0|2,0,0]=4 8973 B17R1.9279 CC(=O)SCCCCCCNCC1CCCC1 269862a_100000704104_100000746403 [0,0,1,1,0,0|2,0,0]=4 8974 B17R1.9279 CC(=O)SCCCCNCCCC1CCCC1 2230a_100000736752_200010402107 [0,0,1,1,0,0|2,0,0]=4 8975 B17R1.9279 CC(=O)SCCCCNCCCC1CCCC1 34a_100000736752_200010402107 [0,0,1,1,0,0|2,0,0]=4 8976 B17R1.9279 CC(=O)SCCCCOCCCC1CCCC1 34a_100011215328_200010402107 [0,0,1,1,0,0|2,0,0]=4 8977 B17R1.9279 CC(=O)SCCCCOCCCC1CCCC1 7a_100011215328_200010402107 [0,0,1,1,0,0|2,0,0]=4 8978 B17R1.9279 CC(=O)SCCCCSCCCC1CCCC1 62a_100011713738_200010402107 [0,0,1,1,0,0|2,0,0]=4 8979 B17R1.9279 CC(=O)SCCCCSCCCC1CCCC1 62a_200010402107_100011713738 [0,0,1,1,0,0|2,0,0]=4 8980 B17R1.9279 NC(=O)CCCCCNCCCC1CCCC1 2230a_100000736752_100009817443 [0,0,1,1,0,0|2,0,0]=4 8981 B17R1.9279 NC(=O)CCCCCNCCCC1CCCC1 34a_100000736752_100009817443 [0,0,1,1,0,0|2,0,0]=4 8982 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 34a_100000123541_100011713738 [0,0,1,1,0,0|2,0,0]=4 8983 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 34a_100011215328_100009817443 [0,0,1,1,0,0|2,0,0]=4 8984 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 7a_100000123541_100011713738 [0,0,1,1,0,0|2,0,0]=4 8985 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 7a_100011215328_100009817443 [0,0,1,1,0,0|2,0,0]=4 8986 B17R1.9279 NC(=O)CCCCCSCCCC1CCCC1 62a_100009817443_100011713738 [0,0,1,1,0,0|2,0,0]=4 8987 B17R1.9279 NC(=O)CCCCCSCCCC1CCCC1 62a_100011713738_100009817443 [0,0,1,1,0,0|2,0,0]=4 8988 B17R1.9279 O=C([O-])CCCCCOCCCC1CCCC1 7a_100102619762_100011713738 [0,0,1,1,0,0|2,0,0]=4 8989 B17R1.11234 CC(=O)NCCCCCCNC1CCCC1C 269862a_200011996284_100000752053 [0,0,1,1,0,0|2,0,0]=4 8990 B17R1.11234 CC(=O)SCCCCCCNC1CCCC1C 269862a_100000704104_100000752053 [0,0,1,1,0,0|2,0,0]=4 8991 B17R1.11234 CC(C)CCCCCCCOC1CCCC1=O 34a_200000210741_100000709159 [0,0,1,1,0,0|1,0,0]=3 8992 B17R1.11234 CC(C)CCCCCCCOC1CCCC1=O 7a_200000210741_100000211823 [0,0,1,1,0,0|1,0,0]=3 8993 B17R1.11234 CC(C)CCCCCCCOC1CCOC1=O 34a_200000210741_100000211211 [0,0,1,1,0,0|2,0,0]=4 8994 B17R1.11234 CC(C)CCCCCCCOC1CCOC1=O 7a_200000210741_100000211211 [0,0,1,1,0,0|2,0,0]=4 8995 B17R1.11234 CC(C)CCCCCNCCN1CCCC1=O 2230a_100011200922_100000210682 [0,0,1,1,0,0|2,0,0]=4 8996 B17R1.11234 CC(C)CCCCCNCCN1CCCC1=O 2230a_100011290863_100000739059 [0,0,1,1,0,0|2,0,0]=4 8997 B17R1.11234 CC(C)CCCCCNCCN1CCCC1=O 34a_100011290863_100000739059 [0,0,1,1,0,0|2,0,0]=4 8998 B17R1.11234 CC(C)CCCCCOCCN1CCCC1=O 34a_100000211209_100000210682 [0,0,1,1,0,0|2,0,0]=4 8999 B17R1.11234 CC(C)CCCCCOCCN1CCCC1=O 34a_100011995859_100000739059 [0,0,1,1,0,0|2,0,0]=4 9000 B17R1.11234 CC(C)CCCCCOCCN1CCCC1=O 7a_100000211209_100000210682 [0,0,1,1,0,0|2,0,0]=4 9001 B17R1.11234 CC(C)CCCCCOCCN1CCCC1=O 7a_100011995859_100000739059 [0,0,1,1,0,0|2,0,0]=4 9002 B17R1.11234 CC(C)CCCCCSCCN1CCCC1=O 62a_100000210682_100000739059 [0,0,1,1,0,0|2,0,0]=4 9003 B17R1.11234 CC(C)CCCCCSCCN1CCCC1=O 62a_100000739059_100000210682 [0,0,1,1,0,0|2,0,0]=4 9004 B17R1.11234 CC(C)CCCCNCCCN1CCCC1=O 2230a_100000210347_100011216152 [0,0,1,1,0,0|2,0,0]=4 9005 B17R1.11234 CC(C)CCCCNCCCN1CCCC1=O 34a_100000210347_100011216152 [0,0,1,1,0,0|2,0,0]=4 9006 B17R1.11234 CC(C)CCCCOCCCN1CCCC1=O 34a_100011216539_100011216152 [0,0,1,1,0,0|2,0,0]=4 9007 B17R1.11234 CC(C)CCCCOCCCN1CCCC1=O 7a_100011216539_100011216152 [0,0,1,1,0,0|2,0,0]=4 9008 B17R1.13959 CC(C)NC1CCCCCCCCCCC1=O 2230a_100138425928_200009990614 [0,0,1,1,0,0|1,0,0]=3 9009 B17R1.13959 CC(C)NC1CCCCCCCCCCC1=O 34a_100138425928_200009990614 [0,0,1,1,0,0|1,0,0]=3 9010 B17R1.13959 CC(C)OC1CCCCCCCCCCC1=O 34a_100000212225_200009990614 [0,0,1,1,0,0|1,0,0]=3 9011 B17R1.13959 CC(C)SC1CCCCCCCCCCC1=O 62a_100000210206_200009990614 [0,0,1,1,0,0|1,0,0]=3 9012 B17R1.13959 CC(C)SC1CCCCCCCCCCC1=O 62a_200009990614_100000210206 [0,0,1,1,0,0|1,0,0]=3 9013 B17R1.14460 CC(C)CCCCCCNCCC1CCC1=O 2230a_100000211014_200016118888 [0,0,1,1,0,0|1,0,0]=3 9014 B17R1.16233 C=C(C)CNC1CCCCCCCCCCC1 2230a_100011194316_100000748629 [0,0,1,1,0,0|2,0,0]=4 9015 B17R1.16233 C=C(C)CNC1CCCCCCCCCCC1 34a_100011194316_100000748629 [0,0,1,1,0,0|2,0,0]=4 9016 B17R1.16233 C=C(C)COC1CCCCCCCCCCC1 34a_100000211378_100000748629 [0,0,1,1,0,0|2,0,0]=4 9017 B17R1.16233 C=C(C)COC1CCCCCCCCCCC1 7a_100000211378_100000748629 [0,0,1,1,0,0|2,0,0]=4 9018 B17R1.16233 NC(=O)CNC1CCCCCCCCCCC1 2230a_100011194316_100000747473 [0,0,1,1,0,0|2,0,0]=4 9019 B17R1.16233 NC(=O)CNC1CCCCCCCCCCC1 34a_100011194316_100000187820 [0,0,1,1,0,0|2,0,0]=4 9020 B17R1.16233 NC(=O)COC1CCCCCCCCCCC1 34a_100000211378_100000187820 [0,0,1,1,0,0|2,0,0]=4 9021 B17R1.16233 NC(=O)COC1CCCCCCCCCCC1 7a_100000211378_100000187820 [0,0,1,1,0,0|2,0,0]=4 9022 B17R1.16233 O=C([O-])CNC1CCCCCCCCCCC1 34a_100011194316_100020667443 [0,0,1,1,0,0|2,0,0]=4 9023 B17R1.16233 O=C([O-])COC1CCCCCCCCCCC1 34a_100000211378_100020667443 [0,0,1,1,0,0|2,0,0]=4 9024 B17R1.16345 CC(=O)NCCCNC1CCCCCCCC1 270004a_100000736810_100000038600 [0,0,1,1,0,0|2,0,0]=4 9025 B17R1.16345 CC(=O)OCCCCN1CCCCCCCC1 269982a_100000039187_100000033659 [0,0,1,1,0,0|2,0,0]=4 9026 B17R1.16345 CC(=O)OCCCCN1CCCCCCCC1 34a_100000039187_100000033659 [0,0,1,1,0,0|2,0,0]=4 9027 B17R1.16345 CC(=O)SCCCCN1CCCCCCCC1 2230a_100000039187_200010402107 [0,0,1,1,0,0|2,0,0]=4 9028 B17R1.16345 CC(=O)SCCCCN1CCCCCCCC1 269982a_100000039187_200010402107 [0,0,1,1,0,0|2,0,0]=4 9029 B17R1.16345 CC(=O)SCCCCN1CCCCCCCC1 34a_100000039187_200010402107 [0,0,1,1,0,0|2,0,0]=4 9030 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 2230a_100000039187_100009817443 [0,0,1,1,0,0|2,0,0]=4 9031 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 269982a_100000039187_100009817443 [0,0,1,1,0,0|2,0,0]=4 9032 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 34a_100000039187_100009817443 [0,0,1,1,0,0|2,0,0]=4 9033 B17R1.16345 NC(=O)CCCCNC1CCCCCCCC1 270004a_100000696515_100000038600 [0,0,1,1,0,0|2,0,0]=4 9034 B17R1.16396 NC(=O)CCCCCCCCCCN1CCC1 269982a_100000754969_200010167045 [0,0,1,1,0,0|2,0,0]=4 9035 B17R1.16477 NC(=O)CCCCCCCCCCNC1CC1 34a_100000212008_200010167045 [0,0,1,1,0,0|2,0,0]=4 9036 B17R1.16477 NC(=O)CCCCCCCCCCSC1CC1 62a_200010167045_100000211595 [0,0,1,1,0,0|2,0,0]=4 9037 B17R1.16927 C=CCCCCCCCCN1CCCC1(C)C 2230a_100000761399_100011933949 [0,0,1,1,0,0|2,0,0]=4 9038 B17R1.16927 C=CCCCCCCCCN1CCCC1(C)C 269982a_100000761399_100011933949 [0,0,1,1,0,0|2,0,0]=4 9039 B17R1.16927 C=CCCCCCCCCN1CCCC1(C)C 34a_100000761399_100011933949 [0,0,1,1,0,0|2,0,0]=4 9040 B17R1.16927 C=CCCCCCCCOC1CCCC1(C)C 34a_100000726220_100012355270 [0,0,1,1,0,0|2,0,0]=4 9041 B17R1.16927 C=CCCCCCCCOC1CCCC1(C)C 7a_100000726220_100012355270 [0,0,1,1,0,0|2,0,0]=4 9042 B17R1.16927 CC1(CCCN1CCNCCCCCC=O)C 2230a_100015204988_100000139337 [0,0,1,1,0,0|2,0,0]=4 9043 B17R1.17889 CCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210326 [0,0,1,1,0,0|2,0,0]=4 9044 B17R1.26240 CC(=O)CCCCOCC1CCCCCCC1 34a_100011216312_100009817362 [0,0,1,1,0,0|1,0,0]=3 9045 B17R1.26240 CC(=O)CCCCOCC1CCCCCCC1 7a_100011216312_100000735457 [0,0,1,1,0,0|1,0,0]=3 9046 B17R1.26240 CC(=O)CCCNCCC1CCCCCCC1 34a_100011532352_100000685027 [0,0,1,1,0,0|1,0,0]=3 9047 B17R1.26240 CC(=O)NCCCCNC1CCCCCCC1 270004a_200011368371_100000210524 [0,0,1,1,0,0|2,0,0]=4 9048 B17R1.26240 CC(=O)NCCNCCC1CCCCCCC1 2230a_100011532352_100000189650 [0,0,1,1,0,0|2,0,0]=4 9049 B17R1.26240 CC(=O)OCCCCCN1CCCCCCC1 2230a_100000211400_100009813381 [0,0,1,1,0,0|2,0,0]=4 9050 B17R1.26240 CC(=O)OCCCCCN1CCCCCCC1 269982a_100000211400_100000033007 [0,0,1,1,0,0|2,0,0]=4 9051 B17R1.26240 CC(=O)OCCCCCN1CCCCCCC1 34a_100000211400_100000033007 [0,0,1,1,0,0|2,0,0]=4 9052 B17R1.26240 CC(=O)OCCCCNC1CCCCCCC1 34a_100000211152_100000033659 [0,0,1,1,0,0|2,0,0]=4 9053 B17R1.26240 CC(=O)OCCCCOC1CCCCCCC1 34a_100000210054_100000033659 [0,0,1,1,0,0|2,0,0]=4 9054 B17R1.26240 CC(=O)OCCCCOC1CCCCCCC1 7a_100000210054_100000033659 [0,0,1,1,0,0|2,0,0]=4 9055 B17R1.26240 CC(=O)OCCCOCC1CCCCCCC1 34a_100011216312_100000042594 [0,0,1,1,0,0|2,0,0]=4 9056 B17R1.26240 CC(=O)OCCCOCC1CCCCCCC1 7a_100011216312_100000042594 [0,0,1,1,0,0|2,0,0]=4 9057 B17R1.26240 CC(=O)OCCNCCC1CCCCCCC1 34a_100011532352_100009814007 [0,0,1,1,0,0|2,0,0]=4 9058 B17R1.26240 CC(=O)SCCCCNC1CCCCCCC1 2230a_100000211152_200010402107 [0,0,1,1,0,0|2,0,0]=4 9059 B17R1.26240 CC(=O)SCCCCNC1CCCCCCC1 34a_100000211152_200010402107 [0,0,1,1,0,0|2,0,0]=4 9060 B17R1.26240 CC(=O)SCCCCOC1CCCCCCC1 34a_100000210054_200010402107 [0,0,1,1,0,0|2,0,0]=4 9061 B17R1.26240 CC(=O)SCCCCOC1CCCCCCC1 7a_100000210054_200010402107 [0,0,1,1,0,0|2,0,0]=4 9062 B17R1.26240 CC(=O)SCCCOCC1CCCCCCC1 34a_100011216312_100000038929 [0,0,1,1,0,0|2,0,0]=4 9063 B17R1.26240 CC(=O)SCCCOCC1CCCCCCC1 7a_100011216312_100000038929 [0,0,1,1,0,0|2,0,0]=4 9064 B17R1.26240 CC(C)CCCCCOC1C=CCCCCC1 34a_100000688657_100000210682 [0,0,1,1,0,0|2,0,0]=4 9065 B17R1.26240 NC(=O)CCCCCNC1CCCCCCC1 2230a_100000211152_100009817443 [0,0,1,1,0,0|2,0,0]=4 9066 B17R1.26240 NC(=O)CCCCCNC1CCCCCCC1 34a_100000211152_100009817443 [0,0,1,1,0,0|2,0,0]=4 9067 B17R1.26240 NC(=O)CCCCCOC1CCCCCCC1 34a_100000210054_100009817443 [0,0,1,1,0,0|2,0,0]=4 9068 B17R1.26240 NC(=O)CCCCCOC1CCCCCCC1 7a_100000210054_100009817443 [0,0,1,1,0,0|2,0,0]=4 9069 B17R1.26240 NC(=O)CCCNCCC1CCCCCCC1 34a_100011532352_100102525003 [0,0,1,1,0,0|2,0,0]=4 9070 B17R1.29093 C=CCCCCCCCCCCCNC1CC1 34a_100000212008_102130925996 [0,0,1,1,0,0|2,0,0]=4 9071 B17R1.29093 C=CCCCCCCCCCCCSC1CC1 62a_102130925996_100000211595 [0,0,1,1,0,0|2,0,0]=4 9072 B17R1.29093 C=CCCCCCCCCCCNCC1CC1 2230a_100000735609_100011093070 [0,0,1,1,0,0|2,0,0]=4 9073 B17R1.29093 C=CCCCCCCCCCCNCC1CC1 34a_100000735609_100011093070 [0,0,1,1,0,0|2,0,0]=4 9074 B17R1.29093 C=CCCCCCCCCCCOCC1CC1 34a_100000211283_100011093070 [0,0,1,1,0,0|2,0,0]=4 9075 B17R1.29093 C=CCCCCCCCCCCSCC1CC1 62a_100000756562_100011093070 [0,0,1,1,0,0|2,0,0]=4 9076 B17R1.29093 C=CCCCCCCCCCCSCC1CC1 62a_100011093070_100000742324 [0,0,1,1,0,0|2,0,0]=4 9077 B17R1.29093 C=CCCCCCCCCCNCCC1CC1 2230a_100000081888_100000694398 [0,0,1,1,0,0|2,0,0]=4 9078 B17R1.29093 C=CCCCCCCCCCNCCC1CC1 34a_100000081888_100000694398 [0,0,1,1,0,0|2,0,0]=4 9079 B17R1.29093 C=CCCCCCCCCCNCCC1CC1 34a_100000764129_100009814027 [0,0,1,1,0,0|2,0,0]=4 9080 B17R1.29093 C=CCCCCCCCCCOCCC1CC1 34a_100000038209_100000694398 [0,0,1,1,0,0|2,0,0]=4 9081 B17R1.29093 C=CCCCCCCCCCOCCC1CC1 34a_100000754188_100009814027 [0,0,1,1,0,0|2,0,0]=4 9082 B17R1.29093 C=CCCCCCCCCCOCCC1CC1 7a_100000038209_100000764125 [0,0,1,1,0,0|2,0,0]=4 9083 B17R1.29093 C=CCCCCCCCCCOCCC1CC1 7a_100000754188_100009814027 [0,0,1,1,0,0|2,0,0]=4 9084 B17R1.29093 C=CCCCCCCCCCSCCC1CC1 62a_100000764125_100009814027 [0,0,1,1,0,0|2,0,0]=4 9085 B17R1.29093 C=CCCCCCCCCCSCCC1CC1 62a_100009814027_100000764125 [0,0,1,1,0,0|2,0,0]=4 9086 B17R1.29200 CCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210320 [0,0,1,1,0,0|2,0,0]=4 9087 B17R1.103159 CC(=O)CCCCNCCC1CCCCCC1 34a_100011532351_100009817362 [0,0,1,1,0,0|1,0,0]=3 9088 B17R1.103159 CC(=O)CCCCOCCN1CCCCCC1 34a_100000238007_100009817362 [0,0,1,1,0,0|2,0,0]=4 9089 B17R1.103159 CC(=O)CCCCSCCN1CCCCCC1 62a_100000722644_100000735457 [0,0,1,1,0,0|2,0,0]=4 9090 B17R1.103159 CC(=O)CCCCSCCN1CCCCCC1 62a_100000735457_100000722644 [0,0,1,1,0,0|2,0,0]=4 9091 B17R1.103159 CC(=O)CCCOCCCN1CCCCCC1 34a_100102886287_100000685027 [0,0,1,1,0,0|2,0,0]=4 9092 B17R1.103159 CC(=O)CCCOCCCN1CCCCCC1 7a_100102886287_100011215641 [0,0,1,1,0,0|2,0,0]=4 9093 B17R1.103159 CC(=O)NCCCCCNC1CCCCCC1 270004a_200012022750_100000210131 [0,0,1,1,0,0|2,0,0]=4 9094 B17R1.103159 CC(=O)NCCCCCNC1CCCCCC1 34a_200012022750_100011217769 [0,0,1,1,0,0|2,0,0]=4 9095 B17R1.103159 CC(=O)NCCCCNCC1CCCCCC1 2230a_200011368371_200000696569 [0,0,1,1,0,0|2,0,0]=4 9096 B17R1.103159 CC(=O)NCCCCNCC1CCCCCC1 269862a_200011368371_200000763224 [0,0,1,1,0,0|2,0,0]=4 9097 B17R1.103159 CC(=O)NCCCCNCC1CCCCCC1 34a_200011368371_200000696569 [0,0,1,1,0,0|2,0,0]=4 9098 B17R1.103159 CC(=O)OCCCCCNC1CCCCCC1 2230a_100000210984_100009813381 [0,0,1,1,0,0|2,0,0]=4 9099 B17R1.103159 CC(=O)OCCCCCNC1CCCCCC1 34a_100000210984_100000033007 [0,0,1,1,0,0|2,0,0]=4 9100 B17R1.103159 CC(=O)OCCCCCOC1CCCCCC1 34a_100000210887_100000033007 [0,0,1,1,0,0|2,0,0]=4 9101 B17R1.103159 CC(=O)OCCCCCOC1CCCCCC1 7a_100000210887_100000033007 [0,0,1,1,0,0|2,0,0]=4 9102 B17R1.103159 CC(=O)OCCCCCSC1CCCCCC1 62a_100000033007_100011217769 [0,0,1,1,0,0|2,0,0]=4 9103 B17R1.103159 CC(=O)OCCCCCSC1CCCCCC1 62a_100011217769_100000033007 [0,0,1,1,0,0|2,0,0]=4 9104 B17R1.103159 CC(=O)OCCCCNCC1CCCCCC1 34a_100015204231_100000033659 [0,0,1,1,0,0|2,0,0]=4 9105 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 34a_100000073216_200000696569 [0,0,1,1,0,0|2,0,0]=4 9106 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 34a_100000699130_100000033659 [0,0,1,1,0,0|2,0,0]=4 9107 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 7a_100000073216_200000696569 [0,0,1,1,0,0|2,0,0]=4 9108 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 7a_100000699130_100000033659 [0,0,1,1,0,0|2,0,0]=4 9109 B17R1.103159 CC(=O)OCCCCSCC1CCCCCC1 62a_100000033659_200000696569 [0,0,1,1,0,0|2,0,0]=4 9110 B17R1.103159 CC(=O)OCCCCSCC1CCCCCC1 62a_200000696569_100000033659 [0,0,1,1,0,0|2,0,0]=4 9111 B17R1.103159 CC(=O)OCCCNCCC1CCCCCC1 34a_100011532351_100000042594 [0,0,1,1,0,0|2,0,0]=4 9112 B17R1.103159 CC(=O)SCCCCNCC1CCCCCC1 2230a_100015204231_200010402107 [0,0,1,1,0,0|2,0,0]=4 9113 B17R1.103159 CC(=O)SCCCCNCC1CCCCCC1 34a_100015204231_200010402107 [0,0,1,1,0,0|2,0,0]=4 9114 B17R1.103159 CC(=O)SCCCCOCC1CCCCCC1 34a_100000699130_200010402107 [0,0,1,1,0,0|2,0,0]=4 9115 B17R1.103159 CC(=O)SCCCCOCC1CCCCCC1 7a_100000699130_200010402107 [0,0,1,1,0,0|2,0,0]=4 9116 B17R1.103159 CC(=O)SCCCCSCC1CCCCCC1 62a_200000696569_200010402107 [0,0,1,1,0,0|2,0,0]=4 9117 B17R1.103159 CC(=O)SCCCCSCC1CCCCCC1 62a_200010402107_200000696569 [0,0,1,1,0,0|2,0,0]=4 9118 B17R1.103159 CC(=O)SCCCNCCC1CCCCCC1 2230a_100011532351_100000038929 [0,0,1,1,0,0|2,0,0]=4 9119 B17R1.103159 CC(=O)SCCCNCCC1CCCCCC1 34a_100011532351_100000038929 [0,0,1,1,0,0|2,0,0]=4 9120 B17R1.103159 NC(=O)CCCCCNCC1CCCCCC1 2230a_100015204231_100009817443 [0,0,1,1,0,0|2,0,0]=4 9121 B17R1.103159 NC(=O)CCCCCNCC1CCCCCC1 34a_100015204231_100009817443 [0,0,1,1,0,0|2,0,0]=4 9122 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 34a_100000123541_200000696569 [0,0,1,1,0,0|2,0,0]=4 9123 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 34a_100000699130_100009817443 [0,0,1,1,0,0|2,0,0]=4 9124 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 7a_100000123541_200000696569 [0,0,1,1,0,0|2,0,0]=4 9125 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 7a_100000699130_100009817443 [0,0,1,1,0,0|2,0,0]=4 9126 B17R1.103159 NC(=O)CCCCCSCC1CCCCCC1 62a_100009817443_200000696569 [0,0,1,1,0,0|2,0,0]=4 9127 B17R1.103159 NC(=O)CCCCCSCC1CCCCCC1 62a_200000696569_100009817443 [0,0,1,1,0,0|2,0,0]=4 9128 B17R1.103159 O=C([O-])CCCCCOCC1CCCCCC1 7a_100102619762_200000696569 [0,0,1,1,0,0|2,0,0]=4 9129 B17R1.106507 C=CCCCCCCCCOCC1CC1(C)C 34a_100000728257_100011933949 [0,0,1,1,0,0|2,0,0]=4 9130 B17R1.106507 C=CCCCCCCCCOCC1CC1(C)C 7a_100000728257_100011933949 [0,0,1,1,0,0|2,0,0]=4 9131 B17R1.450 CC(C)CC(=O)NCCCN1CCCCC1C 240690a_100000212276_100000210554 [0,0,1,1,0,0|2,0,0]=4 9132 B17R1.450 CC(C)CC(=O)NCCCN1CCCCC1C 527a_100000212276_100000210554 [0,0,1,1,0,0|2,0,0]=4 9133 B17R1.746 CCCC1CCCCC1NCC(=O)NC(C)C 269862a_100000168517_100011218038 [0,0,1,1,0,0|2,0,0]=4 9134 B17R1.746 CCCC1CCCCC1NCC(=O)NC(C)C 270004a_100000168517_100011218038 [0,0,1,1,0,0|2,0,0]=4 9135 B17R1.746 CCCC1CCCCC1OCC(=O)NC(C)C 34a_100011217265_100000183996 [0,0,1,1,0,0|2,0,0]=4 9136 B17R1.746 CCCC1CCCCC1OCC(=O)NC(C)C 7a_100011217265_100000183996 [0,0,1,1,0,0|2,0,0]=4 9137 B17R1.746 CCCC1CCCCC1OCC(=O)OC(C)C 34a_100011217265_100011215430 [0,0,1,1,0,0|2,0,0]=4 9138 B17R1.746 CCCC1CCCCC1OCC(=O)OC(C)C 7a_100011217265_100011215430 [0,0,1,1,0,0|2,0,0]=4 9139 B17R1.746 CCCC1CCCCN1CCC(=O)NC(C)C 2230a_100000701414_100000737564 [0,0,1,1,0,0|2,0,0]=4 9140 B17R1.746 CCCC1CCCCN1CCC(=O)NC(C)C 269982a_100000701414_100000737564 [0,0,1,1,0,0|2,0,0]=4 9141 B17R1.746 CCCC1CCCCN1CCC(=O)OC(C)C 2230a_100000701414_100000760027 [0,0,1,1,0,0|2,0,0]=4 9142 B17R1.746 CCCC1CCCCN1CCC(=O)OC(C)C 269982a_100000701414_100000760027 [0,0,1,1,0,0|2,0,0]=4 9143 B17R1.1306 CCCCC1CCCC1NCC(=O)NC(C)C 269862a_100000168517_100000750825 [0,0,1,1,0,0|2,0,0]=4 9144 B17R1.1306 CCCCC1CCCC1NCC(=O)NC(C)C 270004a_100000168517_100000750825 [0,0,1,1,0,0|2,0,0]=4 9145 B17R1.4171 CCC1CCCCC1OCCC(=O)NC(C)C 7a_100000210738_100000737564 [0,0,1,1,0,0|2,0,0]=4 9146 B17R1.4171 CCC1CCCCC1OCCC(=O)OC(C)C 7a_100000210738_100000760027 [0,0,1,1,0,0|2,0,0]=4 9147 B17R1.4171 CCC1CCCCN1CCNC(=O)CC(C)C 11a_100000755458_100000210554 [0,0,1,1,0,0|2,0,0]=4 9148 B17R1.4171 CCC1CCCCN1CCNC(=O)CC(C)C 1626a_100000755458_100000210554 [0,0,1,1,0,0|2,0,0]=4 9149 B17R1.4171 CCC1CCCCN1CCNC(=O)CC(C)C 240690a_100000755458_100000210554 [0,0,1,1,0,0|2,0,0]=4 9150 B17R1.4171 CCC1CCCCN1CCNC(=O)CC(C)C 527a_100000755458_100000210554 [0,0,1,1,0,0|2,0,0]=4 9151 B17R1.8307 CC(C)CC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210624 [0,0,1,1,0,0|1,0,0]=3 9152 B17R1.8307 CC(C)CC(=O)CCCCCN1CCOCC1 1458a_100012051560_100000210624 [0,0,1,1,0,0|2,0,0]=4 9153 B17R1.8307 CC(C)CC(=O)CCCCOC1CCCCO1 1458a_100000210554_100000031530 [0,0,1,1,0,0|2,0,0]=4 9154 B17R1.8307 CC(C)CC(=O)NCCCCN1CCCCC1 240690a_200011207366_100000210554 [0,0,1,1,0,0|2,0,0]=4 9155 B17R1.8307 CC(C)CC(=O)NCCCOC1CCCCC1 11a_100000205933_100000210554 [0,0,1,1,0,0|2,0,0]=4 9156 B17R1.8307 CC(C)CC(=O)NCCCOC1CCCCC1 1626a_100000205933_100000210554 [0,0,1,1,0,0|2,0,0]=4 9157 B17R1.8307 CC(C)CC(=O)NCCCOC1CCCCC1 240690a_100000205933_100000210554 [0,0,1,1,0,0|2,0,0]=4 9158 B17R1.8307 CC(C)CC(=O)NCCCOC1CCCCC1 527a_100000205933_100000210554 [0,0,1,1,0,0|2,0,0]=4 9159 B17R1.8307 CC(C)NC(=O)CCCCCN1CCCCC1 11a_100138425928_100012051570 [0,0,1,1,0,0|2,0,0]=4 9160 B17R1.8307 CC(C)NC(=O)CCCCCN1CCCCC1 240690a_100138425928_100012051570 [0,0,1,1,0,0|2,0,0]=4 9161 B17R1.8307 CC(C)NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000737564 [0,0,1,1,0,0|2,0,0]=4 9162 B17R1.8307 CC(C)NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000737564 [0,0,1,1,0,0|2,0,0]=4 9163 B17R1.8307 CC(C)NC(=O)CCSCCC1CCCCC1 62a_100000737564_100012355289 [0,0,1,1,0,0|2,0,0]=4 9164 B17R1.8307 CC(C)NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000737564 [0,0,1,1,0,0|2,0,0]=4 9165 B17R1.8307 CC(C)NC(=O)CNCCCC1CCCCC1 2230a_100000168517_100011713725 [0,0,1,1,0,0|2,0,0]=4 9166 B17R1.8307 CC(C)NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183996 [0,0,1,1,0,0|2,0,0]=4 9167 B17R1.8307 CC(C)NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183996 [0,0,1,1,0,0|2,0,0]=4 9168 B17R1.8307 CC(C)NC(=O)COCCCC1CCCCC1 34a_100000198086_100000183996 [0,0,1,1,0,0|2,0,0]=4 9169 B17R1.8307 CC(C)NC(=O)COCCCC1CCCCC1 7a_100000198086_100000183996 [0,0,1,1,0,0|2,0,0]=4 9170 B17R1.8307 CC(C)NC(=O)CSCCCC1CCCCC1 62a_100000183996_100011713725 [0,0,1,1,0,0|2,0,0]=4 9171 B17R1.8307 CC(C)NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183996 [0,0,1,1,0,0|2,0,0]=4 9172 B17R1.8307 CC(C)OC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000760027 [0,0,1,1,0,0|2,0,0]=4 9173 B17R1.8307 CC(C)OC(=O)CCOCCC1CCCCC1 7a_100011217863_100000760027 [0,0,1,1,0,0|2,0,0]=4 9174 B17R1.8307 CC(C)OC(=O)CCSCCC1CCCCC1 62a_100000760027_100012355289 [0,0,1,1,0,0|2,0,0]=4 9175 B17R1.8307 CC(C)OC(=O)CCSCCC1CCCCC1 62a_100012355289_100000760027 [0,0,1,1,0,0|2,0,0]=4 9176 B17R1.8307 CC(C)OC(=O)CNCCCC1CCCCC1 2230a_100011211642_100011215430 [0,0,1,1,0,0|2,0,0]=4 9177 B17R1.8307 CC(C)OC(=O)CNCCCC1CCCCC1 34a_100011211642_100011215430 [0,0,1,1,0,0|2,0,0]=4 9178 B17R1.8307 CC(C)OC(=O)COCCCC1CCCCC1 34a_100000198086_100011215430 [0,0,1,1,0,0|2,0,0]=4 9179 B17R1.8307 CC(C)OC(=O)COCCCC1CCCCC1 7a_100000198086_100011215430 [0,0,1,1,0,0|2,0,0]=4 9180 B17R1.8307 CC(C)OC(=O)CSCCCC1CCCCC1 62a_100011215430_100011713725 [0,0,1,1,0,0|2,0,0]=4 9181 B17R1.8307 CC(C)OC(=O)CSCCCC1CCCCC1 62a_100011713725_100011215430 [0,0,1,1,0,0|2,0,0]=4 9182 B17R1.8307 CC(O)CC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011218427 [0,0,1,1,0,0|2,0,0]=4 9183 B17R1.8312 CC(C)CC(=O)NCCCCCN1CCCC1 1626a_100011491779_100000210554 [0,0,1,1,0,0|2,0,0]=4 9184 B17R1.8312 CC(C)CC(=O)NCCCCCN1CCCC1 240690a_100011491779_100000210554 [0,0,1,1,0,0|2,0,0]=4 9185 B17R1.8312 CC(C)NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000737564 [0,0,1,1,0,0|2,0,0]=4 9186 B17R1.8312 CC(C)NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000737564 [0,0,1,1,0,0|2,0,0]=4 9187 B17R1.8312 CC(C)NC(=O)CCSCCCC1CCCC1 62a_100000737564_100011713738 [0,0,1,1,0,0|2,0,0]=4 9188 B17R1.8312 CC(C)NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000737564 [0,0,1,1,0,0|2,0,0]=4 9189 B17R1.8312 CC(C)OC(=O)CCCCCNC1CCCC1 2230a_100000211070_200010986244 [0,0,1,1,0,0|2,0,0]=4 9190 B17R1.8312 CC(C)OC(=O)CCCCCNC1CCCC1 34a_100000211070_200010986244 [0,0,1,1,0,0|2,0,0]=4 9191 B17R1.8312 CC(C)OC(=O)CCCCCOC1CCCC1 34a_100000210269_200010986244 [0,0,1,1,0,0|2,0,0]=4 9192 B17R1.8312 CC(C)OC(=O)CCCCCOC1CCCC1 7a_100000210269_200010986244 [0,0,1,1,0,0|2,0,0]=4 9193 B17R1.8312 CC(C)OC(=O)CCCCCSC1CCCC1 62a_100011217020_200010986244 [0,0,1,1,0,0|2,0,0]=4 9194 B17R1.8312 CC(C)OC(=O)CCCCCSC1CCCC1 62a_200010986244_100000179811 [0,0,1,1,0,0|2,0,0]=4 9195 B17R1.8312 CC(C)OC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000760027 [0,0,1,1,0,0|2,0,0]=4 9196 B17R1.8312 CC(C)OC(=O)CCOCCCC1CCCC1 7a_100011215328_100000760027 [0,0,1,1,0,0|2,0,0]=4 9197 B17R1.8312 CC(C)OC(=O)CCSCCCC1CCCC1 62a_100000760027_100011713738 [0,0,1,1,0,0|2,0,0]=4 9198 B17R1.8312 CC(C)OC(=O)CCSCCCC1CCCC1 62a_100011713738_100000760027 [0,0,1,1,0,0|2,0,0]=4 9199 B17R1.11117 CC(C)OC(=O)CCCCCOCC1CC1C 34a_100000744939_200010986244 [0,0,1,1,0,0|2,0,0]=4 9200 B17R1.11117 CC(C)OC(=O)CCCCCOCC1CC1C 7a_100000744939_200010986244 [0,0,1,1,0,0|2,0,0]=4 9201 B17R1.11233 CC(C)OC(=O)CCCCCN1CCC[C@@H]1C 2230a_100020605311_200010986244 [0,0,1,1,0,0|2,0,0]=4 9202 B17R1.11233 CC(C)OC(=O)CCCCCN1CCC[C@@H]1C 269982a_100020605311_200010986244 [0,0,1,1,0,0|2,0,0]=4 9203 B17R1.11233 CC(C)OC(=O)CCCCCN1CCC[C@H]1C 2230a_100015189458_200010986244 [0,0,1,1,0,0|2,0,0]=4 9204 B17R1.11233 CC(C)OC(=O)CCCCCN1CCC[C@H]1C 269982a_100015189458_200010986244 [0,0,1,1,0,0|2,0,0]=4 9205 B17R1.11233 CC(C)OC(=O)CCCCCN1CCC[C@H]1C 34a_100015189458_200010986244 [0,0,1,1,0,0|2,0,0]=4 9206 B17R1.16939 COCCCC1CCCCN1C(=O)CC(C)C 11a_100011804088_100000210554 [0,0,1,1,0,0|2,0,0]=4 9207 B17R1.16939 COCCCC1CCCCN1C(=O)CC(C)C 1626a_100011804088_100000210554 [0,0,1,1,0,0|2,0,0]=4 9208 B17R1.16939 COCCCC1CCCCN1C(=O)CC(C)C 240690a_100011804088_100000210554 [0,0,1,1,0,0|2,0,0]=4 9209 B17R1.16939 COCCCC1CCCCN1C(=O)CC(C)C 527a_100011804088_100000210554 [0,0,1,1,0,0|2,0,0]=4 9210 B17R1.17307 CCCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210759 [0,0,1,1,0,0|2,0,0]=4 9211 B17R1.17307 CCCCCCCCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210759 [0,0,1,1,0,0|2,0,0]=4 9212 B17R1.17307 CCCCCCCCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000210759 [0,0,1,1,0,0|2,0,0]=4 9213 B17R1.25094 C=C(C)CN(C)C1CCCC1CCCCCC 270004a_100000225649_100000189428 [0,0,1,1,0,0|2,0,0]=4 9214 B17R1.25094 CCCCCCC1CCCC1N(C)CC(=O)N 270004a_100000739694_100000189428 [0,0,1,1,0,0|2,0,0]=4 9215 B17R1.25094 CCCCCCC1CCCC1N(C)CC(C)C 270004a_100000747067_100000189428 [0,0,1,1,0,0|2,0,0]=4 9216 B17R1.25094 CCCCCCN1CCC[C@@H]1C(=O)NC(C)C 2230a_100153395200_100000210314 [0,0,1,1,0,0|2,0,0]=4 9217 B17R1.25094 CCCCCCN1CCC[C@@H]1C(=O)NC(C)C 269982a_100153395200_100000210757 [0,0,1,1,0,0|2,0,0]=4 9218 B17R1.25094 CCCCCCN1CCC[C@@H]1C(=O)NC(C)C 34a_100153395200_100000210314 [0,0,1,1,0,0|2,0,0]=4 9219 B17R1.25278 CCCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210670 [0,0,1,1,0,0|2,0,0]=4 9220 B17R1.25278 CCCCCCCCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210670 [0,0,1,1,0,0|2,0,0]=4 9221 B17R1.25716 CCCCCCCN1CCNC(=O)C1C(C)C 2230a_100000751287_100000210681 [0,0,1,1,0,0|2,0,0]=4 9222 B17R1.25716 CCCCCCCN1CCNC(=O)C1C(C)C 269982a_100000751287_100000210681 [0,0,1,1,0,0|2,0,0]=4 9223 B17R1.25716 CCCCCCCN1CCNC(=O)C1C(C)C 34a_100000751287_100000210614 [0,0,1,1,0,0|2,0,0]=4 9224 B17R1.25717 CCCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210614 [0,0,1,1,0,0|2,0,0]=4 9225 B17R1.25717 CCCCCCCN1CCCC(C1)NC(=O)C 2230a_106657272119_100000210681 [0,0,1,1,0,0|2,0,0]=4 9226 B17R1.25717 CCCCCCCN1CCCC(C1)NC(=O)C 269982a_106657272119_100000210681 [0,0,1,1,0,0|2,0,0]=4 9227 B17R1.26414 CC(C)OC(=O)CCCCCNCC1CCC1 2230a_100000738700_200010986244 [0,0,1,1,0,0|2,0,0]=4 9228 B17R1.26414 CC(C)OC(=O)CCCCCNCC1CCC1 34a_100000738700_200010986244 [0,0,1,1,0,0|2,0,0]=4 9229 B17R1.26414 CC(C)OC(=O)CCCCCOCC1CCC1 34a_100000760304_200010986244 [0,0,1,1,0,0|2,0,0]=4 9230 B17R1.26414 CC(C)OC(=O)CCCCCSCC1CCC1 62a_100000763275_200010986244 [0,0,1,1,0,0|2,0,0]=4 9231 B17R1.26414 CC(C)OC(=O)CCCCCSCC1CCC1 62a_200010986244_100000763275 [0,0,1,1,0,0|2,0,0]=4 9232 B17R1.29775 C=CCCCCCCCCCC(=O)CC1CC1 1458a_100000738066_100009814027 [0,0,1,1,0,0|0,0,2]=4 9233 B17R1.29775 CCCCCCCCCC=CC(=O)CC1CC1 1458a_200015352897_100000742324 [0,0,1,1,0,0|0,0,2]=4 9234 B17R1.29775 CCCCCCCCCCCC(=O)CC1CC1 1458a_100000210736_100000742324 [0,0,1,1,0,0|0,0,0]=2 9235 B17R1.29775 CCCCCCCCCCCC(=O)CC1CC1 1458a_100000738066_100011215454 [0,0,1,1,0,0|0,0,0]=2 9236 B17R1.29775 CCCCCCCCCCCC(=O)CC1CO1 1458a_100000210736_100011216344 [0,0,1,1,0,0|1,0,0]=3 9237 B17R1.29775 CCCCCCCCCCCC(=O)CC1CS1 1458a_100000210736_100000031435 [0,0,1,1,0,0|1,0,0]=3 9238 B17R1.29775 CCCCCCCCCCCC(=O)C[C@@H]1CO1 1458a_100000210736_100000745022 [0,0,1,1,0,0|1,0,0]=3 9239 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 1626a_100000212008_100000210736 [0,0,1,1,0,0|1,0,0]=3 9240 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 240690a_100000212008_100000210736 [0,0,1,1,0,0|1,0,0]=3 9241 B17R1.29775 CCCCCCCCCCCN(C)CC1CC1 2230a_100000741881_100011215454 [0,0,1,1,0,0|2,0,0]=4 9242 B17R1.29775 CCCCCCCCCCCN(C)CC1CC1 269982a_100000741881_100011215454 [0,0,1,1,0,0|2,0,0]=4 9243 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 11a_100000684558_100000738066 [0,0,1,1,0,0|1,0,0]=3 9244 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 1626a_100000684558_100000738066 [0,0,1,1,0,0|1,0,0]=3 9245 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 240690a_100000684558_100000738066 [0,0,1,1,0,0|1,0,0]=3 9246 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 527a_100000684558_100000738066 [0,0,1,1,0,0|1,0,0]=3 9247 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 