0 B12R1.28 C#CCCOC1CCCC(=O)C1 34a_100012613340_100000688953 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.28 C#CCOCC1CCCC(=O)N1 34a_200000102386_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.28 C/C=C/COC1CCCC(=O)C1 34a_100012613340_100102629194 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.28 C=CCCOC1CCCC(=O)C1 34a_100012613340_100000754431 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.28 C=CCOCC1CCCC(=O)N1 34a_200000102386_100015514636 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.28 CC#CCOC1CCCC(=O)C1 34a_100012613340_100000748600 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.28 CC1=CC(CCC1)OCCCF 34a_100011218613_100011934791 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.28 CC1=CC(CCC1)OCCCO 34a_100011218613_100000230001 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.28 CC=CCOC1CCCC(=O)C1 34a_100012613340_100000070051 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.28 CCCCCN1CCC=C(C1)C 2230a_100000725631_100000210326 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.28 CCCCCN1CCC=C(C1)C 269982a_100000725631_100000210215 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.28 CCCCCN1CCC=C(C1)C 34a_100000725631_100000718602 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.28 CCCCCN1CCCC(C1)F 2230a_100000697950_100000210326 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.28 CCCCCN1CCCC(C1)F 269982a_100000697950_100000210215 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.28 CCCCCN1CCCC(C1)F 34a_100000697950_100000718602 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.28 CCCCCN1CCCC(C1)O 2230a_100000211013_100000210326 [0,0,0,0,0,0|2,0,2]=4 16 B12R1.28 CCCCCN1CCCC(C1)O 269982a_100000211013_100000210215 [0,0,0,0,0,0|2,0,2]=4 17 B12R1.28 CCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210326 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.28 CCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210215 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.28 CCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000718602 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.28 CCCCNC1CCCC(C1)C 2230a_100011194320_100000210211 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.28 CCCCNC1CCCC(C1)C 270004a_100000102301_100000183594 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.28 CCCCNC1CCCC(C1)C 34a_100011194320_100000210210 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.28 CCCCNC1CCCC(C1)O 2230a_100015190357_100000210211 [0,0,0,0,0,0|2,0,2]=4 26 B12R1.28 CCCCNC1CCCC(C1)O 270004a_100000102301_100012613340 [0,0,0,0,0,0|2,0,2]=4 27 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,0,0,0,0,0|3,0,0]=3 30 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,0,0,0,0,0|2,0,0]=2 31 B12R1.28 CCCCOC1CCCC(C1)C 34a_100000211399_100000210210 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.28 CCCNCC1CCCC(C1)O 2230a_100011254705_100000210303 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,0,0,0,0,0|2,0,0]=2 35 B12R1.28 CCCOCC1CCCN(C1)C 34a_100000210258_100015183302 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,0,0,0,0,0|3,0,0]=3 37 B12R1.28 CCCOCC1COCC(=O)N1 34a_200000101122_100000210303 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.28 CCCSCC1CCCN(C1)C 62a_100000210303_100000752043 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.28 CCCSCC1CCCN(C1)C 62a_100000752043_100000210303 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.28 CCOCCN1CCNC(=O)C1 2230a_100000184651_100011215890 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.28 CCSCCN1CCNC(=O)C1 2230a_100000184651_100000757381 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.28 CNCCCN1CCNC(=O)C1 2230a_100000757908_200000210301 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.28 COCCCC1CCCN(C1)C 2230a_200011934583_200000210301 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.28 COCCCC1CCCN(C1)C 269982a_200011934583_200000210301 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.28 COCCCC1CCCN(C1)C 34a_200011934583_200000210301 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.28 COCCCC1CCCN(C1)[13CH3] 2230a_200011934583_200025704644 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.28 COCCCC1CCCN(C1)[13CH3] 269982a_200011934583_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.28 COCCCC1CCCN(C1)[13CH3] 34a_200011934583_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.28 COCCCN1CCNC(=O)C1 2230a_100000184651_100000740836 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.28 COCCNC1CCNC(=O)C1 2230a_100016994916_100011201679 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.28 COCCNC1CCNC(=O)C1 34a_100016994916_100011201679 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.28 COCCOC1C=C(CCC1)C 34a_100011218613_100011201679 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,0,0,0,0,0|3,0,0]=3 57 B12R1.28 COCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011201679 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.28 CSCCNC1CCNC(=O)C1 2230a_100016994916_100000751147 [0,0,0,0,0,0|4,0,0]=4 59 B12R1.28 CSCCNC1CCNC(=O)C1 34a_100016994916_100000212216 [0,0,0,0,0,0|4,0,0]=4 60 B12R1.28 CSCCOC1C=C(CCC1)C 34a_100011218613_100000212216 [0,0,0,0,0,0|4,0,0]=4 61 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,0,0,0,0,0|3,0,0]=3 62 B12R1.28 CSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000212216 [0,0,0,0,0,0|4,0,0]=4 63 B12R1.28 CSCOCC1CCCC(=O)N1 34a_200000102386_100011218213 [0,0,0,0,0,0|3,0,0]=3 64 B12R1.28 CSCOCC1CCNC(=O)C1 34a_100009886756_100011218213 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.28 CSCOCC1COCC(=O)N1 34a_200000101122_100011218213 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.28 O=C1CC(CCN1)COCCF 34a_100009886756_100011217306 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.28 O=C1CC(CCN1)COCCO 34a_100009886756_100000211926 [0,0,0,0,0,0|4,0,0]=4 68 B12R1.28 O=C1CC(CCN1)NCCCF 2230a_100016994916_100011934791 [0,0,0,0,0,0|4,0,0]=4 69 B12R1.28 O=C1CC(CCN1)NCCCF 34a_100016994916_100011934791 [0,0,0,0,0,0|4,0,0]=4 70 B12R1.28 O=C1CC(CCN1)NCCCO 2230a_100016994916_100000230001 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.28 O=C1CC(CCN1)NCCCO 34a_100016994916_100000230001 [0,0,0,0,0,0|4,0,0]=4 72 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,0,0,0,0,0|3,0,0]=3 73 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,0,0,0,0,0|3,0,0]=3 74 B12R1.28 O=C1CCCC(N1)COCCF 34a_200000102386_100011217306 [0,0,0,0,0,0|3,0,0]=3 75 B12R1.28 O=C1CCCC(N1)COCCO 34a_200000102386_100000211926 [0,0,0,0,0,0|3,0,0]=3 76 B12R1.28 O=C1CN(CCN1)CCCCF 2230a_100000184651_100000729493 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.28 O=C1CN(CCN1)CCCCO 2230a_100000184651_100000210776 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.28 O=C1COCC(N1)COCCF 34a_200000101122_100011217306 [0,0,0,0,0,0|4,0,0]=4 81 B12R1.28 O=C1COCC(N1)COCCO 34a_200000101122_100000211926 [0,0,0,0,0,0|4,0,0]=4 82 B12R1.28 O=C1C[C@@H](CCN1)OCCCF 34a_100015189427_100011934791 [0,0,0,0,0,0|4,0,0]=4 83 B12R1.28 O=C1C[C@@H](CCN1)OCCCO 34a_100015189427_100000230001 [0,0,0,0,0,0|4,0,0]=4 84 B12R1.28 O=CCOCC1CCCC(=O)N1 34a_200000102386_200009817547 [0,0,0,0,0,0|3,0,1]=4 85 B12R1.28 [13CH3]NCCCN1CCNC(=O)C1 2