2708a_100000212008_100000684558 [0,0,1,1,0,0|2,0,0]=4 9248 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 2708a_100000684558_100000212008 [0,0,1,1,0,0|2,0,0]=4 9249 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 273464a_100000212008_100000684558 [0,0,1,1,0,0|2,0,0]=4 9250 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 273464a_100000684558_100000212008 [0,0,1,1,0,0|2,0,0]=4 9251 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 512a_100000212008_100000684558 [0,0,1,1,0,0|2,0,0]=4 9252 B17R1.29775 CCCCCCCCCNCC(=O)NC1CC1 2230a_100000212291_100000182950 [0,0,1,1,0,0|2,0,0]=4 9253 B17R1.29775 CCCCCCCCCNCC(=O)NC1CC1 2230a_100000702991_100011214924 [0,0,1,1,0,0|2,0,0]=4 9254 B17R1.29775 CCCCCCCCCNCC(=O)NC1CC1 34a_100000212291_100000182950 [0,0,1,1,0,0|2,0,0]=4 9255 B17R1.29775 CCCCCCCCCOCC(=O)NC1CC1 34a_100000210712_100000182950 [0,0,1,1,0,0|2,0,0]=4 9256 B17R1.29775 CCCCCCCCCOCC(=O)NC1CC1 7a_100000210712_100000182950 [0,0,1,1,0,0|2,0,0]=4 9257 B17R1.29775 CCCCCCCCCSCC(=O)NC1CC1 62a_100000182950_100000210670 [0,0,1,1,0,0|2,0,0]=4 9258 B17R1.29775 CCCCCCCCNCCC(=O)NC1CC1 2230a_100000229939_100000737409 [0,0,1,1,0,0|2,0,0]=4 9259 B17R1.29775 CCCCCCCCNCCC(=O)NC1CC1 34a_100000229939_100000737409 [0,0,1,1,0,0|2,0,0]=4 9260 B17R1.29775 CCCCCCCCOCCC(=O)NC1CC1 34a_100000210232_100000737409 [0,0,1,1,0,0|2,0,0]=4 9261 B17R1.29775 CCCCCCCCSCCC(=O)NC1CC1 62a_100000210759_100000737409 [0,0,1,1,0,0|2,0,0]=4 9262 B17R1.29775 CCCCCCCCSCCC(=O)NC1CC1 62a_100000737409_100000210317 [0,0,1,1,0,0|2,0,0]=4 9263 B17R1.29775 O=C(CC1CC1)NCCCCCCCCCO 240690a_100000078944_100000738066 [0,0,1,1,0,0|2,0,0]=4 9264 B17R1.29775 O=C(CCCCCCCCCCO)CC1CC1 1458a_100000738066_100009813290 [0,0,1,1,0,0|1,0,0]=3 9265 B17R1.29775 O=C(CCCCCCCCCCO)NC1CC1 240690a_100000212008_200000016029 [0,0,1,1,0,0|2,0,0]=4 9266 B17R1.41532 CCCCCCCCCCCN1CC(C1)(C)C 2230a_100000753659_100011215454 [0,0,1,1,0,0|2,0,0]=4 9267 B17R1.41532 CCCCCCCCCCCN1CC(C1)(C)C 269982a_100000753659_100011215454 [0,0,1,1,0,0|2,0,0]=4 9268 B17R1.61968 CC(C)NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000737564 [0,0,1,1,0,0|2,0,0]=4 9269 B17R1.61968 CC(C)NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000737564 [0,0,1,1,0,0|2,0,0]=4 9270 B17R1.61968 CC(C)NC(=O)CNC1CCCCCCCC1 270004a_100000168517_100000038600 [0,0,1,1,0,0|2,0,0]=4 9271 B17R1.61968 CC(C)OC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000760027 [0,0,1,1,0,0|2,0,0]=4 9272 B17R1.61968 CC(C)OC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000760027 [0,0,1,1,0,0|2,0,0]=4 9273 B17R1.62012 CC(C)OC(=O)CCCCCNCCC1CC1 34a_100000764129_200010986244 [0,0,1,1,0,0|2,0,0]=4 9274 B17R1.62012 CC(C)OC(=O)CCCCCOCCC1CC1 34a_100000754188_200010986244 [0,0,1,1,0,0|2,0,0]=4 9275 B17R1.62012 CC(C)OC(=O)CCCCCOCCC1CC1 7a_100000754188_200010986244 [0,0,1,1,0,0|2,0,0]=4 9276 B17R1.62012 CC(C)OC(=O)CCCCCSCCC1CC1 62a_100000764125_200010986244 [0,0,1,1,0,0|2,0,0]=4 9277 B17R1.62012 CC(C)OC(=O)CCCCCSCCC1CC1 62a_200010986244_100000764125 [0,0,1,1,0,0|2,0,0]=4 9278 B17R1.73265 C=CCCCCCCCCCC(=O)C1CC1C 1458a_100000211227_100009814027 [0,0,1,1,0,0|0,0,2]=4 9279 B17R1.73265 CC1CC1C(=O)CCCCCCCCCCO 1458a_100000211227_100009813290 [0,0,1,1,0,0|1,0,0]=3 9280 B17R1.73265 CCCCCCCCCCCC(=O)C1CC1C 1458a_100000211227_100011215454 [0,0,1,1,0,0|0,0,0]=2 9281 B17R1.73265 CCCCCCCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215454 [0,0,1,1,0,0|1,0,0]=3 9282 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C 11a_100000684558_100000211227 [0,0,1,1,0,0|1,0,0]=3 9283 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C 1626a_100000684558_100000211227 [0,0,1,1,0,0|1,0,0]=3 9284 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C 527a_100000684558_100000211227 [0,0,1,1,0,0|1,0,0]=3 9285 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000684558_100015396687 [0,0,1,1,0,0|2,0,0]=4 9286 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000684558_100015396687 [0,0,1,1,0,0|2,0,0]=4 9287 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000684558_100015396687 [0,0,1,1,0,0|2,0,0]=4 9288 B17R1.73265 O=C(CCCCCCCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100009813290 [0,0,1,1,0,0|2,0,0]=4 9289 B17R1.103871 CC(C)CC(=O)NCCC1CCCCCCC1 11a_100011532352_100000210554 [0,0,1,1,0,0|1,0,0]=3 9290 B17R1.103871 CC(C)CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000210554 [0,0,1,1,0,0|1,0,0]=3 9291 B17R1.103871 CC(C)CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000210554 [0,0,1,1,0,0|1,0,0]=3 9292 B17R1.103871 CC(C)CC(=O)NCCC1CCCCCCC1 527a_100011532352_100000210554 [0,0,1,1,0,0|1,0,0]=3 9293 B17R1.103871 CC(C)NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000737564 [0,0,1,1,0,0|2,0,0]=4 9294 B17R1.103871 CC(C)NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000737564 [0,0,1,1,0,0|2,0,0]=4 9295 B17R1.103871 CC(C)NC(=O)COCC1CCCCCCC1 34a_100011216312_100000183996 [0,0,1,1,0,0|2,0,0]=4 9296 B17R1.103871 CC(C)NC(=O)COCC1CCCCCCC1 7a_100011216312_100000183996 [0,0,1,1,0,0|2,0,0]=4 9297 B17R1.103871 CC(C)NC(=O)NCCC1CCCCCCC1 2708a_100011532352_100138425928 [0,0,1,1,0,0|2,0,0]=4 9298 B17R1.103871 CC(C)NC(=O)NCCC1CCCCCCC1 2708a_100138425928_100011532352 [0,0,1,1,0,0|2,0,0]=4 9299 B17R1.103871 CC(C)NC(=O)NCCC1CCCCCCC1 273464a_100138425928_100011532352 [0,0,1,1,0,0|2,0,0]=4 9300 B17R1.103871 CC(C)NC(=O)NCCC1CCCCCCC1 512a_100138425928_100011532352 [0,0,1,1,0,0|2,0,0]=4 9301 B17R1.103871 CC(C)OC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000760027 [0,0,1,1,0,0|2,0,0]=4 9302 B17R1.103871 CC(C)OC(=O)CCOC1CCCCCCC1 7a_100000210054_100000760027 [0,0,1,1,0,0|2,0,0]=4 9303 B17R1.103871 CC(C)OC(=O)COCC1CCCCCCC1 34a_100011216312_100011215430 [0,0,1,1,0,0|2,0,0]=4 9304 B17R1.103871 CC(C)OC(=O)COCC1CCCCCCC1 7a_100011216312_100011215430 [0,0,1,1,0,0|2,0,0]=4 9305 B17R1.103871 CN(C)CC(=O)NCCC1CCCCCCC1 11a_100011532352_100000750896 [0,0,1,1,0,0|2,0,0]=4 9306 B17R1.103871 CN(C)CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000750896 [0,0,1,1,0,0|2,0,0]=4 9307 B17R1.103871 CN(C)CC(=O)NCCC1CCCCCCC1 527a_100011532352_100000750896 [0,0,1,1,0,0|2,0,0]=4 9308 B17R1.103871 C[C@@H](O)CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100011933948 [0,0,1,1,0,0|2,0,0]=4 9309 B17R1.103871 C[S+](C)CC(=O)NCCC1CCCCCCC1 11a_100011532352_200159257847 [0,0,1,1,0,0|2,0,0]=4 9310 B17R1.103871 C[S+](C)CC(=O)NCCC1CCCCCCC1 1626a_100011532352_200159257847 [0,0,1,1,0,0|2,0,0]=4 9311 B17R1.103871 C[S+](C)CC(=O)NCCC1CCCCCCC1 240690a_100011532352_200159257847 [0,0,1,1,0,0|2,0,0]=4 9312 B17R1.103871 C[S+](C)CC(=O)NCCC1CCCCCCC1 527a_100011532352_200159257847 [0,0,1,1,0,0|2,0,0]=4 9313 B17R1.151293 CC(C)CC(=O)NCCCN1CCCCCC1 11a_100000181460_100000210554 [0,0,1,1,0,0|2,0,0]=4 9314 B17R1.151293 CC(C)CC(=O)NCCCN1CCCCCC1 240690a_100000181460_100000210554 [0,0,1,1,0,0|2,0,0]=4 9315 B17R1.151293 CC(C)CC(=O)NCCCN1CCCCCC1 527a_100000181460_100000210554 [0,0,1,1,0,0|2,0,0]=4 9316 B17R1.151293 CC(C)NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000737564 [0,0,1,1,0,0|2,0,0]=4 9317 B17R1.151293 CC(C)NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000737564 [0,0,1,1,0,0|2,0,0]=4 9318 B17R1.151293 CC(C)NC(=O)CCSCC1CCCCCC1 62a_100000737564_200000696569 [0,0,1,1,0,0|2,0,0]=4 9319 B17R1.151293 CC(C)NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000737564 [0,0,1,1,0,0|2,0,0]=4 9320 B17R1.151293 CC(C)NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183996 [0,0,1,1,0,0|2,0,0]=4 9321 B17R1.151293 CC(C)NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183996 [0,0,1,1,0,0|2,0,0]=4 9322 B17R1.151293 CC(C)OC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000760027 [0,0,1,1,0,0|2,0,0]=4 9323 B17R1.151293 CC(C)OC(=O)CCOCC1CCCCCC1 7a_100000699130_100000760027 [0,0,1,1,0,0|2,0,0]=4 9324 B17R1.151293 CC(C)OC(=O)CCSCC1CCCCCC1 62a_100000760027_200000696569 [0,0,1,1,0,0|2,0,0]=4 9325 B17R1.151293 CC(C)OC(=O)CCSCC1CCCCCC1 62a_200000696569_100000760027 [0,0,1,1,0,0|2,0,0]=4 9326 B17R1.151293 CC(C)OC(=O)CNCCC1CCCCCC1 2230a_100011532351_100011215430 [0,0,1,1,0,0|2,0,0]=4 9327 B17R1.151293 CC(C)OC(=O)CNCCC1CCCCCC1 34a_100011532351_100011215430 [0,0,1,1,0,0|2,0,0]=4 9328 B17R1.308 CCCCCCN1CCCC(C1)CC(=O)OC 2230a_100016989293_100000210314 [0,0,1,1,0,0|2,0,0]=4 9329 B17R1.308 CCCCCCN1CCCC(C1)CC(=O)OC 269982a_100016989293_100000210757 [0,0,1,1,0,0|2,0,0]=4 9330 B17R1.308 CCCCCOC1CCCC(C1)CC(=O)OC 7a_200010992784_100000210326 [0,0,1,1,0,0|2,0,0]=4 9331 B17R1.872 CCC(=O)CC(=O)CCCCC1CCCCC1 1458a_200011215547_100000747405 [0,0,1,1,0,0|1,0,1]=4 9332 B17R1.872 CCC(C)CC(=O)CCCCC1CCCCC1 1458a_200011215547_100000748023 [0,0,1,1,0,0|0,0,0]=2 9333 B17R1.872 CCC(C)CC(=O)CCCCN1CCCCC1 1458a_100000754417_100000748023 [0,0,1,1,0,0|1,0,0]=3 9334 B17R1.872 CCC(C)CC(=O)CCCOC1CCCCO1 1458a_100000708755_100000700653 [0,0,1,1,0,0|2,0,0]=4 9335 B17R1.872 CCC(C)CC(=O)NCCCC1CCCCC1 11a_100011211642_100000708755 [0,0,1,1,0,0|1,0,0]=3 9336 B17R1.872 CCC(C)CC(=O)NCCCC1CCCCC1 1626a_100011211642_100000708755 [0,0,1,1,0,0|1,0,0]=3 9337 B17R1.872 CCC(C)CC(=O)NCCCC1CCCCC1 240690a_100011211642_100000708755 [0,0,1,1,0,0|1,0,0]=3 9338 B17R1.872 CCC(C)CC(=O)NCCCC1CCCCC1 527a_100011211642_100000708755 [0,0,1,1,0,0|1,0,0]=3 9339 B17R1.872 CCC(C)CC(=O)NCCCN1CCCCC1 240690a_100000204581_100000708755 [0,0,1,1,0,0|2,0,0]=4 9340 B17R1.872 CCC(C)CC(=O)NCCCN1CCCCC1 527a_100000204581_100000708755 [0,0,1,1,0,0|2,0,0]=4 9341 B17R1.872 CCC(C)CC(=O)NCCOC1CCCCC1 11a_100015206981_100000708755 [0,0,1,1,0,0|2,0,0]=4 9342 B17R1.872 CCC(C)CC(=O)NCCOC1CCCCC1 1626a_100015206981_100000708755 [0,0,1,1,0,0|2,0,0]=4 9343 B17R1.872 CCC(C)CC(=O)NCCOC1CCCCC1 240690a_100015206981_100000708755 [0,0,1,1,0,0|2,0,0]=4 9344 B17R1.872 CCC(C)CC(=O)NCCOC1CCCCC1 527a_100015206981_100000708755 [0,0,1,1,0,0|2,0,0]=4 9345 B17R1.872 CCC(C)NC(=O)CCCCC1CCCCC1 11a_100000209981_200011215547 [0,0,1,1,0,0|1,0,0]=3 9346 B17R1.872 CCC(C)NC(=O)CCCCC1CCCCC1 1626a_100000209981_200011215547 [0,0,1,1,0,0|1,0,0]=3 9347 B17R1.872 CCC(C)NC(=O)CCCCC1CCCCC1 240690a_100000209981_200011215547 [0,0,1,1,0,0|1,0,0]=3 9348 B17R1.872 CCC(C)NC(=O)CCCCC1CCCCC1 527a_100000209981_200011215547 [0,0,1,1,0,0|1,0,0]=3 9349 B17R1.872 CCC(C)NC(=O)CCCCN1CCCCC1 11a_100000209981_100000754417 [0,0,1,1,0,0|2,0,0]=4 9350 B17R1.872 CCC(C)NC(=O)CCCCN1CCCCC1 240690a_100000209981_100000754417 [0,0,1,1,0,0|2,0,0]=4 9351 B17R1.872 CCC(C)NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000182745 [0,0,1,1,0,0|2,0,0]=4 9352 B17R1.872 CCC(C)NC(=O)CNCCC1CCCCC1 34a_100000738074_100000182745 [0,0,1,1,0,0|2,0,0]=4 9353 B17R1.872 CCC(C)NC(=O)COCCC1CCCCC1 34a_100011217863_100000182745 [0,0,1,1,0,0|2,0,0]=4 9354 B17R1.872 CCC(C)NC(=O)COCCC1CCCCC1 7a_100011217863_100000182745 [0,0,1,1,0,0|2,0,0]=4 9355 B17R1.872 CCC(C)NC(=O)CSCCC1CCCCC1 62a_100000182745_100012355289 [0,0,1,1,0,0|2,0,0]=4 9356 B17R1.872 CCC(C)NC(=O)CSCCC1CCCCC1 62a_100012355289_100000182745 [0,0,1,1,0,0|2,0,0]=4 9357 B17R1.872 CCC(C)NC(=O)NCCCC1CCCCC1 2708a_100000209981_100011211642 [0,0,1,1,0,0|2,0,0]=4 9358 B17R1.872 CCC(C)NC(=O)NCCCC1CCCCC1 2708a_100011211642_100000209981 [0,0,1,1,0,0|2,0,0]=4 9359 B17R1.872 CCC(C)NC(=O)NCCCC1CCCCC1 273464a_100000209981_100011211642 [0,0,1,1,0,0|2,0,0]=4 9360 B17R1.872 CCC(C)NC(=O)NCCCC1CCCCC1 273464a_100011211642_100000209981 [0,0,1,1,0,0|2,0,0]=4 9361 B17R1.872 CCC(C)NC(=O)NCCCC1CCCCC1 512a_100000209981_100011211642 [0,0,1,1,0,0|2,0,0]=4 9362 B17R1.872 CCC(C)NC(=O)NCCCC1CCCCC1 512a_100011211642_100000209981 [0,0,1,1,0,0|2,0,0]=4 9363 B17R1.872 CCC(O)CC(=O)CCCCC1CCCCC1 1458a_200011215547_100011218378 [0,0,1,1,0,0|1,0,0]=3 9364 B17R1.872 CCC(O)CC(=O)CCCCN1CCCCC1 1458a_100000754417_100011218378 [0,0,1,1,0,0|2,0,0]=4 9365 B17R1.872 CCC(O)CC(=O)NCCCC1CCCCC1 1626a_100011211642_100011667805 [0,0,1,1,0,0|2,0,0]=4 9366 B17R1.872 CCC(O)CC(=O)NCCCC1CCCCC1 240690a_100011211642_100011667805 [0,0,1,1,0,0|2,0,0]=4 9367 B17R1.872 CCN(C)CC(=O)NCCCC1CCCCC1 2230a_100000225621_200000048884 [0,0,1,1,0,0|2,0,0]=4 9368 B17R1.872 CCN(C)CC(=O)NCCCC1CCCCC1 240690a_100011211642_100116209913 [0,0,1,1,0,0|2,0,0]=4 9369 B17R1.872 CCN(C)CC(=O)NCCCC1CCCCC1 269982a_100000225621_200000048884 [0,0,1,1,0,0|2,0,0]=4 9370 B17R1.872 CCN(C)CC(=O)NCCCC1CCCCC1 527a_100011211642_100116209913 [0,0,1,1,0,0|2,0,0]=4 9371 B17R1.872 CC[C@H](C)CC(=O)CCCCC1CCCCC1 1458a_200011215547_100009816398 [0,0,1,1,0,0|0,0,0]=2 9372 B17R1.872 CC[C@H](C)CC(=O)CCCCN1CCCCC1 1458a_100000754417_100009816398 [0,0,1,1,0,0|1,0,0]=3 9373 B17R1.872 COC(=O)CC(C)NCCCC1CCCCC1 2230a_100011211642_100009817358 [0,0,1,1,0,0|2,0,0]=4 9374 B17R1.872 COC(=O)CC(C)NCCCC1CCCCC1 34a_100011211642_100009817358 [0,0,1,1,0,0|2,0,0]=4 9375 B17R1.872 COC(=O)CC(C)OCCCC1CCCCC1 34a_100000198086_100009817358 [0,0,1,1,0,0|2,0,0]=4 9376 B17R1.872 COC(=O)CC(C)OCCCC1CCCCC1 7a_100000198086_100009817358 [0,0,1,1,0,0|2,0,0]=4 9377 B17R1.872 COC(=O)CC(C)SCCCC1CCCCC1 62a_100009817358_100011713725 [0,0,1,1,0,0|2,0,0]=4 9378 B17R1.872 COC(=O)CC(C)SCCCC1CCCCC1 62a_100011713725_100009817358 [0,0,1,1,0,0|2,0,0]=4 9379 B17R1.872 C[C@@H](CO)CC(=O)CCCCC1CCCCC1 1458a_200011215547_100000059175 [0,0,1,1,0,0|1,0,0]=3 9380 B17R1.872 C[C@@H](CO)CC(=O)CCCCN1CCCCC1 1458a_100000754417_100000059175 [0,0,1,1,0,0|2,0,0]=4 9381 B17R1.872 C[C@H](CF)NC(=O)CCCCC1CCCCC1 11a_100102880703_200011215547 [0,0,1,1,0,0|2,0,0]=4 9382 B17R1.872 C[C@H](CF)NC(=O)CCCCC1CCCCC1 1626a_100102880703_200011215547 [0,0,1,1,0,0|2,0,0]=4 9383 B17R1.872 C[C@H](CF)NC(=O)CCCCC1CCCCC1 240690a_100102880703_200011215547 [0,0,1,1,0,0|2,0,0]=4 9384 B17R1.872 C[C@H](CF)NC(=O)CCCCC1CCCCC1 527a_100102880703_200011215547 [0,0,1,1,0,0|2,0,0]=4 9385 B17R1.872 C[C@H](CO)NC(=O)CCCCC1CCCCC1 240690a_100000737577_200011215547 [0,0,1,1,0,0|2,0,0]=4 9386 B17R1.872 C[C@H](CO)NC(=O)CCCCC1CCCCC1 527a_100000737577_200011215547 [0,0,1,1,0,0|2,0,0]=4 9387 B17R1.887 CCC(C)CC(=O)NCCCCN1CCCC1 1626a_100000740493_100000708755 [0,0,1,1,0,0|2,0,0]=4 9388 B17R1.887 CCC(C)CC(=O)NCCCCN1CCCC1 240690a_100000740493_100000708755 [0,0,1,1,0,0|2,0,0]=4 9389 B17R1.887 CCC(C)CC(=O)NCCCOC1CCCC1 11a_100000747560_100000708755 [0,0,1,1,0,0|2,0,0]=4 9390 B17R1.887 CCC(C)CC(=O)NCCCOC1CCCC1 1626a_100000747560_100000708755 [0,0,1,1,0,0|2,0,0]=4 9391 B17R1.887 CCC(C)CC(=O)NCCCOC1CCCC1 240690a_100000747560_100000708755 [0,0,1,1,0,0|2,0,0]=4 9392 B17R1.887 CCC(C)CC(=O)NCCCOC1CCCC1 527a_100000747560_100000708755 [0,0,1,1,0,0|2,0,0]=4 9393 B17R1.887 CCC(C)NC(=O)CNCCCC1CCCC1 2230a_100000736752_100000182745 [0,0,1,1,0,0|2,0,0]=4 9394 B17R1.887 CCC(C)NC(=O)CNCCCC1CCCC1 34a_100000736752_100000182745 [0,0,1,1,0,0|2,0,0]=4 9395 B17R1.887 CCC(C)NC(=O)COCCCC1CCCC1 34a_100011215328_100000182745 [0,0,1,1,0,0|2,0,0]=4 9396 B17R1.887 CCC(C)NC(=O)COCCCC1CCCC1 7a_100011215328_100000182745 [0,0,1,1,0,0|2,0,0]=4 9397 B17R1.887 CCC(C)NC(=O)CSCCCC1CCCC1 62a_100000182745_100011713738 [0,0,1,1,0,0|2,0,0]=4 9398 B17R1.887 CCC(C)NC(=O)CSCCCC1CCCC1 62a_100011713738_100000182745 [0,0,1,1,0,0|2,0,0]=4 9399 B17R1.4138 CCCCCCCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100000210681 [0,0,1,1,0,0|2,0,0]=4 9400 B17R1.4138 CCCCCCCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000210681 [0,0,1,1,0,0|2,0,0]=4 9401 B17R1.6576 CCC(C)CC(=O)NCC1CCCCN1CC 11a_100000754393_100000708755 [0,0,1,1,0,0|2,0,0]=4 9402 B17R1.6576 CCC(C)CC(=O)NCC1CCCCN1CC 1626a_100000754393_100000708755 [0,0,1,1,0,0|2,0,0]=4 9403 B17R1.6576 CCC(C)CC(=O)NCC1CCCCN1CC 240690a_100000754393_100000708755 [0,0,1,1,0,0|2,0,0]=4 9404 B17R1.6576 CCC(C)CC(=O)NCC1CCCCN1CC 527a_100000754393_100000708755 [0,0,1,1,0,0|2,0,0]=4 9405 B17R1.6576 CCC(C)NC(=O)COC1CCCCC1CC 34a_100000210738_100000182745 [0,0,1,1,0,0|2,0,0]=4 9406 B17R1.6576 CCC(C)NC(=O)COC1CCCCC1CC 7a_100000210738_100000182745 [0,0,1,1,0,0|2,0,0]=4 9407 B17R1.10925 C=CCCCCCCCCC(=O)CC1(CC1)C 1458a_100000112800_100011933949 [0,0,1,1,0,0|0,0,2]=4 9408 B17R1.10925 CC1(CC1)CC(=O)CCCCCCCCCO 1458a_100000112800_100009813782 [0,0,1,1,0,0|1,0,0]=3 9409 B17R1.10925 CC1(CC1)CC(=O)NCCCCCCCCO 240690a_102515433106_100000112800 [0,0,1,1,0,0|2,0,0]=4 9410 B17R1.10925 CC1(CC1)NC(=O)CCCCCCCCCF 11a_100000757604_200009909015 [0,0,1,1,0,0|2,0,0]=4 9411 B17R1.10925 CC1(CC1)NC(=O)CCCCCCCCCF 240690a_100000757604_200009909015 [0,0,1,1,0,0|2,0,0]=4 9412 B17R1.10925 CC1(CC1)NC(=O)CCCCCCCCCF 527a_100000757604_200009909015 [0,0,1,1,0,0|2,0,0]=4 9413 B17R1.10925 CC1(CC1)NC(=O)CCCCCCCCCO 240690a_100000757604_100000032657 [0,0,1,1,0,0|2,0,0]=4 9414 B17R1.10925 CC1(CO1)CC(=O)CCCCCCCCCF 1458a_200009909015_100000760498 [0,0,1,1,0,0|2,0,0]=4 9415 B17R1.10925 CCC#CCCCCCCC(=O)CC1(CC1)C 1458a_100000112800_200000036426 [0,0,1,1,0,0|0,0,2]=4 9416 B17R1.10925 CCCCCCCCCCC(=O)CC1(CC1)C 1458a_100000112800_100000210319 [0,0,1,1,0,0|0,0,0]=2 9417 B17R1.10925 CCCCCCCCCCC(=O)CC1(CO1)C 1458a_100000210375_100000760498 [0,0,1,1,0,0|1,0,0]=3 9418 B17R1.10925 CCCCCCCCCCC(=O)NC1(CC1)C 11a_100000757604_100000210375 [0,0,1,1,0,0|1,0,0]=3 9419 B17R1.10925 CCCCCCCCCCC(=O)NC1(CC1)C 1626a_100000757604_100000210375 [0,0,1,1,0,0|1,0,0]=3 9420 B17R1.10925 CCCCCCCCCCC(=O)NC1(CC1)C 240690a_100000757604_100000210375 [0,0,1,1,0,0|1,0,0]=3 9421 B17R1.10925 CCCCCCCCCNC(=O)CC1(CC1)C 11a_100000212291_100000112800 [0,0,1,1,0,0|1,0,0]=3 9422 B17R1.10925 CCCCCCCCCNC(=O)CC1(CC1)C 1626a_100000212291_100000112800 [0,0,1,1,0,0|1,0,0]=3 9423 B17R1.10925 CCCCCCCCCNC(=O)CC1(CC1)C 240690a_100000212291_100000112800 [0,0,1,1,0,0|1,0,0]=3 9424 B17R1.10925 CCCCCCCCCNC(=O)CC1(CC1)C 527a_100000212291_100000112800 [0,0,1,1,0,0|1,0,0]=3 9425 B17R1.10925 CCCCCCCCCNC(=O)NC1(CC1)C 2708a_100000212291_100000757604 [0,0,1,1,0,0|2,0,0]=4 9426 B17R1.10925 CCCCCCCCCNC(=O)NC1(CC1)C 273464a_100000212291_100000757604 [0,0,1,1,0,0|2,0,0]=4 9427 B17R1.10925 CCCCCCCCCNC(=O)NC1(CC1)C 273464a_100000757604_100000212291 [0,0,1,1,0,0|2,0,0]=4 9428 B17R1.10925 CCCCCCCCCNC(=O)NC1(CC1)C 512a_100000757604_100000212291 [0,0,1,1,0,0|2,0,0]=4 9429 B17R1.10925 CCCCCCCCOCC(=O)CC1(CO1)C 1458a_100000759886_100000760498 [0,0,1,1,0,0|2,0,0]=4 9430 B17R1.10925 CCCCCCCCOCC(=O)NC1(CC1)C 11a_100000757604_100000759886 [0,0,1,1,0,0|2,0,0]=4 9431 B17R1.10925 CCCCCCCCOCC(=O)NC1(CC1)C 1626a_100000757604_100000759886 [0,0,1,1,0,0|2,0,0]=4 9432 B17R1.10925 CCCCCCCCOCC(=O)NC1(CC1)C 240690a_100000757604_100000759886 [0,0,1,1,0,0|2,0,0]=4 9433 B17R1.10925 CCCCCCCCOCC(=O)NC1(CC1)C 527a_100000757604_100000759886 [0,0,1,1,0,0|2,0,0]=4 9434 B17R1.16925 CCCCCCCCCNC1CC(=O)N(C1)C 2230a_100000748898_100011214924 [0,0,1,1,0,0|2,0,0]=4 9435 B17R1.16925 CCCCCCCCCNC1CC(=O)N(C1)C 34a_100000748898_100011214924 [0,0,1,1,0,0|2,0,0]=4 9436 B17R1.16925 CCCCCCCCOCC1CC(=O)N(C1)C 34a_100015185614_100000210759 [0,0,1,1,0,0|2,0,0]=4 9437 B17R1.17302 CCCCCCCCN1CC(C1)CC(=O)OC 269982a_100016993681_100000210759 [0,0,1,1,0,0|2,0,0]=4 9438 B17R1.18104 CCCC1CCCCC1OC(C)CC(=O)OC 34a_100011217265_100009817358 [0,0,1,1,0,0|2,0,0]=4 9439 B17R1.18104 CCCC1CCCCC1OC(C)CC(=O)OC 7a_100011217265_100009817358 [0,0,1,1,0,0|2,0,0]=4 9440 B17R1.18104 CCCC1CCCCN1CC(=O)NC(C)CC 2230a_100000701414_100000182745 [0,0,1,1,0,0|2,0,0]=4 9441 B17R1.18104 CCCC1CCCCN1CC(=O)NC(C)CC 269982a_100000701414_100000182745 [0,0,1,1,0,0|2,0,0]=4 9442 B17R1.18104 CCCC1CCCCN1CC(=O)NC(C)CC 34a_100000701414_100000182745 [0,0,1,1,0,0|2,0,0]=4 9443 B17R1.20738 CCC(C)CC(=O)CCN1CCCCCCC1 1458a_200015187237_100000748023 [0,0,1,1,0,0|1,0,0]=3 9444 B17R1.20738 CCC(C)NC(=O)CCN1CCCCCCC1 240690a_100000209981_200015187237 [0,0,1,1,0,0|2,0,0]=4 9445 B17R1.20738 CCC(C)NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000182745 [0,0,1,1,0,0|2,0,0]=4 9446 B17R1.20738 CCC(C)NC(=O)CNC1CCCCCCC1 34a_100000211152_100000182745 [0,0,1,1,0,0|2,0,0]=4 9447 B17R1.20738 CCC(C)NC(=O)COC1CCCCCCC1 34a_100000210054_100000182745 [0,0,1,1,0,0|2,0,0]=4 9448 B17R1.20738 CCC(C)NC(=O)COC1CCCCCCC1 7a_100000210054_100000182745 [0,0,1,1,0,0|2,0,0]=4 9449 B17R1.20738 CCC(O)CC(=O)CCN1CCCCCCC1 1458a_200015187237_100011218378 [0,0,1,1,0,0|2,0,0]=4 9450 B17R1.20738 CC[C@H](C)CC(=O)CCN1CCCCCCC1 1458a_200015187237_100009816398 [0,0,1,1,0,0|1,0,0]=3 9451 B17R1.20738 COC(=O)CC(C)OCC1CCCCCCC1 34a_100011216312_100009817358 [0,0,1,1,0,0|2,0,0]=4 9452 B17R1.20738 COC(=O)CC(C)OCC1CCCCCCC1 7a_100011216312_100009817358 [0,0,1,1,0,0|2,0,0]=4 9453 B17R1.20738 C[C@@H](CO)CC(=O)CCN1CCCCCCC1 1458a_200015187237_100000059175 [0,0,1,1,0,0|2,0,0]=4 9454 B17R1.20875 CCC(=O)CN(C)CCCN1CCCCCC1 269982a_200000231118_100000747405 [0,0,1,1,0,0|2,0,0]=4 9455 B17R1.20875 CCC(C)CC(=O)NCCC1CCCCCC1 11a_100011532351_100000708755 [0,0,1,1,0,0|1,0,0]=3 9456 B17R1.20875 CCC(C)CC(=O)NCCC1CCCCCC1 1626a_100011532351_100000708755 [0,0,1,1,0,0|1,0,0]=3 9457 B17R1.20875 CCC(C)CC(=O)NCCC1CCCCCC1 240690a_100011532351_100000708755 [0,0,1,1,0,0|1,0,0]=3 9458 B17R1.20875 CCC(C)CC(=O)NCCC1CCCCCC1 527a_100011532351_100000708755 [0,0,1,1,0,0|1,0,0]=3 9459 B17R1.20875 CCC(C)CC(=O)NCCN1CCCCCC1 11a_100000738142_100000708755 [0,0,1,1,0,0|2,0,0]=4 9460 B17R1.20875 CCC(C)CC(=O)NCCN1CCCCCC1 240690a_100000738142_100000708755 [0,0,1,1,0,0|2,0,0]=4 9461 B17R1.20875 CCC(C)CC(=O)NCCN1CCCCCC1 527a_100000738142_100000708755 [0,0,1,1,0,0|2,0,0]=4 9462 B17R1.20875 CCC(C)NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000182745 [0,0,1,1,0,0|2,0,0]=4 9463 B17R1.20875 CCC(C)NC(=O)CNCC1CCCCCC1 34a_100015204231_100000182745 [0,0,1,1,0,0|2,0,0]=4 9464 B17R1.20875 CCC(C)NC(=O)COCC1CCCCCC1 34a_100000699130_100000182745 [0,0,1,1,0,0|2,0,0]=4 9465 B17R1.20875 CCC(C)NC(=O)COCC1CCCCCC1 7a_100000699130_100000182745 [0,0,1,1,0,0|2,0,0]=4 9466 B17R1.20875 CCC(C)NC(=O)CSCC1CCCCCC1 62a_100000182745_200000696569 [0,0,1,1,0,0|2,0,0]=4 9467 B17R1.20875 CCC(C)NC(=O)CSCC1CCCCCC1 62a_200000696569_100000182745 [0,0,1,1,0,0|2,0,0]=4 9468 B17R1.20875 CCC(C)NC(=O)NCCC1CCCCCC1 2708a_100000209981_100011532351 [0,0,1,1,0,0|2,0,0]=4 9469 B17R1.20875 CCC(C)NC(=O)NCCC1CCCCCC1 2708a_100011532351_100000209981 [0,0,1,1,0,0|2,0,0]=4 9470 B17R1.20875 CCC(C)NC(=O)NCCC1CCCCCC1 273464a_100000209981_100011532351 [0,0,1,1,0,0|2,0,0]=4 9471 B17R1.20875 CCC(C)NC(=O)NCCC1CCCCCC1 273464a_100011532351_100000209981 [0,0,1,1,0,0|2,0,0]=4 9472 B17R1.20875 CCC(C)NC(=O)NCCC1CCCCCC1 512a_100000209981_100011532351 [0,0,1,1,0,0|2,0,0]=4 9473 B17R1.20875 CCC(O)CC(=O)NCCC1CCCCCC1 1626a_100011532351_100011667805 [0,0,1,1,0,0|2,0,0]=4 9474 B17R1.20875 CCC(O)CC(=O)NCCC1CCCCCC1 240690a_100011532351_100011667805 [0,0,1,1,0,0|2,0,0]=4 9475 B17R1.20875 CCN(C)CC(=O)NCCC1CCCCCC1 240690a_100011532351_100116209913 [0,0,1,1,0,0|2,0,0]=4 9476 B17R1.20875 CCN(C)CC(=O)NCCC1CCCCCC1 527a_100011532351_100116209913 [0,0,1,1,0,0|2,0,0]=4 9477 B17R1.20875 COC(=O)CC(C)NCCC1CCCCCC1 2230a_100011532351_100009817358 [0,0,1,1,0,0|2,0,0]=4 9478 B17R1.20875 COC(=O)CC(C)NCCC1CCCCCC1 34a_100011532351_100009817358 [0,0,1,1,0,0|2,0,0]=4 9479 B17R1.21020 CCC(C)NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000182745 [0,0,1,1,0,0|2,0,0]=4 9480 B17R1.21020 CCC(C)NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000182745 [0,0,1,1,0,0|2,0,0]=4 9481 B17R1.21020 CCC(C)NC(=O)CN1CCCCCCCC1 34a_100000039187_100000182745 [0,0,1,1,0,0|2,0,0]=4 9482 B17R1.23822 CCC(=O)C1CCCCCCCCCCC1=O 1458a_100000210414_200009990614 [0,0,1,1,0,0|1,0,1]=4 9483 B17R1.23822 CCN(C)C1CCCCCCCCCCC1=O 2230a_100000225621_200009990614 [0,0,1,1,0,0|1,0,0]=3 9484 B17R1.23822 CCN(C)C1CCCCCCCCCCC1=O 269982a_100000225621_200009990614 [0,0,1,1,0,0|1,0,0]=3 9485 B17R1.24757 CCC(C)CC(=O)NCCN1CCCCC1C 240690a_100000739827_100000708755 [0,0,1,1,0,0|2,0,0]=4 9486 B17R1.24757 CCC(C)CC(=O)NCCN1CCCCC1C 527a_100000739827_100000708755 [0,0,1,1,0,0|2,0,0]=4 9487 B17R1.25873 CCC(C)CC(=O)N1CCCCC1CCCO 240690a_100011934581_100000708755 [0,0,1,1,0,0|2,0,0]=4 9488 B17R1.25873 CCC(C)CC(=O)N1CCCCC1CCOC 11a_100015186528_100000708755 [0,0,1,1,0,0|2,0,0]=4 9489 B17R1.25873 CCC(C)CC(=O)N1CCCCC1CCOC 1626a_100015186528_100000708755 [0,0,1,1,0,0|2,0,0]=4 9490 B17R1.25873 CCC(C)CC(=O)N1CCCCC1CCOC 240690a_100015186528_100000708755 [0,0,1,1,0,0|2,0,0]=4 9491 B17R1.25873 CCC(C)CC(=O)N1CCCCC1CCOC 527a_100015186528_100000708755 [0,0,1,1,0,0|2,0,0]=4 9492 B17R1.26143 C=CCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100011933949 [0,0,1,1,0,0|0,0,2]=4 9493 B17R1.26143 CCC#CCCCCCCC(=O)C1CC1CC 1458a_200011661523_200000036426 [0,0,1,1,0,0|0,0,2]=4 9494 B17R1.26143 CCC1CC1C(=O)CCCCCCCCCO 1458a_200011661523_100009813782 [0,0,1,1,0,0|1,0,0]=3 9495 B17R1.26143 CCC1CC1C(=O)NCCCCCCCCO 240690a_102515433106_200011661523 [0,0,1,1,0,0|2,0,0]=4 9496 B17R1.26143 CCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100000210319 [0,0,1,1,0,0|0,0,0]=2 9497 B17R1.26143 CCCCCCCCCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210319 [0,0,1,1,0,0|1,0,1]=4 9498 B17R1.26143 CCCCCCCCCNC(=O)C1CC1CC 11a_100000212291_200011661523 [0,0,1,1,0,0|1,0,0]=3 9499 B17R1.26143 CCCCCCCCCNC(=O)C1CC1CC 1626a_100000212291_200011661523 [0,0,1,1,0,0|1,0,0]=3 9500 B17R1.26143 CCCCCCCCCNC(=O)C1CC1CC 240690a_100000212291_200011661523 [0,0,1,1,0,0|1,0,0]=3 9501 B17R1.26143 CCCCCCCCCNC(=O)C1CC1CC 527a_100000212291_200011661523 [0,0,1,1,0,0|1,0,0]=3 9502 B17R1.26144 CCCCCCCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210375 [0,0,1,1,0,0|2,0,0]=4 9503 B17R1.26144 CCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210375 [0,0,1,1,0,0|2,0,0]=4 9504 B17R1.26144 CCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210375 [0,0,1,1,0,0|2,0,0]=4 9505 B17R1.26144 CCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210375 [0,0,1,1,0,0|2,0,0]=4 9506 B17R1.26145 C#CCCCCCCCCC(=O)CC1CCC1 1458a_100000029693_100000763275 [0,0,1,1,0,0|0,0,2]=4 9507 B17R1.26145 C=CCCCCCCCCC(=O)CC1CCC1 1458a_100000211349_100000763275 [0,0,1,1,0,0|0,0,2]=4 9508 B17R1.26145 C=CCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100011933949 [0,0,1,1,0,0|0,0,2]=4 9509 B17R1.26145 CC#CCCCCCCCC(=O)CC1CCC1 1458a_100000066323_100000763275 [0,0,1,1,0,0|0,0,2]=4 9510 B17R1.26145 CCC#CCCCCCCC(=O)CC1CCC1 1458a_100000763092_200000036426 [0,0,1,1,0,0|0,0,2]=4 9511 B17R1.26145 CCCCCCCCC=CC(=O)CC1CCC1 1458a_100015345288_100000763275 [0,0,1,1,0,0|0,0,2]=4 9512 B17R1.26145 CCCCCCCCCCC(=O)C=C1CCC1 1458a_100000686340_100000210319 [0,0,1,1,0,0|0,0,2]=4 9513 B17R1.26145 CCCCCCCCCCC(=O)CC1CCC1 1458a_100000210375_100000763275 [0,0,1,1,0,0|0,0,0]=2 9514 B17R1.26145 CCCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100000210319 [0,0,1,1,0,0|0,0,0]=2 9515 B17R1.26145 CCCCCCCCCCC(=O)CC1CCO1 1458a_100000210375_100000103362 [0,0,1,1,0,0|1,0,0]=3 9516 B17R1.26145 CCCCCCCCCCC(=O)CC1COC1 1458a_100000210375_100010264016 [0,0,1,1,0,0|1,0,0]=3 9517 B17R1.26145 CCCCCCCCCCC(=O)CC1COC1 1458a_100000687760_100000210319 [0,0,1,1,0,0|1,0,0]=3 9518 B17R1.26145 CCCCCCCCCCC(=O)NC1CCC1 11a_100000749019_100000210375 [0,0,1,1,0,0|1,0,0]=3 9519 B17R1.26145 CCCCCCCCCCC(=O)NC1CCC1 1626a_100000749019_100000210375 [0,0,1,1,0,0|1,0,0]=3 9520 B17R1.26145 CCCCCCCCCCC(=O)NC1CCC1 240690a_100000749019_100000210375 [0,0,1,1,0,0|1,0,0]=3 9521 B17R1.26145 CCCCCCCCCCC(=O)NC1COC1 11a_100016991112_100000210375 [0,0,1,1,0,0|2,0,0]=4 9522 B17R1.26145 CCCCCCCCCCC(=O)NC1COC1 1626a_100016991112_100000210375 [0,0,1,1,0,0|2,0,0]=4 9523 B17R1.26145 CCCCCCCCCCC(=O)NC1COC1 240690a_100016991112_100000210375 [0,0,1,1,0,0|2,0,0]=4 9524 B17R1.26145 CCCCCCCCCCC(=O)NC1CSC1 11a_100016994217_100000210375 [0,0,1,1,0,0|2,0,0]=4 9525 B17R1.26145 CCCCCCCCCCC(=O)NC1CSC1 1626a_100016994217_100000210375 [0,0,1,1,0,0|2,0,0]=4 9526 B17R1.26145 CCCCCCCCCCC(=O)NC1CSC1 240690a_100016994217_100000210375 [0,0,1,1,0,0|2,0,0]=4 9527 B17R1.26145 CCCCCCCCCCN(C)CC1CCC1 2230a_100000207566_100000763275 [0,0,1,1,0,0|2,0,0]=4 9528 B17R1.26145 CCCCCCCCCCN(C)CC1CCC1 2230a_200000750244_100000210320 [0,0,1,1,0,0|2,0,0]=4 9529 B17R1.26145 CCCCCCCCCCN(C)CC1CCC1 269982a_100000207566_100000763275 [0,0,1,1,0,0|2,0,0]=4 9530 B17R1.26145 CCCCCCCCCCN(C)CC1CCC1 269982a_200000750244_100000210320 [0,0,1,1,0,0|2,0,0]=4 9531 B17R1.26145 CCCCCCCCCCN(C)CC1CCC1 34a_200000750244_100000210320 [0,0,1,1,0,0|2,0,0]=4 9532 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 11a_100000212291_100000763092 [0,0,1,1,0,0|1,0,0]=3 9533 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 1626a_100000212291_100000763092 [0,0,1,1,0,0|1,0,0]=3 9534 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 240690a_100000212291_100000763092 [0,0,1,1,0,0|1,0,0]=3 9535 B17R1.26145 CCCCCCCCCNC(=O)CC1CCC1 527a_100000212291_100000763092 [0,0,1,1,0,0|1,0,0]=3 9536 B17R1.26145 CCCCCCCCCNC(=O)CC1COC1 11a_100000212291_100000687760 [0,0,1,1,0,0|2,0,0]=4 9537 B17R1.26145 CCCCCCCCCNC(=O)CC1COC1 1626a_100000212291_100000687760 [0,0,1,1,0,0|2,0,0]=4 9538 B17R1.26145 CCCCCCCCCNC(=O)NC1CCC1 2708a_100000212291_100000749019 [0,0,1,1,0,0|2,0,0]=4 9539 B17R1.26145 CCCCCCCCCNC(=O)NC1CCC1 273464a_100000212291_100000749019 [0,0,1,1,0,0|2,0,0]=4 9540 B17R1.26145 CCCCCCCCCNC(=O)NC1CCC1 273464a_100000749019_100000212291 [0,0,1,1,0,0|2,0,0]=4 9541 B17R1.26145 CCCCCCCCCNC(=O)NC1CCC1 512a_100000212291_100000749019 [0,0,1,1,0,0|2,0,0]=4 9542 B17R1.26145 CCCCCCCCCNC(=O)NC1CCC1 512a_100000749019_100000212291 [0,0,1,1,0,0|2,0,0]=4 9543 B17R1.26145 CCCCCCCCOCC(=O)CC1CCC1 1458a_100000759886_100000763275 [0,0,1,1,0,0|1,0,0]=3 9544 B17R1.26145 CCCCCCCCOCC(=O)CC1CCO1 1458a_100000759886_100000103362 [0,0,1,1,0,0|2,0,0]=4 9545 B17R1.26145 CCCCCCCCOCC(=O)CC1COC1 1458a_100000759886_100010264016 [0,0,1,1,0,0|2,0,0]=4 9546 B17R1.26145 CCCCCCCCOCC(=O)NC1CCC1 11a_100000749019_100000759886 [0,0,1,1,0,0|2,0,0]=4 9547 B17R1.26145 CCCCCCCCOCC(=O)NC1CCC1 1626a_100000749019_100000759886 [0,0,1,1,0,0|2,0,0]=4 9548 B17R1.26145 CCCCCCCCOCC(=O)NC1CCC1 240690a_100000749019_100000759886 [0,0,1,1,0,0|2,0,0]=4 9549 B17R1.26145 CCCCCCCCOCC(=O)NC1CCC1 527a_100000749019_100000759886 [0,0,1,1,0,0|2,0,0]=4 9550 B17R1.26145 O=C(CC1CCC1)NCCCCCCCCO 240690a_102515433106_100000763092 [0,0,1,1,0,0|2,0,0]=4 9551 B17R1.26145 O=C(CCCCCCCCCF)CC1CCC1 1458a_200009909015_100000763275 [0,0,1,1,0,0|1,0,0]=3 9552 B17R1.26145 O=C(CCCCCCCCCF)CC1CCO1 1458a_200009909015_100000103362 [0,0,1,1,0,0|2,0,0]=4 9553 B17R1.26145 O=C(CCCCCCCCCF)CC1COC1 1458a_200009909015_100010264016 [0,0,1,1,0,0|2,0,0]=4 9554 B17R1.26145 O=C(CCCCCCCCCF)NC1CCC1 11a_100000749019_200009909015 [0,0,1,1,0,0|2,0,0]=4 9555 B17R1.26145 O=C(CCCCCCCCCF)NC1CCC1 240690a_100000749019_200009909015 [0,0,1,1,0,0|2,0,0]=4 9556 B17R1.26145 O=C(CCCCCCCCCF)NC1CCC1 527a_100000749019_200009909015 [0,0,1,1,0,0|2,0,0]=4 9557 B17R1.26145 O=C(CCCCCCCCCO)CC1CCC1 1458a_100000763092_100009813782 [0,0,1,1,0,0|1,0,0]=3 9558 B17R1.26145 O=C(CCCCCCCCCO)CC1COC1 1458a_100000687760_100009813782 [0,0,1,1,0,0|2,0,0]=4 9559 B17R1.26145 O=C(CCCCCCCCCO)NC1CCC1 240690a_100000749019_100000032657 [0,0,1,1,0,0|2,0,0]=4 9560 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCF 11a_100000755817_200009909015 [0,0,1,1,0,0|2,0,0]=4 9561 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCF 240690a_100000755817_200009909015 [0,0,1,1,0,0|2,0,0]=4 9562 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCF 527a_100000755817_200009909015 [0,0,1,1,0,0|2,0,0]=4 9563 B17R1.26147 CC1CCN1C(=O)CCCCCCCCCO 240690a_100000755817_100000032657 [0,0,1,1,0,0|2,0,0]=4 9564 B17R1.26147 CCCCCCCCCCC(=O)C1CCC1=O 1458a_100000210375_100009892977 [0,0,1,1,0,0|1,0,1]=4 9565 B17R1.26147 CCCCCCCCCCC(=O)N1CCC1C 11a_100000755817_100000210375 [0,0,1,1,0,0|1,0,0]=3 9566 B17R1.26147 CCCCCCCCCCC(=O)N1CCC1C 240690a_100000755817_100000210375 [0,0,1,1,0,0|1,0,0]=3 9567 B17R1.26147 CCCCCCCCCCN(C)C1CCC1=O 269982a_100000207566_100009892977 [0,0,1,1,0,0|1,0,0]=3 9568 B17R1.26147 CCCCCCCCCNC(=O)N1CCC1C 2708a_100000212291_100000755817 [0,0,1,1,0,0|2,0,0]=4 9569 B17R1.26147 CCCCCCCCCNC(=O)N1CCC1C 273464a_100000212291_100000755817 [0,0,1,1,0,0|2,0,0]=4 9570 B17R1.26147 CCCCCCCCOCC(=O)N1CCC1C 11a_100000755817_100000759886 [0,0,1,1,0,0|2,0,0]=4 9571 B17R1.26147 CCCCCCCCOCC(=O)N1CCC1C 240690a_100000755817_100000759886 [0,0,1,1,0,0|2,0,0]=4 9572 B17R1.26147 CCCCCCCCOCC(=O)N1CCC1C 527a_100000755817_100000759886 [0,0,1,1,0,0|2,0,0]=4 9573 B17R1.29214 CCCCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210320 [0,0,1,1,0,0|2,0,0]=4 9574 B17R1.29720 CCCCCC1CCCC1N(C)CC(=O)NC 270004a_100000189611_200000198059 [0,0,1,1,0,0|2,0,0]=4 9575 B17R1.29720 CCCCCC1CCCC1N(C)CC(=O)OC 270004a_100000198492_200000198059 [0,0,1,1,0,0|2,0,0]=4 9576 B17R1.29720 CCCCCC1CCCC1N(C)CC(C)CC 270004a_100000753921_200000198059 [0,0,1,1,0,0|2,0,0]=4 9577 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000210414 [0,0,1,1,0,0|1,0,0]=3 9578 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000210414 [0,0,1,1,0,0|1,0,0]=3 9579 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000210414 [0,0,1,1,0,0|1,0,0]=3 9580 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000210414 [0,0,1,1,0,0|1,0,0]=3 9581 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 2708a_100011194316_106832991635 [0,0,1,1,0,0|2,0,0]=4 9582 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 2708a_100102657272_100011194316 [0,0,1,1,0,0|2,0,0]=4 9583 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 273464a_100011194316_100102657272 [0,0,1,1,0,0|2,0,0]=4 9584 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 273464a_100102657272_100011194316 [0,0,1,1,0,0|2,0,0]=4 9585 B17R1.180031 O=C(CO)NC1CCCCCCCCCCC1 240690a_100011194316_100000210174 [0,0,1,1,0,0|2,0,0]=4 9586 B17R1.180031 O=C(CO)NC1CCCCCCCCCCC1 527a_100011194316_100000210174 [0,0,1,1,0,0|2,0,0]=4 9587 B17R1.1291 CCCCCCCCC(=O)CC1CCN(C1)C 1458a_100000210188_200000690779 [0,0,1,1,0,0|1,0,0]=3 9588 B17R1.1291 CCCCCCCCC(=O)NC1CCN(C1)C 1626a_100000744687_100000210188 [0,0,1,1,0,0|2,0,0]=4 9589 B17R1.1291 CCCCCCCCC(=O)NC1CCN(C1)C 240690a_100000744687_100000210188 [0,0,1,1,0,0|2,0,0]=4 9590 B17R1.1291 CCCCCCCCC(=O)NC1CCN(C1)C 527a_100000744687_100000210188 [0,0,1,1,0,0|2,0,0]=4 9591 B17R1.1291 CCCCCCCCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000210188 [0,0,1,1,0,0|2,0,0]=4 9592 B17R1.1291 CCCCCCCCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210188 [0,0,1,1,0,0|2,0,0]=4 9593 B17R1.1291 CCCCCCCCC(C)CN1CC[C@H](C1)C 270004a_100016987628_100011995885 [0,0,1,1,0,0|2,0,0]=4 9594 B17R1.1291 CN1CCC(C1)CC(=O)CCCCCCCO 1458a_100011219782_200000690779 [0,0,1,1,0,0|2,0,0]=4 9595 B17R1.1292 C#CCCCCCCC(=O)CC1CCCCC1 1458a_100000034748_100000211423 [0,0,1,1,0,0|0,0,2]=4 9596 B17R1.1292 C#CCCCCCCC(=O)CC1CCCCC1 1458a_100000211666_100012276617 [0,0,1,1,0,0|0,0,2]=4 9597 B17R1.1292 C=CCCCCCCC(=O)CC1CCCCC1 1458a_100000211666_100011215473 [0,0,1,1,0,0|0,0,2]=4 9598 B17R1.1292 C=CCCCCCCC(=O)CC1CCCCC1 1458a_100011809334_100000211423 [0,0,1,1,0,0|0,0,2]=4 9599 B17R1.1292 CCCCC/C=C/CC(=O)CC1CCCCC1 1458a_100020675968_100000211423 [0,0,1,1,0,0|0,0,2]=4 9600 B17R1.1292 CCCCCC#CCC(=O)CC1CCCCC1 1458a_100000211666_100009816472 [0,0,1,1,0,0|0,0,2]=4 9601 B17R1.1292 CCCCCCC=CC(=O)CC1CCCCC1 1458a_200015324643_100000211423 [0,0,1,1,0,0|0,0,2]=4 9602 B17R1.1292 CCCCCCCCC(=O)C=C1CCCCC1 1458a_100000743792_100000210759 [0,0,1,1,0,0|0,0,2]=4 9603 B17R1.1292 CCCCCCCCC(=O)CC1=CCCCC1 1458a_100000039269_100000210759 [0,0,1,1,0,0|0,0,2]=4 9604 B17R1.1292 CCCCCCCCC(=O)CC1CCCCC1 1458a_100000210188_100000211423 [0,0,1,1,0,0|0,0,0]=2 9605 B17R1.1292 CCCCCCCCC(=O)CC1CCCCC1 1458a_100000211666_100000210759 [0,0,1,1,0,0|0,0,0]=2 9606 B17R1.1292 CCCCCCCCC(=O)CC1CCCCO1 1458a_100000210188_100000211543 [0,0,1,1,0,0|1,0,0]=3 9607 B17R1.1292 CCCCCCCCC(=O)CC1CCCCO1 1458a_100000238585_100000210759 [0,0,1,1,0,0|1,0,0]=3 9608 B17R1.1292 CCCCCCCCC(=O)CC1CCCOC1 1458a_100000210188_100000741521 [0,0,1,1,0,0|1,0,0]=3 9609 B17R1.1292 CCCCCCCCC(=O)CC1CCCOC1 1458a_100000741523_100000210759 [0,0,1,1,0,0|1,0,0]=3 9610 B17R1.1292 CCCCCCCCC(=O)CC1CCOCC1 1458a_100000210188_100000754603 [0,0,1,1,0,0|1,0,0]=3 9611 B17R1.1292 CCCCCCCCC(=O)CC1CCOCC1 1458a_100000757261_100000210759 [0,0,1,1,0,0|1,0,0]=3 9612 B17R1.1292 CCCCCCCCC(=O)CN1CCCCC1 1458a_100000740322_100000210759 [0,0,1,1,0,0|1,0,0]=3 9613 B17R1.1292 CCCCCCCCC(=O)CN1CCOCC1 1458a_100000740321_100000210759 [0,0,1,1,0,0|2,0,0]=4 9614 B17R1.1292 CCCCCCCCC(=O)NC1CCCCC1 11a_100000182618_100000210188 [0,0,1,1,0,0|1,0,0]=3 9615 B17R1.1292 CCCCCCCCC(=O)NC1CCCCC1 1626a_100000182618_100000210188 [0,0,1,1,0,0|1,0,0]=3 9616 B17R1.1292 CCCCCCCCC(=O)NC1CCCCC1 240690a_100000182618_100000210188 [0,0,1,1,0,0|1,0,0]=3 9617 B17R1.1292 CCCCCCCCC(=O)NC1CCCCC1 527a_100000182618_100000210188 [0,0,1,1,0,0|1,0,0]=3 9618 B17R1.1292 CCCCCCCCC(=O)NC1CCCOC1 11a_100000719290_100000210188 [0,0,1,1,0,0|2,0,0]=4 9619 B17R1.1292 CCCCCCCCC(=O)NC1CCCOC1 1626a_100000719290_100000210188 [0,0,1,1,0,0|2,0,0]=4 9620 B17R1.1292 CCCCCCCCC(=O)NC1CCCOC1 240690a_100000719290_100000210188 [0,0,1,1,0,0|2,0,0]=4 9621 B17R1.1292 CCCCCCCCC(=O)NC1CCCOC1 527a_100000719290_100000210188 [0,0,1,1,0,0|2,0,0]=4 9622 B17R1.1292 CCCCCCCCC(=O)NC1CCOCC1 11a_100000741149_100000210188 [0,0,1,1,0,0|2,0,0]=4 9623 B17R1.1292 CCCCCCCCC(=O)NC1CCOCC1 1626a_100000741149_100000210188 [0,0,1,1,0,0|2,0,0]=4 9624 B17R1.1292 CCCCCCCCC(=O)NC1CCOCC1 240690a_100000741149_100000210188 [0,0,1,1,0,0|2,0,0]=4 9625 B17R1.1292 CCCCCCCCC(=O)NC1CCOCC1 527a_100000741149_100000210188 [0,0,1,1,0,0|2,0,0]=4 9626 B17R1.1292 CCCCCCCCC(=O)NC1CCSCC1 11a_100000748639_100000210188 [0,0,1,1,0,0|2,0,0]=4 9627 B17R1.1292 CCCCCCCCC(=O)NC1CCSCC1 1626a_100000748639_100000210188 [0,0,1,1,0,0|2,0,0]=4 9628 B17R1.1292 CCCCCCCCC(=O)NC1CCSCC1 240690a_100000748639_100000210188 [0,0,1,1,0,0|2,0,0]=4 9629 B17R1.1292 CCCCCCCCC(=O)NC1CCSCC1 527a_100000748639_100000210188 [0,0,1,1,0,0|2,0,0]=4 9630 B17R1.1292 CCCCCCCCN(C)CC1CCCCC1 2230a_100000207567_100000211423 [0,0,1,1,0,0|2,0,0]=4 9631 B17R1.1292 CCCCCCCCN(C)CC1CCCCC1 2230a_100000736448_100000210759 [0,0,1,1,0,0|2,0,0]=4 9632 B17R1.1292 CCCCCCCCN(C)CC1CCCCC1 269982a_100000207567_100000211423 [0,0,1,1,0,0|2,0,0]=4 9633 B17R1.1292 CCCCCCCCN(C)CC1CCCCC1 269982a_100000736448_100000210759 [0,0,1,1,0,0|2,0,0]=4 9634 B17R1.1292 CCCCCCCCN(C)CC1CCCCC1 34a_100000736448_100000210759 [0,0,1,1,0,0|2,0,0]=4 9635 B17R1.1292 CCCCCCCNC(=O)CC1CCCCC1 11a_100000229938_100000211666 [0,0,1,1,0,0|1,0,0]=3 9636 B17R1.1292 CCCCCCCNC(=O)CC1CCCCC1 1626a_100000229938_100000211666 [0,0,1,1,0,0|1,0,0]=3 9637 B17R1.1292 CCCCCCCNC(=O)CC1CCCCC1 240690a_100000229938_100000211666 [0,0,1,1,0,0|1,0,0]=3 9638 B17R1.1292 CCCCCCCNC(=O)CC1CCCCC1 527a_100000229938_100000211666 [0,0,1,1,0,0|1,0,0]=3 9639 B17R1.1292 CCCCCCCNC(=O)CC1CCCCO1 11a_100000229938_100000238585 [0,0,1,1,0,0|2,0,0]=4 9640 B17R1.1292 CCCCCCCNC(=O)CC1CCCCO1 1626a_100000229938_100000238585 [0,0,1,1,0,0|2,0,0]=4 9641 B17R1.1292 CCCCCCCNC(=O)CC1CCCCO1 240690a_100000229938_100000238585 [0,0,1,1,0,0|2,0,0]=4 9642 B17R1.1292 CCCCCCCNC(=O)CC1CCCCO1 527a_100000229938_100000238585 [0,0,1,1,0,0|2,0,0]=4 9643 B17R1.1292 CCCCCCCNC(=O)CC1CCCOC1 11a_100000229938_100000741523 [0,0,1,1,0,0|2,0,0]=4 9644 B17R1.1292 CCCCCCCNC(=O)CC1CCCOC1 1626a_100000229938_100000741523 [0,0,1,1,0,0|2,0,0]=4 9645 B17R1.1292 CCCCCCCNC(=O)CC1CCCOC1 240690a_100000229938_100000741523 [0,0,1,1,0,0|2,0,0]=4 9646 B17R1.1292 CCCCCCCNC(=O)CC1CCCOC1 527a_100000229938_100000741523 [0,0,1,1,0,0|2,0,0]=4 9647 B17R1.1292 CCCCCCCNC(=O)CC1CCOCC1 11a_100000229938_100000757261 [0,0,1,1,0,0|2,0,0]=4 9648 B17R1.1292 CCCCCCCNC(=O)CC1CCOCC1 1626a_100000229938_100000757261 [0,0,1,1,0,0|2,0,0]=4 9649 B17R1.1292 CCCCCCCNC(=O)CC1CCOCC1 240690a_100000229938_100000757261 [0,0,1,1,0,0|2,0,0]=4 9650 B17R1.1292 CCCCCCCNC(=O)CC1CCOCC1 527a_100000229938_100000757261 [0,0,1,1,0,0|2,0,0]=4 9651 B17R1.1292 CCCCCCCNC(=O)CN1CCCCC1 11a_100000229938_100000740322 [0,0,1,1,0,0|2,0,0]=4 9652 B17R1.1292 CCCCCCCNC(=O)CN1CCCCC1 240690a_100000229938_100000740322 [0,0,1,1,0,0|2,0,0]=4 9653 B17R1.1292 CCCCCCCNC(=O)CN1CCCCC1 527a_100000229938_100000740322 [0,0,1,1,0,0|2,0,0]=4 9654 B17R1.1292 CCCCCCCNC(=O)NC1CCCCC1 2708a_100000182618_100000229938 [0,0,1,1,0,0|2,0,0]=4 9655 B17R1.1292 CCCCCCCNC(=O)NC1CCCCC1 2708a_100000229938_100000182618 [0,0,1,1,0,0|2,0,0]=4 9656 B17R1.1292 CCCCCCCNC(=O)NC1CCCCC1 273464a_100000182618_100000229938 [0,0,1,1,0,0|2,0,0]=4 9657 B17R1.1292 CCCCCCCNC(=O)NC1CCCCC1 273464a_100000229938_100000182618 [0,0,1,1,0,0|2,0,0]=4 9658 B17R1.1292 CCCCCCNCC(=O)NC1CCCCC1 2230a_100000210581_100000183541 [0,0,1,1,0,0|2,0,0]=4 9659 B17R1.1292 CCCCCCNCC(=O)NC1CCCCC1 2230a_100015207117_100000210314 [0,0,1,1,0,0|2,0,0]=4 9660 B17R1.1292 CCCCCCNCC(=O)OC1CCCCC1 2230a_100000210581_100000041653 [0,0,1,1,0,0|2,0,0]=4 9661 B17R1.1292 CCCCCCOCC(=O)NC1CCCCC1 34a_100000210259_100000183541 [0,0,1,1,0,0|2,0,0]=4 9662 B17R1.1292 CCCCCCOCC(=O)NC1CCCCC1 7a_100000210259_100000183541 [0,0,1,1,0,0|2,0,0]=4 9663 B17R1.1292 CCCCCCOCC(=O)OC1CCCCC1 34a_100000210259_100000041653 [0,0,1,1,0,0|2,0,0]=4 9664 B17R1.1292 CCCCCCOCC(=O)OC1CCCCC1 7a_100000210259_100000041653 [0,0,1,1,0,0|2,0,0]=4 9665 B17R1.1292 CCCCCCSCC(=O)NC1CCCCC1 62a_100000183541_100000210757 [0,0,1,1,0,0|2,0,0]=4 9666 B17R1.1292 CCCCCCSCC(=O)NC1CCCCC1 62a_100000210314_100000183541 [0,0,1,1,0,0|2,0,0]=4 9667 B17R1.1292 CCCCCCSCC(=O)OC1CCCCC1 62a_100000041653_100000210757 [0,0,1,1,0,0|2,0,0]=4 9668 B17R1.1292 CCCCCCSCC(=O)OC1CCCCC1 62a_100000210314_100000041653 [0,0,1,1,0,0|2,0,0]=4 9669 B17R1.1292 CCCCCNCCC(=O)NC1CCCCC1 2230a_100000209983_100000188762 [0,0,1,1,0,0|2,0,0]=4 9670 B17R1.1292 CCCCCNCCC(=O)NC1CCCCC1 2230a_100000743080_100000210326 [0,0,1,1,0,0|2,0,0]=4 9671 B17R1.1292 CCCCCNCCC(=O)NC1CCCCC1 34a_100000743080_100000718602 [0,0,1,1,0,0|2,0,0]=4 9672 B17R1.1292 CCCCCOCCC(=O)NC1CCCCC1 7a_100000210253_100000188762 [0,0,1,1,0,0|2,0,0]=4 9673 B17R1.1292 CCCCCSCCC(=O)NC1CCCCC1 62a_100000188762_100000210326 [0,0,1,1,0,0|2,0,0]=4 9674 B17R1.1292 CCCCCSCCC(=O)NC1CCCCC1 62a_100000210326_100000188762 [0,0,1,1,0,0|2,0,0]=4 9675 B17R1.1292 CCCCSCCNC(=O)CC1CCCCC1 11a_100025743550_100000211666 [0,0,1,1,0,0|2,0,0]=4 9676 B17R1.1292 CCCCSCCNC(=O)CC1CCCCC1 1626a_100025743550_100000211666 [0,0,1,1,0,0|2,0,0]=4 9677 B17R1.1292 CCCCSCCNC(=O)CC1CCCCC1 240690a_100025743550_100000211666 [0,0,1,1,0,0|2,0,0]=4 9678 B17R1.1292 CCCCSCCNC(=O)CC1CCCCC1 527a_100025743550_100000211666 [0,0,1,1,0,0|2,0,0]=4 9679 B17R1.1292 CCCOCCCNC(=O)CC1CCCCC1 1626a_100011217757_100000211666 [0,0,1,1,0,0|2,0,0]=4 9680 B17R1.1292 CCCOCCCNC(=O)CC1CCCCC1 240690a_100011217757_100000211666 [0,0,1,1,0,0|2,0,0]=4 9681 B17R1.1292 CCCOCCCNC(=O)CC1CCCCC1 527a_100011217757_100000211666 [0,0,1,1,0,0|2,0,0]=4 9682 B17R1.1292 CCOCCOCCC(=O)CC1CCCCC1 1458a_100000211666_100011211534 [0,0,1,1,0,0|2,0,0]=4 9683 B17R1.1292 COCCCCCCC(=O)CC1CCCCC1 1458a_100000211666_100011998445 [0,0,1,1,0,0|1,0,0]=3 9684 B17R1.1292 COCCCCCCC(=O)CC1CCCCO1 1458a_100000238585_100011998445 [0,0,1,1,0,0|2,0,0]=4 9685 B17R1.1292 COCCCCCCC(=O)CC1CCCOC1 1458a_100000741523_100011998445 [0,0,1,1,0,0|2,0,0]=4 9686 B17R1.1292 COCCCCCCC(=O)CC1CCOCC1 1458a_100000757261_100011998445 [0,0,1,1,0,0|2,0,0]=4 9687 B17R1.1292 COCCCCCCC(=O)CN1CCCCC1 1458a_100000740322_100011998445 [0,0,1,1,0,0|2,0,0]=4 9688 B17R1.1292 COCCCCCNC(=O)CC1CCCCC1 11a_100000747528_100000211666 [0,0,1,1,0,0|2,0,0]=4 9689 B17R1.1292 COCCCCCNC(=O)CC1CCCCC1 1626a_100000747528_100000211666 [0,0,1,1,0,0|2,0,0]=4 9690 B17R1.1292 COCCCCCNC(=O)CC1CCCCC1 240690a_100000747528_100000211666 [0,0,1,1,0,0|2,0,0]=4 9691 B17R1.1292 COCCCCCNC(=O)CC1CCCCC1 527a_100000747528_100000211666 [0,0,1,1,0,0|2,0,0]=4 9692 B17R1.1292 COCCOCCCC(=O)CC1CCCCC1 1458a_100000211666_100011216529 [0,0,1,1,0,0|2,0,0]=4 9693 B17R1.1292 N#CCCCCCCC(=O)CC1CCCCC1 1458a_100000211666_100009813337 [0,0,1,1,0,0|1,0,1]=4 9694 B17R1.1292 O=C(CC1CCCCC1)NCCCCCCO 240690a_100000686447_100000211666 [0,0,1,1,0,0|2,0,0]=4 9695 B17R1.1292 O=C(CC1CCCCC1)NCCCCCCO 527a_100000686447_100000211666 [0,0,1,1,0,0|2,0,0]=4 9696 B17R1.1292 O=C(CCCCCCCO)CC1CCCCC1 1458a_100000211666_100000760002 [0,0,1,1,0,0|1,0,0]=3 9697 B17R1.1292 O=C(CCCCCCCO)CC1CCCCC1 1458a_100011219782_100000211423 [0,0,1,1,0,0|1,0,0]=3 9698 B17R1.1292 O=C(CCCCCCCO)CC1CCCCO1 1458a_100000238585_100000760002 [0,0,1,1,0,0|2,0,0]=4 9699 B17R1.1292 O=C(CCCCCCCO)CC1CCCCO1 1458a_100011219782_100000211543 [0,0,1,1,0,0|2,0,0]=4 9700 B17R1.1292 O=C(CCCCCCCO)CC1CCCOC1 1458a_100000741523_100000760002 [0,0,1,1,0,0|2,0,0]=4 9701 B17R1.1292 O=C(CCCCCCCO)CC1CCCOC1 1458a_100011219782_100000741521 [0,0,1,1,0,0|2,0,0]=4 9702 B17R1.1292 O=C(CCCCCCCO)CC1CCOCC1 1458a_100000757261_100000760002 [0,0,1,1,0,0|2,0,0]=4 9703 B17R1.1292 O=C(CCCCCCCO)CC1CCOCC1 1458a_100011219782_100000754603 [0,0,1,1,0,0|2,0,0]=4 9704 B17R1.1292 O=C(CCCCCCCO)CN1CCCCC1 1458a_100000740322_100000760002 [0,0,1,1,0,0|2,0,0]=4 9705 B17R1.1292 O=C(CCCCCCCO)NC1CCCCC1 240690a_100000182618_100011219782 [0,0,1,1,0,0|2,0,0]=4 9706 B17R1.4937 CCCCC(C)NC(=O)CCC1CCCCC1 11a_100000126638_100000211375 [0,0,1,1,0,0|1,0,0]=3 9707 B17R1.4937 CCCCC(C)NC(=O)CCC1CCCCC1 1626a_100000126638_100000211375 [0,0,1,1,0,0|1,0,0]=3 9708 B17R1.4937 CCCCC(C)NC(=O)CCC1CCCCC1 240690a_100000126638_100000211375 [0,0,1,1,0,0|1,0,0]=3 9709 B17R1.4937 CCCCC(C)NC(=O)CCC1CCCCC1 527a_100000126638_100000211375 [0,0,1,1,0,0|1,0,0]=3 9710 B17R1.4937 CCCCC(C)NC(=O)CCN1CCCCC1 240690a_100000126638_100000743487 [0,0,1,1,0,0|2,0,0]=4 9711 B17R1.4937 CCCCC(C)NC(=O)COC1CCCCC1 11a_100000126638_100011223303 [0,0,1,1,0,0|2,0,0]=4 9712 B17R1.4937 CCCCC(C)NC(=O)COC1CCCCC1 1626a_100000126638_100011223303 [0,0,1,1,0,0|2,0,0]=4 9713 B17R1.4937 CCCCC(C)NC(=O)COC1CCCCC1 240690a_100000126638_100011223303 [0,0,1,1,0,0|2,0,0]=4 9714 B17R1.4937 CCCCC(C)NC(=O)COC1CCCCC1 527a_100000126638_100011223303 [0,0,1,1,0,0|2,0,0]=4 9715 B17R1.4937 CCCCC(C)NC(=O)NCC1CCCCC1 2708a_100000126638_100000210473 [0,0,1,1,0,0|2,0,0]=4 9716 B17R1.4937 CCCCC(C)NC(=O)NCC1CCCCC1 2708a_100000210473_100000126638 [0,0,1,1,0,0|2,0,0]=4 9717 B17R1.4937 CCCCC(C)NC(=O)NCC1CCCCC1 273464a_100000126638_100000210473 [0,0,1,1,0,0|2,0,0]=4 9718 B17R1.4937 CCCCC(C)NC(=O)NCC1CCCCC1 273464a_100000210473_100000126638 [0,0,1,1,0,0|2,0,0]=4 9719 B17R1.4937 CCCCC(C)NC(=O)NCC1CCCCC1 512a_100000126638_100000210473 [0,0,1,1,0,0|2,0,0]=4 9720 B17R1.4937 CCCCN(C)CC(=O)NCC1CCCCC1 2230a_100000207549_100000183341 [0,0,1,1,0,0|2,0,0]=4 9721 B17R1.4937 CCCCN(C)CC(=O)NCC1CCCCC1 269982a_100000207549_100000183341 [0,0,1,1,0,0|2,0,0]=4 9722 B17R1.4937 CCCNC(=O)CN(C)CCC1CCCCC1 2230a_100000684209_100012355289 [0,0,1,1,0,0|2,0,0]=4 9723 B17R1.4937 CCCNC(=O)CN(C)CCC1CCCCC1 269982a_100000684209_100011273959 [0,0,1,1,0,0|2,0,0]=4 9724 B17R1.4937 CCCNC(=O)CN(C)CCC1CCCCC1 270004a_100000684209_100011713444 [0,0,1,1,0,0|2,0,0]=4 9725 B17R1.6947 C#CCCCCCCC(=O)C1CCCCC1C 1458a_100011215568_100012276617 [0,0,1,1,0,0|0,0,2]=4 9726 B17R1.6947 C=CCCCCCCC(=O)C1CCCCC1C 1458a_100011215568_100011215473 [0,0,1,1,0,0|0,0,2]=4 9727 B17R1.6947 CC1CCCCC1C(=O)CCCCCCC#N 1458a_100011215568_100009813337 [0,0,1,1,0,0|1,0,1]=4 9728 B17R1.6947 CC1CCCCC1C(=O)CCCCCCCO 1458a_100011215568_100000760002 [0,0,1,1,0,0|1,0,0]=3 9729 B17R1.6947 CC1CCCCC1C(=O)NCCCCCCO 240690a_100000686447_100011215568 [0,0,1,1,0,0|2,0,0]=4 9730 B17R1.6947 CC1CCCCC1C(=O)NCCCCCCO 527a_100000686447_100011215568 [0,0,1,1,0,0|2,0,0]=4 9731 B17R1.6947 CC1CCCCN1C(=O)CCCCCCCO 240690a_100000211376_100011219782 [0,0,1,1,0,0|2,0,0]=4 9732 B17R1.6947 CCCCCC#CCC(=O)C1CCCCC1C 1458a_100011215568_100009816472 [0,0,1,1,0,0|0,0,2]=4 9733 B17R1.6947 CCCCCCCCC(=O)C1CCCCC1=O 1458a_100000210188_100000204591 [0,0,1,1,0,0|1,0,1]=4 9734 B17R1.6947 CCCCCCCCC(=O)C1CCCCC1C 1458a_100011215568_100000210759 [0,0,1,1,0,0|0,0,0]=2 9735 B17R1.6947 CCCCCCCCC(=O)C1CCCCC1O 1458a_100011803323_100000210759 [0,0,1,1,0,0|1,0,0]=3 9736 B17R1.6947 CCCCCCCCC(=O)N1CCCCC1C 11a_100000211376_100000210188 [0,0,1,1,0,0|1,0,0]=3 9737 B17R1.6947 CCCCCCCCC(=O)N1CCCCC1C 1626a_100000211376_100000210188 [0,0,1,1,0,0|1,0,0]=3 9738 B17R1.6947 CCCCCCCCC(=O)N1CCCCC1C 240690a_100000211376_100000210188 [0,0,1,1,0,0|1,0,0]=3 9739 B17R1.6947 CCCCCCCCC(=O)N1CCCCC1C 527a_100000211376_100000210188 [0,0,1,1,0,0|1,0,0]=3 9740 B17R1.6947 CCCCCCCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210188 [0,0,1,1,0,0|2,0,0]=4 9741 B17R1.6947 CCCCCCCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210188 [0,0,1,1,0,0|2,0,0]=4 9742 B17R1.6947 CCCCCCCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210188 [0,0,1,1,0,0|2,0,0]=4 9743 B17R1.6947 CCCCCCCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210759 [0,0,1,1,0,0|1,0,0]=3 9744 B17R1.6947 CCCCCCCCN(C)C1CCCCC1=O 269982a_100000207567_100000204591 [0,0,1,1,0,0|1,0,0]=3 9745 B17R1.6947 CCCCCCCCN(C)C1CCCCC1C 270004a_100000207567_100000210921 [0,0,1,1,0,0|2,0,0]=4 9746 B17R1.6947 CCCCCCCCN(C)C1CCCNC1=O 2230a_100000207567_100000687798 [0,0,1,1,0,0|2,0,0]=4 9747 B17R1.6947 CCCCCCCCN(C)C1CCCNC1=O 269982a_100000207567_100000687798 [0,0,1,1,0,0|2,0,0]=4 9748 B17R1.6947 CCCCCCCNC(=O)C1CCCCC1C 11a_100000229938_100011215568 [0,0,1,1,0,0|1,0,0]=3 9749 B17R1.6947 CCCCCCCNC(=O)C1CCCCC1C 1626a_100000229938_100011215568 [0,0,1,1,0,0|1,0,0]=3 9750 B17R1.6947 CCCCCCCNC(=O)C1CCCCC1C 240690a_100000229938_100011215568 [0,0,1,1,0,0|1,0,0]=3 9751 B17R1.6947 CCCCCCCNC(=O)C1CCCCC1C 527a_100000229938_100011215568 [0,0,1,1,0,0|1,0,0]=3 9752 B17R1.6947 CCCCCCCNC(=O)N1CCCCC1C 2708a_100000229938_100000211376 [0,0,1,1,0,0|2,0,0]=4 9753 B17R1.6947 CCCCCCCNC(=O)N1CCCCC1C 273464a_100000229938_100000211376 [0,0,1,1,0,0|2,0,0]=4 9754 B17R1.6947 CCCCCCCNC(=O)[C@H]1CCCCN1C 11a_100000229938_100000767060 [0,0,1,1,0,0|2,0,0]=4 9755 B17R1.6947 CCCCCCCNC(=O)[C@H]1CCCCN1C 1626a_100000229938_100000767060 [0,0,1,1,0,0|2,0,0]=4 9756 B17R1.6947 CCCCCCCNC(=O)[C@H]1CCCCN1C 240690a_100000229938_100000767060 [0,0,1,1,0,0|2,0,0]=4 9757 B17R1.6947 CCCCCCCNC(=O)[C@H]1CCCCN1C 527a_100000229938_100000767060 [0,0,1,1,0,0|2,0,0]=4 9758 B17R1.6947 CCCCCCNCC(=O)N1CCCCC1C 2230a_100000210581_100000182743 [0,0,1,1,0,0|2,0,0]=4 9759 B17R1.6947 CCCCCCOCC(=O)N1CCCCC1C 34a_100000210259_100000182743 [0,0,1,1,0,0|2,0,0]=4 9760 B17R1.6947 CCCCCCOCC(=O)N1CCCCC1C 7a_100000210259_100000182743 [0,0,1,1,0,0|2,0,0]=4 9761 B17R1.6947 CCCCCCSCC(=O)N1CCCCC1C 62a_100000182743_100000210757 [0,0,1,1,0,0|2,0,0]=4 9762 B17R1.6947 CCCCCCSCC(=O)N1CCCCC1C 62a_100000210314_100000182743 [0,0,1,1,0,0|2,0,0]=4 9763 B17R1.6947 CCCCCNCCC(=O)N1CCCCC1C 34a_100025749213_100000718602 [0,0,1,1,0,0|2,0,0]=4 9764 B17R1.6947 CCCCSCCNC(=O)C1CCCCC1C 11a_100025743550_100011215568 [0,0,1,1,0,0|2,0,0]=4 9765 B17R1.6947 CCCCSCCNC(=O)C1CCCCC1C 1626a_100025743550_100011215568 [0,0,1,1,0,0|2,0,0]=4 9766 B17R1.6947 CCCCSCCNC(=O)C1CCCCC1C 240690a_100025743550_100011215568 [0,0,1,1,0,0|2,0,0]=4 9767 B17R1.6947 CCCCSCCNC(=O)C1CCCCC1C 527a_100025743550_100011215568 [0,0,1,1,0,0|2,0,0]=4 9768 B17R1.6947 CCCOCCCNC(=O)C1CCCCC1C 1626a_100011217757_100011215568 [0,0,1,1,0,0|2,0,0]=4 9769 B17R1.6947 CCCOCCCNC(=O)C1CCCCC1C 240690a_100011217757_100011215568 [0,0,1,1,0,0|2,0,0]=4 9770 B17R1.6947 CCCOCCCNC(=O)C1CCCCC1C 527a_100011217757_100011215568 [0,0,1,1,0,0|2,0,0]=4 9771 B17R1.6947 CCOCCOCCC(=O)C1CCCCC1C 1458a_100011215568_100011211534 [0,0,1,1,0,0|2,0,0]=4 9772 B17R1.6947 CN1CCCC[C@@H]1C(=O)CCCCCCCO 1458a_100000767060_100000760002 [0,0,1,1,0,0|2,0,0]=4 9773 B17R1.6947 COCCCCCCC(=O)C1CCCCC1C 1458a_100011215568_100011998445 [0,0,1,1,0,0|1,0,0]=3 9774 B17R1.6947 COCCCCCCC(=O)C1CCCCC1O 1458a_100011803323_100011998445 [0,0,1,1,0,0|2,0,0]=4 9775 B17R1.6947 COCCCCCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100011998445 [0,0,1,1,0,0|2,0,0]=4 9776 B17R1.6947 COCCCCCNC(=O)C1CCCCC1C 11a_100000747528_100011215568 [0,0,1,1,0,0|2,0,0]=4 9777 B17R1.6947 COCCCCCNC(=O)C1CCCCC1C 1626a_100000747528_100011215568 [0,0,1,1,0,0|2,0,0]=4 9778 B17R1.6947 COCCCCCNC(=O)C1CCCCC1C 240690a_100000747528_100011215568 [0,0,1,1,0,0|2,0,0]=4 9779 B17R1.6947 COCCCCCNC(=O)C1CCCCC1C 527a_100000747528_100011215568 [0,0,1,1,0,0|2,0,0]=4 9780 B17R1.6947 COCCOCCCC(=O)C1CCCCC1C 1458a_100011215568_100011216529 [0,0,1,1,0,0|2,0,0]=4 9781 B17R1.6947 O=C(CCCCCCCO)C1CCCCC1O 1458a_100011803323_100000760002 [0,0,1,1,0,0|2,0,0]=4 9782 B17R1.8453 CCCCC(C)NC(=O)C1CCCCCN1C 240690a_100000126638_100015187800 [0,0,1,1,0,0|2,0,0]=4 9783 B17R1.8453 CCCCC(C)NC(=O)C1CCCCCN1C 527a_100000126638_100015187800 [0,0,1,1,0,0|2,0,0]=4 9784 B17R1.8454 CCCCC(C)NC(=O)C1CCCCN1CC 11a_100000126638_100000743832 [0,0,1,1,0,0|2,0,0]=4 9785 B17R1.8454 CCCCC(C)NC(=O)C1CCCCN1CC 240690a_100000126638_100000743832 [0,0,1,1,0,0|2,0,0]=4 9786 B17R1.8454 CCCCC(C)NC(=O)C1CCCCN1CC 527a_100000126638_100000743832 [0,0,1,1,0,0|2,0,0]=4 9787 B17R1.8454 CCCCC(C)NC(=O)N1CCCCC1CC 2708a_100000126638_100000210034 [0,0,1,1,0,0|2,0,0]=4 9788 B17R1.8454 CCCCC(C)NC(=O)N1CCCCC1CC 273464a_100000126638_100000210034 [0,0,1,1,0,0|2,0,0]=4 9789 B17R1.8454 CCCCN(C)CC(=O)N1CCCCC1CC 2230a_100000207549_100000183412 [0,0,1,1,0,0|2,0,0]=4 9790 B17R1.8454 CCCCN(C)CC(=O)N1CCCCC1CC 269982a_100000207549_100000183412 [0,0,1,1,0,0|2,0,0]=4 9791 B17R1.8454 CCCNC(=O)CN(C)C1CCCCC1CC 270004a_100000684209_100000757040 [0,0,1,1,0,0|2,0,0]=4 9792 B17R1.8458 CCCNC(=O)CN(C)C1CCCC1CCC 270004a_100000684209_100000723119 [0,0,1,1,0,0|2,0,0]=4 9793 B17R1.8461 CCCCC(C)NC(=O)NC1CCCCC1C 2708a_100000126638_100000211402 [0,0,1,1,0,0|2,0,0]=4 9794 B17R1.8461 CCCCC(C)NC(=O)NC1CCCCC1C 2708a_100000211402_100000126638 [0,0,1,1,0,0|2,0,0]=4 9795 B17R1.8461 CCCCC(C)NC(=O)NC1CCCCC1C 273464a_100000126638_100000211402 [0,0,1,1,0,0|2,0,0]=4 9796 B17R1.8461 CCCCC(C)NC(=O)NC1CCCCC1C 273464a_100000211402_100000126638 [0,0,1,1,0,0|2,0,0]=4 9797 B17R1.8461 CCCCC(C)NC(=O)NC1CCCCC1C 512a_100000126638_100000211402 [0,0,1,1,0,0|2,0,0]=4 9798 B17R1.8461 CCCCC(C)NC(=O)NC1CCCCC1C 512a_100000211402_100000126638 [0,0,1,1,0,0|2,0,0]=4 9799 B17R1.8461 CCCCN(C)CC(=O)NC1CCCCC1C 2230a_100000207549_100000182742 [0,0,1,1,0,0|2,0,0]=4 9800 B17R1.8461 CCCCN(C)CC(=O)NC1CCCCC1C 269982a_100000207549_100000182742 [0,0,1,1,0,0|2,0,0]=4 9801 B17R1.29196 CC(NC(=O)CCCCCCCO)C1CCC1 240690a_100016994624_100011219782 [0,0,1,1,0,0|2,0,0]=4 9802 B17R1.29196 CCCCCCCCC(=O)CC(=O)C1CCC1 1458a_100000210188_100000686122 [0,0,1,1,0,0|1,0,1]=4 9803 B17R1.29196 CCCCCCCCC(=O)NC(C)C1CCC1 11a_100016994624_100000210188 [0,0,1,1,0,0|1,0,0]=3 9804 B17R1.29196 CCCCCCCCC(=O)NC(C)C1CCC1 1626a_100016994624_100000210188 [0,0,1,1,0,0|1,0,0]=3 9805 B17R1.29196 CCCCCCCCC(=O)NC(C)C1CCC1 240690a_100016994624_100000210188 [0,0,1,1,0,0|1,0,0]=3 9806 B17R1.29196 CCCCCCCCC(=O)NC(C)C1CCC1 527a_100016994624_100000210188 [0,0,1,1,0,0|1,0,0]=3 9807 B17R1.29196 CCCCCCCCC(C)CN(C)C1CCC1 270004a_100000758072_100011995885 [0,0,1,1,0,0|2,0,0]=4 9808 B17R1.29196 CCCCCCCCN(C)CC(=O)C1CCC1 2230a_100000207567_100000686122 [0,0,1,1,0,0|1,0,0]=3 9809 B17R1.29196 CCCCCCCCN(C)CC(=O)C1CCC1 269982a_100000207567_100000686122 [0,0,1,1,0,0|1,0,0]=3 9810 B17R1.29196 CCCCCCCCN(C)CC(=O)N1CCC1 2230a_100000207567_100000185095 [0,0,1,1,0,0|2,0,0]=4 9811 B17R1.29196 CCCCCCCCN(C)CC(=O)N1CCC1 269982a_100000207567_100000185095 [0,0,1,1,0,0|2,0,0]=4 9812 B17R1.29196 CCCCCCCNC(=O)NC(C)C1CCC1 2708a_100000229938_100016994624 [0,0,1,1,0,0|2,0,0]=4 9813 B17R1.29196 CCCCCCCNC(=O)NC(C)C1CCC1 2708a_100016994624_100000229938 [0,0,1,1,0,0|2,0,0]=4 9814 B17R1.29196 CCCCCCCNC(=O)NC(C)C1CCC1 273464a_100000229938_100016994624 [0,0,1,1,0,0|2,0,0]=4 9815 B17R1.29196 CCCCCCCNC(=O)NC(C)C1CCC1 273464a_100016994624_100000229938 [0,0,1,1,0,0|2,0,0]=4 9816 B17R1.29196 CCCCCCCNC(=O)NC(C)C1CCC1 512a_100000229938_100016994624 [0,0,1,1,0,0|2,0,0]=4 9817 B17R1.29196 CCCCCCCNC(=O)NC(C)C1CCC1 512a_100016994624_100000229938 [0,0,1,1,0,0|2,0,0]=4 9818 B17R1.29198 CCCCCCCCC(=O)CS(=O)CC1CC1 1458a_100011387478_100000210759 [0,0,1,1,0,0|2,0,0]=4 9819 B17R1.29198 CCCCCCCCC(C)CN(C)CC1CC1 270004a_100000741881_100011995885 [0,0,1,1,0,0|2,0,0]=4 9820 B17R1.29198 CCCCCCCCN(C)CC(=O)NC1CC1 2230a_100000207567_100000182950 [0,0,1,1,0,0|2,0,0]=4 9821 B17R1.29198 CCCCCCCCN(C)CC(=O)NC1CC1 269982a_100000207567_100000182950 [0,0,1,1,0,0|2,0,0]=4 9822 B17R1.30517 CCCCC(C)NC(=O)CCCN1CCCC1 240690a_100000126638_100000743284 [0,0,1,1,0,0|2,0,0]=4 9823 B17R1.30517 CCCCC(C)NC(=O)NCCC1CCCC1 2708a_100000126638_100000739158 [0,0,1,1,0,0|2,0,0]=4 9824 B17R1.30517 CCCCC(C)NC(=O)NCCC1CCCC1 2708a_100000739158_100000126638 [0,0,1,1,0,0|2,0,0]=4 9825 B17R1.30517 CCCCC(C)NC(=O)NCCC1CCCC1 273464a_100000126638_100000739158 [0,0,1,1,0,0|2,0,0]=4 9826 B17R1.30517 CCCCC(C)NC(=O)NCCC1CCCC1 273464a_100000739158_100000126638 [0,0,1,1,0,0|2,0,0]=4 9827 B17R1.30517 CCCCC(C)NC(=O)NCCC1CCCC1 512a_100000126638_100000739158 [0,0,1,1,0,0|2,0,0]=4 9828 B17R1.30517 CCCCC(C)NC(=O)NCCC1CCCC1 512a_100000739158_100000126638 [0,0,1,1,0,0|2,0,0]=4 9829 B17R1.30517 CCCNC(=O)CN(C)CCCC1CCCC1 2230a_100000684209_100011713738 [0,0,1,1,0,0|2,0,0]=4 9830 B17R1.30517 CCCNC(=O)CN(C)CCCC1CCCC1 2230a_100015186261_100000183358 [0,0,1,1,0,0|2,0,0]=4 9831 B17R1.30517 CCCNC(=O)CN(C)CCCC1CCCC1 269982a_100000684209_100011713738 [0,0,1,1,0,0|2,0,0]=4 9832 B17R1.30517 CCCNC(=O)CN(C)CCCC1CCCC1 269982a_100015186261_100000183358 [0,0,1,1,0,0|2,0,0]=4 9833 B17R1.30517 CCCNC(=O)CN(C)CCCC1CCCC1 34a_100015186261_100000183358 [0,0,1,1,0,0|2,0,0]=4 9834 B17R1.30517 CCCOC(=O)CN(C)CCCC1CCCC1 2230a_100015186261_200011215008 [0,0,1,1,0,0|2,0,0]=4 9835 B17R1.30517 CCCOC(=O)CN(C)CCCC1CCCC1 269982a_100015186261_200011215008 [0,0,1,1,0,0|2,0,0]=4 9836 B17R1.30517 CCCOC(=O)CN(C)CCCC1CCCC1 34a_100015186261_200011215008 [0,0,1,1,0,0|2,0,0]=4 9837 B17R1.51099 CC1CCC(N1C(=O)CCCCCCCO)C 240690a_100000687148_100011219782 [0,0,1,1,0,0|2,0,0]=4 9838 B17R1.51099 CCCCCCCCC(=O)N1C(CCC1C)C 11a_100000687148_100000210188 [0,0,1,1,0,0|1,0,0]=3 9839 B17R1.51099 CCCCCCCCC(=O)N1C(CCC1C)C 240690a_100000687148_100000210188 [0,0,1,1,0,0|1,0,0]=3 9840 B17R1.51099 CCCCCCCCC(=O)N1C(CCC1C)C 527a_100000687148_100000210188 [0,0,1,1,0,0|1,0,0]=3 9841 B17R1.51099 CCCCCCCNC(=O)N1C(CCC1C)C 2708a_100000229938_100000687148 [0,0,1,1,0,0|2,0,0]=4 9842 B17R1.51099 CCCCCCCNC(=O)N1C(CCC1C)C 273464a_100000229938_100000687148 [0,0,1,1,0,0|2,0,0]=4 9843 B17R1.51131 CCCCCCCCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210759 [0,0,1,1,0,0|2,0,0]=4 9844 B17R1.51131 CCCCCCCCC(=O)NC1(CCOC1)C 11a_100000693475_100000210188 [0,0,1,1,0,0|2,0,0]=4 9845 B17R1.51131 CCCCCCCCC(=O)NC1(CCOC1)C 1626a_100000693475_100000210188 [0,0,1,1,0,0|2,0,0]=4 9846 B17R1.51131 CCCCCCCCC(=O)NC1(CCOC1)C 240690a_100000693475_100000210188 [0,0,1,1,0,0|2,0,0]=4 9847 B17R1.51131 CCCCCCCCC(=O)NC1(CCOC1)C 527a_100000693475_100000210188 [0,0,1,1,0,0|2,0,0]=4 9848 B17R1.51134 CCCCCCCCC(=O)NC1CC(C1)CO 240690a_100000095622_100000210188 [0,0,1,1,0,0|2,0,0]=4 9849 B17R1.51134 CCCCCCCCC(=O)NC1CC(C1)CO 527a_100000095622_100000210188 [0,0,1,1,0,0|2,0,0]=4 9850 B17R1.51134 CCCCCCCCC(=O)NC1CN(C1)CC 11a_200015199589_100000210188 [0,0,1,1,0,0|2,0,0]=4 9851 B17R1.51134 CCCCCCCCC(=O)NC1CN(C1)CC 1626a_200015199589_100000210188 [0,0,1,1,0,0|2,0,0]=4 9852 B17R1.51134 CCCCCCCCC(=O)NC1CN(C1)CC 240690a_200015199589_100000210188 [0,0,1,1,0,0|2,0,0]=4 9853 B17R1.51134 CCCCCCCCC(=O)N[C@H]1C[C@@H](C1)OC 11a_100121570643_100000210188 [0,0,1,1,0,0|2,0,0]=4 9854 B17R1.51134 CCCCCCCCC(=O)N[C@H]1C[C@@H](C1)OC 1626a_100121570643_100000210188 [0,0,1,1,0,0|2,0,0]=4 9855 B17R1.51134 CCCCCCCCC(=O)N[C@H]1C[C@@H](C1)OC 240690a_100121570643_100000210188 [0,0,1,1,0,0|2,0,0]=4 9856 B17R1.51134 CCCCCCCCC(=O)N[C@H]1C[C@@H](C1)OC 527a_100121570643_100000210188 [0,0,1,1,0,0|2,0,0]=4 9857 B17R1.51134 CCCCCCCCC(C)CN1CC(C1)CC 270004a_100015205115_100011995885 [0,0,1,1,0,0|2,0,0]=4 9858 B17R1.62367 CCCCC(C)NC(=O)N1CCCCCCC1 2708a_100000126638_100000211400 [0,0,1,1,0,0|2,0,0]=4 9859 B17R1.62367 CCCCC(C)NC(=O)N1CCCCCCC1 273464a_100000126638_100000211400 [0,0,1,1,0,0|2,0,0]=4 9860 B17R1.62367 CCCCN(C)CC(=O)N1CCCCCCC1 2230a_100000207549_100000230191 [0,0,1,1,0,0|2,0,0]=4 9861 B17R1.62367 CCCCN(C)CC(=O)N1CCCCCCC1 269982a_100000207549_100000230191 [0,0,1,1,0,0|2,0,0]=4 9862 B17R1.62367 CCCNC(=O)CN(C)C1CCCCCCC1 270004a_100000684209_100000210524 [0,0,1,1,0,0|2,0,0]=4 9863 B17R1.62485 CCCCC(C)NC(=O)CC1CCCCCC1 11a_100000126638_100000685095 [0,0,1,1,0,0|1,0,0]=3 9864 B17R1.62485 CCCCC(C)NC(=O)CC1CCCCCC1 1626a_100000126638_100000685095 [0,0,1,1,0,0|1,0,0]=3 9865 B17R1.62485 CCCCC(C)NC(=O)CC1CCCCCC1 240690a_100000126638_100000685095 [0,0,1,1,0,0|1,0,0]=3 9866 B17R1.62485 CCCCC(C)NC(=O)CC1CCCCCC1 527a_100000126638_100000685095 [0,0,1,1,0,0|1,0,0]=3 9867 B17R1.62485 CCCCC(C)NC(=O)CN1CCCCCC1 11a_100000126638_100000740298 [0,0,1,1,0,0|2,0,0]=4 9868 B17R1.62485 CCCCC(C)NC(=O)CN1CCCCCC1 240690a_100000126638_100000740298 [0,0,1,1,0,0|2,0,0]=4 9869 B17R1.62485 CCCCC(C)NC(=O)CN1CCCCCC1 527a_100000126638_100000740298 [0,0,1,1,0,0|2,0,0]=4 9870 B17R1.62485 CCCCC(C)NC(=O)NC1CCCCCC1 2708a_100000126638_100000210984 [0,0,1,1,0,0|2,0,0]=4 9871 B17R1.62485 CCCCC(C)NC(=O)NC1CCCCCC1 2708a_100000210984_100000126638 [0,0,1,1,0,0|2,0,0]=4 9872 B17R1.62485 CCCCC(C)NC(=O)NC1CCCCCC1 273464a_100000126638_100000210984 [0,0,1,1,0,0|2,0,0]=4 9873 B17R1.62485 CCCCC(C)NC(=O)NC1CCCCCC1 273464a_100000210984_100000126638 [0,0,1,1,0,0|2,0,0]=4 9874 B17R1.62485 CCCCC(C)NC(=O)NC1CCCCCC1 512a_100000126638_100000210984 [0,0,1,1,0,0|2,0,0]=4 9875 B17R1.62485 CCCCN(C)CC(=O)NC1CCCCCC1 2230a_100000207549_100000183474 [0,0,1,1,0,0|2,0,0]=4 9876 B17R1.62485 CCCCN(C)CC(=O)NC1CCCCCC1 269982a_100000207549_100000183474 [0,0,1,1,0,0|2,0,0]=4 9877 B17R1.62485 CCCNC(=O)CN(C)CC1CCCCCC1 2230a_100000684209_200000696569 [0,0,1,1,0,0|2,0,0]=4 9878 B17R1.62485 CCCNC(=O)CN(C)CC1CCCCCC1 269982a_100000684209_200000696569 [0,0,1,1,0,0|2,0,0]=4 9879 B17R1.166567 CCCCCCCNC1CC(=O)N(C1)CCC 2230a_100015185084_100000210681 [0,0,1,1,0,0|2,0,0]=4 9880 B17R1.166567 CCCCCCCNC1CC(=O)N(C1)CCC 34a_100015185084_100000210614 [0,0,1,1,0,0|2,0,0]=4 9881 B17R1.745 C#CCCCCCC(=O)CC1CCCC(C1)C 1458a_100000748788_100012094781 [0,0,1,1,0,0|0,0,2]=4 9882 B17R1.745 C=CCCCCCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000700193 [0,0,1,1,0,0|0,0,2]=4 9883 B17R1.745 CC1CCCC(C1)CC(=O)CCCCCC#N 1458a_100000748788_100009813376 [0,0,1,1,0,0|1,0,1]=4 9884 B17R1.745 CC1CCCC(C1)CC(=O)CCCCCCF 1458a_100000748788_100015922095 [0,0,1,1,0,0|1,0,0]=3 9885 B17R1.745 CC1CCCC(C1)CC(=O)CCCCCCO 1458a_100000748788_100000766143 [0,0,1,1,0,0|1,0,0]=3 9886 B17R1.745 CC1CCCC(C1)CC(=O)NCCCCCO 240690a_100000762737_100000748788 [0,0,1,1,0,0|2,0,0]=4 9887 B17R1.745 CC1CCCC(C1)NC(=O)CCCCCCO 240690a_100011194320_100011996774 [0,0,1,1,0,0|2,0,0]=4 9888 B17R1.745 CCCCCCCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210614 [0,0,1,1,0,0|0,0,0]=2 9889 B17R1.745 CCCCCCCC(=O)CC1CCCN(C1)C 1458a_100000211969_100015183302 [0,0,1,1,0,0|1,0,0]=3 9890 B17R1.745 CCCCCCCC(=O)NC1CCCC(C1)C 11a_100011194320_100000211969 [0,0,1,1,0,0|1,0,0]=3 9891 B17R1.745 CCCCCCCC(=O)NC1CCCC(C1)C 1626a_100011194320_100000211969 [0,0,1,1,0,0|1,0,0]=3 9892 B17R1.745 CCCCCCCC(=O)NC1CCCC(C1)C 240690a_100011194320_100000211969 [0,0,1,1,0,0|1,0,0]=3 9893 B17R1.745 CCCCCCCC(=O)NC1CCCC(C1)C 527a_100011194320_100000211969 [0,0,1,1,0,0|1,0,0]=3 9894 B17R1.745 CCCCCCCC(=O)NC1CCCC(C1)O 1626a_100015190357_100000211969 [0,0,1,1,0,0|2,0,0]=4 9895 B17R1.745 CCCCCCCC(=O)NC1CCCC(C1)O 240690a_100015190357_100000211969 [0,0,1,1,0,0|2,0,0]=4 9896 B17R1.745 CCCCCCCC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100000211969 [0,0,1,1,0,0|2,0,0]=4 9897 B17R1.745 CCCCCCCC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100000211969 [0,0,1,1,0,0|2,0,0]=4 9898 B17R1.745 CCCCCCNC(=O)CC1CCCC(C1)C 11a_100000210581_100000748788 [0,0,1,1,0,0|1,0,0]=3 9899 B17R1.745 CCCCCCNC(=O)CC1CCCC(C1)C 1626a_100000210581_100000748788 [0,0,1,1,0,0|1,0,0]=3 9900 B17R1.745 CCCCCCNC(=O)CC1CCCC(C1)C 240690a_100000210581_100000748788 [0,0,1,1,0,0|1,0,0]=3 9901 B17R1.745 CCCCCCNC(=O)CC1CCCC(C1)C 527a_100000210581_100000748788 [0,0,1,1,0,0|1,0,0]=3 9902 B17R1.745 CCCCCCNC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000230325 [0,0,1,1,0,0|2,0,0]=4 9903 B17R1.745 CCCCCCNC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000230325 [0,0,1,1,0,0|2,0,0]=4 9904 B17R1.745 CCCCCCNC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000230325 [0,0,1,1,0,0|2,0,0]=4 9905 B17R1.745 CCCCCCNC(=O)NC1CCCC(C1)C 2708a_100000210581_100011194320 [0,0,1,1,0,0|2,0,0]=4 9906 B17R1.745 CCCCCCNC(=O)NC1CCCC(C1)C 2708a_100011194320_100000210581 [0,0,1,1,0,0|2,0,0]=4 9907 B17R1.745 CCCCCCNC(=O)NC1CCCC(C1)C 273464a_100000210581_100011194320 [0,0,1,1,0,0|2,0,0]=4 9908 B17R1.745 CCCCCCNC(=O)NC1CCCC(C1)C 273464a_100011194320_100000210581 [0,0,1,1,0,0|2,0,0]=4 9909 B17R1.745 CCCCCCNC(=O)NC1CCCC(C1)C 512a_100000210581_100011194320 [0,0,1,1,0,0|2,0,0]=4 9910 B17R1.745 CCCCCCNC(=O)NC1CCCC(C1)C 512a_100011194320_100000210581 [0,0,1,1,0,0|2,0,0]=4 9911 B17R1.745 CCCCCNNC(=O)CC1CCCC(C1)C 22a_100000694160_100000748788 [0,0,1,1,0,0|2,0,0]=4 9912 B17R1.745 CCCCOCCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000743108 [0,0,1,1,0,0|1,0,0]=3 9913 B17R1.745 CCCOCCNC(=O)CC1CCCC(C1)C 1626a_100161115042_100000748788 [0,0,1,1,0,0|2,0,0]=4 9914 B17R1.745 CCCOCCNC(=O)CC1CCCC(C1)C 240690a_100161115042_100000748788 [0,0,1,1,0,0|2,0,0]=4 9915 B17R1.745 CCCOCCNC(=O)CC1CCCC(C1)C 527a_100161115042_100000748788 [0,0,1,1,0,0|2,0,0]=4 9916 B17R1.745 CCCSCCNC(=O)CC1CCCC(C1)C 11a_100020603323_100000748788 [0,0,1,1,0,0|2,0,0]=4 9917 B17R1.745 CCCSCCNC(=O)CC1CCCC(C1)C 240690a_100020603323_100000748788 [0,0,1,1,0,0|2,0,0]=4 9918 B17R1.745 CCCSCCNC(=O)CC1CCCC(C1)C 527a_100020603323_100000748788 [0,0,1,1,0,0|2,0,0]=4 9919 B17R1.745 CCOCCCNC(=O)CC1CCCC(C1)C 11a_100000210961_100000748788 [0,0,1,1,0,0|2,0,0]=4 9920 B17R1.745 CCOCCCNC(=O)CC1CCCC(C1)C 1626a_100000210961_100000748788 [0,0,1,1,0,0|2,0,0]=4 9921 B17R1.745 CCOCCCNC(=O)CC1CCCC(C1)C 240690a_100000210961_100000748788 [0,0,1,1,0,0|2,0,0]=4 9922 B17R1.745 CCOCCCNC(=O)CC1CCCC(C1)C 527a_100000210961_100000748788 [0,0,1,1,0,0|2,0,0]=4 9923 B17R1.745 CN1CCCC(C1)CC(=O)CCCCCCO 1458a_100011996774_100015183302 [0,0,1,1,0,0|2,0,0]=4 9924 B17R1.745 COCCCCCC(=O)CC1CCCN(C1)C 1458a_100011935119_100015183302 [0,0,1,1,0,0|2,0,0]=4 9925 B17R1.745 COCCCCCC(=O)NC1CCCC(C1)C 11a_100011194320_100011935119 [0,0,1,1,0,0|2,0,0]=4 9926 B17R1.745 COCCCCCC(=O)NC1CCCC(C1)C 1626a_100011194320_100011935119 [0,0,1,1,0,0|2,0,0]=4 9927 B17R1.745 COCCCCCC(=O)NC1CCCC(C1)C 240690a_100011194320_100011935119 [0,0,1,1,0,0|2,0,0]=4 9928 B17R1.745 COCCCCCC(=O)NC1CCCC(C1)C 527a_100011194320_100011935119 [0,0,1,1,0,0|2,0,0]=4 9929 B17R1.745 COCCOCCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000695917 [0,0,1,1,0,0|2,0,0]=4 9930 B17R1.1260 CC(CC(=O)CCCCCCO)N1CCCC1 1458a_100011996774_200015187269 [0,0,1,1,0,0|2,0,0]=4 9931 B17R1.1260 CC(NC(=O)CCCCCCO)C1CCCC1 240690a_100015185923_100011996774 [0,0,1,1,0,0|2,0,0]=4 9932 B17R1.1260 CCCCCCCC(=O)CC(C)N1CCCC1 1458a_100000211969_200015187269 [0,0,1,1,0,0|1,0,0]=3 9933 B17R1.1260 CCCCCCCC(=O)CN(C)C1CCCC1 1458a_100073796569_100000210614 [0,0,1,1,0,0|1,0,0]=3 9934 B17R1.1260 CCCCCCCC(=O)NC(C)C1CCCC1 11a_100015185923_100000211969 [0,0,1,1,0,0|1,0,0]=3 9935 B17R1.1260 CCCCCCCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000211969 [0,0,1,1,0,0|1,0,0]=3 9936 B17R1.1260 CCCCCCCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000211969 [0,0,1,1,0,0|1,0,0]=3 9937 B17R1.1260 CCCCCCCC(=O)NC(C)C1CCCC1 527a_100015185923_100000211969 [0,0,1,1,0,0|1,0,0]=3 9938 B17R1.1260 CCCCCCCC(=O)NC(C)C1CCCO1 11a_100025754208_100000211969 [0,0,1,1,0,0|2,0,0]=4 9939 B17R1.1260 CCCCCCCC(=O)NC(C)C1CCCO1 1626a_100025754208_100000211969 [0,0,1,1,0,0|2,0,0]=4 9940 B17R1.1260 CCCCCCCC(=O)NC(C)C1CCCO1 240690a_100025754208_100000211969 [0,0,1,1,0,0|2,0,0]=4 9941 B17R1.1260 CCCCCCCC(=O)NC(C)C1CCCO1 527a_100025754208_100000211969 [0,0,1,1,0,0|2,0,0]=4 9942 B17R1.1260 CCCCCCCC(O)CC(=O)C1CCCC1 1458a_200011667753_100000179811 [0,0,1,1,0,0|1,0,0]=3 9943 B17R1.1260 CCCCCCCC(O)CC(=O)C1CCOC1 1458a_200011667753_100000690089 [0,0,1,1,0,0|2,0,0]=4 9944 B17R1.1260 CCCCCCCC(O)CC(=O)N1CCCC1 240690a_100000188435_200011667753 [0,0,1,1,0,0|2,0,0]=4 9945 B17R1.1260 CCCCCCCN(C)CC(=O)N1CCCC1 2230a_100000228206_100000183516 [0,0,1,1,0,0|2,0,0]=4 9946 B17R1.1260 CCCCCCCN(C)CC(=O)N1CCCC1 2230a_100025772637_100000210681 [0,0,1,1,0,0|2,0,0]=4 9947 B17R1.1260 CCCCCCCN(C)CC(=O)N1CCCC1 269982a_100000228206_100000183516 [0,0,1,1,0,0|2,0,0]=4 9948 B17R1.1260 CCCCCCCN(C)CC(=O)N1CCCC1 269982a_100025772637_100000210681 [0,0,1,1,0,0|2,0,0]=4 9949 B17R1.1260 CCCCCCNC(=O)CN(C)C1CCCC1 2230a_100000207505_100000230325 [0,0,1,1,0,0|2,0,0]=4 9950 B17R1.1260 CCCCCCNC(=O)CN(C)C1CCCC1 240690a_100000210581_100073796569 [0,0,1,1,0,0|2,0,0]=4 9951 B17R1.1260 CCCCCCNC(=O)CN(C)C1CCCC1 269982a_100000207505_100000230325 [0,0,1,1,0,0|2,0,0]=4 9952 B17R1.1260 CCCCCCNC(=O)CN(C)C1CCCC1 34a_100000207505_100000230325 [0,0,1,1,0,0|2,0,0]=4 9953 B17R1.1260 CCCCCCNC(=O)CN(C)C1CCCC1 527a_100000210581_100073796569 [0,0,1,1,0,0|2,0,0]=4 9954 B17R1.1260 CCCCCCNC(=O)NC(C)C1CCCC1 2708a_100000210581_100015185923 [0,0,1,1,0,0|2,0,0]=4 9955 B17R1.1260 CCCCCCNC(=O)NC(C)C1CCCC1 2708a_100015185923_100000210581 [0,0,1,1,0,0|2,0,0]=4 9956 B17R1.1260 CCCCCCNC(=O)NC(C)C1CCCC1 273464a_100000210581_100015185923 [0,0,1,1,0,0|2,0,0]=4 9957 B17R1.1260 CCCCCCNC(=O)NC(C)C1CCCC1 273464a_100015185923_100000210581 [0,0,1,1,0,0|2,0,0]=4 9958 B17R1.1260 CCCCCCNC(=O)NC(C)C1CCCC1 512a_100000210581_100015185923 [0,0,1,1,0,0|2,0,0]=4 9959 B17R1.1260 CCCCCCNC(=O)NC(C)C1CCCC1 512a_100015185923_100000210581 [0,0,1,1,0,0|2,0,0]=4 9960 B17R1.1260 CCCCOCCC(=O)CN(C)C1CCCC1 1458a_100073796569_100000743108 [0,0,1,1,0,0|2,0,0]=4 9961 B17R1.1260 CN(CC(=O)CCCCCCF)C1CCCC1 1458a_100073796569_100015922095 [0,0,1,1,0,0|2,0,0]=4 9962 B17R1.1260 CN(CC(=O)CCCCCCO)C1CCCC1 1458a_100073796569_100000766143 [0,0,1,1,0,0|2,0,0]=4 9963 B17R1.1260 COCCCCCC(=O)CC(C)N1CCCC1 1458a_100011935119_200015187269 [0,0,1,1,0,0|2,0,0]=4 9964 B17R1.1260 COCCCCCC(=O)NC(C)C1CCCC1 11a_100015185923_100011935119 [0,0,1,1,0,0|2,0,0]=4 9965 B17R1.1260 COCCCCCC(=O)NC(C)C1CCCC1 1626a_100015185923_100011935119 [0,0,1,1,0,0|2,0,0]=4 9966 B17R1.1260 COCCCCCC(=O)NC(C)C1CCCC1 240690a_100015185923_100011935119 [0,0,1,1,0,0|2,0,0]=4 9967 B17R1.1260 COCCCCCC(=O)NC(C)C1CCCC1 527a_100015185923_100011935119 [0,0,1,1,0,0|2,0,0]=4 9968 B17R1.1889 CCCCCC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_200012276598 [0,0,1,1,0,0|1,0,1]=4 9969 B17R1.1889 CCCCCC(=O)CN(C)CC1CCCCC1 2230a_100000736448_200012276598 [0,0,1,1,0,0|1,0,0]=3 9970 B17R1.1889 CCCCCC(=O)CN(C)CC1CCCCC1 269982a_100000736448_200012276598 [0,0,1,1,0,0|1,0,0]=3 9971 B17R1.1889 CCCCCC(=O)CN(C)CC1CCCCC1 34a_100000736448_200012276598 [0,0,1,1,0,0|1,0,0]=3 9972 B17R1.1889 CCCCCC(=O)CN(C)CC1CCCCO1 2230a_100000225654_200012276598 [0,0,1,1,0,0|2,0,0]=4 9973 B17R1.1889 CCCCCC(=O)CN(C)CC1CCCCO1 269982a_100000225654_200012276598 [0,0,1,1,0,0|2,0,0]=4 9974 B17R1.1889 CCCCCC(=O)CN(C)CC1CCCCO1 34a_100000225654_200012276598 [0,0,1,1,0,0|2,0,0]=4 9975 B17R1.1889 CCCCCC(=O)CN(C)CC1CCOCC1 2230a_100025706683_200012276598 [0,0,1,1,0,0|2,0,0]=4 9976 B17R1.1889 CCCCCC(=O)CN(C)CC1CCOCC1 269982a_100025706683_200012276598 [0,0,1,1,0,0|2,0,0]=4 9977 B17R1.1889 CCCCCC(=O)CN(C)CC1CCOCC1 34a_100025706683_200012276598 [0,0,1,1,0,0|2,0,0]=4 9978 B17R1.1889 CCCCCC(=O)CN(C)CC1CCSCC1 2230a_100011935259_200012276598 [0,0,1,1,0,0|2,0,0]=4 9979 B17R1.1889 CCCCCC(=O)CN(C)CC1CCSCC1 269982a_100011935259_200012276598 [0,0,1,1,0,0|2,0,0]=4 9980 B17R1.1889 CCCCCC(=O)CN(C)CC1CCSCC1 34a_100011935259_200012276598 [0,0,1,1,0,0|2,0,0]=4 9981 B17R1.1889 CCCCCC(=O)NC(C)CN1CCCCC1 11a_100000738326_100000212188 [0,0,1,1,0,0|2,0,0]=4 9982 B17R1.1889 CCCCCC(=O)NC(C)CN1CCCCC1 1626a_100000738326_100000212188 [0,0,1,1,0,0|2,0,0]=4 9983 B17R1.1889 CCCCCC(=O)NC(C)CN1CCCCC1 240690a_100000738326_100000212188 [0,0,1,1,0,0|2,0,0]=4 9984 B17R1.1889 CCCCCC(=O)NC(C)CN1CCCCC1 527a_100000738326_100000212188 [0,0,1,1,0,0|2,0,0]=4 9985 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCCC1 11a_100000211957_100000211666 [0,0,1,1,0,0|1,0,0]=3 9986 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCCC1 1626a_100000211957_100000211666 [0,0,1,1,0,0|1,0,0]=3 9987 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCCC1 240690a_100000211957_100000211666 [0,0,1,1,0,0|1,0,0]=3 9988 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCCC1 527a_100000211957_100000211666 [0,0,1,1,0,0|1,0,0]=3 9989 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCCO1 11a_100000211957_100000238585 [0,0,1,1,0,0|2,0,0]=4 9990 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCCO1 1626a_100000211957_100000238585 [0,0,1,1,0,0|2,0,0]=4 9991 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCCO1 240690a_100000211957_100000238585 [0,0,1,1,0,0|2,0,0]=4 9992 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCCO1 527a_100000211957_100000238585 [0,0,1,1,0,0|2,0,0]=4 9993 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCOC1 11a_100000211957_100000741523 [0,0,1,1,0,0|2,0,0]=4 9994 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCOC1 1626a_100000211957_100000741523 [0,0,1,1,0,0|2,0,0]=4 9995 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCOC1 240690a_100000211957_100000741523 [0,0,1,1,0,0|2,0,0]=4 9996 B17R1.1889 CCCCCC(C)NC(=O)CC1CCCOC1 527a_100000211957_100000741523 [0,0,1,1,0,0|2,0,0]=4 9997 B17R1.1889 CCCCCC(C)NC(=O)CC1CCOCC1 11a_100000211957_100000757261 [0,0,1,1,0,0|2,0,0]=4 9998 B17R1.1889 CCCCCC(C)NC(=O)CC1CCOCC1 1626a_100000211957_100000757261 [0,0,1,1,0,0|2,0,0]=4 9999 B17R1.1889 CCCCCC(C)NC(=O)CC1CCOCC1 240690a_100000211957_100000757261 [0,0,1,1,0,0|2,0,0]=4 10000 B17R1.1889 CCCCCC(C)NC(=O)CC1CCOCC1 527a_100000211957_100000757261 [0,0,1,1,0,0|2,0,0]=4 10001 B17R1.1889 CCCCCC(C)NC(=O)CN1CCCCC1 11a_100000211957_100000740322 [0,0,1,1,0,0|2,0,0]=4 10002 B17R1.1889 CCCCCC(C)NC(=O)CN1CCCCC1 240690a_100000211957_100000740322 [0,0,1,1,0,0|2,0,0]=4 10003 B17R1.1889 CCCCCC(C)NC(=O)CN1CCCCC1 527a_100000211957_100000740322 [0,0,1,1,0,0|2,0,0]=4 10004 B17R1.1889 CCCCCC(C)NC(=O)NC1CCCCC1 2708a_100000182618_100000211957 [0,0,1,1,0,0|2,0,0]=4 10005 B17R1.1889 CCCCCC(C)NC(=O)NC1CCCCC1 2708a_100000211957_100000182618 [0,0,1,1,0,0|2,0,0]=4 10006 B17R1.1889 CCCCCC(C)NC(=O)NC1CCCCC1 273464a_100000182618_100000211957 [0,0,1,1,0,0|2,0,0]=4 10007 B17R1.1889 CCCCCC(C)NC(=O)NC1CCCCC1 273464a_100000211957_100000182618 [0,0,1,1,0,0|2,0,0]=4 10008 B17R1.1889 CCCCCN(C)CC(=O)NC1CCCCC1 2230a_100000223495_100000183541 [0,0,1,1,0,0|2,0,0]=4 10009 B17R1.1889 CCCCCN(C)CC(=O)NC1CCCCC1 269982a_100000223495_100000183541 [0,0,1,1,0,0|2,0,0]=4 10010 B17R1.1889 CCCCCN(C)CC(=O)OC1CCCCC1 2230a_100000223495_100000041653 [0,0,1,1,0,0|2,0,0]=4 10011 B17R1.1889 CCCCCN(C)CC(=O)OC1CCCCC1 269982a_100000223495_100000041653 [0,0,1,1,0,0|2,0,0]=4 10012 B17R1.1889 CCCCNC(=O)CN(C)CC1CCCCC1 2230a_100000736448_100000182744 [0,0,1,1,0,0|2,0,0]=4 10013 B17R1.1889 CCCCNC(=O)CN(C)CC1CCCCC1 2230a_200000213093_100000211423 [0,0,1,1,0,0|2,0,0]=4 10014 B17R1.1889 CCCCNC(=O)CN(C)CC1CCCCC1 269982a_100000736448_100000182744 [0,0,1,1,0,0|2,0,0]=4 10015 B17R1.1889 CCCCNC(=O)CN(C)CC1CCCCC1 269982a_200000213093_100000211423 [0,0,1,1,0,0|2,0,0]=4 10016 B17R1.1889 CCCCNC(=O)CN(C)CC1CCCCC1 34a_100000736448_100000182744 [0,0,1,1,0,0|2,0,0]=4 10017 B17R1.1889 CCCCOC(=O)CN(C)CC1CCCCC1 2230a_100000736448_100000211628 [0,0,1,1,0,0|2,0,0]=4 10018 B17R1.1889 CCCCOC(=O)CN(C)CC1CCCCC1 269982a_100000736448_100000211628 [0,0,1,1,0,0|2,0,0]=4 10019 B17R1.1889 CCCCOC(=O)CN(C)CC1CCCCC1 34a_100000736448_100000211628 [0,0,1,1,0,0|2,0,0]=4 10020 B17R1.3714 CCCCCC(=O)CN1CCCCCCCC1 2230a_100000039187_200012276598 [0,0,1,1,0,0|1,0,0]=3 10021 B17R1.3714 CCCCCC(=O)CN1CCCCCCCC1 269982a_100000039187_200012276598 [0,0,1,1,0,0|1,0,0]=3 10022 B17R1.3714 CCCCCC(=O)CN1CCCCCCCC1 34a_100000039187_200012276598 [0,0,1,1,0,0|1,0,0]=3 10023 B17R1.3714 CCCCNC(=O)CN1CCCCCCCC1 2230a_100000039187_100000182744 [0,0,1,1,0,0|2,0,0]=4 10024 B17R1.3714 CCCCNC(=O)CN1CCCCCCCC1 269982a_100000039187_100000182744 [0,0,1,1,0,0|2,0,0]=4 10025 B17R1.3714 CCCCNC(=O)CN1CCCCCCCC1 34a_100000039187_100000182744 [0,0,1,1,0,0|2,0,0]=4 10026 B17R1.3714 CCCCOC(=O)CN1CCCCCCCC1 2230a_100000039187_100000211628 [0,0,1,1,0,0|2,0,0]=4 10027 B17R1.3714 CCCCOC(=O)CN1CCCCCCCC1 269982a_100000039187_100000211628 [0,0,1,1,0,0|2,0,0]=4 10028 B17R1.3714 CCCCOC(=O)CN1CCCCCCCC1 34a_100000039187_100000211628 [0,0,1,1,0,0|2,0,0]=4 10029 B17R1.5750 CCCCCC(=O)CC(=O)C1CCCCC1C 1458a_100011215568_200012276598 [0,0,1,1,0,0|1,0,1]=4 10030 B17R1.5750 CCCCCC(=O)CN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200012276598 [0,0,1,1,0,0|2,0,0]=4 10031 B17R1.5750 CCCCCC(C)NC(=O)C1CCCCC1C 11a_100000211957_100011215568 [0,0,1,1,0,0|1,0,0]=3 10032 B17R1.5750 CCCCCC(C)NC(=O)C1CCCCC1C 1626a_100000211957_100011215568 [0,0,1,1,0,0|1,0,0]=3 10033 B17R1.5750 CCCCCC(C)NC(=O)C1CCCCC1C 240690a_100000211957_100011215568 [0,0,1,1,0,0|1,0,0]=3 10034 B17R1.5750 CCCCCC(C)NC(=O)C1CCCCC1C 527a_100000211957_100011215568 [0,0,1,1,0,0|1,0,0]=3 10035 B17R1.5750 CCCCCC(C)NC(=O)N1CCCCC1C 2708a_100000211957_100000211376 [0,0,1,1,0,0|2,0,0]=4 10036 B17R1.5750 CCCCCC(C)NC(=O)N1CCCCC1C 273464a_100000211957_100000211376 [0,0,1,1,0,0|2,0,0]=4 10037 B17R1.5750 CCCCCC(C)NC(=O)[C@H]1CCCCN1C 11a_100000211957_100000767060 [0,0,1,1,0,0|2,0,0]=4 10038 B17R1.5750 CCCCCC(C)NC(=O)[C@H]1CCCCN1C 1626a_100000211957_100000767060 [0,0,1,1,0,0|2,0,0]=4 10039 B17R1.5750 CCCCCC(C)NC(=O)[C@H]1CCCCN1C 240690a_100000211957_100000767060 [0,0,1,1,0,0|2,0,0]=4 10040 B17R1.5750 CCCCCC(C)NC(=O)[C@H]1CCCCN1C 527a_100000211957_100000767060 [0,0,1,1,0,0|2,0,0]=4 10041 B17R1.5750 CCCCCN(C)CC(=O)N1CCCCC1C 2230a_100000223495_100000182743 [0,0,1,1,0,0|2,0,0]=4 10042 B17R1.5750 CCCCCN(C)CC(=O)N1CCCCC1C 269982a_100000223495_100000182743 [0,0,1,1,0,0|2,0,0]=4 10043 B17R1.5750 CCCCNC(=O)CN(C)C1CCCCC1C 270004a_200000213093_100000210921 [0,0,1,1,0,0|2,0,0]=4 10044 B17R1.5752 CCCCCC(C)NC(=O)CNCCC1CC1 34a_100000764129_100000230335 [0,0,1,1,0,0|2,0,0]=4 10045 B17R1.5752 CCCCCC(C)NC(=O)COCCC1CC1 34a_100000754188_100000230335 [0,0,1,1,0,0|2,0,0]=4 10046 B17R1.5752 CCCCCC(C)NC(=O)COCCC1CC1 7a_100000754188_100000230335 [0,0,1,1,0,0|2,0,0]=4 10047 B17R1.5752 CCCCCC(C)NC(=O)CSCCC1CC1 62a_100000230335_100000764125 [0,0,1,1,0,0|2,0,0]=4 10048 B17R1.5752 CCCCCC(C)NC(=O)CSCCC1CC1 62a_100000764125_100000230335 [0,0,1,1,0,0|2,0,0]=4 10049 B17R1.5752 CCCCCC(C)OC(=O)CNCCC1CC1 34a_100000764129_200000092394 [0,0,1,1,0,0|2,0,0]=4 10050 B17R1.5752 CCCCCC(C)OC(=O)COCCC1CC1 34a_100000754188_200000092394 [0,0,1,1,0,0|2,0,0]=4 10051 B17R1.5752 CCCCCC(C)OC(=O)COCCC1CC1 7a_100000754188_200000092394 [0,0,1,1,0,0|2,0,0]=4 10052 B17R1.5752 CCCCCC(C)OC(=O)CSCCC1CC1 62a_100000764125_200000092394 [0,0,1,1,0,0|2,0,0]=4 10053 B17R1.5752 CCCCCC(C)OC(=O)CSCCC1CC1 62a_200000092394_100000764125 [0,0,1,1,0,0|2,0,0]=4 10054 B17R1.5758 CCCCCC(C)NC(=O)CNCC1CCC1 2230a_100000738700_100000230335 [0,0,1,1,0,0|2,0,0]=4 10055 B17R1.5758 CCCCCC(C)NC(=O)CNCC1CCC1 34a_100000738700_100000230335 [0,0,1,1,0,0|2,0,0]=4 10056 B17R1.5758 CCCCCC(C)NC(=O)COCC1CCC1 34a_100000760304_100000230335 [0,0,1,1,0,0|2,0,0]=4 10057 B17R1.5758 CCCCCC(C)NC(=O)CSCC1CCC1 62a_100000230335_100000763275 [0,0,1,1,0,0|2,0,0]=4 10058 B17R1.5758 CCCCCC(C)NC(=O)CSCC1CCC1 62a_100000763275_100000230335 [0,0,1,1,0,0|2,0,0]=4 10059 B17R1.5758 CCCCCC(C)OC(=O)CNCC1CCC1 2230a_100000738700_200000092394 [0,0,1,1,0,0|2,0,0]=4 10060 B17R1.5758 CCCCCC(C)OC(=O)CNCC1CCC1 34a_100000738700_200000092394 [0,0,1,1,0,0|2,0,0]=4 10061 B17R1.5758 CCCCCC(C)OC(=O)COCC1CCC1 34a_100000760304_200000092394 [0,0,1,1,0,0|2,0,0]=4 10062 B17R1.5758 CCCCCC(C)OC(=O)CSCC1CCC1 62a_100000763275_200000092394 [0,0,1,1,0,0|2,0,0]=4 10063 B17R1.5758 CCCCCC(C)OC(=O)CSCC1CCC1 62a_200000092394_100000763275 [0,0,1,1,0,0|2,0,0]=4 10064 B17R1.5759 CCCCCC(C)NC(=O)C1CCCN1CC 240690a_100000211957_106256033941 [0,0,1,1,0,0|2,0,0]=4 10065 B17R1.5759 CCCCCC(C)NC(=O)C1CCCN1CC 527a_100000211957_106256033941 [0,0,1,1,0,0|2,0,0]=4 10066 B17R1.5759 CCCCCC(C)NC(=O)N1CCCC1CC 2708a_100000211957_100000754278 [0,0,1,1,0,0|2,0,0]=4 10067 B17R1.5759 CCCCCC(C)NC(=O)N1CCCC1CC 273464a_100000211957_100000754278 [0,0,1,1,0,0|2,0,0]=4 10068 B17R1.5759 CCCCNC(=O)CN(C)C1CCCC1CC 270004a_200000213093_100000749056 [0,0,1,1,0,0|2,0,0]=4 10069 B17R1.5761 CCCCCC(C)NC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000230335 [0,0,1,1,0,0|2,0,0]=4 10070 B17R1.5761 CCCCCC(C)NC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000230335 [0,0,1,1,0,0|2,0,0]=4 10071 B17R1.5761 CCCCCC(C)NC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000230335 [0,0,1,1,0,0|2,0,0]=4 10072 B17R1.5761 CCCCCC(C)NC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000230335 [0,0,1,1,0,0|2,0,0]=4 10073 B17R1.5761 CCCCCC(C)NC(=O)CN1CCC[C@H]1C 34a_100015189458_100000230335 [0,0,1,1,0,0|2,0,0]=4 10074 B17R1.5761 CCCCCC(C)OC(=O)CN1CCC[C@@H]1C 2230a_100020605311_200000092394 [0,0,1,1,0,0|2,0,0]=4 10075 B17R1.5761 CCCCCC(C)OC(=O)CN1CCC[C@@H]1C 269982a_100020605311_200000092394 [0,0,1,1,0,0|2,0,0]=4 10076 B17R1.5761 CCCCCC(C)OC(=O)CN1CCC[C@H]1C 2230a_100015189458_200000092394 [0,0,1,1,0,0|2,0,0]=4 10077 B17R1.5761 CCCCCC(C)OC(=O)CN1CCC[C@H]1C 269982a_100015189458_200000092394 [0,0,1,1,0,0|2,0,0]=4 10078 B17R1.5761 CCCCCC(C)OC(=O)CN1CCC[C@H]1C 34a_100015189458_200000092394 [0,0,1,1,0,0|2,0,0]=4 10079 B17R1.8961 CCCCCC(=O)CN1CCCC(C1)CCO 2230a_100000752241_200012276598 [0,0,1,1,0,0|2,0,0]=4 10080 B17R1.8961 CCCCCC(=O)CN1CCCC(C1)CCO 269982a_100000752241_200012276598 [0,0,1,1,0,0|2,0,0]=4 10081 B17R1.8961 CCCCCC(=O)CN1CCCC(C1)CCO 34a_100000752241_200012276598 [0,0,1,1,0,0|2,0,0]=4 10082 B17R1.8961 CCCCCC(=O)CN1CCCC(C1)COC 2230a_100000755410_200012276598 [0,0,1,1,0,0|2,0,0]=4 10083 B17R1.8961 CCCCCC(=O)CN1CCCC(C1)COC 269982a_100000755410_200012276598 [0,0,1,1,0,0|2,0,0]=4 10084 B17R1.8961 CCCCCC(=O)CN1CCCC(C1)COC 34a_100000755410_200012276598 [0,0,1,1,0,0|2,0,0]=4 10085 B17R1.8961 CCCCCC(=O)CN1CCCC(C1)OCC 2230a_100000745229_200012276598 [0,0,1,1,0,0|2,0,0]=4 10086 B17R1.8961 CCCCCC(=O)CN1CCCC(C1)OCC 269982a_100000745229_200012276598 [0,0,1,1,0,0|2,0,0]=4 10087 B17R1.8961 CCCCCC(=O)CN1CCCC(C1)OCC 34a_100000745229_200012276598 [0,0,1,1,0,0|2,0,0]=4 10088 B17R1.8961 CCCCCC(=O)NC1CCCN(C1)CCC 11a_100011435248_100000212188 [0,0,1,1,0,0|2,0,0]=4 10089 B17R1.8961 CCCCCC(=O)NC1CCCN(C1)CCC 1626a_100011435248_100000212188 [0,0,1,1,0,0|2,0,0]=4 10090 B17R1.8961 CCCCCC(=O)NC1CCCN(C1)CCC 240690a_100011435248_100000212188 [0,0,1,1,0,0|2,0,0]=4 10091 B17R1.8961 CCCCCC(=O)NC1CCCN(C1)CCC 527a_100011435248_100000212188 [0,0,1,1,0,0|2,0,0]=4 10092 B17R1.8979 CCCCCC(=O)CC(=O)CCC1CCCC1 1458a_100000211120_200012276598 [0,0,1,1,0,0|1,0,1]=4 10093 B17R1.8979 CCCCCC(=O)CN(C)CCN1CCCC1 2230a_100000225677_200012276598 [0,0,1,1,0,0|2,0,0]=4 10094 B17R1.8979 CCCCCC(=O)CN(C)CCN1CCCC1 269982a_100000225677_200012276598 [0,0,1,1,0,0|2,0,0]=4 10095 B17R1.8979 CCCCCC(C)NC(=O)CCC1CCCC1 11a_100000211957_100000211120 [0,0,1,1,0,0|1,0,0]=3 10096 B17R1.8979 CCCCCC(C)NC(=O)CCC1CCCC1 1626a_100000211957_100000211120 [0,0,1,1,0,0|1,0,0]=3 10097 B17R1.8979 CCCCCC(C)NC(=O)CCC1CCCC1 240690a_100000211957_100000211120 [0,0,1,1,0,0|1,0,0]=3 10098 B17R1.8979 CCCCCC(C)NC(=O)CCC1CCCC1 527a_100000211957_100000211120 [0,0,1,1,0,0|1,0,0]=3 10099 B17R1.8979 CCCCCC(C)NC(=O)CCC1CCCO1 11a_100000211957_100011247709 [0,0,1,1,0,0|2,0,0]=4 10100 B17R1.8979 CCCCCC(C)NC(=O)CCC1CCCO1 1626a_100000211957_100011247709 [0,0,1,1,0,0|2,0,0]=4 10101 B17R1.8979 CCCCCC(C)NC(=O)CCC1CCCO1 240690a_100000211957_100011247709 [0,0,1,1,0,0|2,0,0]=4 10102 B17R1.8979 CCCCCC(C)NC(=O)CCC1CCCO1 527a_100000211957_100011247709 [0,0,1,1,0,0|2,0,0]=4 10103 B17R1.8979 CCCCCC(C)NC(=O)CCN1CCCC1 240690a_100000211957_100000738983 [0,0,1,1,0,0|2,0,0]=4 10104 B17R1.8979 CCCCCC(C)NC(=O)CNC1CCCC1 2230a_100000211070_100000230335 [0,0,1,1,0,0|2,0,0]=4 10105 B17R1.8979 CCCCCC(C)NC(=O)CNC1CCCC1 34a_100000211070_100000230335 [0,0,1,1,0,0|2,0,0]=4 10106 B17R1.8979 CCCCCC(C)NC(=O)COC1CCCC1 11a_100000211957_100000741352 [0,0,1,1,0,0|2,0,0]=4 10107 B17R1.8979 CCCCCC(C)NC(=O)COC1CCCC1 1626a_100000211957_100000741352 [0,0,1,1,0,0|2,0,0]=4 10108 B17R1.8979 CCCCCC(C)NC(=O)COC1CCCC1 240690a_100000211957_100000741352 [0,0,1,1,0,0|2,0,0]=4 10109 B17R1.8979 CCCCCC(C)NC(=O)COC1CCCC1 34a_100000210269_100000230335 [0,0,1,1,0,0|2,0,0]=4 10110 B17R1.8979 CCCCCC(C)NC(=O)COC1CCCC1 527a_100000211957_100000741352 [0,0,1,1,0,0|2,0,0]=4 10111 B17R1.8979 CCCCCC(C)NC(=O)COC1CCCC1 7a_100000210269_100000230335 [0,0,1,1,0,0|2,0,0]=4 10112 B17R1.8979 CCCCCC(C)NC(=O)CSC1CCCC1 62a_100000230335_100000179811 [0,0,1,1,0,0|2,0,0]=4 10113 B17R1.8979 CCCCCC(C)NC(=O)CSC1CCCC1 62a_100011217020_100000230335 [0,0,1,1,0,0|2,0,0]=4 10114 B17R1.8979 CCCCCC(C)NC(=O)NCC1CCCC1 2708a_100000211957_100000737975 [0,0,1,1,0,0|2,0,0]=4 10115 B17R1.8979 CCCCCC(C)NC(=O)NCC1CCCC1 2708a_100000737975_100000211957 [0,0,1,1,0,0|2,0,0]=4 10116 B17R1.8979 CCCCCC(C)NC(=O)NCC1CCCC1 273464a_100000211957_100000737975 [0,0,1,1,0,0|2,0,0]=4 10117 B17R1.8979 CCCCCC(C)NC(=O)NCC1CCCC1 273464a_100000737975_100000211957 [0,0,1,1,0,0|2,0,0]=4 10118 B17R1.8979 CCCCCC(C)NC(=O)NCC1CCCC1 512a_100000211957_100000737975 [0,0,1,1,0,0|2,0,0]=4 10119 B17R1.8979 CCCCCC(C)NC(=O)NCC1CCCC1 512a_100000737975_100000211957 [0,0,1,1,0,0|2,0,0]=4 10120 B17R1.8979 CCCCCC(C)OC(=O)CNC1CCCC1 2230a_100000211070_200000092394 [0,0,1,1,0,0|2,0,0]=4 10121 B17R1.8979 CCCCCC(C)OC(=O)CNC1CCCC1 34a_100000211070_200000092394 [0,0,1,1,0,0|2,0,0]=4 10122 B17R1.8979 CCCCCC(C)OC(=O)COC1CCCC1 34a_100000210269_200000092394 [0,0,1,1,0,0|2,0,0]=4 10123 B17R1.8979 CCCCCC(C)OC(=O)COC1CCCC1 7a_100000210269_200000092394 [0,0,1,1,0,0|2,0,0]=4 10124 B17R1.8979 CCCCCC(C)OC(=O)CSC1CCCC1 62a_100011217020_200000092394 [0,0,1,1,0,0|2,0,0]=4 10125 B17R1.8979 CCCCCC(C)OC(=O)CSC1CCCC1 62a_200000092394_100000179811 [0,0,1,1,0,0|2,0,0]=4 10126 B17R1.8979 CCCCNC(=O)CN(C)CCC1CCCC1 2230a_200000213093_100000760354 [0,0,1,1,0,0|2,0,0]=4 10127 B17R1.8979 CCCCNC(=O)CN(C)CCC1CCCC1 269982a_200000213093_100000760354 [0,0,1,1,0,0|2,0,0]=4 10128 B17R1.9266 CCCCCCCC(=O)C1CCCCCC1=O 1458a_100000211969_100000243696 [0,0,1,1,0,0|1,0,1]=4 10129 B17R1.9266 CCCCCCCC(=O)C1CCCCCN1C 1458a_100015187800_100000210614 [0,0,1,1,0,0|1,0,0]=3 10130 B17R1.9266 CCCCCCCN(C)C1CCCCCC1=O 269982a_100000228206_100000243696 [0,0,1,1,0,0|1,0,0]=3 10131 B17R1.9266 CCCCCCCN(C)C1CCCCNC1=O 2230a_100000228206_100000735217 [0,0,1,1,0,0|2,0,0]=4 10132 B17R1.9266 CCCCCCCN(C)C1CCCCNC1=O 269982a_100000228206_100000735217 [0,0,1,1,0,0|2,0,0]=4 10133 B17R1.9266 CCCCCCNC(=O)C1CCCCCN1C 240690a_100000210581_100015187800 [0,0,1,1,0,0|2,0,0]=4 10134 B17R1.9266 CCCCCCNC(=O)C1CCCCCN1C 527a_100000210581_100015187800 [0,0,1,1,0,0|2,0,0]=4 10135 B17R1.9266 CCCCOCCC(=O)C1CCCCCN1C 1458a_100015187800_100000743108 [0,0,1,1,0,0|2,0,0]=4 10136 B17R1.9266 CN1CCCCCC1C(=O)CCCCCCF 1458a_100015187800_100015922095 [0,0,1,1,0,0|2,0,0]=4 10137 B17R1.9266 CN1CCCCCC1C(=O)CCCCCCO 1458a_100015187800_100000766143 [0,0,1,1,0,0|2,0,0]=4 10138 B17R1.18066 CCCCCCCC(=O)CC1CCN(C1)CC 1458a_100000211969_100015184589 [0,0,1,1,0,0|1,0,0]=3 10139 B17R1.18066 CCCCCCCC(=O)NC1CCN(C1)CC 11a_100015188829_100000211969 [0,0,1,1,0,0|2,0,0]=4 10140 B17R1.18066 CCCCCCCC(=O)NC1CCN(C1)CC 1626a_100015188829_100000211969 [0,0,1,1,0,0|2,0,0]=4 10141 B17R1.18066 CCCCCCCC(=O)NC1CCN(C1)CC 240690a_100015188829_100000211969 [0,0,1,1,0,0|2,0,0]=4 10142 B17R1.18066 CCCCCCCC(=O)NC1CCN(C1)CC 527a_100015188829_100000211969 [0,0,1,1,0,0|2,0,0]=4 10143 B17R1.18066 CCN1CCC(C1)CC(=O)CCCCCCO 1458a_100011996774_100015184589 [0,0,1,1,0,0|2,0,0]=4 10144 B17R1.18066 CCN1CCC(C1)CC(=O)CCCCCOC 1458a_100011935119_100015184589 [0,0,1,1,0,0|2,0,0]=4 10145 B17R1.25262 CCCCCCCC(O)CC(=O)CC1CCC1 1458a_200011667753_100000763275 [0,0,1,1,0,0|1,0,0]=3 10146 B17R1.25262 CCCCCCCC(O)CC(=O)CC1CCO1 1458a_200011667753_100000103362 [0,0,1,1,0,0|2,0,0]=4 10147 B17R1.25262 CCCCCCCC(O)CC(=O)CC1COC1 1458a_200011667753_100010264016 [0,0,1,1,0,0|2,0,0]=4 10148 B17R1.25262 CCCCCCCC(O)CC(=O)NC1CCC1 1626a_100000749019_200011667753 [0,0,1,1,0,0|2,0,0]=4 10149 B17R1.25262 CCCCCCCC(O)CC(=O)NC1CCC1 240690a_100000749019_200011667753 [0,0,1,1,0,0|2,0,0]=4 10150 B17R1.25262 CCCCCCNC(=O)CN(C)CC1CCC1 2230a_200000750244_100000230325 [0,0,1,1,0,0|2,0,0]=4 10151 B17R1.25262 CCCCCCNC(=O)CN(C)CC1CCC1 269982a_200000750244_100000230325 [0,0,1,1,0,0|2,0,0]=4 10152 B17R1.25262 CCCCCCNC(=O)CN(C)CC1CCC1 34a_200000750244_100000230325 [0,0,1,1,0,0|2,0,0]=4 10153 B17R1.25263 CCCCCCCC(O)CC(=O)CCC1CC1 1458a_200011667753_100000694398 [0,0,1,1,0,0|1,0,0]=3 10154 B17R1.25263 CCCCCCCC(O)CC(=O)CCC1CO1 1458a_200011667753_100000732470 [0,0,1,1,0,0|2,0,0]=4 10155 B17R1.25263 CCCCCCCC(O)CC(=O)NCC1CC1 1626a_100000735609_200011667753 [0,0,1,1,0,0|2,0,0]=4 10156 B17R1.25263 CCCCCCCC(O)CC(=O)NCC1CC1 240690a_100000735609_200011667753 [0,0,1,1,0,0|2,0,0]=4 10157 B17R1.25264 CCCCCCCC(O)CC(=O)N1CCC1C 240690a_100000755817_200011667753 [0,0,1,1,0,0|2,0,0]=4 10158 B17R1.32122 CCCCCC(C)NC(=O)COCC1CC1C 34a_100000744939_100000230335 [0,0,1,1,0,0|2,0,0]=4 10159 B17R1.32122 CCCCCC(C)NC(=O)COCC1CC1C 7a_100000744939_100000230335 [0,0,1,1,0,0|2,0,0]=4 10160 B17R1.32122 CCCCCC(C)OC(=O)COCC1CC1C 34a_100000744939_200000092394 [0,0,1,1,0,0|2,0,0]=4 10161 B17R1.32122 CCCCCC(C)OC(=O)COCC1CC1C 7a_100000744939_200000092394 [0,0,1,1,0,0|2,0,0]=4 10162 B17R1.43276 CC(CC(=O)CCCCF)N1CCCCCC1 1458a_100015185830_100000729493 [0,0,1,1,0,0|2,0,0]=4 10163 B17R1.43276 CC(CC(=O)CCCCO)N1CCCCCC1 1458a_100015185830_100000210776 [0,0,1,1,0,0|2,0,0]=4 10164 B17R1.43276 CCCCCC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_200012276598 [0,0,1,1,0,0|1,0,1]=4 10165 B17R1.43276 CCCCCC(=O)CC(C)N1CCCCCC1 1458a_100015185830_100000210326 [0,0,1,1,0,0|1,0,0]=3 10166 B17R1.43276 CCCCCC(=O)CN(C)C1CCCCCC1 2230a_100015185097_200012276598 [0,0,1,1,0,0|1,0,0]=3 10167 B17R1.43276 CCCCCC(=O)CN(C)C1CCCCCC1 269982a_100015185097_200012276598 [0,0,1,1,0,0|1,0,0]=3 10168 B17R1.43276 CCCCCC(=O)CN(C)C1CCCCCC1 34a_100015185097_200012276598 [0,0,1,1,0,0|1,0,0]=3 10169 B17R1.43276 CCCCCC(C)NC(=O)C1CCCCCC1 11a_100000211957_100000749507 [0,0,1,1,0,0|1,0,0]=3 10170 B17R1.43276 CCCCCC(C)NC(=O)C1CCCCCC1 1626a_100000211957_100000749507 [0,0,1,1,0,0|1,0,0]=3 10171 B17R1.43276 CCCCCC(C)NC(=O)C1CCCCCC1 240690a_100000211957_100000749507 [0,0,1,1,0,0|1,0,0]=3 10172 B17R1.43276 CCCCCC(C)NC(=O)C1CCCCCC1 527a_100000211957_100000749507 [0,0,1,1,0,0|1,0,0]=3 10173 B17R1.43276 CCCCCC(C)NC(=O)N1CCCCCC1 2708a_100000211957_100000185865 [0,0,1,1,0,0|2,0,0]=4 10174 B17R1.43276 CCCCCC(C)NC(=O)N1CCCCCC1 273464a_100000211957_100000185865 [0,0,1,1,0,0|2,0,0]=4 10175 B17R1.43276 CCCCCN(C)CC(=O)N1CCCCCC1 2230a_100000223495_100000182869 [0,0,1,1,0,0|2,0,0]=4 10176 B17R1.43276 CCCCCN(C)CC(=O)N1CCCCCC1 269982a_100000223495_100000182869 [0,0,1,1,0,0|2,0,0]=4 10177 B17R1.43276 CCCCNC(=O)CC(C)N1CCCCCC1 240690a_100000102301_100015185830 [0,0,1,1,0,0|2,0,0]=4 10178 B17R1.43276 CCCCNC(=O)CN(C)C1CCCCCC1 2230a_100015185097_100000182744 [0,0,1,1,0,0|2,0,0]=4 10179 B17R1.43276 CCCCNC(=O)CN(C)C1CCCCCC1 269982a_100015185097_100000182744 [0,0,1,1,0,0|2,0,0]=4 10180 B17R1.43276 CCCCNC(=O)CN(C)C1CCCCCC1 269982a_200000213093_100011217769 [0,0,1,1,0,0|2,0,0]=4 10181 B17R1.43276 CCCCNC(=O)CN(C)C1CCCCCC1 270004a_200000213093_100000210131 [0,0,1,1,0,0|2,0,0]=4 10182 B17R1.43276 CCCCNC(=O)CN(C)C1CCCCCC1 34a_100015185097_100000182744 [0,0,1,1,0,0|2,0,0]=4 10183 B17R1.43276 CCCCOC(=O)CN(C)C1CCCCCC1 2230a_100015185097_100000211628 [0,0,1,1,0,0|2,0,0]=4 10184 B17R1.43276 CCCCOC(=O)CN(C)C1CCCCCC1 269982a_100015185097_100000211628 [0,0,1,1,0,0|2,0,0]=4 10185 B17R1.43276 CCCCOC(=O)CN(C)C1CCCCCC1 34a_100015185097_100000211628 [0,0,1,1,0,0|2,0,0]=4 10186 B17R1.43276 CCOCCC(=O)CC(C)N1CCCCCC1 1458a_100015185830_100011215890 [0,0,1,1,0,0|2,0,0]=4 10187 B17R1.43276 CCSCCC(=O)CC(C)N1CCCCCC1 1458a_100015185830_100000757381 [0,0,1,1,0,0|2,0,0]=4 10188 B17R1.43276 COCCCC(=O)CC(C)N1CCCCCC1 1458a_100015185830_100000740836 [0,0,1,1,0,0|2,0,0]=4 10189 B17R1.66922 C#CCCCCCC(=O)CC1CCCCCC1 1458a_100000685095_100012094781 [0,0,1,1,0,0|0,0,2]=4 10190 B17R1.66922 C#CCCCCCC(=O)CC1CCCCCC1 1458a_100000694772_200000696569 [0,0,1,1,0,0|0,0,2]=4 10191 B17R1.66922 C=CCCCCCC(=O)CC1CCCCCC1 1458a_100000685095_100000700193 [0,0,1,1,0,0|0,0,2]=4 10192 B17R1.66922 C=CCCCCCC(=O)CC1CCCCCC1 1458a_100011934241_200000696569 [0,0,1,1,0,0|0,0,2]=4 10193 B17R1.66922 CCCC/C=C/CC(=O)CC1CCCCCC1 1458a_200016282684_200000696569 [0,0,1,1,0,0|0,0,2]=4 10194 B17R1.66922 CCCCCC#CC(=O)CC1CCCCCC1 1458a_100011215388_200000696569 [0,0,1,1,0,0|0,0,2]=4 10195 B17R1.66922 CCCCCC=CC(=O)CC1CCCCCC1 1458a_100016263427_200000696569 [0,0,1,1,0,0|0,0,2]=4 10196 B17R1.66922 CCCCCCCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210614 [0,0,1,1,0,0|0,0,2]=4 10197 B17R1.66922 CCCCCCCC(=O)CC1CCCCCC1 1458a_100000211969_200000696569 [0,0,1,1,0,0|0,0,0]=2 10198 B17R1.66922 CCCCCCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210614 [0,0,1,1,0,0|0,0,0]=2 10199 B17R1.66922 CCCCCCCC(=O)CN1CCCCCC1 1458a_100000740298_100000210614 [0,0,1,1,0,0|1,0,0]=3 10200 B17R1.66922 CCCCCCCC(=O)NC1CCCCCC1 11a_100000210984_100000211969 [0,0,1,1,0,0|1,0,0]=3 10201 B17R1.66922 CCCCCCCC(=O)NC1CCCCCC1 1626a_100000210984_100000211969 [0,0,1,1,0,0|1,0,0]=3 10202 B17R1.66922 CCCCCCCC(=O)NC1CCCCCC1 240690a_100000210984_100000211969 [0,0,1,1,0,0|1,0,0]=3 10203 B17R1.66922 CCCCCCCC(=O)NC1CCCCCC1 527a_100000210984_100000211969 [0,0,1,1,0,0|1,0,0]=3 10204 B17R1.66922 CCCCCCCN(C)CC1CCCCCC1 2230a_100000228206_200000696569 [0,0,1,1,0,0|2,0,0]=4 10205 B17R1.66922 CCCCCCCN(C)CC1CCCCCC1 269982a_100000228206_200000696569 [0,0,1,1,0,0|2,0,0]=4 10206 B17R1.66922 CCCCCCNC(=O)CC1CCCCCC1 11a_100000210581_100000685095 [0,0,1,1,0,0|1,0,0]=3 10207 B17R1.66922 CCCCCCNC(=O)CC1CCCCCC1 1626a_100000210581_100000685095 [0,0,1,1,0,0|1,0,0]=3 10208 B17R1.66922 CCCCCCNC(=O)CC1CCCCCC1 240690a_100000210581_100000685095 [0,0,1,1,0,0|1,0,0]=3 10209 B17R1.66922 CCCCCCNC(=O)CC1CCCCCC1 527a_100000210581_100000685095 [0,0,1,1,0,0|1,0,0]=3 10210 B17R1.66922 CCCCCCNC(=O)CN1CCCCCC1 11a_100000210581_100000740298 [0,0,1,1,0,0|2,0,0]=4 10211 B17R1.66922 CCCCCCNC(=O)CN1CCCCCC1 2230a_100000185865_100000230325 [0,0,1,1,0,0|2,0,0]=4 10212 B17R1.66922 CCCCCCNC(=O)CN1CCCCCC1 240690a_100000210581_100000740298 [0,0,1,1,0,0|2,0,0]=4 10213 B17R1.66922 CCCCCCNC(=O)CN1CCCCCC1 269982a_100000185865_100000230325 [0,0,1,1,0,0|2,0,0]=4 10214 B17R1.66922 CCCCCCNC(=O)CN1CCCCCC1 34a_100000185865_100000230325 [0,0,1,1,0,0|2,0,0]=4 10215 B17R1.66922 CCCCCCNC(=O)CN1CCCCCC1 527a_100000210581_100000740298 [0,0,1,1,0,0|2,0,0]=4 10216 B17R1.66922 CCCCCCNC(=O)NC1CCCCCC1 2708a_100000210581_100000210984 [0,0,1,1,0,0|2,0,0]=4 10217 B17R1.66922 CCCCCCNC(=O)NC1CCCCCC1 2708a_100000210984_100000210581 [0,0,1,1,0,0|2,0,0]=4 10218 B17R1.66922 CCCCCCNC(=O)NC1CCCCCC1 273464a_100000210581_100000210984 [0,0,1,1,0,0|2,0,0]=4 10219 B17R1.66922 CCCCCCNC(=O)NC1CCCCCC1 273464a_100000210984_100000210581 [0,0,1,1,0,0|2,0,0]=4 10220 B17R1.66922 CCCCCCNC(=O)NC1CCCCCC1 512a_100000210581_100000210984 [0,0,1,1,0,0|2,0,0]=4 10221 B17R1.66922 CCCCCNCC(=O)NC1CCCCCC1 2230a_100000209983_100000183474 [0,0,1,1,0,0|2,0,0]=4 10222 B17R1.66922 CCCCCNNC(=O)CC1CCCCCC1 22a_100000694160_100000685095 [0,0,1,1,0,0|2,0,0]=4 10223 B17R1.66922 CCCCCOCC(=O)NC1CCCCCC1 34a_100000210253_100000183474 [0,0,1,1,0,0|2,0,0]=4 10224 B17R1.66922 CCCCCOCC(=O)NC1CCCCCC1 7a_100000210253_100000183474 [0,0,1,1,0,0|2,0,0]=4 10225 B17R1.66922 CCCCCSCC(=O)NC1CCCCCC1 62a_100000183474_100000210326 [0,0,1,1,0,0|2,0,0]=4 10226 B17R1.66922 CCCCCSCC(=O)NC1CCCCCC1 62a_100000210326_100000183474 [0,0,1,1,0,0|2,0,0]=4 10227 B17R1.66922 CCCCNCCC(=O)NC1CCCCCC1 2230a_100000102301_200011271707 [0,0,1,1,0,0|2,0,0]=4 10228 B17R1.66922 CCCCNCCC(=O)NC1CCCCCC1 7a_106832991798_200011271707 [0,0,1,1,0,0|2,0,0]=4 10229 B17R1.66922 CCCCOCCC(=O)CC1CCCCCC1 1458a_100000685095_100000743108 [0,0,1,1,0,0|1,0,0]=3 10230 B17R1.66922 CCCCOCCC(=O)CN1CCCCCC1 1458a_100000740298_100000743108 [0,0,1,1,0,0|2,0,0]=4 10231 B17R1.66922 CCCCOCCC(=O)NC1CCCCCC1 7a_100000210227_200011271707 [0,0,1,1,0,0|2,0,0]=4 10232 B17R1.66922 CCCCSCCC(=O)NC1CCCCCC1 62a_100000210211_200011271707 [0,0,1,1,0,0|2,0,0]=4 10233 B17R1.66922 CCCCSCCC(=O)NC1CCCCCC1 62a_200011271707_100000210210 [0,0,1,1,0,0|2,0,0]=4 10234 B17R1.66922 CCCOCCNC(=O)CC1CCCCCC1 1626a_100161115042_100000685095 [0,0,1,1,0,0|2,0,0]=4 10235 B17R1.66922 CCCOCCNC(=O)CC1CCCCCC1 240690a_100161115042_100000685095 [0,0,1,1,0,0|2,0,0]=4 10236 B17R1.66922 CCCOCCNC(=O)CC1CCCCCC1 527a_100161115042_100000685095 [0,0,1,1,0,0|2,0,0]=4 10237 B17R1.66922 CCCSCCNC(=O)CC1CCCCCC1 11a_100020603323_100000685095 [0,0,1,1,0,0|2,0,0]=4 10238 B17R1.66922 CCCSCCNC(=O)CC1CCCCCC1 240690a_100020603323_100000685095 [0,0,1,1,0,0|2,0,0]=4 10239 B17R1.66922 CCCSCCNC(=O)CC1CCCCCC1 527a_100020603323_100000685095 [0,0,1,1,0,0|2,0,0]=4 10240 B17R1.66922 CCOCCCNC(=O)CC1CCCCCC1 11a_100000210961_100000685095 [0,0,1,1,0,0|2,0,0]=4 10241 B17R1.66922 CCOCCCNC(=O)CC1CCCCCC1 1626a_100000210961_100000685095 [0,0,1,1,0,0|2,0,0]=4 10242 B17R1.66922 CCOCCCNC(=O)CC1CCCCCC1 240690a_100000210961_100000685095 [0,0,1,1,0,0|2,0,0]=4 10243 B17R1.66922 CCOCCCNC(=O)CC1CCCCCC1 527a_100000210961_100000685095 [0,0,1,1,0,0|2,0,0]=4 10244 B17R1.66922 COCCCCCC(=O)CC1CCCCCC1 1458a_100011935119_200000696569 [0,0,1,1,0,0|1,0,0]=3 10245 B17R1.66922 COCCCCCC(=O)NC1CCCCCC1 11a_100000210984_100011935119 [0,0,1,1,0,0|2,0,0]=4 10246 B17R1.66922 COCCCCCC(=O)NC1CCCCCC1 1626a_100000210984_100011935119 [0,0,1,1,0,0|2,0,0]=4 10247 B17R1.66922 COCCCCCC(=O)NC1CCCCCC1 240690a_100000210984_100011935119 [0,0,1,1,0,0|2,0,0]=4 10248 B17R1.66922 COCCCCCC(=O)NC1CCCCCC1 527a_100000210984_100011935119 [0,0,1,1,0,0|2,0,0]=4 10249 B17R1.66922 COCCOCCC(=O)CC1CCCCCC1 1458a_100000685095_100000695917 [0,0,1,1,0,0|2,0,0]=4 10250 B17R1.66922 COCCOCCC(=O)CC1CCCCCC1 1458a_100000745395_200000696569 [0,0,1,1,0,0|2,0,0]=4 10251 B17R1.66922 N#CCCCCCC(=O)CC1CCCCCC1 1458a_100000685095_100009813376 [0,0,1,1,0,0|1,0,1]=4 10252 B17R1.66922 O=C(CC1CCCCCC1)NCCCCCO 240690a_100000762737_100000685095 [0,0,1,1,0,0|2,0,0]=4 10253 B17R1.66922 O=C(CCCCCCF)CC1CCCCCC1 1458a_100000685095_100015922095 [0,0,1,1,0,0|1,0,0]=3 10254 B17R1.66922 O=C(CCCCCCF)CN1CCCCCC1 1458a_100000740298_100015922095 [0,0,1,1,0,0|2,0,0]=4 10255 B17R1.66922 O=C(CCCCCCO)CC1CCCCCC1 1458a_100000685095_100000766143 [0,0,1,1,0,0|1,0,0]=3 10256 B17R1.66922 O=C(CCCCCCO)CC1CCCCCC1 1458a_100011996774_200000696569 [0,0,1,1,0,0|1,0,0]=3 10257 B17R1.66922 O=C(CCCCCCO)CN1CCCCCC1 1458a_100000740298_100000766143 [0,0,1,1,0,0|2,0,0]=4 10258 B17R1.66922 O=C(CCCCCCO)NC1CCCCCC1 240690a_100000210984_100011996774 [0,0,1,1,0,0|2,0,0]=4 10259 B17R1.66927 CCCCCCCC(=O)NC1CC(C1)COC 11a_100012180050_100000211969 [0,0,1,1,0,0|2,0,0]=4 10260 B17R1.66927 CCCCCCCC(=O)NC1CC(C1)COC 1626a_100012180050_100000211969 [0,0,1,1,0,0|2,0,0]=4 10261 B17R1.66927 CCCCCCCC(=O)NC1CC(C1)COC 240690a_100012180050_100000211969 [0,0,1,1,0,0|2,0,0]=4 10262 B17R1.66927 CCCCCCCC(=O)NC1CC(C1)COC 527a_100012180050_100000211969 [0,0,1,1,0,0|2,0,0]=4 10263 B17R1.112072 CC1(CCCCC1)NC(=O)CCCCCCO 240690a_100000741114_100011996774 [0,0,1,1,0,0|2,0,0]=4 10264 B17R1.112072 CCCCCCCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210614 [0,0,1,1,0,0|1,0,0]=3 10265 B17R1.112072 CCCCCCCC(=O)NC1(CCCCC1)C 11a_100000741114_100000211969 [0,0,1,1,0,0|1,0,0]=3 10266 B17R1.112072 CCCCCCCC(=O)NC1(CCCCC1)C 1626a_100000741114_100000211969 [0,0,1,1,0,0|1,0,0]=3 10267 B17R1.112072 CCCCCCCC(=O)NC1(CCCCC1)C 240690a_100000741114_100000211969 [0,0,1,1,0,0|1,0,0]=3 10268 B17R1.112072 CCCCCCCC(=O)NC1(CCCCC1)C 527a_100000741114_100000211969 [0,0,1,1,0,0|1,0,0]=3 10269 B17R1.112072 CCCCCCCC(=O)NC1(CCOCC1)C 11a_100000692449_100000211969 [0,0,1,1,0,0|2,0,0]=4 10270 B17R1.112072 CCCCCCCC(=O)NC1(CCOCC1)C 1626a_100000692449_100000211969 [0,0,1,1,0,0|2,0,0]=4 10271 B17R1.112072 CCCCCCCC(=O)NC1(CCOCC1)C 240690a_100000692449_100000211969 [0,0,1,1,0,0|2,0,0]=4 10272 B17R1.112072 CCCCCCCC(=O)NC1(CCOCC1)C 527a_100000692449_100000211969 [0,0,1,1,0,0|2,0,0]=4 10273 B17R1.112072 CCCCCCNC(=O)CC1(CCCCC1)O 240690a_100000210581_100000755886 [0,0,1,1,0,0|2,0,0]=4 10274 B17R1.112072 CCCCCCNC(=O)CC1(CCCCC1)O 527a_100000210581_100000755886 [0,0,1,1,0,0|2,0,0]=4 10275 B17R1.112072 CCCCCCNC(=O)NC1(CCCCC1)C 2708a_100000210581_100000741114 [0,0,1,1,0,0|2,0,0]=4 10276 B17R1.112072 CCCCCCNC(=O)NC1(CCCCC1)C 273464a_100000210581_100000741114 [0,0,1,1,0,0|2,0,0]=4 10277 B17R1.112072 CCCCCCNC(=O)NC1(CCCCC1)C 273464a_100000741114_100000210581 [0,0,1,1,0,0|2,0,0]=4 10278 B17R1.112072 CCCCCCNC(=O)NC1(CCCCC1)C 512a_100000741114_100000210581 [0,0,1,1,0,0|2,0,0]=4 10279 B17R1.112072 CCCCOCCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000743108 [0,0,1,1,0,0|2,0,0]=4 10280 B17R1.112072 COCCCCCC(=O)NC1(CCCCC1)C 11a_100000741114_100011935119 [0,0,1,1,0,0|2,0,0]=4 10281 B17R1.112072 COCCCCCC(=O)NC1(CCCCC1)C 1626a_100000741114_100011935119 [0,0,1,1,0,0|2,0,0]=4 10282 B17R1.112072 COCCCCCC(=O)NC1(CCCCC1)C 240690a_100000741114_100011935119 [0,0,1,1,0,0|2,0,0]=4 10283 B17R1.112072 COCCCCCC(=O)NC1(CCCCC1)C 527a_100000741114_100011935119 [0,0,1,1,0,0|2,0,0]=4 10284 B17R1.112072 O=C(CCCCCCF)CC1(CCCCC1)O 1458a_100000755886_100015922095 [0,0,1,1,0,0|2,0,0]=4 10285 B17R1.112072 O=C(CCCCCCO)CC1(CCCCC1)O 1458a_100000755886_100000766143 [0,0,1,1,0,0|2,0,0]=4 10286 B17R1.269097 CC1CCCC(N1C(=O)CCCCCCO)C 240690a_100000210447_100011996774 [0,0,1,1,0,0|2,0,0]=4 10287 B17R1.269097 CCCCCCCC(=O)N1C(CCCC1C)C 11a_100000210447_100000211969 [0,0,1,1,0,0|1,0,0]=3 10288 B17R1.269097 CCCCCCCC(=O)N1C(CCCC1C)C 240690a_100000210447_100000211969 [0,0,1,1,0,0|1,0,0]=3 10289 B17R1.269097 CCCCCCCC(=O)N1[C@@H](COC[C@@H]1C)C 11a_100103153222_100000211969 [0,0,1,1,0,0|2,0,0]=4 10290 B17R1.269097 CCCCCCCC(=O)N1[C@@H](COC[C@@H]1C)C 240690a_100103153222_100000211969 [0,0,1,1,0,0|2,0,0]=4 10291 B17R1.269097 CCCCCCCN(C)C1C(CCCC1C)C 2230a_200000753723_100000210681 [0,0,1,1,0,0|2,0,0]=4 10292 B17R1.269097 CCCCCCCN(C)C1C(CCCC1C)C 269982a_200000753723_100000210681 [0,0,1,1,0,0|2,0,0]=4 10293 B17R1.269097 CCCCCCCN(C)C1C(CCCC1C)C 34a_200000753723_100000210614 [0,0,1,1,0,0|2,0,0]=4 10294 B17R1.269097 CCCCCCNC(=O)N1C(CCCC1C)C 2708a_100000210581_100000210447 [0,0,1,1,0,0|2,0,0]=4 10295 B17R1.269097 CCCCCCNC(=O)N1C(CCCC1C)C 273464a_100000210581_100000210447 [0,0,1,1,0,0|2,0,0]=4 10296 B17R1.269097 COCCCCCC(=O)N1C(CCCC1C)C 11a_100000210447_100011935119 [0,0,1,1,0,0|2,0,0]=4 10297 B17R1.269097 COCCCCCC(=O)N1C(CCCC1C)C 240690a_100000210447_100011935119 [0,0,1,1,0,0|2,0,0]=4 10298 B15R0.3222 C#CCCCCCCCC(=O)C(C)CCC 1458a_100000087357_100000766640 [0,0,1,0,1,0|0,0,2]=4 10299 B15R0.3222 C#CCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100153394163 [0,0,1,0,1,0|0,0,2]=4 10300 B15R0.3222 C=CCC(C)C(=O)CCCCCCCCC 1458a_100011216819_100000210670 [0,0,1,0,1,0|0,0,2]=4 10301 B15R0.3222 C=CCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100012355270 [0,0,1,0,1,0|0,0,2]=4 10302 B15R0.3222 C=CCCCCCCCC(=O)C(C)CCC 1458a_100011216160_100000766640 [0,0,1,0,1,0|0,0,2]=4 10303 B15R0.3222 CC/C=C(\C)/C(=O)CCCCCCCCC 1458a_100016988807_100000210670 [0,0,1,0,1,0|0,0,2]=4 10304 B15R0.3222 CCCC(C)C(=O)CCCCCCCCO 1458a_100000210906_100000033203 [0,0,1,0,1,0|1,0,0]=3 10305 B15R0.3222 CCCC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000210906 [0,0,1,0,1,0|2,0,0]=4 10306 B15R0.3222 CCCCC#CCCCC(=O)C(C)CCC 1458a_100000210906_200000047210 [0,0,1,0,1,0|0,0,2]=4 10307 B15R0.3222 CCCCC/C=C/CCC(=O)C(C)CCC 1458a_200015255902_100000766640 [0,0,1,0,1,0|0,0,2]=4 10308 B15R0.3222 CCCCCC/C=C/CC(=O)C(C)CCC 1458a_100020681715_100000766640 [0,0,1,0,1,0|0,0,2]=4 10309 B15R0.3222 CCCCCCCC=CC(=O)C(C)CCC 1458a_200015332781_100000766640 [0,0,1,0,1,0|0,0,2]=4 10310 B15R0.3222 CCCCCCCCCC(=O)C(C)CC#N 1458a_100000210558_100009813641 [0,0,1,0,1,0|1,0,1]=4 10311 B15R0.3222 CCCCCCCCCC(=O)C(C)CCC 1458a_100000210558_100000766640 [0,0,1,0,1,0|0,0,0]=2 10312 B15R0.3222 CCCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210670 [0,0,1,0,1,0|0,0,0]=2 10313 B15R0.3222 CCCCCCCCCC(=O)C(C)CCO 1458a_100000210558_100009893172 [0,0,1,0,1,0|1,0,0]=3 10314 B15R0.3222 CCCCCCCCCC(=O)C(C)COC 1458a_100000210558_100000765312 [0,0,1,0,1,0|1,0,0]=3 10315 B15R0.3222 CCCCCCCCCC(=O)C(C)COC 1458a_100000751857_100000210670 [0,0,1,0,1,0|1,0,0]=3 10316 B15R0.3222 CCCCCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210670 [0,0,1,0,1,0|1,0,0]=3 10317 B15R0.3222 CCCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210670 [0,0,1,0,1,0|1,0,0]=3 10318 B15R0.3222 CCCCCCCCCC(=O)C(C)SCC 1458a_100000230601_100000210670 [0,0,1,0,1,0|1,0,0]=3 10319 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 11a_100000747261_100000210558 [0,0,1,0,1,0|1,0,0]=3 10320 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 1626a_100000747261_100000210558 [0,0,1,0,1,0|1,0,0]=3 10321 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 240690a_100000747261_100000210558 [0,0,1,0,1,0|1,0,0]=3 10322 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 527a_100000747261_100000210558 [0,0,1,0,1,0|1,0,0]=3 10323 B15R0.3222 CCCCCCCCCC(=O)N(C)CCO 240690a_100000210263_100000210558 [0,0,1,0,1,0|2,0,0]=4 10324 B15R0.3222 CCCCCCCCCC(=O)N(C)CCO 527a_100000210263_100000210558 [0,0,1,0,1,0|2,0,0]=4 10325 B15R0.3222 CCCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210670 [0,0,1,0,1,0|1,0,0]=3 10326 B15R0.3222 CCCCCCCCCC(C)N(C)CCC 270004a_100000747261_100011215753 [0,0,1,0,1,0|2,0,0]=4 10327 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 11a_100000232482_100000211992 [0,0,1,0,1,0|1,0,0]=3 10328 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 1626a_100000232482_100000211992 [0,0,1,0,1,0|1,0,0]=3 10329 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 240690a_100000232482_100000211992 [0,0,1,0,1,0|1,0,0]=3 10330 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 527a_100000232482_100000211992 [0,0,1,0,1,0|1,0,0]=3 10331 B15R0.3222 CCCCCCCCCN(C)C(=O)CCO 240690a_100000232482_100011216618 [0,0,1,0,1,0|2,0,0]=4 10332 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 11a_100000232482_100000210968 [0,0,1,0,1,0|2,0,0]=4 10333 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 1626a_100000232482_100000210968 [0,0,1,0,1,0|2,0,0]=4 10334 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 240690a_100000232482_100000210968 [0,0,1,0,1,0|2,0,0]=4 10335 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 527a_100000232482_100000210968 [0,0,1,0,1,0|2,0,0]=4 10336 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 11a_100000232482_100000184570 [0,0,1,0,1,0|2,0,0]=4 10337 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 1626a_100000232482_100000184570 [0,0,1,0,1,0|2,0,0]=4 10338 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 240690a_100000232482_100000184570 [0,0,1,0,1,0|2,0,0]=4 10339 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 527a_100000232482_100000184570 [0,0,1,0,1,0|2,0,0]=4 10340 B15R0.3222 CCCCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000232482 [0,0,1,0,1,0|2,0,0]=4 10341 B15R0.3222 CCCCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000232482 [0,0,1,0,1,0|2,0,0]=4 10342 B15R0.3222 CCCCCCCCCN(C)C(C)CCC 2230a_100000232482_100000766640 [0,0,1,0,1,0|2,0,0]=4 10343 B15R0.3222 CCCCCCCCCN(C)C(C)CCC 269982a_100000232482_100000766640 [0,0,1,0,1,0|2,0,0]=4 10344 B15R0.3222 CCCCCCCCCN(C)C(C)CCC 270004a_100000232482_100000211909 [0,0,1,0,1,0|2,0,0]=4 10345 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 11a_100000229939_100000210906 [0,0,1,0,1,0|1,0,0]=3 10346 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 1626a_100000229939_100000210906 [0,0,1,0,1,0|1,0,0]=3 10347 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 240690a_100000229939_100000210906 [0,0,1,0,1,0|1,0,0]=3 10348 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 527a_100000229939_100000210906 [0,0,1,0,1,0|1,0,0]=3 10349 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 11a_100000229939_100000751857 [0,0,1,0,1,0|2,0,0]=4 10350 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 1626a_100000229939_100000751857 [0,0,1,0,1,0|2,0,0]=4 10351 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 240690a_100000229939_100000751857 [0,0,1,0,1,0|2,0,0]=4 10352 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 527a_100000229939_100000751857 [0,0,1,0,1,0|2,0,0]=4 10353 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 11a_100000229939_100000753918 [0,0,1,0,1,0|2,0,0]=4 10354 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 1626a_100000229939_100000753918 [0,0,1,0,1,0|2,0,0]=4 10355 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 240690a_100000229939_100000753918 [0,0,1,0,1,0|2,0,0]=4 10356 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 527a_100000229939_100000753918 [0,0,1,0,1,0|2,0,0]=4 10357 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 11a_100000229939_100000739345 [0,0,1,0,1,0|2,0,0]=4 10358 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 1626a_100000229939_100000739345 [0,0,1,0,1,0|2,0,0]=4 10359 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 240690a_100000229939_100000739345 [0,0,1,0,1,0|2,0,0]=4 10360 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 527a_100000229939_100000739345 [0,0,1,0,1,0|2,0,0]=4 10361 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 11a_100000229939_100000230601 [0,0,1,0,1,0|2,0,0]=4 10362 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 1626a_100000229939_100000230601 [0,0,1,0,1,0|2,0,0]=4 10363 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 240690a_100000229939_100000230601 [0,0,1,0,1,0|2,0,0]=4 10364 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 527a_100000229939_100000230601 [0,0,1,0,1,0|2,0,0]=4 10365 B15R0.3222 CCCCCCCCNC(=O)N(C)CCC 2708a_100000229939_100000747261 [0,0,1,0,1,0|2,0,0]=4 10366 B15R0.3222 CCCCCCCCNC(=O)N(C)CCC 273464a_100000229939_100000747261 [0,0,1,0,1,0|2,0,0]=4 10367 B15R0.3222 CCCCCCCCNC(=O)[C@@H](O)CCC 240690a_100000229939_100009822183 [0,0,1,0,1,0|2,0,0]=4 10368 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 2230a_100000229939_100000230173 [0,0,1,0,1,0|2,0,0]=4 10369 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210759 [0,0,1,0,1,0|2,0,0]=4 10370 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 34a_100000229939_100000230173 [0,0,1,0,1,0|2,0,0]=4 10371 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210759 [0,0,1,0,1,0|2,0,0]=4 10372 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 2230a_100000229939_100011215307 [0,0,1,0,1,0|2,0,0]=4 10373 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 34a_100000229939_100011216346 [0,0,1,0,1,0|2,0,0]=4 10374 B15R0.3222 CCCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210759 [0,0,1,0,1,0|2,0,0]=4 10375 B15R0.3222 CCCCCCCCOC(C)C(=O)NCC 34a_100000210232_100000230173 [0,0,1,0,1,0|2,0,0]=4 10376 B15R0.3222 CCCCCCCCOC(C)C(=O)NCC 7a_100000210232_100000230173 [0,0,1,0,1,0|2,0,0]=4 10377 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 34a_100000210232_100011216346 [0,0,1,0,1,0|2,0,0]=4 10378 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 7a_100000210232_100011216346 [0,0,1,0,1,0|2,0,0]=4 10379 B15R0.3222 CCCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210759 [0,0,1,0,1,0|2,0,0]=4 10380 B15R0.3222 CCCCCCCCSC(C)C(=O)NCC 62a_100000210759_100000230173 [0,0,1,0,1,0|2,0,0]=4 10381 B15R0.3222 CCCCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210317 [0,0,1,0,1,0|2,0,0]=4 10382 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100000210759_100011216346 [0,0,1,0,1,0|2,0,0]=4 10383 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210317 [0,0,1,0,1,0|2,0,0]=4 10384 B15R0.3222 CCCCOCCCNC(=O)C(C)CCC 1626a_200000211371_100000210906 [0,0,1,0,1,0|2,0,0]=4 10385 B15R0.3222 CCCCOCCCNC(=O)C(C)CCC 240690a_200000211371_100000210906 [0,0,1,0,1,0|2,0,0]=4 10386 B15R0.3222 CCCCOCCCNC(=O)C(C)CCC 527a_200000211371_100000210906 [0,0,1,0,1,0|2,0,0]=4 10387 B15R0.3222 CCCCOCCOCC(=O)C(C)CCC 1458a_100011216887_100000766640 [0,0,1,0,1,0|2,0,0]=4 10388 B15R0.3222 CCCN(C)C(=O)CCCCCCCCO 240690a_100000747261_100000015970 [0,0,1,0,1,0|2,0,0]=4 10389 B15R0.3222 CCC[C@H](O)C(=O)CCCCCCCCO 1458a_100009822183_100000033203 [0,0,1,0,1,0|2,0,0]=4 10390 B15R0.3222 CCOC(C)C(=O)CCCCCCCCO 1458a_100000739345_100000033203 [0,0,1,0,1,0|2,0,0]=4 10391 B15R0.3222 CCSC(C)C(=O)CCCCCCCCO 1458a_100000230601_100000033203 [0,0,1,0,1,0|2,0,0]=4 10392 B15R0.3222 COCC(C)C(=O)CCCCCCCCO 1458a_100000751857_100000033203 [0,0,1,0,1,0|2,0,0]=4 10393 B15R0.3222 CSCC(C)C(=O)CCCCCCCCO 1458a_100000753918_100000033203 [0,0,1,0,1,0|2,0,0]=4 10394 B15R0.1954 C#CCCCCC(=O)C(C)CCCCCC 1458a_100000696528_100011215978 [0,0,1,0,1,0|0,0,2]=4 10395 B15R0.1954 C=CCCCCC(=O)C(C)CCCCCC 1458a_100011215552_100011215978 [0,0,1,0,1,0|0,0,2]=4 10396 B15R0.1954 CCC/C=C/CC(=O)C(C)CCCCCC 1458a_200016266809_100011215978 [0,0,1,0,1,0|0,0,2]=4 10397 B15R0.1954 CCCCC=CC(=O)C(C)CCCCCC 1458a_100016266645_100011215978 [0,0,1,0,1,0|0,0,2]=4 10398 B15R0.1954 CCCCCCC(=O)C(C)CCCCCC 1458a_100102632555_100011215978 [0,0,1,0,1,0|0,0,0]=2 10399 B15R0.1954 CCCCCCC(=O)C(C)OCCOCC 1458a_100000743585_100000210757 [0,0,1,0,1,0|2,0,0]=4 10400 B15R0.1954 CCCCCCC(=O)C(O)CCCCCC 1458a_100011215828_100000210757 [0,0,1,0,1,0|1,0,0]=3 10401 B15R0.1954 CCCCCCC(=O)N(C)CCCCCC 11a_106256046315_100102632555 [0,0,1,0,1,0|1,0,0]=3 10402 B15R0.1954 CCCCCCC(=O)N(C)CCCCCC 1626a_106256046315_100102632555 [0,0,1,0,1,0|1,0,0]=3 10403 B15R0.1954 CCCCCCC(=O)N(C)CCCCCC 240690a_106256046315_100102632555 [0,0,1,0,1,0|1,0,0]=3 10404 B15R0.1954 CCCCCCC(=O)N(C)CCCCCC 527a_106256046315_100102632555 [0,0,1,0,1,0|1,0,0]=3 10405 B15R0.1954 CCCCCCC(=O)N(C)CCCCCO 240690a_100000722520_100102632555 [0,0,1,0,1,0|2,0,0]=4 10406 B15R0.1954 CCCCCCC(C)C(=O)CCCCCO 1458a_100102619762_100011215978 [0,0,1,0,1,0|1,0,0]=3 10407 B15R0.1954 CCCCCCC(C)C(=O)CCOCCO 1458a_100011229844_100011215978 [0,0,1,0,1,0|2,0,0]=4 10408 B15R0.1954 CCCCCCC(C)C(=O)COCCCC 1458a_100000757543_100011215978 [0,0,1,0,1,0|1,0,0]=3 10409 B15R0.1954 CCCCCCC(C)C(=O)COCCOC 1458a_100000211095_100011215978 [0,0,1,0,1,0|2,0,0]=4 10410 B15R0.1954 CCCCCCC(C)C(=O)CSCCCC 1458a_100000191162_100011215978 [0,0,1,0,1,0|1,0,0]=3 10411 B15R0.1954 CCCCCCC(C)N(C)CCCCCC 2230a_106256046315_100011215978 [0,0,1,0,1,0|2,0,0]=4 10412 B15R0.1954 CCCCCCC(C)N(C)CCCCCC 269982a_106256046315_100011215978 [0,0,1,0,1,0|2,0,0]=4 10413 B15R0.1954 CCCCCCC(C)N(C)CCCCCC 270004a_106256046315_100000210826 [0,0,1,0,1,0|2,0,0]=4 10414 B15R0.1954 CCCCCCC(O)C(=O)CCCCCF 1458a_100011215828_100000729378 [0,0,1,0,1,0|2,0,0]=4 10415 B15R0.1954 CCCCCCC(O)C(=O)CCCCCO 1458a_100011215828_100000746330 [0,0,1,0,1,0|2,0,0]=4 10416 B15R0.1954 CCCCCCC(O)C(=O)CCCCOC 1458a_100011215828_100000755781 [0,0,1,0,1,0|2,0,0]=4 10417 B15R0.1954 CCCCCCC(O)C(=O)CCCOCC 1458a_100011215828_100012232248 [0,0,1,0,1,0|2,0,0]=4 10418 B15R0.1954 CCCCCCC(O)C(=O)CCOCCC 1458a_100011215828_100011215938 [0,0,1,0,1,0|2,0,0]=4 10419 B15R0.1954 CCCCCCC(O)C(=O)COCCCC 1458a_100011215828_100011995733 [0,0,1,0,1,0|2,0,0]=4 10420 B15R0.1954 CCCCCCC(O)C(=O)NCCCCC 240690a_100000209983_100011215828 [0,0,1,0,1,0|2,0,0]=4 10421 B15R0.1954 CCCCCCN(C)C(=O)CCCCCO 240690a_106256046315_100102619762 [0,0,1,0,1,0|2,0,0]=4 10422 B15R0.1954 CCCCCCN(C)C(=O)COCCCC 11a_106256046315_100000757543 [0,0,1,0,1,0|2,0,0]=4 10423 B15R0.1954 CCCCCCN(C)C(=O)COCCCC 1626a_106256046315_100000757543 [0,0,1,0,1,0|2,0,0]=4 10424 B15R0.1954 CCCCCCN(C)C(=O)COCCCC 240690a_106256046315_100000757543 [0,0,1,0,1,0|2,0,0]=4 10425 B15R0.1954 CCCCCCN(C)C(=O)COCCCC 527a_106256046315_100000757543 [0,0,1,0,1,0|2,0,0]=4 10426 B15R0.1954 CCCCCCN(C)C(=O)CSCCCC 11a_106256046315_100000191162 [0,0,1,0,1,0|2,0,0]=4 10427 B15R0.1954 CCCCCCN(C)C(=O)CSCCCC 1626a_106256046315_100000191162 [0,0,1,0,1,0|2,0,0]=4 10428 B15R0.1954 CCCCCCN(C)C(=O)CSCCCC 240690a_106256046315_100000191162 [0,0,1,0,1,0|2,0,0]=4 10429 B15R0.1954 CCCCCCN(C)C(=O)CSCCCC 527a_106256046315_100000191162 [0,0,1,0,1,0|2,0,0]=4 10430 B15R0.1954 CCCCCCN(C)C(=O)NCCCCC 2708a_100000209983_106256046315 [0,0,1,0,1,0|2,0,0]=4 10431 B15R0.1954 CCCCCCN(C)C(=O)NCCCCC 273464a_100000209983_106256046315 [0,0,1,0,1,0|2,0,0]=4 10432 B15R0.1954 CCCCCNC(=O)C(C)NCCCCC 2230a_100000209983_100000735910 [0,0,1,0,1,0|2,0,0]=4 10433 B15R0.1954 CCCCCNC(=O)C(C)OCCCCC 7a_100000210253_100000735910 [0,0,1,0,1,0|2,0,0]=4 10434 B15R0.1954 CCCCCNC(=O)C(C)SCCCCC 62a_100000210326_100000735910 [0,0,1,0,1,0|2,0,0]=4 10435 B15R0.1954 CCCCCNC(=O)C(C)SCCCCC 62a_100000735910_100000210326 [0,0,1,0,1,0|2,0,0]=4 10436 B15R0.84 C=C(C)C(=O)CCCCCCCCCCC 1458a_100000185857_100011215454 [0,0,1,0,1,0|0,0,2]=4 10437 B15R0.84 C=C(C)C(C)NCCCCCCCCCC 269862a_100000684558_100011216138 [0,0,1,0,1,0|2,0,0]=4 10438 B15R0.84 C=CCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100009814027 [0,0,1,0,1,0|0,0,2]=4 10439 B15R0.84 CC(=O)C(C)COCCCCCCCCO 34a_100000032740_100000033203 [0,0,1,0,1,0|2,0,0]=4 10440 B15R0.84 CC(=O)C(C)COCCCCCCCCO 7a_100000032740_100000033203 [0,0,1,0,1,0|2,0,0]=4 10441 B15R0.84 CC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100009814033 [0,0,1,0,1,0|2,0,0]=4 10442 B15R0.84 CC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000179758 [0,0,1,0,1,0|2,0,0]=4 10443 B15R0.84 CC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000179758 [0,0,1,0,1,0|2,0,0]=4 10444 B15R0.84 CC(=O)C(C)OCCCCCCCCCO 34a_100000212229_100009813782 [0,0,1,0,1,0|2,0,0]=4 10445 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100009814033 [0,0,1,0,1,0|2,0,0]=4 10446 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009814033_100009813782 [0,0,1,0,1,0|2,0,0]=4 10447 B15R0.84 CC(C)C(=O)CCCCCCCCCCO 1458a_100000210198_100009813290 [0,0,1,0,1,0|1,0,0]=3 10448 B15R0.84 CC(C)C(=O)CNCCCCCCCCO 2230a_102515433106_100000753385 [0,0,1,0,1,0|2,0,0]=4 10449 B15R0.84 CC(C)C(=O)CNCCCCCCCCO 34a_102515433106_100000753385 [0,0,1,0,1,0|2,0,0]=4 10450 B15R0.84 CC(C)C(=O)COCCCCCCCCBr 34a_100009813846_100000753385 [0,0,1,0,1,0|2,0,0]=4 10451 B15R0.84 CC(C)C(=O)COCCCCCCCCBr 7a_100009813846_100000753385 [0,0,1,0,1,0|2,0,0]=4 10452 B15R0.84 CC(C)C(=O)COCCCCCCCCCl 34a_100000033203_100000753385 [0,0,1,0,1,0|2,0,0]=4 10453 B15R0.84 CC(C)C(=O)COCCCCCCCCCl 7a_100000033203_100000753385 [0,0,1,0,1,0|2,0,0]=4 10454 B15R0.84 CC(C)C(=O)COCCCCCCCCN 34a_102515433106_100000753385 [0,0,1,0,1,0|2,0,0]=4 10455 B15R0.84 CC(C)C(=O)CSCCCCCCCCO 62a_100000033203_100000753385 [0,0,1,0,1,0|2,0,0]=4 10456 B15R0.84 CC(C)C(=O)CSCCCCCCCCO 62a_100000753385_100000033203 [0,0,1,0,1,0|2,0,0]=4 10457 B15R0.84 CC(C)C(=O)NCCCCCCCCCO 240690a_100000078944_100000210198 [0,0,1,0,1,0|2,0,0]=4 10458 B15R0.84 CC(F)C(=O)CCCCCCCCCCO 1458a_100000062450_100009813290 [0,0,1,0,1,0|2,0,0]=4 10459 B15R0.84 CCCCCCCCCC=CC(=O)C(C)C 1458a_200015352897_100000210206 [0,0,1,0,1,0|0,0,2]=4 10460 B15R0.84 CCCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100011215454 [0,0,1,0,1,0|0,0,0]=2 10461 B15R0.84 CCCCCCCCCCCC(=O)C(C)C 1458a_100000210736_100000210206 [0,0,1,0,1,0|0,0,0]=2 10462 B15R0.84 CCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100011215454 [0,0,1,0,1,0|1,0,0]=3 10463 B15R0.84 CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011215454 [0,0,1,0,1,0|2,0,0]=4 10464 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210736 [0,0,1,0,1,0|1,0,0]=3 10465 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210736 [0,0,1,0,1,0|1,0,0]=3 10466 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210736 [0,0,1,0,1,0|1,0,0]=3 10467 B15R0.84 CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215454 [0,0,1,0,1,0|1,0,0]=3 10468 B15R0.84 CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215454 [0,0,1,0,1,0|1,0,0]=3 10469 B15R0.84 CCCCCCCCCCCC(C)N(C)C 270004a_100102631434_100011216755 [0,0,1,0,1,0|2,0,0]=4 10470 B15R0.84 CCCCCCCCCCCN(C)C(C)C 269982a_200000211004_100011215454 [0,0,1,0,1,0|2,0,0]=4 10471 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 11a_100000684558_100000210198 [0,0,1,0,1,0|1,0,0]=3 10472 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 1626a_100000684558_100000210198 [0,0,1,0,1,0|1,0,0]=3 10473 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 240690a_100000684558_100000210198 [0,0,1,0,1,0|1,0,0]=3 10474 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 527a_100000684558_100000210198 [0,0,1,0,1,0|1,0,0]=3 10475 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 11a_100000684558_100000062450 [0,0,1,0,1,0|2,0,0]=4 10476 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 1626a_100000684558_100000062450 [0,0,1,0,1,0|2,0,0]=4 10477 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 240690a_100000684558_100000062450 [0,0,1,0,1,0|2,0,0]=4 10478 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 527a_100000684558_100000062450 [0,0,1,0,1,0|2,0,0]=4 10479 B15R0.84 CCCCCCCCCCNC(=O)N(C)C 2708a_100000684558_100102631434 [0,0,1,0,1,0|2,0,0]=4 10480 B15R0.84 CCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000684558_100000717761 [0,0,1,0,1,0|2,0,0]=4 10481 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000684558_217856618621 [0,0,1,0,1,0|2,0,0]=4 10482 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000684558_217856618621 [0,0,1,0,1,0|2,0,0]=4 10483 B15R0.84 CCCCCCCCCCNC(C)C(=O)C 2230a_100000684558_100009814033 [0,0,1,0,1,0|1,0,0]=3 10484 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 2230a_100000684558_100000702099 [0,0,1,0,1,0|2,0,0]=4 10485 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 34a_100000684558_100000702099 [0,0,1,0,1,0|2,0,0]=4 10486 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [0,0,1,0,1,0|2,0,0]=4 10487 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210320 [0,0,1,0,1,0|2,0,0]=4 10488 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210320 [0,0,1,0,1,0|2,0,0]=4 10489 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210320 [0,0,1,0,1,0|1,0,0]=3 10490 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 7a_100000210711_100000179758 [0,0,1,0,1,0|1,0,0]=3 10491 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 34a_100000210711_100000702099 [0,0,1,0,1,0|2,0,0]=4 10492 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 7a_100000210711_100000702099 [0,0,1,0,1,0|2,0,0]=4 10493 B15R0.84 CCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210320 [0,0,1,0,1,0|2,0,0]=4 10494 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210320 [0,0,1,0,1,0|2,0,0]=4 10495 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210320 [0,0,1,0,1,0|2,0,0]=4 10496 B15R0.84 CCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210320 [0,0,1,0,1,0|1,0,0]=3 10497 B15R0.84 CCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210320 [0,0,1,0,1,0|2,0,0]=4 10498 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 2230a_100000212291_100000753385 [0,0,1,0,1,0|1,0,0]=3 10499 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 34a_100000212291_100000753385 [0,0,1,0,1,0|1,0,0]=3 10500 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 2230a_100000212291_100000185267 [0,0,1,0,1,0|2,0,0]=4 10501 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011214924 [0,0,1,0,1,0|2,0,0]=4 10502 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 34a_100000212291_100000692301 [0,0,1,0,1,0|2,0,0]=4 10503 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [0,0,1,0,1,0|2,0,0]=4 10504 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 34a_100000210712_100000753385 [0,0,1,0,1,0|1,0,0]=3 10505 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 7a_100000210712_100000753385 [0,0,1,0,1,0|1,0,0]=3 10506 B15R0.84 CCCCCCCCCOCC(=O)N(C)C 34a_100000210712_100000692301 [0,0,1,0,1,0|2,0,0]=4 10507 B15R0.84 CCCCCCCCCOCC(=O)N(C)C 7a_100000210712_100000692301 [0,0,1,0,1,0|2,0,0]=4 10508 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [0,0,1,0,1,0|1,0,0]=3 10509 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [0,0,1,0,1,0|1,0,0]=3 10510 B15R0.84 CCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210670 [0,0,1,0,1,0|1,0,0]=3 10511 B15R0.84 CCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210670 [0,0,1,0,1,0|2,0,0]=4 10512 B15R0.84 CCCCCCCCNCCC(=O)N(C)C 2230a_100000229939_100000737620 [0,0,1,0,1,0|2,0,0]=4 10513 B15R0.84 CCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210759 [0,0,1,0,1,0|2,0,0]=4 10514 B15R0.84 CCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210759 [0,0,1,0,1,0|2,0,0]=4 10515 B15R0.84 CCCCCCCCOCCC(=O)N(C)C 7a_100000210232_100000737620 [0,0,1,0,1,0|2,0,0]=4 10516 B15R0.84 CCCCCCCCSCCC(=O)N(C)C 62a_100000210759_100000737620 [0,0,1,0,1,0|2,0,0]=4 10517 B15R0.84 CCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210317 [0,0,1,0,1,0|2,0,0]=4 10518 B15R0.84 CCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210317 [0,0,1,0,1,0|2,0,0]=4 10519 B15R0.84 CCCCCCCCSCOC(=O)C(C)C 62a_100000210759_100000139345 [0,0,1,0,1,0|2,0,0]=4 10520 B15R0.84 CCCCCCCNCCCC(=O)N(C)C 2230a_100000229938_100000737642 [0,0,1,0,1,0|2,0,0]=4 10521 B15R0.84 CCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210681 [0,0,1,0,1,0|2,0,0]=4 10522 B15R0.84 CCCCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210681 [0,0,1,0,1,0|2,0,0]=4 10523 B15R0.84 CCCCCCCNCCNC(=O)C(C)C 34a_100000752568_100000210614 [0,0,1,0,1,0|2,0,0]=4 10524 B15R0.84 CCCCCCCOCCCC(=O)N(C)C 7a_100000210272_100000737642 [0,0,1,0,1,0|2,0,0]=4 10525 B15R0.84 CCCCCCCSCCCC(=O)N(C)C 62a_100000210614_100000737642 [0,0,1,0,1,0|2,0,0]=4 10526 B15R0.84 CCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210316 [0,0,1,0,1,0|2,0,0]=4 10527 B15R0.84 CCCCCCOCCCCC(=O)N(C)C 34a_100000210259_100000752486 [0,0,1,0,1,0|2,0,0]=4 10528 B15R0.84 CCCCCCOCCCCC(=O)N(C)C 7a_100000210259_100000752486 [0,0,1,0,1,0|2,0,0]=4 10529 B15R0.84 CCCCCCOCCOCC(=O)C(C)C 34a_100000691444_100000753385 [0,0,1,0,1,0|2,0,0]=4 10530 B15R0.84 CCCCCCOCCOCC(=O)C(C)C 7a_100000691444_100000753385 [0,0,1,0,1,0|2,0,0]=4 10531 B15R0.84 CCCCCCSCCCCC(=O)N(C)C 62a_100000210314_100000752486 [0,0,1,0,1,0|2,0,0]=4 10532 B15R0.84 CCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210757 [0,0,1,0,1,0|2,0,0]=4 10533 B15R0.84 CCCCNCCCCOCC(=O)C(C)C 34a_200011216965_100000753385 [0,0,1,0,1,0|2,0,0]=4 10534 B15R0.84 CCCCOCCCCOCC(=O)C(C)C 34a_200000760531_100000753385 [0,0,1,0,1,0|2,0,0]=4 10535 B15R0.84 CCCCOCCCCOCC(=O)C(C)C 7a_200000760531_100000753385 [0,0,1,0,1,0|2,0,0]=4 10536 B15R0.84 CN(C)C(=O)CCCCCCCCCCO 240690a_100102631434_200000016029 [0,0,1,0,1,0|2,0,0]=4 10537 B15R0.84 C[C@@H](O)C(=O)CCCCCCCCCCO 1458a_100000717761_100009813290 [0,0,1,0,1,0|2,0,0]=4 10538 B15R0.84 C[C@H](O)C(=O)CCCCCCCCCCO 1458a_217856618621_100009813290 [0,0,1,0,1,0|2,0,0]=4 10539 B15R0.324 C#CC(C)C(=O)CCCCCCCCCC 1458a_100000210375_200000035995 [0,0,1,0,1,0|0,0,2]=4 10540 B15R0.324 C#CCCCCCCCCC(=O)C(C)CC 1458a_100000029693_100000758301 [0,0,1,0,1,0|0,0,2]=4 10541 B15R0.324 C/C=C(\C)/C(=O)CCCCCCCCCC 1458a_100020587367_100000210319 [0,0,1,0,1,0|0,0,2]=4 10542 B15R0.324 C=CC(C)C(=O)CCCCCCCCCC 1458a_100011216780_100000210319 [0,0,1,0,1,0|0,0,2]=4 10543 B15R0.324 C=CCCCCCCCCC(=O)C(C)CC 1458a_100000211349_100000758301 [0,0,1,0,1,0|0,0,2]=4 10544 B15R0.324 C=CCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100011933949 [0,0,1,0,1,0|0,0,2]=4 10545 B15R0.324 CC#CCCCCCCCC(=O)C(C)CC 1458a_100000066323_100000758301 [0,0,1,0,1,0|0,0,2]=4 10546 B15R0.324 CCC#CCCCCCCC(=O)C(C)CC 1458a_100011192722_200000036426 [0,0,1,0,1,0|0,0,2]=4 10547 B15R0.324 CCC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000742827 [0,0,1,0,1,0|2,0,0]=4 10548 B15R0.324 CCC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000742827 [0,0,1,0,1,0|2,0,0]=4 10549 B15R0.324 CCC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000742827 [0,0,1,0,1,0|2,0,0]=4 10550 B15R0.324 CCC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000742827 [0,0,1,0,1,0|2,0,0]=4 10551 B15R0.324 CCC(=O)C(C)SCCCCCCCCO 62a_100000742827_100000033203 [0,0,1,0,1,0|2,0,0]=4 10552 B15R0.324 CCC(C)C(=O)CCCCCCCCCF 1458a_200009909015_100000758301 [0,0,1,0,1,0|1,0,0]=3 10553 B15R0.324 CCC(C)C(=O)CCCCCCCCCO 1458a_100011192722_100009813782 [0,0,1,0,1,0|1,0,0]=3 10554 B15R0.324 CCC(C)C(=O)NCCCCCCCCO 240690a_102515433106_100011192722 [0,0,1,0,1,0|2,0,0]=4 10555 B15R0.324 CCC(O)C(=O)CCCCCCCCCO 1458a_100011196387_100009813782 [0,0,1,0,1,0|2,0,0]=4 10556 B15R0.324 CCCCCCCCC=CC(=O)C(C)CC 1458a_100015345288_100000758301 [0,0,1,0,1,0|0,0,2]=4 10557 B15R0.324 CCCCCCCCCCC(=O)C(C)C#N 1458a_100000210375_100000703298 [0,0,1,0,1,0|1,0,1]=4 10558 B15R0.324 CCCCCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210319 [0,0,1,0,1,0|1,0,1]=4 10559 B15R0.324 CCCCCCCCCCC(=O)C(C)CC 1458a_100000210375_100000758301 [0,0,1,0,1,0|0,0,0]=2 10560 B15R0.324 CCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210319 [0,0,1,0,1,0|0,0,0]=2 10561 B15R0.324 CCCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210319 [0,0,1,0,1,0|1,0,0]=3 10562 B15R0.324 CCCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210319 [0,0,1,0,1,0|1,0,0]=3 10563 B15R0.324 CCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210319 [0,0,1,0,1,0|1,0,0]=3 10564 B15R0.324 CCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210319 [0,0,1,0,1,0|2,0,0]=4 10565 B15R0.324 CCCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210375 [0,0,1,0,1,0|1,0,0]=3 10566 B15R0.324 CCCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210375 [0,0,1,0,1,0|1,0,0]=3 10567 B15R0.324 CCCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210375 [0,0,1,0,1,0|1,0,0]=3 10568 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 11a_100000207566_100000210414 [0,0,1,0,1,0|1,0,0]=3 10569 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 1626a_100000207566_100000210414 [0,0,1,0,1,0|1,0,0]=3 10570 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 240690a_100000207566_100000210414 [0,0,1,0,1,0|1,0,0]=3 10571 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 527a_100000207566_100000210414 [0,0,1,0,1,0|1,0,0]=3 10572 B15R0.324 CCCCCCCCCCN(C)C(=O)CO 240690a_100000207566_100000210174 [0,0,1,0,1,0|2,0,0]=4 10573 B15R0.324 CCCCCCCCCCN(C)C(=O)CO 527a_100000207566_100000210174 [0,0,1,0,1,0|2,0,0]=4 10574 B15R0.324 CCCCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000207566 [0,0,1,0,1,0|2,0,0]=4 10575 B15R0.324 CCCCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000207566 [0,0,1,0,1,0|2,0,0]=4 10576 B15R0.324 CCCCCCCCCCN(C)C(C)CC 2230a_100000207566_100000758301 [0,0,1,0,1,0|2,0,0]=4 10577 B15R0.324 CCCCCCCCCCN(C)C(C)CC 2230a_100000741768_100000210320 [0,0,1,0,1,0|2,0,0]=4 10578 B15R0.324 CCCCCCCCCCN(C)C(C)CC 269982a_100000207566_100000758301 [0,0,1,0,1,0|2,0,0]=4 10579 B15R0.324 CCCCCCCCCCN(C)C(C)CC 269982a_100000741768_100000210320 [0,0,1,0,1,0|2,0,0]=4 10580 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 11a_100000212291_100011192722 [0,0,1,0,1,0|1,0,0]=3 10581 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 1626a_100000212291_100011192722 [0,0,1,0,1,0|1,0,0]=3 10582 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 240690a_100000212291_100011192722 [0,0,1,0,1,0|1,0,0]=3 10583 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 527a_100000212291_100011192722 [0,0,1,0,1,0|1,0,0]=3 10584 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 11a_100000212291_100000743197 [0,0,1,0,1,0|2,0,0]=4 10585 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 1626a_100000212291_100000743197 [0,0,1,0,1,0|2,0,0]=4 10586 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 240690a_100000212291_100000743197 [0,0,1,0,1,0|2,0,0]=4 10587 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 527a_100000212291_100000743197 [0,0,1,0,1,0|2,0,0]=4 10588 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 11a_100000212291_100000149566 [0,0,1,0,1,0|2,0,0]=4 10589 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 1626a_100000212291_100000149566 [0,0,1,0,1,0|2,0,0]=4 10590 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 240690a_100000212291_100000149566 [0,0,1,0,1,0|2,0,0]=4 10591 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 527a_100000212291_100000149566 [0,0,1,0,1,0|2,0,0]=4 10592 B15R0.324 CCCCCCCCCNC(=O)C(O)CC 240690a_100000212291_100011196387 [0,0,1,0,1,0|2,0,0]=4 10593 B15R0.324 CCCCCCCCCNC(=O)N(C)CC 2708a_100000212291_100000225621 [0,0,1,0,1,0|2,0,0]=4 10594 B15R0.324 CCCCCCCCCNC(=O)N(C)CC 273464a_100000212291_100000225621 [0,0,1,0,1,0|2,0,0]=4 10595 B15R0.324 CCCCCCCCCNC(C)C(=O)CC 2230a_100000212291_100000742827 [0,0,1,0,1,0|1,0,0]=3 10596 B15R0.324 CCCCCCCCCNC(C)C(=O)NC 2230a_100000212291_100000731044 [0,0,1,0,1,0|2,0,0]=4 10597 B15R0.324 CCCCCCCCCNC(C)C(=O)NC 34a_100000212291_100000731044 [0,0,1,0,1,0|2,0,0]=4 10598 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 2230a_100000212291_100000211248 [0,0,1,0,1,0|2,0,0]=4 10599 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 34a_100000212291_100000211248 [0,0,1,0,1,0|2,0,0]=4 10600 B15R0.324 CCCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011214924 [0,0,1,0,1,0|2,0,0]=4 10601 B15R0.324 CCCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100011214924 [0,0,1,0,1,0|2,0,0]=4 10602 B15R0.324 CCCCCCCCCOC(C)C(=O)CC 7a_100000210712_100000742827 [0,0,1,0,1,0|1,0,0]=3 10603 B15R0.324 CCCCCCCCCOC(C)C(=O)NC 34a_100000210712_100000731044 [0,0,1,0,1,0|2,0,0]=4 10604 B15R0.324 CCCCCCCCCOC(C)C(=O)NC 7a_100000210712_100000209862 [0,0,1,0,1,0|2,0,0]=4 10605 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100000210712_100000211248 [0,0,1,0,1,0|2,0,0]=4 10606 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100011214924 [0,0,1,0,1,0|2,0,0]=4 10607 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 7a_100000210712_100000211248 [0,0,1,0,1,0|2,0,0]=4 10608 B15R0.324 CCCCCCCCCSC(C)C(=O)CC 62a_100000742827_100000210670 [0,0,1,0,1,0|1,0,0]=3 10609 B15R0.324 CCCCCCCCCSC(C)C(=O)NC 62a_100000209862_100000210670 [0,0,1,0,1,0|2,0,0]=4 10610 B15R0.324 CCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210670 [0,0,1,0,1,0|2,0,0]=4 10611 B15R0.324 CCCCCCCCNCC(=O)N(C)CC 2230a_100000229939_100000738999 [0,0,1,0,1,0|2,0,0]=4 10612 B15R0.324 CCCCCCCCNCC(=O)N(C)CC 34a_100000229939_100000738999 [0,0,1,0,1,0|2,0,0]=4 10613 B15R0.324 CCCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210759 [0,0,1,0,1,0|2,0,0]=4 10614 B15R0.324 CCCCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210759 [0,0,1,0,1,0|2,0,0]=4 10615 B15R0.324 CCCCCCCCNCC(C)C(=O)OC 34a_100000229939_100000698445 [0,0,1,0,1,0|2,0,0]=4 10616 B15R0.324 CCCCCCCCOCC(=O)C(C)CC 1458a_100000759886_100000758301 [0,0,1,0,1,0|1,0,0]=3 10617 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 11a_100000225621_100000759886 [0,0,1,0,1,0|2,0,0]=4 10618 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 1626a_100000225621_100000759886 [0,0,1,0,1,0|2,0,0]=4 10619 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 240690a_100000225621_100000759886 [0,0,1,0,1,0|2,0,0]=4 10620 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 34a_100000210232_100000738999 [0,0,1,0,1,0|2,0,0]=4 10621 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 527a_100000225621_100000759886 [0,0,1,0,1,0|2,0,0]=4 10622 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 7a_100000210232_100000738999 [0,0,1,0,1,0|2,0,0]=4 10623 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000210232_100000698445 [0,0,1,0,1,0|2,0,0]=4 10624 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210759 [0,0,1,0,1,0|2,0,0]=4 10625 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210759 [0,0,1,0,1,0|2,0,0]=4 10626 B15R0.324 CCCCCCCCSCC(=O)N(C)CC 62a_100000210759_100000738999 [0,0,1,0,1,0|2,0,0]=4 10627 B15R0.324 CCCCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210317 [0,0,1,0,1,0|2,0,0]=4 10628 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000210759_100000698445 [0,0,1,0,1,0|2,0,0]=4 10629 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210317 [0,0,1,0,1,0|2,0,0]=4 10630 B15R0.324 CCCCCCCNCCC(C)C(=O)OC 2230a_100000229938_100000034942 [0,0,1,0,1,0|2,0,0]=4 10631 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 34a_100000210272_100000034942 [0,0,1,0,1,0|2,0,0]=4 10632 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 7a_100000210272_100000034942 [0,0,1,0,1,0|2,0,0]=4 10633 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210316 [0,0,1,0,1,0|2,0,0]=4 10634 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000210614_100000034942 [0,0,1,0,1,0|2,0,0]=4 10635 B15R0.324 CCCCCCOCCOC(C)C(=O)CC 7a_100000691444_100000742827 [0,0,1,0,1,0|2,0,0]=4 10636 B15R0.324 CCCCOCCCCOC(C)C(=O)CC 7a_200000760531_100000742827 [0,0,1,0,1,0|2,0,0]=4 10637 B15R0.324 CCN(C)C(=O)CCCCCCCCCF 11a_100000225621_200009909015 [0,0,1,0,1,0|2,0,0]=4 10638 B15R0.324 CCN(C)C(=O)CCCCCCCCCF 240690a_100000225621_200009909015 [0,0,1,0,1,0|2,0,0]=4 10639 B15R0.324 CCN(C)C(=O)CCCCCCCCCF 527a_100000225621_200009909015 [0,0,1,0,1,0|2,0,0]=4 10640 B15R0.324 CCN(C)C(=O)CCCCCCCCCO 240690a_100000225621_100000032657 [0,0,1,0,1,0|2,0,0]=4 10641 B15R0.324 COC(C)C(=O)CCCCCCCCCO 1458a_100000743197_100009813782 [0,0,1,0,1,0|2,0,0]=4 10642 B15R0.324 CSC(C)C(=O)CCCCCCCCCO 1458a_100000149566_100009813782 [0,0,1,0,1,0|2,0,0]=4 10643 B15R0.2406 C#CCCCCCCC(=O)C(C)CCCC 1458a_100000034748_200011215066 [0,0,1,0,1,0|0,0,2]=4 10644 B15R0.2406 C#CCCCCCCC(=O)C(C)CCCC 1458a_100000725509_100012276617 [0,0,1,0,1,0|0,0,2]=4 10645 B15R0.2406 C=CCCCCCCC(=O)C(C)CCCC 1458a_100000725509_100011215473 [0,0,1,0,1,0|0,0,2]=4 10646 B15R0.2406 C=CCCCCCCC(=O)C(C)CCCC 1458a_100011809334_200011215066 [0,0,1,0,1,0|0,0,2]=4 10647 B15R0.2406 CCC/C=C(\C)/C(=O)CCCCCCCC 1458a_200020648666_100000210759 [0,0,1,0,1,0|0,0,2]=4 10648 B15R0.2406 CCCCC(C)C(=O)CCCCCCC#N 1458a_100000725509_100009813337 [0,0,1,0,1,0|1,0,1]=4 10649 B15R0.2406 CCCCC(C)C(=O)CCCCCCCO 1458a_100000725509_100000760002 [0,0,1,0,1,0|1,0,0]=3 10650 B15R0.2406 CCCCC(C)C(=O)CCCCCCCO 1458a_100011219782_200011215066 [0,0,1,0,1,0|1,0,0]=3 10651 B15R0.2406 CCCCC(C)C(=O)CCCCCCOC 1458a_100000725509_100011998445 [0,0,1,0,1,0|1,0,0]=3 10652 B15R0.2406 CCCCC(C)C(=O)CCCOCCOC 1458a_100000725509_100011216529 [0,0,1,0,1,0|2,0,0]=4 10653 B15R0.2406 CCCCC(C)C(=O)CCOCCOCC 1458a_100000725509_100011211534 [0,0,1,0,1,0|2,0,0]=4 10654 B15R0.2406 CCCCC(C)C(=O)NCCCCCCO 240690a_100000686447_100000725509 [0,0,1,0,1,0|2,0,0]=4 10655 B15R0.2406 CCCCC(C)C(=O)NCCCCCCO 527a_100000686447_100000725509 [0,0,1,0,1,0|2,0,0]=4 10656 B15R0.2406 CCCCC(C)C(=O)NCCCCCOC 11a_100000747528_100000725509 [0,0,1,0,1,0|2,0,0]=4 10657 B15R0.2406 CCCCC(C)C(=O)NCCCCCOC 1626a_100000747528_100000725509 [0,0,1,0,1,0|2,0,0]=4 10658 B15R0.2406 CCCCC(C)C(=O)NCCCCCOC 240690a_100000747528_100000725509 [0,0,1,0,1,0|2,0,0]=4 10659 B15R0.2406 CCCCC(C)C(=O)NCCCCCOC 527a_100000747528_100000725509 [0,0,1,0,1,0|2,0,0]=4 10660 B15R0.2406 CCCCC(C)C(=O)NCCCOCCC 1626a_100011217757_100000725509 [0,0,1,0,1,0|2,0,0]=4 10661 B15R0.2406 CCCCC(C)C(=O)NCCCOCCC 240690a_100011217757_100000725509 [0,0,1,0,1,0|2,0,0]=4 10662 B15R0.2406 CCCCC(C)C(=O)NCCCOCCC 527a_100011217757_100000725509 [0,0,1,0,1,0|2,0,0]=4 10663 B15R0.2406 CCCCC(O)C(=O)CCCCCCCO 1458a_100000720857_100000760002 [0,0,1,0,1,0|2,0,0]=4 10664 B15R0.2406 CCCCC(O)C(=O)CCCCCCOC 1458a_100000720857_100011998445 [0,0,1,0,1,0|2,0,0]=4 10665 B15R0.2406 CCCCC/C=C/CC(=O)C(C)CCCC 1458a_100020675968_200011215066 [0,0,1,0,1,0|0,0,2]=4 10666 B15R0.2406 CCCCCC#CCC(=O)C(C)CCCC 1458a_100000725509_100009816472 [0,0,1,0,1,0|0,0,2]=4 10667 B15R0.2406 CCCCCCC=CC(=O)C(C)CCCC 1458a_200015324643_200011215066 [0,0,1,0,1,0|0,0,2]=4 10668 B15R0.2406 CCCCCCCCC(=O)C(C)CCCC 1458a_100000210188_200011215066 [0,0,1,0,1,0|0,0,0]=2 10669 B15R0.2406 CCCCCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210759 [0,0,1,0,1,0|0,0,0]=2 10670 B15R0.2406 CCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210759 [0,0,1,0,1,0|1,0,0]=3 10671 B15R0.2406 CCCCCCCCC(=O)C(O)CCSC 1458a_100000685904_100000210759 [0,0,1,0,1,0|2,0,0]=4 10672 B15R0.2406 CCCCCCCCC(=O)N(C)CCCC 11a_100000207549_100000210188 [0,0,1,0,1,0|1,0,0]=3 10673 B15R0.2406 CCCCCCCCC(=O)N(C)CCCC 1626a_100000207549_100000210188 [0,0,1,0,1,0|1,0,0]=3 10674 B15R0.2406 CCCCCCCCC(=O)N(C)CCCC 240690a_100000207549_100000210188 [0,0,1,0,1,0|1,0,0]=3 10675 B15R0.2406 CCCCCCCCC(=O)N(C)CCCC 527a_100000207549_100000210188 [0,0,1,0,1,0|1,0,0]=3 10676 B15R0.2406 CCCCCCCCC(=O)N(C)CCCO 240690a_100000213112_100000210188 [0,0,1,0,1,0|2,0,0]=4 10677 B15R0.2406 CCCCCCCCC(=O)N(C)CCCO 527a_100000213112_100000210188 [0,0,1,0,1,0|2,0,0]=4 10678 B15R0.2406 CCCCCCCCC(=O)N(C)CCOC 11a_100000743101_100000210188 [0,0,1,0,1,0|2,0,0]=4 10679 B15R0.2406 CCCCCCCCC(=O)N(C)CCOC 1626a_100000743101_100000210188 [0,0,1,0,1,0|2,0,0]=4 10680 B15R0.2406 CCCCCCCCC(=O)N(C)CCOC 240690a_100000743101_100000210188 [0,0,1,0,1,0|2,0,0]=4 10681 B15R0.2406 CCCCCCCCC(=O)N(C)CCOC 527a_100000743101_100000210188 [0,0,1,0,1,0|2,0,0]=4 10682 B15R0.2406 CCCCCCCCC(=O)N(C)CCSC 11a_100000686725_100000210188 [0,0,1,0,1,0|2,0,0]=4 10683 B15R0.2406 CCCCCCCCC(=O)N(C)CCSC 1626a_100000686725_100000210188 [0,0,1,0,1,0|2,0,0]=4 10684 B15R0.2406 CCCCCCCCC(=O)N(C)CCSC 240690a_100000686725_100000210188 [0,0,1,0,1,0|2,0,0]=4 10685 B15R0.2406 CCCCCCCCC(=O)N(C)CCSC 527a_100000686725_100000210188 [0,0,1,0,1,0|2,0,0]=4 10686 B15R0.2406 CCCCCCCCC(C)N(C)CCCC 270004a_100000207549_100011216694 [0,0,1,0,1,0|2,0,0]=4 10687 B15R0.2406 CCCCCCCCC(O)C(=O)CCCC 1458a_200011995895_100000210211 [0,0,1,0,1,0|1,0,0]=3 10688 B15R0.2406 CCCCCCCCC(O)C(=O)CCCF 1458a_200011995895_100011934791 [0,0,1,0,1,0|2,0,0]=4 10689 B15R0.2406 CCCCCCCCC(O)C(=O)CCCO 1458a_200011995895_100011215043 [0,0,1,0,1,0|2,0,0]=4 10690 B15R0.2406 CCCCCCCCC(O)C(=O)CCOC 1458a_200011995895_100000233755 [0,0,1,0,1,0|2,0,0]=4 10691 B15R0.2406 CCCCCCCCC(O)C(=O)CCSC 1458a_200011995895_100000751147 [0,0,1,0,1,0|2,0,0]=4 10692 B15R0.2406 CCCCCCCCC(O)C(=O)NCCC 240690a_100020643023_200011995895 [0,0,1,0,1,0|2,0,0]=4 10693 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 11a_100000207567_100000210183 [0,0,1,0,1,0|1,0,0]=3 10694 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 1626a_100000207567_100000210183 [0,0,1,0,1,0|1,0,0]=3 10695 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 240690a_100000207567_100000210183 [0,0,1,0,1,0|1,0,0]=3 10696 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 527a_100000207567_100000210183 [0,0,1,0,1,0|1,0,0]=3 10697 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 11a_100000207567_100000749529 [0,0,1,0,1,0|2,0,0]=4 10698 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 1626a_100000207567_100000749529 [0,0,1,0,1,0|2,0,0]=4 10699 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 240690a_100000207567_100000749529 [0,0,1,0,1,0|2,0,0]=4 10700 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 527a_100000207567_100000749529 [0,0,1,0,1,0|2,0,0]=4 10701 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 11a_100000207567_100000174002 [0,0,1,0,1,0|2,0,0]=4 10702 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 1626a_100000207567_100000174002 [0,0,1,0,1,0|2,0,0]=4 10703 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 240690a_100000207567_100000174002 [0,0,1,0,1,0|2,0,0]=4 10704 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 527a_100000207567_100000174002 [0,0,1,0,1,0|2,0,0]=4 10705 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 11a_100000207567_100000211967 [0,0,1,0,1,0|2,0,0]=4 10706 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 1626a_100000207567_100000211967 [0,0,1,0,1,0|2,0,0]=4 10707 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 240690a_100000207567_100000211967 [0,0,1,0,1,0|2,0,0]=4 10708 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 527a_100000207567_100000211967 [0,0,1,0,1,0|2,0,0]=4 10709 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 11a_100000207567_100000230394 [0,0,1,0,1,0|2,0,0]=4 10710 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 1626a_100000207567_100000230394 [0,0,1,0,1,0|2,0,0]=4 10711 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 240690a_100000207567_100000230394 [0,0,1,0,1,0|2,0,0]=4 10712 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 527a_100000207567_100000230394 [0,0,1,0,1,0|2,0,0]=4 10713 B15R0.2406 CCCCCCCCN(C)C(=O)NCCC 2708a_100020643023_100000207567 [0,0,1,0,1,0|2,0,0]=4 10714 B15R0.2406 CCCCCCCCN(C)C(=O)NCCC 273464a_100020643023_100000207567 [0,0,1,0,1,0|2,0,0]=4 10715 B15R0.2406 CCCCCCCCN(C)C(C)CCCC 2230a_100000207567_200011215066 [0,0,1,0,1,0|2,0,0]=4 10716 B15R0.2406 CCCCCCCCN(C)C(C)CCCC 269982a_100000207567_200011215066 [0,0,1,0,1,0|2,0,0]=4 10717 B15R0.2406 CCCCCCCCN(C)C(C)CCCC 270004a_100000207567_100000210087 [0,0,1,0,1,0|2,0,0]=4 10718 B15R0.2406 CCCCCCCNC(=O)C(C)CCCC 11a_100000229938_100000725509 [0,0,1,0,1,0|1,0,0]=3 10719 B15R0.2406 CCCCCCCNC(=O)C(C)CCCC 1626a_100000229938_100000725509 [0,0,1,0,1,0|1,0,0]=3 10720 B15R0.2406 CCCCCCCNC(=O)C(C)CCCC 240690a_100000229938_100000725509 [0,0,1,0,1,0|1,0,0]=3 10721 B15R0.2406 CCCCCCCNC(=O)C(C)CCCC 527a_100000229938_100000725509 [0,0,1,0,1,0|1,0,0]=3 10722 B15R0.2406 CCCCCCCNC(=O)C(O)CCCC 240690a_100000229938_100000720857 [0,0,1,0,1,0|2,0,0]=4 10723 B15R0.2406 CCCCCCCNC(=O)C(O)CCCC 527a_100000229938_100000720857 [0,0,1,0,1,0|2,0,0]=4 10724 B15R0.2406 CCCCCCCNC(=O)N(C)CCCC 2708a_100000229938_100000207549 [0,0,1,0,1,0|2,0,0]=4 10725 B15R0.2406 CCCCCCCNC(=O)N(C)CCCC 273464a_100000229938_100000207549 [0,0,1,0,1,0|2,0,0]=4 10726 B15R0.2406 CCCCCCCNC(C)C(=O)NCCC 2230a_100000229938_100000230305 [0,0,1,0,1,0|2,0,0]=4 10727 B15R0.2406 CCCCCCCNC(C)C(=O)NCCC 2230a_100025744714_100000210681 [0,0,1,0,1,0|2,0,0]=4 10728 B15R0.2406 CCCCCCCNC(C)C(=O)NCCC 34a_100025744714_100000210614 [0,0,1,0,1,0|2,0,0]=4 10729 B15R0.2406 CCCCCCCNC(C)C(=O)OCCC 2230a_100000229938_100000760410 [0,0,1,0,1,0|2,0,0]=4 10730 B15R0.2406 CCCCCCCOC(C)C(=O)NCCC 34a_100000210272_100000230305 [0,0,1,0,1,0|2,0,0]=4 10731 B15R0.2406 CCCCCCCOC(C)C(=O)NCCC 7a_100000210272_100000230305 [0,0,1,0,1,0|2,0,0]=4 10732 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 34a_100000037348_100000210614 [0,0,1,0,1,0|2,0,0]=4 10733 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 34a_100000210272_100000760410 [0,0,1,0,1,0|2,0,0]=4 10734 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 7a_100000037348_100000210614 [0,0,1,0,1,0|2,0,0]=4 10735 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 7a_100000210272_100000760410 [0,0,1,0,1,0|2,0,0]=4 10736 B15R0.2406 CCCCCCCSC(C)C(=O)NCCC 62a_100000210614_100000230305 [0,0,1,0,1,0|2,0,0]=4 10737 B15R0.2406 CCCCCCCSC(C)C(=O)NCCC 62a_100000230305_100000210316 [0,0,1,0,1,0|2,0,0]=4 10738 B15R0.2406 CCCCCCCSC(C)C(=O)OCCC 62a_100000210614_100000760410 [0,0,1,0,1,0|2,0,0]=4 10739 B15R0.2406 CCCCCCCSC(C)C(=O)OCCC 62a_100000760410_100000210316 [0,0,1,0,1,0|2,0,0]=4 10740 B15R0.2406 CCCCCCNCC(=O)N(C)CCCC 2230a_100000210581_100000230175 [0,0,1,0,1,0|2,0,0]=4 10741 B15R0.2406 CCCCCCOCC(=O)N(C)CCCC 34a_100000210259_100000230175 [0,0,1,0,1,0|2,0,0]=4 10742 B15R0.2406 CCCCCCOCC(=O)N(C)CCCC 7a_100000210259_100000230175 [0,0,1,0,1,0|2,0,0]=4 10743 B15R0.2406 CCCCCCSCC(=O)N(C)CCCC 62a_100000210314_100000230175 [0,0,1,0,1,0|2,0,0]=4 10744 B15R0.2406 CCCCCCSCC(=O)N(C)CCCC 62a_100000230175_100000210757 [0,0,1,0,1,0|2,0,0]=4 10745 B15R0.2406 CCCCN(C)C(=O)CCCCCCCO 240690a_100000207549_100011219782 [0,0,1,0,1,0|2,0,0]=4 10746 B15R0.2406 CCCCSCCNC(=O)C(C)CCCC 11a_100025743550_100000725509 [0,0,1,0,1,0|2,0,0]=4 10747 B15R0.2406 CCCCSCCNC(=O)C(C)CCCC 1626a_100025743550_100000725509 [0,0,1,0,1,0|2,0,0]=4 10748 B15R0.2406 CCCCSCCNC(=O)C(C)CCCC 240690a_100025743550_100000725509 [0,0,1,0,1,0|2,0,0]=4 10749 B15R0.2406 CCCCSCCNC(=O)C(C)CCCC 527a_100025743550_100000725509 [0,0,1,0,1,0|2,0,0]=4 10750 B15R0.1556 C#CCCCC(=O)C(C)CCCCCCC 1458a_100000690238_200011218727 [0,0,1,0,1,0|0,0,2]=4 10751 B15R0.1556 C#CCCCCCC(=O)C(C)CCCCC 1458a_100000694772_200011218191 [0,0,1,0,1,0|0,0,2]=4 10752 B15R0.1556 C#CCCCCCC(=O)C(C)CCCCC 1458a_100011215998_100012094781 [0,0,1,0,1,0|0,0,2]=4 10753 B15R0.1556 C=CCCCC(=O)C(C)CCCCCCC 1458a_100000766728_200011218727 [0,0,1,0,1,0|0,0,2]=4 10754 B15R0.1556 C=CCCCCCC(=O)C(C)CCCCC 1458a_100011215998_100000700193 [0,0,1,0,1,0|0,0,2]=4 10755 B15R0.1556 C=CCCCCCC(=O)C(C)CCCCC 1458a_100011934241_200011218191 [0,0,1,0,1,0|0,0,2]=4 10756 B15R0.1556 CC/C=C/CC(=O)C(C)CCCCCCC 1458a_100016274230_200011218727 [0,0,1,0,1,0|0,0,2]=4 10757 B15R0.1556 CCCC#CC(=O)C(C)CCCCCCC 1458a_200011218047_200011218727 [0,0,1,0,1,0|0,0,2]=4 10758 B15R0.1556 CCCC/C=C/CC(=O)C(C)CCCCC 1458a_200016282684_200011218191 [0,0,1,0,1,0|0,0,2]=4 10759 B15R0.1556 CCCC=CC(=O)C(C)CCCCCCC 1458a_100000212230_200011218727 [0,0,1,0,1,0|0,0,2]=4 10760 B15R0.1556 CCCCCC#CC(=O)C(C)CCCCC 1458a_100011215388_200011218191 [0,0,1,0,1,0|0,0,2]=4 10761 B15R0.1556 CCCCCC(C)C(=O)CCCCCC#N 1458a_100011215998_100009813376 [0,0,1,0,1,0|1,0,1]=4 10762 B15R0.1556 CCCCCC(C)C(=O)CCCCCCF 1458a_100011215998_100015922095 [0,0,1,0,1,0|1,0,0]=3 10763 B15R0.1556 CCCCCC(C)C(=O)CCCCCCO 1458a_100011215998_100000766143 [0,0,1,0,1,0|1,0,0]=3 10764 B15R0.1556 CCCCCC(C)C(=O)CCCCCCO 1458a_100011996774_200011218191 [0,0,1,0,1,0|1,0,0]=3 10765 B15R0.1556 CCCCCC(C)C(=O)CCCCCOC 1458a_100011935119_200011218191 [0,0,1,0,1,0|1,0,0]=3 10766 B15R0.1556 CCCCCC(C)C(=O)CCOCCCC 1458a_100011215998_100000743108 [0,0,1,0,1,0|1,0,0]=3 10767 B15R0.1556 CCCCCC(C)C(=O)CCOCCOC 1458a_100000745395_200011218191 [0,0,1,0,1,0|2,0,0]=4 10768 B15R0.1556 CCCCCC(C)C(=O)CCOCCOC 1458a_100011215998_100000695917 [0,0,1,0,1,0|2,0,0]=4 10769 B15R0.1556 CCCCCC(C)C(=O)NCCCCCO 240690a_100000762737_100011215998 [0,0,1,0,1,0|2,0,0]=4 10770 B15R0.1556 CCCCCC(C)C(=O)NCCCOCC 11a_100000210961_100011215998 [0,0,1,0,1,0|2,0,0]=4 10771 B15R0.1556 CCCCCC(C)C(=O)NCCCOCC 1626a_100000210961_100011215998 [0,0,1,0,1,0|2,0,0]=4 10772 B15R0.1556 CCCCCC(C)C(=O)NCCCOCC 240690a_100000210961_100011215998 [0,0,1,0,1,0|2,0,0]=4 10773 B15R0.1556 CCCCCC(C)C(=O)NCCCOCC 527a_100000210961_100011215998 [0,0,1,0,1,0|2,0,0]=4 10774 B15R0.1556 CCCCCC(C)C(=O)NCCOCCC 1626a_100161115042_100011215998 [0,0,1,0,1,0|2,0,0]=4 10775 B15R0.1556 CCCCCC(C)C(=O)NCCOCCC 240690a_100161115042_100011215998 [0,0,1,0,1,0|2,0,0]=4 10776 B15R0.1556 CCCCCC(C)C(=O)NCCOCCC 527a_100161115042_100011215998 [0,0,1,0,1,0|2,0,0]=4 10777 B15R0.1556 CCCCCC(C)C(=O)NCCSCCC 11a_100020603323_100011215998 [0,0,1,0,1,0|2,0,0]=4 10778 B15R0.1556 CCCCCC(C)C(=O)NCCSCCC 240690a_100020603323_100011215998 [0,0,1,0,1,0|2,0,0]=4 10779 B15R0.1556 CCCCCC(C)C(=O)NCCSCCC 527a_100020603323_100011215998 [0,0,1,0,1,0|2,0,0]=4 10780 B15R0.1556 CCCCCC=CC(=O)C(C)CCCCC 1458a_100016263427_200011218191 [0,0,1,0,1,0|0,0,2]=4 10781 B15R0.1556 CCCCCCCC(=O)C(C)CCCCC 1458a_100000211969_200011218191 [0,0,1,0,1,0|0,0,0]=2 10782 B15R0.1556 CCCCCCCC(=O)C(C)CCCCC 1458a_100011215998_100000210614 [0,0,1,0,1,0|0,0,0]=2 10783 B15R0.1556 CCCCCCCC(=O)C(C)SCCCC 1458a_100000191163_100000210614 [0,0,1,0,1,0|1,0,0]=3 10784 B15R0.1556 CCCCCCCC(=O)N(C)CCCCC 11a_100000223495_100000211969 [0,0,1,0,1,0|1,0,0]=3 10785 B15R0.1556 CCCCCCCC(=O)N(C)CCCCC 1626a_100000223495_100000211969 [0,0,1,0,1,0|1,0,0]=3 10786 B15R0.1556 CCCCCCCC(=O)N(C)CCCCC 240690a_100000223495_100000211969 [0,0,1,0,1,0|1,0,0]=3 10787 B15R0.1556 CCCCCCCC(=O)N(C)CCCCC 527a_100000223495_100000211969 [0,0,1,0,1,0|1,0,0]=3 10788 B15R0.1556 CCCCCCCC(=O)N(C)CCCCO 240690a_100000717598_100000211969 [0,0,1,0,1,0|2,0,0]=4 10789 B15R0.1556 CCCCCCCC(=O)N(C)CCCOC 11a_100000224831_100000211969 [0,0,1,0,1,0|2,0,0]=4 10790 B15R0.1556 CCCCCCCC(=O)N(C)CCCOC 1626a_100000224831_100000211969 [0,0,1,0,1,0|2,0,0]=4 10791 B15R0.1556 CCCCCCCC(=O)N(C)CCCOC 240690a_100000224831_100000211969 [0,0,1,0,1,0|2,0,0]=4 10792 B15R0.1556 CCCCCCCC(=O)N(C)CCCOC 527a_100000224831_100000211969 [0,0,1,0,1,0|2,0,0]=4 10793 B15R0.1556 CCCCCCCC(C)C(=O)CCCC#N 1458a_100000075515_200011218727 [0,0,1,0,1,0|1,0,1]=4 10794 B15R0.1556 CCCCCCCC(C)C(=O)CCCCC 1458a_100000212188_200011218727 [0,0,1,0,1,0|0,0,0]=2 10795 B15R0.1556 CCCCCCCC(C)C(=O)CCCCO 1458a_100000695505_200011218727 [0,0,1,0,1,0|1,0,0]=3 10796 B15R0.1556 CCCCCCCC(C)C(=O)CCCOC 1458a_100000741012_200011218727 [0,0,1,0,1,0|1,0,0]=3 10797 B15R0.1556 CCCCCCCC(C)C(=O)CCCSC 1458a_100000173376_200011218727 [0,0,1,0,1,0|1,0,0]=3 10798 B15R0.1556 CCCCCCCC(C)C(=O)CCOCC 1458a_100000749530_200011218727 [0,0,1,0,1,0|1,0,0]=3 10799 B15R0.1556 CCCCCCCC(C)C(=O)CCSCC 1458a_100000230768_200011218727 [0,0,1,0,1,0|1,0,0]=3 10800 B15R0.1556 CCCCCCCC(C)C(=O)COCCC 1458a_100000745993_200011218727 [0,0,1,0,1,0|1,0,0]=3 10801 B15R0.1556 CCCCCCCC(C)C(=O)COCCO 1458a_100000708028_200011218727 [0,0,1,0,1,0|2,0,0]=4 10802 B15R0.1556 CCCCCCCC(C)C(=O)CSCCC 1458a_100000217233_200011218727 [0,0,1,0,1,0|1,0,0]=3 10803 B15R0.1556 CCCCCCCC(C)N(C)CCCCC 2230a_100000223495_200011218727 [0,0,1,0,1,0|2,0,0]=4 10804 B15R0.1556 CCCCCCCC(C)N(C)CCCCC 269982a_100000223495_200011218727 [0,0,1,0,1,0|2,0,0]=4 10805 B15R0.1556 CCCCCCCC(C)N(C)CCCCC 270004a_100000223495_100000210596 [0,0,1,0,1,0|2,0,0]=4 10806 B15R0.1556 CCCCCCCN(C)C(=O)CCCCC 11a_100000228206_100000212188 [0,0,1,0,1,0|1,0,0]=3 10807 B15R0.1556 CCCCCCCN(C)C(=O)CCCCC 1626a_100000228206_100000212188 [0,0,1,0,1,0|1,0,0]=3 10808 B15R0.1556 CCCCCCCN(C)C(=O)CCCCC 240690a_100000228206_100000212188 [0,0,1,0,1,0|1,0,0]=3 10809 B15R0.1556 CCCCCCCN(C)C(=O)CCCCC 527a_100000228206_100000212188 [0,0,1,0,1,0|1,0,0]=3 10810 B15R0.1556 CCCCCCCN(C)C(=O)CCCCO 1626a_100000228206_100000695505 [0,0,1,0,1,0|2,0,0]=4 10811 B15R0.1556 CCCCCCCN(C)C(=O)CCCOC 11a_100000228206_100000741012 [0,0,1,0,1,0|2,0,0]=4 10812 B15R0.1556 CCCCCCCN(C)C(=O)CCCOC 1626a_100000228206_100000741012 [0,0,1,0,1,0|2,0,0]=4 10813 B15R0.1556 CCCCCCCN(C)C(=O)CCCOC 240690a_100000228206_100000741012 [0,0,1,0,1,0|2,0,0]=4 10814 B15R0.1556 CCCCCCCN(C)C(=O)CCCOC 527a_100000228206_100000741012 [0,0,1,0,1,0|2,0,0]=4 10815 B15R0.1556 CCCCCCCN(C)C(=O)CCCSC 11a_100000228206_100000173376 [0,0,1,0,1,0|2,0,0]=4 10816 B15R0.1556 CCCCCCCN(C)C(=O)CCCSC 1626a_100000228206_100000173376 [0,0,1,0,1,0|2,0,0]=4 10817 B15R0.1556 CCCCCCCN(C)C(=O)CCCSC 240690a_100000228206_100000173376 [0,0,1,0,1,0|2,0,0]=4 10818 B15R0.1556 CCCCCCCN(C)C(=O)CCCSC 527a_100000228206_100000173376 [0,0,1,0,1,0|2,0,0]=4 10819 B15R0.1556 CCCCCCCN(C)C(=O)CCOCC 11a_100000228206_100000749530 [0,0,1,0,1,0|2,0,0]=4 10820 B15R0.1556 CCCCCCCN(C)C(=O)CCOCC 1626a_100000228206_100000749530 [0,0,1,0,1,0|2,0,0]=4 10821 B15R0.1556 CCCCCCCN(C)C(=O)CCOCC 240690a_100000228206_100000749530 [0,0,1,0,1,0|2,0,0]=4 10822 B15R0.1556 CCCCCCCN(C)C(=O)CCOCC 527a_100000228206_100000749530 [0,0,1,0,1,0|2,0,0]=4 10823 B15R0.1556 CCCCCCCN(C)C(=O)CCSCC 11a_100000228206_100000230768 [0,0,1,0,1,0|2,0,0]=4 10824 B15R0.1556 CCCCCCCN(C)C(=O)CCSCC 1626a_100000228206_100000230768 [0,0,1,0,1,0|2,0,0]=4 10825 B15R0.1556 CCCCCCCN(C)C(=O)CCSCC 240690a_100000228206_100000230768 [0,0,1,0,1,0|2,0,0]=4 10826 B15R0.1556 CCCCCCCN(C)C(=O)CCSCC 527a_100000228206_100000230768 [0,0,1,0,1,0|2,0,0]=4 10827 B15R0.1556 CCCCCCCN(C)C(=O)COCCC 11a_100000228206_100000745993 [0,0,1,0,1,0|2,0,0]=4 10828 B15R0.1556 CCCCCCCN(C)C(=O)COCCC 1626a_100000228206_100000745993 [0,0,1,0,1,0|2,0,0]=4 10829 B15R0.1556 CCCCCCCN(C)C(=O)COCCC 240690a_100000228206_100000745993 [0,0,1,0,1,0|2,0,0]=4 10830 B15R0.1556 CCCCCCCN(C)C(=O)COCCC 527a_100000228206_100000745993 [0,0,1,0,1,0|2,0,0]=4 10831 B15R0.1556 CCCCCCCN(C)C(=O)CSCCC 11a_100000228206_100000217233 [0,0,1,0,1,0|2,0,0]=4 10832 B15R0.1556 CCCCCCCN(C)C(=O)CSCCC 1626a_100000228206_100000217233 [0,0,1,0,1,0|2,0,0]=4 10833 B15R0.1556 CCCCCCCN(C)C(=O)CSCCC 240690a_100000228206_100000217233 [0,0,1,0,1,0|2,0,0]=4 10834 B15R0.1556 CCCCCCCN(C)C(=O)CSCCC 527a_100000228206_100000217233 [0,0,1,0,1,0|2,0,0]=4 10835 B15R0.1556 CCCCCCCN(C)C(=O)NCCCC 2708a_100000102301_100000228206 [0,0,1,0,1,0|2,0,0]=4 10836 B15R0.1556 CCCCCCCN(C)C(=O)NCCCC 273464a_100000102301_100000228206 [0,0,1,0,1,0|2,0,0]=4 10837 B15R0.1556 CCCCCCCN(C)C(C)CCCCC 2230a_100000228206_200011218191 [0,0,1,0,1,0|2,0,0]=4 10838 B15R0.1556 CCCCCCCN(C)C(C)CCCCC 269982a_100000228206_200011218191 [0,0,1,0,1,0|2,0,0]=4 10839 B15R0.1556 CCCCCCCN(C)C(C)CCCCC 270004a_100000228206_100000211708 [0,0,1,0,1,0|2,0,0]=4 10840 B15R0.1556 CCCCCCNC(=O)C(C)CCCCC 11a_100000210581_100011215998 [0,0,1,0,1,0|1,0,0]=3 10841 B15R0.1556 CCCCCCNC(=O)C(C)CCCCC 1626a_100000210581_100011215998 [0,0,1,0,1,0|1,0,0]=3 10842 B15R0.1556 CCCCCCNC(=O)C(C)CCCCC 240690a_100000210581_100011215998 [0,0,1,0,1,0|1,0,0]=3 10843 B15R0.1556 CCCCCCNC(=O)C(C)CCCCC 527a_100000210581_100011215998 [0,0,1,0,1,0|1,0,0]=3 10844 B15R0.1556 CCCCCCNC(=O)C(C)SCCCC 11a_100000210581_100000191163 [0,0,1,0,1,0|2,0,0]=4 10845 B15R0.1556 CCCCCCNC(=O)C(C)SCCCC 1626a_100000210581_100000191163 [0,0,1,0,1,0|2,0,0]=4 10846 B15R0.1556 CCCCCCNC(=O)C(C)SCCCC 240690a_100000210581_100000191163 [0,0,1,0,1,0|2,0,0]=4 10847 B15R0.1556 CCCCCCNC(=O)C(C)SCCCC 527a_100000210581_100000191163 [0,0,1,0,1,0|2,0,0]=4 10848 B15R0.1556 CCCCCCNC(=O)N(C)CCCCC 2708a_100000210581_100000223495 [0,0,1,0,1,0|2,0,0]=4 10849 B15R0.1556 CCCCCCNC(=O)N(C)CCCCC 273464a_100000210581_100000223495 [0,0,1,0,1,0|2,0,0]=4 10850 B15R0.1556 CCCCCCNC(C)C(=O)NCCCC 2230a_100000210581_100000735917 [0,0,1,0,1,0|2,0,0]=4 10851 B15R0.1556 CCCCCCNC(C)C(=O)OCCCC 2230a_100000210581_100000759602 [0,0,1,0,1,0|2,0,0]=4 10852 B15R0.1556 CCCCCCOC(C)C(=O)NCCCC 34a_100000210259_100000735917 [0,0,1,0,1,0|2,0,0]=4 10853 B15R0.1556 CCCCCCOC(C)C(=O)NCCCC 7a_100000210259_100000735917 [0,0,1,0,1,0|2,0,0]=4 10854 B15R0.1556 CCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100000210314 [0,0,1,0,1,0|2,0,0]=4 10855 B15R0.1556 CCCCCCOC(C)C(=O)OCCCC 34a_100000210259_100000759602 [0,0,1,0,1,0|2,0,0]=4 10856 B15R0.1556 CCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210314 [0,0,1,0,1,0|2,0,0]=4 10857 B15R0.1556 CCCCCCOC(C)C(=O)OCCCC 7a_100000210259_100000759602 [0,0,1,0,1,0|2,0,0]=4 10858 B15R0.1556 CCCCCCSC(C)C(=O)NCCCC 62a_100000210314_100000735917 [0,0,1,0,1,0|2,0,0]=4 10859 B15R0.1556 CCCCCCSC(C)C(=O)NCCCC 62a_100000735917_100000210757 [0,0,1,0,1,0|2,0,0]=4 10860 B15R0.1556 CCCCCCSC(C)C(=O)OCCCC 62a_100000210314_100000759602 [0,0,1,0,1,0|2,0,0]=4 10861 B15R0.1556 CCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100000210757 [0,0,1,0,1,0|2,0,0]=4 10862 B15R0.1556 CCCCCN(C)C(=O)CCCCCCO 240690a_100000223495_100011996774 [0,0,1,0,1,0|2,0,0]=4 10863 B15R0.1556 CCCCCN(C)C(=O)CCCCCOC 11a_100000223495_100011935119 [0,0,1,0,1,0|2,0,0]=4 10864 B15R0.1556 CCCCCN(C)C(=O)CCCCCOC 1626a_100000223495_100011935119 [0,0,1,0,1,0|2,0,0]=4 10865 B15R0.1556 CCCCCN(C)C(=O)CCCCCOC 240690a_100000223495_100011935119 [0,0,1,0,1,0|2,0,0]=4 10866 B15R0.1556 CCCCCN(C)C(=O)CCCCCOC 527a_100000223495_100011935119 [0,0,1,0,1,0|2,0,0]=4 10867 B15R0.1556 CCCCCNNC(=O)C(C)CCCCC 22a_100000694160_100011215998 [0,0,1,0,1,0|2,0,0]=4 10868 B15R0.1556 CCCCOCCC(=O)C(C)SCCCC 1458a_100000191163_100000743108 [0,0,1,0,1,0|2,0,0]=4 10869 B15R0.1556 CCCCSC(C)C(=O)CCCCCCF 1458a_100000191163_100015922095 [0,0,1,0,1,0|2,0,0]=4 10870 B15R0.1556 CCCCSC(C)C(=O)CCCCCCO 1458a_100000191163_100000766143 [0,0,1,0,1,0|2,0,0]=4 10871 B17R0.950 CCCCCCC(=O)NN=C(C)CCCCCC 4a_100011221127_100000210826 [0,0,1,0,0,1|1,0,1]=4 10872 B17R0.950 CCCCCCC(C)NCC(=O)NCCCCC 2230a_100000210919_100000230301 [0,0,1,0,0,1|1,0,0]=3 10873 B17R0.950 CCCCCCC(C)NCC(=O)NCCCCC 34a_100000210919_100000230301 [0,0,1,0,0,1|1,0,0]=3 10874 B17R0.950 CCCCCCC(C)NCC(=O)NCCCOC 2230a_100000210919_100000183178 [0,0,1,0,0,1|2,0,0]=4 10875 B17R0.950 CCCCCCC(C)NCC(=O)NCCCOC 34a_100000210919_100000183178 [0,0,1,0,0,1|2,0,0]=4 10876 B17R0.950 CCCCCCC(C)NCC(=O)OCCOCC 2230a_100000210919_200000101388 [0,0,1,0,0,1|2,0,0]=4 10877 B17R0.950 CCCCCCC(C)NCC(=O)OCCOCC 34a_100000210919_200000101388 [0,0,1,0,0,1|2,0,0]=4 10878 B17R0.950 CCCCCCC(C)OCC(=O)NCCCCC 34a_100000210265_100000230301 [0,0,1,0,0,1|1,0,0]=3 10879 B17R0.950 CCCCCCC(C)OCC(=O)NCCCCC 7a_100000210265_100000230301 [0,0,1,0,0,1|1,0,0]=3 10880 B17R0.950 CCCCCCC(C)OCC(=O)NCCCOC 34a_100000210265_100000183178 [0,0,1,0,0,1|2,0,0]=4 10881 B17R0.950 CCCCCCC(C)OCC(=O)NCCCOC 7a_100000210265_100000183178 [0,0,1,0,0,1|2,0,0]=4 10882 B17R0.950 CCCCCCC(C)OCC(=O)OCCOCC 34a_100000210265_200000101388 [0,0,1,0,0,1|2,0,0]=4 10883 B17R0.950 CCCCCCC(C)OCC(=O)OCCOCC 7a_100000210265_200000101388 [0,0,1,0,0,1|2,0,0]=4 10884 B17R0.950 CCCCCCC(C)SCC(=O)NCCCCC 62a_100000230301_100011215978 [0,0,1,0,0,1|1,0,0]=3 10885 B17R0.950 CCCCCCC(C)SCC(=O)NCCCCC 62a_100011215978_100000230301 [0,0,1,0,0,1|1,0,0]=3 10886 B17R0.950 CCCCCCC(C)SCC(=O)NCCCOC 62a_100000183178_100011215978 [0,0,1,0,0,1|2,0,0]=4 10887 B17R0.950 CCCCCCC(C)SCC(=O)OCCOCC 62a_100011215978_200000101388 [0,0,1,0,0,1|2,0,0]=4 10888 B17R0.950 CCCCCCC(C)SCC(=O)OCCOCC 62a_200000101388_100011215978 [0,0,1,0,0,1|2,0,0]=4 10889 B17R0.950 CCCCCNC(=O)COC(C)COCCCC 34a_100011217071_100000230301 [0,0,1,0,0,1|2,0,0]=4 10890 B17R0.950 CCCCCNC(=O)COC(C)COCCCC 7a_100011217071_100000230301 [0,0,1,0,0,1|2,0,0]=4 10891 B17R0.12415 C#CCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000029693 [0,0,1,0,0,1|0,0,2]=4 10892 B17R0.12415 C#CCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000029693 [0,0,1,0,0,1|0,0,2]=4 10893 B17R0.12415 C#CCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000029693 [0,0,1,0,0,1|0,0,2]=4 10894 B17R0.12415 C#CCCCCCCCCC(=O)NCC(C)CC 527a_100020588543_100000029693 [0,0,1,0,0,1|0,0,2]=4 10895 B17R0.12415 C=CCCCCCCCCC(=O)CCC(C)CC 1458a_100000701222_100011933949 [0,0,1,0,0,1|0,0,2]=4 10896 B17R0.12415 C=CCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000211349 [0,0,1,0,0,1|0,0,2]=4 10897 B17R0.12415 C=CCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000211349 [0,0,1,0,0,1|0,0,2]=4 10898 B17R0.12415 C=CCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000211349 [0,0,1,0,0,1|0,0,2]=4 10899 B17R0.12415 C=CCCCCCCCCC(=O)NCC(C)CC 527a_100020588543_100000211349 [0,0,1,0,0,1|0,0,2]=4 10900 B17R0.12415 CC#CCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000066323 [0,0,1,0,0,1|0,0,2]=4 10901 B17R0.12415 CC#CCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000066323 [0,0,1,0,0,1|0,0,2]=4 10902 B17R0.12415 CC#CCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000066323 [0,0,1,0,0,1|0,0,2]=4 10903 B17R0.12415 CC#CCCCCCCCC(=O)NCC(C)CC 527a_100020588543_100000066323 [0,0,1,0,0,1|0,0,2]=4 10904 B17R0.12415 CC(CO)CNC(=O)CCCCCCCCCF 240690a_100000744482_200009909015 [0,0,1,0,0,1|2,0,0]=4 10905 B17R0.12415 CC(CO)CNC(=O)CCCCCCCCCF 527a_100000744482_200009909015 [0,0,1,0,0,1|2,0,0]=4 10906 B17R0.12415 CC(CO)CNC(=O)CCCCCCCCCO 240690a_100000744482_100000032657 [0,0,1,0,0,1|2,0,0]=4 10907 B17R0.12415 CCC#CCCCCCCC(=O)CCC(C)CC 1458a_100000701222_200000036426 [0,0,1,0,0,1|0,0,2]=4 10908 B17R0.12415 CCC(C)CCC(=O)CCCCCCCCCO 1458a_100000701222_100009813782 [0,0,1,0,0,1|1,0,0]=3 10909 B17R0.12415 CCC(C)CCC(=O)NCCCCCCCCO 240690a_102515433106_100000701222 [0,0,1,0,0,1|2,0,0]=4 10910 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCF 11a_100020588543_200009909015 [0,0,1,0,0,1|1,0,0]=3 10911 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCF 240690a_100020588543_200009909015 [0,0,1,0,0,1|1,0,0]=3 10912 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCF 527a_100020588543_200009909015 [0,0,1,0,0,1|1,0,0]=3 10913 B17R0.12415 CCC(C)CNC(=O)CCCCCCCCCO 240690a_100020588543_100000032657 [0,0,1,0,0,1|1,0,0]=3 10914 B17R0.12415 CCC(C)CNC(=O)NCCCCCCCCO 2708a_100020588543_102515433106 [0,0,1,0,0,1|2,0,0]=4 10915 B17R0.12415 CCC(C)CNC(=O)NCCCCCCCCO 2708a_102515433106_100020588543 [0,0,1,0,0,1|2,0,0]=4 10916 B17R0.12415 CCC(C)CNC(=O)NCCCCCCCCO 273464a_100020588543_102515433106 [0,0,1,0,0,1|2,0,0]=4 10917 B17R0.12415 CCC(C)CNC(=O)NCCCCCCCCO 273464a_102515433106_100020588543 [0,0,1,0,0,1|2,0,0]=4 10918 B17R0.12415 CCC(C)CNC(=O)NCCCCCCCCO 512a_100020588543_102515433106 [0,0,1,0,0,1|2,0,0]=4 10919 B17R0.12415 CCC(C)CNC(=O)NCCCCCCCCO 512a_102515433106_100020588543 [0,0,1,0,0,1|2,0,0]=4 10920 B17R0.12415 CCC(C)NNC(=O)CCCCCCCCCF 22a_100000718999_200009909015 [0,0,1,0,0,1|2,0,0]=4 10921 B17R0.12415 CCC(C)NNC(=O)CCCCCCCCCO 22a_100000718999_100000032657 [0,0,1,0,0,1|2,0,0]=4 10922 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 11a_100011218483_200009909015 [0,0,1,0,0,1|2,0,0]=4 10923 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 240690a_100011218483_200009909015 [0,0,1,0,0,1|2,0,0]=4 10924 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCF 527a_100011218483_200009909015 [0,0,1,0,0,1|2,0,0]=4 10925 B17R0.12415 CCC(O)CNC(=O)CCCCCCCCCO 240690a_100011218483_100000032657 [0,0,1,0,0,1|2,0,0]=4 10926 B17R0.12415 CCCCCCCCC=CC(=O)NCC(C)CC 11a_100020588543_100015345288 [0,0,1,0,0,1|0,0,2]=4 10927 B17R0.12415 CCCCCCCCC=CC(=O)NCC(C)CC 1626a_100020588543_100015345288 [0,0,1,0,0,1|0,0,2]=4 10928 B17R0.12415 CCCCCCCCC=CC(=O)NCC(C)CC 240690a_100020588543_100015345288 [0,0,1,0,0,1|0,0,2]=4 10929 B17R0.12415 CCCCCCCCCCC(=NNC(=O)CC)C 4a_100000183195_200011219864 [0,0,1,0,0,1|1,0,1]=4 10930 B17R0.12415 CCCCCCCCCCC(=NNC(C)CC)C 4a_100000718999_200011219864 [0,0,1,0,0,1|2,0,0]=4 10931 B17R0.12415 CCCCCCCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210319 [0,0,1,0,0,1|0,0,0]=2 10932 B17R0.12415 CCCCCCCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210319 [0,0,1,0,0,1|1,0,0]=3 10933 B17R0.12415 CCCCCCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210319 [0,0,1,0,0,1|2,0,0]=4 10934 B17R0.12415 CCCCCCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210319 [0,0,1,0,0,1|1,0,1]=4 10935 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000210375 [0,0,1,0,0,1|0,0,0]=2 10936 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000210375 [0,0,1,0,0,1|0,0,0]=2 10937 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000210375 [0,0,1,0,0,1|0,0,0]=2 10938 B17R0.12415 CCCCCCCCCCC(=O)NCC(C)CO 240690a_100000744482_100000210375 [0,0,1,0,0,1|1,0,0]=3 10939 B17R0.12415 CCCCCCCCCCC(=O)NCC(O)CC 11a_100011218483_100000210375 [0,0,1,0,0,1|1,0,0]=3 10940 B17R0.12415 CCCCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100000210375 [0,0,1,0,0,1|1,0,0]=3 10941 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210375 [0,0,1,0,0,1|1,0,0]=3 10942 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210375 [0,0,1,0,0,1|1,0,0]=3 10943 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210375 [0,0,1,0,0,1|1,0,0]=3 10944 B17R0.12415 CCCCCCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210375 [0,0,1,0,0,1|2,0,0]=4 10945 B17R0.12415 CCCCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210375 [0,0,1,0,0,1|2,0,0]=4 10946 B17R0.12415 CCCCCCCCCCC(=O)NNC(C)CC 22a_100000718999_100000210375 [0,0,1,0,0,1|1,0,0]=3 10947 B17R0.12415 CCCCCCCCCCC(C)NCC(=O)NC 270004a_100000693194_200011219864 [0,0,1,0,0,1|1,0,0]=3 10948 B17R0.12415 CCCCCCCCCCC(C)NCC(C)CC 270004a_100020588543_200011219864 [0,0,1,0,0,1|1,0,1]=4 10949 B17R0.12415 CCCCCCCCCCC(C)NCC(O)CC 270004a_100011218483_200011219864 [0,0,1,0,0,1|0,0,2]=4 10950 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)CC 7a_100011215000_100000747405 [0,0,1,0,0,1|0,0,0]=2 10951 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)NC 34a_100011215000_100000183359 [0,0,1,0,0,1|1,0,0]=3 10952 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)NC 7a_100011215000_100000183359 [0,0,1,0,0,1|1,0,0]=3 10953 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)OC 34a_100011215000_100000747449 [0,0,1,0,0,1|1,0,0]=3 10954 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)OC 7a_100011215000_100000747449 [0,0,1,0,0,1|1,0,0]=3 10955 B17R0.12415 CCCCCCCCCCC(C)OCC(C)CC 34a_100011215000_100000748023 [0,0,1,0,0,1|1,0,1]=4 10956 B17R0.12415 CCCCCCCCCCC(C)OCC(C)CC 7a_100011215000_100000748023 [0,0,1,0,0,1|1,0,1]=4 10957 B17R0.12415 CCCCCCCCCCC(C)OCC(O)CC 34a_100011215000_100011218378 [0,0,1,0,0,1|0,0,2]=4 10958 B17R0.12415 CCCCCCCCCCC(C)OCC(O)CC 7a_100011215000_100011218378 [0,0,1,0,0,1|0,0,2]=4 10959 B17R0.12415 CCCCCCCCCCC(C)OC[C@@H](C)CC 34a_100011215000_100009816398 [0,0,1,0,0,1|1,0,1]=4 10960 B17R0.12415 CCCCCCCCCCC(C)OC[C@@H](C)CC 7a_100011215000_100009816398 [0,0,1,0,0,1|1,0,1]=4 10961 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)NC 2230a_100000207566_100000737683 [0,0,1,0,0,1|2,0,0]=4 10962 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210320 [0,0,1,0,0,1|2,0,0]=4 10963 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)NC 269982a_100000207566_100000737683 [0,0,1,0,0,1|2,0,0]=4 10964 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210320 [0,0,1,0,0,1|2,0,0]=4 10965 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)OC 2230a_100000207566_100000204255 [0,0,1,0,0,1|2,0,0]=4 10966 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)OC 269982a_100000207566_100000204255 [0,0,1,0,0,1|2,0,0]=4 10967 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210320 [0,0,1,0,0,1|2,0,0]=4 10968 B17R0.12415 CCCCCCCCCNC(=O)CCC(C)CC 11a_100000212291_100000701222 [0,0,1,0,0,1|1,0,0]=3 10969 B17R0.12415 CCCCCCCCCNC(=O)CCC(C)CC 1626a_100000212291_100000701222 [0,0,1,0,0,1|1,0,0]=3 10970 B17R0.12415 CCCCCCCCCNC(=O)CCC(C)CC 240690a_100000212291_100000701222 [0,0,1,0,0,1|1,0,0]=3 10971 B17R0.12415 CCCCCCCCCNC(=O)CCC(C)CC 527a_100000212291_100000701222 [0,0,1,0,0,1|1,0,0]=3 10972 B17R0.12415 CCCCCCCCCNC(=O)CCC(O)CC 1626a_100000212291_203496584001 [0,0,1,0,0,1|2,0,0]=4 10973 B17R0.12415 CCCCCCCCCNC(=O)CCC(O)CC 240690a_100000212291_203496584001 [0,0,1,0,0,1|2,0,0]=4 10974 B17R0.12415 CCCCCCCCCNC(=O)CCN(C)CC 240690a_100000212291_100000755305 [0,0,1,0,0,1|2,0,0]=4 10975 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 2708a_100000212291_100020588543 [0,0,1,0,0,1|1,0,0]=3 10976 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 2708a_100020588543_100000212291 [0,0,1,0,0,1|1,0,0]=3 10977 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 273464a_100000212291_100020588543 [0,0,1,0,0,1|1,0,0]=3 10978 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 273464a_100020588543_100000212291 [0,0,1,0,0,1|1,0,0]=3 10979 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 512a_100000212291_100020588543 [0,0,1,0,0,1|1,0,0]=3 10980 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CC 512a_100020588543_100000212291 [0,0,1,0,0,1|1,0,0]=3 10981 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CO 2708a_100000212291_100000744482 [0,0,1,0,0,1|2,0,0]=4 10982 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CO 273464a_100000212291_100000744482 [0,0,1,0,0,1|2,0,0]=4 10983 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CO 273464a_100000744482_100000212291 [0,0,1,0,0,1|2,0,0]=4 10984 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CO 512a_100000212291_100000744482 [0,0,1,0,0,1|2,0,0]=4 10985 B17R0.12415 CCCCCCCCCNC(=O)NCC(C)CO 512a_100000744482_100000212291 [0,0,1,0,0,1|2,0,0]=4 10986 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 2708a_100000212291_100011218483 [0,0,1,0,0,1|2,0,0]=4 10987 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 273464a_100000212291_100011218483 [0,0,1,0,0,1|2,0,0]=4 10988 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 273464a_100011218483_100000212291 [0,0,1,0,0,1|2,0,0]=4 10989 B17R0.12415 CCCCCCCCCNC(=O)NCC(O)CC 512a_100011218483_100000212291 [0,0,1,0,0,1|2,0,0]=4 10990 B17R0.12415 CCCCCCCCCNC(=O)NC[C@@H](C)OC 2708a_100000212291_100020591295 [0,0,1,0,0,1|2,0,0]=4 10991 B17R0.12415 CCCCCCCCCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100000212291 [0,0,1,0,0,1|2,0,0]=4 10992 B17R0.12415 CCCCCCCCCNC(=O)NC[C@@H](C)OC 273464a_100000212291_100020591295 [0,0,1,0,0,1|2,0,0]=4 10993 B17R0.12415 CCCCCCCCCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000212291 [0,0,1,0,0,1|2,0,0]=4 10994 B17R0.12415 CCCCCCCCCNC(=O)NC[C@@H](C)OC 512a_100000212291_100020591295 [0,0,1,0,0,1|2,0,0]=4 10995 B17R0.12415 CCCCCCCCCNC(=O)NC[C@@H](C)OC 512a_100020591295_100000212291 [0,0,1,0,0,1|2,0,0]=4 10996 B17R0.12415 CCCCCCCCCNC(=O)NNC(C)CC 273464a_100000212291_100000718999 [0,0,1,0,0,1|2,0,0]=4 10997 B17R0.12415 CCCCCCCCCNC(=O)NNC(C)CC 512a_100000212291_100000718999 [0,0,1,0,0,1|2,0,0]=4 10998 B17R0.12415 CCCCCCCCCNC(=O)NNC(C)CC 512a_100000718999_100000212291 [0,0,1,0,0,1|2,0,0]=4 10999 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CC 11a_100020588543_100000759886 [0,0,1,0,0,1|1,0,0]=3 11000 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CC 1626a_100020588543_100000759886 [0,0,1,0,0,1|1,0,0]=3 11001 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CC 240690a_100020588543_100000759886 [0,0,1,0,0,1|1,0,0]=3 11002 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CC 527a_100020588543_100000759886 [0,0,1,0,0,1|1,0,0]=3 11003 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CO 240690a_100000744482_100000759886 [0,0,1,0,0,1|2,0,0]=4 11004 B17R0.12415 CCCCCCCCOCC(=O)NCC(C)CO 527a_100000744482_100000759886 [0,0,1,0,0,1|2,0,0]=4 11005 B17R0.12415 CCCCCCCCOCC(=O)NCC(O)CC 11a_100011218483_100000759886 [0,0,1,0,0,1|2,0,0]=4 11006 B17R0.12415 CCCCCCCCOCC(=O)NCC(O)CC 240690a_100011218483_100000759886 [0,0,1,0,0,1|2,0,0]=4 11007 B17R0.12415 CCCCCCCCOCC(=O)NCC(O)CC 527a_100011218483_100000759886 [0,0,1,0,0,1|2,0,0]=4 11008 B17R0.12415 CCCCCCCCOCC(=O)NC[C@@H](C)OC 11a_100020591295_100000759886 [0,0,1,0,0,1|2,0,0]=4 11009 B17R0.12415 CCCCCCCCOCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000759886 [0,0,1,0,0,1|2,0,0]=4 11010 B17R0.12415 CCCCCCCCOCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000759886 [0,0,1,0,0,1|2,0,0]=4 11011 B17R0.12415 CCCCCCCCOCC(=O)NC[C@@H](C)OC 527a_100020591295_100000759886 [0,0,1,0,0,1|2,0,0]=4 11012 B17R0.12415 CCCCCCCCOCC(=O)NNC(C)CC 22a_100000718999_100000759886 [0,0,1,0,0,1|2,0,0]=4 11013 B17R0.12415 CCN(C)CCC(=O)CCCCCCCCCO 1458a_100000755305_100009813782 [0,0,1,0,0,1|2,0,0]=4 11014 B17R0.12415 CO[C@H](C)CNC(=O)CCCCCCCCCF 11a_100020591295_200009909015 [0,0,1,0,0,1|2,0,0]=4 11015 B17R0.12415 CO[C@H](C)CNC(=O)CCCCCCCCCF 240690a_100020591295_200009909015 [0,0,1,0,0,1|2,0,0]=4 11016 B17R0.12415 CO[C@H](C)CNC(=O)CCCCCCCCCF 527a_100020591295_200009909015 [0,0,1,0,0,1|2,0,0]=4 11017 B17R0.12415 CO[C@H](C)CNC(=O)CCCCCCCCCO 240690a_100020591295_100000032657 [0,0,1,0,0,1|2,0,0]=4 11018 B17R0.5782 C#CCCCCCCC(=O)CCC(C)CCCC 1458a_100000033779_100012276617 [0,0,1,0,0,1|0,0,2]=4 11019 B17R0.5782 C=CCCCCCCC(=O)CCC(C)CCCC 1458a_100000033779_100011215473 [0,0,1,0,0,1|0,0,2]=4 11020 B17R0.5782 CCCCC(C)CCC(=O)CCCCCCC#N 1458a_100000033779_100009813337 [0,0,1,0,0,1|1,0,1]=4 11021 B17R0.5782 CCCCC(C)CCC(=O)CCCCCCCO 1458a_100000033779_100000760002 [0,0,1,0,0,1|1,0,0]=3 11022 B17R0.5782 CCCCC(C)CCC(=O)CCCCCCOC 1458a_100000033779_100011998445 [0,0,1,0,0,1|1,0,0]=3 11023 B17R0.5782 CCCCC(C)CCC(=O)CCCOCCOC 1458a_100000033779_100011216529 [0,0,1,0,0,1|2,0,0]=4 11024 B17R0.5782 CCCCC(C)CCC(=O)CCOCCOCC 1458a_100000033779_100011211534 [0,0,1,0,0,1|2,0,0]=4 11025 B17R0.5782 CCCCC(C)CCC(=O)NCCCCCCO 240690a_100000686447_100000033779 [0,0,1,0,0,1|2,0,0]=4 11026 B17R0.5782 CCCCC(C)CCC(=O)NCCCCCCO 527a_100000686447_100000033779 [0,0,1,0,0,1|2,0,0]=4 11027 B17R0.5782 CCCCC(C)CCC(=O)NCCCCCOC 11a_100000747528_100000033779 [0,0,1,0,0,1|2,0,0]=4 11028 B17R0.5782 CCCCC(C)CCC(=O)NCCCCCOC 1626a_100000747528_100000033779 [0,0,1,0,0,1|2,0,0]=4 11029 B17R0.5782 CCCCC(C)CCC(=O)NCCCCCOC 240690a_100000747528_100000033779 [0,0,1,0,0,1|2,0,0]=4 11030 B17R0.5782 CCCCC(C)CCC(=O)NCCCCCOC 527a_100000747528_100000033779 [0,0,1,0,0,1|2,0,0]=4 11031 B17R0.5782 CCCCC(C)CCC(=O)NCCCOCCC 1626a_100011217757_100000033779 [0,0,1,0,0,1|2,0,0]=4 11032 B17R0.5782 CCCCC(C)CCC(=O)NCCCOCCC 240690a_100011217757_100000033779 [0,0,1,0,0,1|2,0,0]=4 11033 B17R0.5782 CCCCC(C)CCC(=O)NCCCOCCC 527a_100011217757_100000033779 [0,0,1,0,0,1|2,0,0]=4 11034 B17R0.5782 CCCCCC#CCC(=O)CCC(C)CCCC 1458a_100000033779_100009816472 [0,0,1,0,0,1|0,0,2]=4 11035 B17R0.5782 CCCCCCCCC(=NNC(=O)CCCC)C 4a_100000189769_100011216694 [0,0,1,0,0,1|1,0,1]=4 11036 B17R0.5782 CCCCCCCCC(=O)CCC(C)CCCC 1458a_100000033779_100000210759 [0,0,1,0,0,1|0,0,0]=2 11037 B17R0.5782 CCCCCCCCC(=O)CCN(C)CCOC 1458a_200103286627_100000210759 [0,0,1,0,0,1|2,0,0]=4 11038 B17R0.5782 CCCCCCCCC(=O)NCC(C)OCCC 11a_100015185124_100000210188 [0,0,1,0,0,1|1,0,0]=3 11039 B17R0.5782 CCCCCCCCC(=O)NCC(C)OCCC 1626a_100015185124_100000210188 [0,0,1,0,0,1|1,0,0]=3 11040 B17R0.5782 CCCCCCCCC(=O)NCC(C)OCCC 240690a_100015185124_100000210188 [0,0,1,0,0,1|1,0,0]=3 11041 B17R0.5782 CCCCCCCCC(=O)NCC(C)OCCC 527a_100015185124_100000210188 [0,0,1,0,0,1|1,0,0]=3 11042 B17R0.5782 CCCCCCCCC(=O)NCC(O)COCC 240690a_102515437182_100000210188 [0,0,1,0,0,1|2,0,0]=4 11043 B17R0.5782 CCCCCCCCC(=O)NCC(O)COCC 527a_102515437182_100000210188 [0,0,1,0,0,1|2,0,0]=4 11044 B17R0.5782 CCCCCCCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210188 [0,0,1,0,0,1|1,0,0]=3 11045 B17R0.5782 CCCCCCCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210188 [0,0,1,0,0,1|1,0,0]=3 11046 B17R0.5782 CCCCCCCCC(C)CNC(C)CCCC 270004a_100000126638_100011995885 [0,0,1,0,0,1|1,0,1]=4 11047 B17R0.5782 CCCCCCCCC(C)COC(C)CCCC 34a_200012125181_200011215066 [0,0,1,0,0,1|1,0,1]=4 11048 B17R0.5782 CCCCCCCCC(C)COC(C)CCCC 7a_200012125181_200011215066 [0,0,1,0,0,1|1,0,1]=4 11049 B17R0.5782 CCCCCCCCC(C)NCC(=O)NCCC 270004a_100000174927_100011216694 [0,0,1,0,0,1|1,0,0]=3 11050 B17R0.5782 CCCCCCCCC(C)NCC(=O)NCCF 270004a_100000725713_100011216694 [0,0,1,0,0,1|2,0,0]=4 11051 B17R0.5782 CCCCCCCCC(C)OCC(=O)NCCC 34a_100000210740_100000183358 [0,0,1,0,0,1|1,0,0]=3 11052 B17R0.5782 CCCCCCCCC(C)OCC(=O)NCCC 7a_100000210740_100000183358 [0,0,1,0,0,1|1,0,0]=3 11053 B17R0.5782 CCCCCCCCC(C)OCC(=O)OCCC 34a_100000210740_200011215008 [0,0,1,0,0,1|1,0,0]=3 11054 B17R0.5782 CCCCCCCCC(C)OCC(=O)OCCC 7a_100000210740_200011215008 [0,0,1,0,0,1|1,0,0]=3 11055 B17R0.5782 CCCCCCCCN(C)COC(=O)OCCC 269982a_100000207567_200000139673 [0,0,1,0,0,1|2,0,0]=4 11056 B17R0.5782 CCCCCCCNC(=O)CCC(C)CCCC 11a_100000229938_100000033779 [0,0,1,0,0,1|1,0,0]=3 11057 B17R0.5782 CCCCCCCNC(=O)CCC(C)CCCC 1626a_100000229938_100000033779 [0,0,1,0,0,1|1,0,0]=3 11058 B17R0.5782 CCCCCCCNC(=O)CCC(C)CCCC 240690a_100000229938_100000033779 [0,0,1,0,0,1|1,0,0]=3 11059 B17R0.5782 CCCCCCCNC(=O)CCC(C)CCCC 527a_100000229938_100000033779 [0,0,1,0,0,1|1,0,0]=3 11060 B17R0.5782 CCCCCCCNC(=O)NCC(C)OCCC 2708a_100000229938_100015185124 [0,0,1,0,0,1|2,0,0]=4 11061 B17R0.5782 CCCCCCCNC(=O)NCC(C)OCCC 2708a_100015185124_100000229938 [0,0,1,0,0,1|2,0,0]=4 11062 B17R0.5782 CCCCCCCNC(=O)NCC(C)OCCC 273464a_100000229938_100015185124 [0,0,1,0,0,1|2,0,0]=4 11063 B17R0.5782 CCCCCCCNC(=O)NCC(C)OCCC 273464a_100015185124_100000229938 [0,0,1,0,0,1|2,0,0]=4 11064 B17R0.5782 CCCCCCCNC(=O)NCC(C)OCCC 512a_100000229938_100015185124 [0,0,1,0,0,1|2,0,0]=4 11065 B17R0.5782 CCCCCCCNC(=O)NCC(C)OCCC 512a_100015185124_100000229938 [0,0,1,0,0,1|2,0,0]=4 11066 B17R0.5782 CCCCCCCNC(=O)NC[C@H](C)CCCO 2708a_100000229938_100160569302 [0,0,1,0,0,1|2,0,0]=4 11067 B17R0.5782 CCCCCCCNC(=O)NC[C@H](C)CCCO 273464a_100000229938_100160569302 [0,0,1,0,0,1|2,0,0]=4 11068 B17R0.5782 CCCCCCCNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100000229938 [0,0,1,0,0,1|2,0,0]=4 11069 B17R0.5782 CCCCCCCNC(=O)NC[C@H](C)CCCO 512a_100000229938_100160569302 [0,0,1,0,0,1|2,0,0]=4 11070 B17R0.5782 CCCCCCCNC(=O)NC[C@H](C)CCCO 512a_100160569302_100000229938 [0,0,1,0,0,1|2,0,0]=4 11071 B17R0.5782 CCCCSCCNC(=O)CCC(C)CCCC 11a_100025743550_100000033779 [0,0,1,0,0,1|2,0,0]=4 11072 B17R0.5782 CCCCSCCNC(=O)CCC(C)CCCC 1626a_100025743550_100000033779 [0,0,1,0,0,1|2,0,0]=4 11073 B17R0.5782 CCCCSCCNC(=O)CCC(C)CCCC 240690a_100025743550_100000033779 [0,0,1,0,0,1|2,0,0]=4 11074 B17R0.5782 CCCCSCCNC(=O)CCC(C)CCCC 527a_100025743550_100000033779 [0,0,1,0,0,1|2,0,0]=4 11075 B17R0.5782 CCCOC(C)CNC(=O)CCCCCCCO 240690a_100015185124_100011219782 [0,0,1,0,0,1|2,0,0]=4 11076 B17R0.5782 C[C@H](CCCO)CNC(=O)CCCCCCCO 240690a_100160569302_100011219782 [0,0,1,0,0,1|2,0,0]=4 11077 B17R0.6195 C#CCCCCCC(=O)CCC(C)CCCCC 1458a_100000034243_100012094781 [0,0,1,0,0,1|0,0,2]=4 11078 B17R0.6195 C=CCCCCCC(=O)CCC(C)CCCCC 1458a_100000034243_100000700193 [0,0,1,0,0,1|0,0,2]=4 11079 B17R0.6195 CCCCCC(C)CCC(=O)CCCCCC#N 1458a_100000034243_100009813376 [0,0,1,0,0,1|1,0,1]=4 11080 B17R0.6195 CCCCCC(C)CCC(=O)CCCCCCF 1458a_100000034243_100015922095 [0,0,1,0,0,1|1,0,0]=3 11081 B17R0.6195 CCCCCC(C)CCC(=O)CCCCCCO 1458a_100000034243_100000766143 [0,0,1,0,0,1|1,0,0]=3 11082 B17R0.6195 CCCCCC(C)CCC(=O)CCOCCCC 1458a_100000034243_100000743108 [0,0,1,0,0,1|1,0,0]=3 11083 B17R0.6195 CCCCCC(C)CCC(=O)CCOCCOC 1458a_100000034243_100000695917 [0,0,1,0,0,1|2,0,0]=4 11084 B17R0.6195 CCCCCC(C)CCC(=O)NCCCCCO 240690a_100000762737_100000034243 [0,0,1,0,0,1|2,0,0]=4 11085 B17R0.6195 CCCCCC(C)CCC(=O)NCCCOCC 11a_100000210961_100000034243 [0,0,1,0,0,1|2,0,0]=4 11086 B17R0.6195 CCCCCC(C)CCC(=O)NCCCOCC 1626a_100000210961_100000034243 [0,0,1,0,0,1|2,0,0]=4 11087 B17R0.6195 CCCCCC(C)CCC(=O)NCCCOCC 240690a_100000210961_100000034243 [0,0,1,0,0,1|2,0,0]=4 11088 B17R0.6195 CCCCCC(C)CCC(=O)NCCCOCC 527a_100000210961_100000034243 [0,0,1,0,0,1|2,0,0]=4 11089 B17R0.6195 CCCCCC(C)CCC(=O)NCCOCCC 1626a_100161115042_100000034243 [0,0,1,0,0,1|2,0,0]=4 11090 B17R0.6195 CCCCCC(C)CCC(=O)NCCOCCC 240690a_100161115042_100000034243 [0,0,1,0,0,1|2,0,0]=4 11091 B17R0.6195 CCCCCC(C)CCC(=O)NCCOCCC 527a_100161115042_100000034243 [0,0,1,0,0,1|2,0,0]=4 11092 B17R0.6195 CCCCCC(C)CCC(=O)NCCSCCC 11a_100020603323_100000034243 [0,0,1,0,0,1|2,0,0]=4 11093 B17R0.6195 CCCCCC(C)CCC(=O)NCCSCCC 240690a_100020603323_100000034243 [0,0,1,0,0,1|2,0,0]=4 11094 B17R0.6195 CCCCCC(C)CCC(=O)NCCSCCC 527a_100020603323_100000034243 [0,0,1,0,0,1|2,0,0]=4 11095 B17R0.6195 CCCCCCCC(=NNC(=O)CCCCC)C 4a_100000189784_100000210596 [0,0,1,0,0,1|1,0,1]=4 11096 B17R0.6195 CCCCCCCC(=O)CCC(C)CCCCC 1458a_100000034243_100000210614 [0,0,1,0,0,1|0,0,0]=2 11097 B17R0.6195 CCCCCCCC(=O)CCN(C)CCCCC 1458a_100016987678_100000210614 [0,0,1,0,0,1|1,0,0]=3 11098 B17R0.6195 CCCCCCCC(=O)NCC(=O)CCCCC 1458a_100000691742_100000210326 [0,0,1,0,0,1|1,0,1]=4 11099 B17R0.6195 CCCCCCCC(=O)NN=C(C)CCCCC 4a_100000181853_100000211708 [0,0,1,0,0,1|1,0,1]=4 11100 B17R0.6195 CCCCCCCC(=O)OCC(=O)CCCCC 1458a_100000212188_100009852258 [0,0,1,0,0,1|1,0,1]=4 11101 B17R0.6195 CCCCCCCC(=O)OCN(C)CCCCC 2230a_100000223495_100009852258 [0,0,1,0,0,1|1,0,0]=3 11102 B17R0.6195 CCCCCCCC(=O)OCN(C)CCCCC 269982a_100000223495_100009852258 [0,0,1,0,0,1|1,0,0]=3 11103 B17R0.6195 CCCCCCCC(=O)OCN(C)CCCCO 2230a_100000717598_100009852258 [0,0,1,0,0,1|2,0,0]=4 11104 B17R0.6195 CCCCCCCC(=O)OCN(C)CCCCO 269982a_100000717598_100009852258 [0,0,1,0,0,1|2,0,0]=4 11105 B17R0.6195 CCCCCCCC(=O)OCN(C)CCCOC 2230a_100000224831_100009852258 [0,0,1,0,0,1|2,0,0]=4 11106 B17R0.6195 CCCCCCCC(=O)OCN(C)CCCOC 269982a_100000224831_100009852258 [0,0,1,0,0,1|2,0,0]=4 11107 B17R0.6195 CCCCCCCC(C)NCC(=O)NCCOC 2230a_100000754632_200011218727 [0,0,1,0,0,1|2,0,0]=4 11108 B17R0.6195 CCCCCCCC(C)OCC(=O)CCCCC 34a_200011215852_200012276598 [0,0,1,0,0,1|0,0,0]=2 11109 B17R0.6195 CCCCCCCC(C)OCC(=O)CCCCC 7a_200011215852_200012276598 [0,0,1,0,0,1|0,0,0]=2 11110 B17R0.6195 CCCCCCCC(C)OCC(=O)NCCCC 34a_200011215852_100000182744 [0,0,1,0,0,1|1,0,0]=3 11111 B17R0.6195 CCCCCCCC(C)OCC(=O)NCCCC 7a_200011215852_100000182744 [0,0,1,0,0,1|1,0,0]=3 11112 B17R0.6195 CCCCCCCC(C)OCC(=O)NCCOC 34a_200011215852_100000183275 [0,0,1,0,0,1|2,0,0]=4 11113 B17R0.6195 CCCCCCCC(C)OCC(=O)NCCOC 7a_200011215852_100000183275 [0,0,1,0,0,1|2,0,0]=4 11114 B17R0.6195 CCCCCCCC(C)OCC(=O)OCCCC 34a_200011215852_100000211628 [0,0,1,0,0,1|1,0,0]=3 11115 B17R0.6195 CCCCCCCC(C)OCC(=O)OCCCC 7a_200011215852_100000211628 [0,0,1,0,0,1|1,0,0]=3 11116 B17R0.6195 CCCCCCCC(C)OCC(=O)OCCOC 34a_200011215852_200000040189 [0,0,1,0,0,1|2,0,0]=4 11117 B17R0.6195 CCCCCCCC(C)OCC(=O)OCCOC 7a_200011215852_200000040189 [0,0,1,0,0,1|2,0,0]=4 11118 B17R0.6195 CCCCCCCC(C)SCC(=O)CCCCC 62a_200011218727_200012276598 [0,0,1,0,0,1|0,0,0]=2 11119 B17R0.6195 CCCCCCCC(C)SCC(=O)CCCCC 62a_200012276598_200011218727 [0,0,1,0,0,1|0,0,0]=2 11120 B17R0.6195 CCCCCCCC(C)SCC(=O)NCCCC 62a_100000182744_200011218727 [0,0,1,0,0,1|1,0,0]=3 11121 B17R0.6195 CCCCCCCC(C)SCC(=O)NCCCC 62a_200011218727_100000182744 [0,0,1,0,0,1|1,0,0]=3 11122 B17R0.6195 CCCCCCCC(C)SCC(=O)NCCOC 62a_100000183275_200011218727 [0,0,1,0,0,1|2,0,0]=4 11123 B17R0.6195 CCCCCCCC(C)SCC(=O)NCCOC 62a_200011218727_100000183275 [0,0,1,0,0,1|2,0,0]=4 11124 B17R0.6195 CCCCCCCC(C)SCC(=O)OCCCC 62a_100000211628_200011218727 [0,0,1,0,0,1|1,0,0]=3 11125 B17R0.6195 CCCCCCCC(C)SCC(=O)OCCCC 62a_200011218727_100000211628 [0,0,1,0,0,1|1,0,0]=3 11126 B17R0.6195 CCCCCCCC(C)SCC(=O)OCCOC 62a_200000040189_200011218727 [0,0,1,0,0,1|2,0,0]=4 11127 B17R0.6195 CCCCCCCC(C)SCC(=O)OCCOC 62a_200011218727_200000040189 [0,0,1,0,0,1|2,0,0]=4 11128 B17R0.6195 CCCCCCNC(=O)CCC(C)CCCCC 11a_100000210581_100000034243 [0,0,1,0,0,1|1,0,0]=3 11129 B17R0.6195 CCCCCCNC(=O)CCC(C)CCCCC 1626a_100000210581_100000034243 [0,0,1,0,0,1|1,0,0]=3 11130 B17R0.6195 CCCCCCNC(=O)CCC(C)CCCCC 240690a_100000210581_100000034243 [0,0,1,0,0,1|1,0,0]=3 11131 B17R0.6195 CCCCCCNC(=O)CCC(C)CCCCC 527a_100000210581_100000034243 [0,0,1,0,0,1|1,0,0]=3 11132 B17R0.6195 CCCCCCNC(=O)CCN(C)CCCCC 240690a_100000210581_100016987678 [0,0,1,0,0,1|2,0,0]=4 11133 B17R0.6195 CCCCCCNC(=O)CNC(C)CCCCC 2230a_100000211957_100000230325 [0,0,1,0,0,1|1,0,0]=3 11134 B17R0.6195 CCCCCCNC(=O)COC(C)CCCCC 34a_100011215632_100000230325 [0,0,1,0,0,1|1,0,0]=3 11135 B17R0.6195 CCCCCCNC(=O)COC(C)CCCCC 7a_100011215632_100000230325 [0,0,1,0,0,1|1,0,0]=3 11136 B17R0.6195 CCCCCCNC(=O)COC(C)CCCOC 34a_200011539412_100000230325 [0,0,1,0,0,1|2,0,0]=4 11137 B17R0.6195 CCCCCCNC(=O)COC(C)CCCOC 7a_200011539412_100000230325 [0,0,1,0,0,1|2,0,0]=4 11138 B17R0.6195 CCCCCCNC(=O)CSC(C)CCCCC 62a_100000230325_200011218191 [0,0,1,0,0,1|1,0,0]=3 11139 B17R0.6195 CCCCCN(C)CCC(=O)CCCCCCF 1458a_100016987678_100015922095 [0,0,1,0,0,1|2,0,0]=4 11140 B17R0.6195 CCCCCN(C)CCC(=O)CCCCCCO 1458a_100016987678_100000766143 [0,0,1,0,0,1|2,0,0]=4 11141 B17R0.6195 CCCCCN(C)CCC(=O)CCOCCCC 1458a_100016987678_100000743108 [0,0,1,0,0,1|2,0,0]=4 11142 B17R0.6195 CCCCCNNC(=O)CCC(C)CCCCC 22a_100000694160_100000034243 [0,0,1,0,0,1|2,0,0]=4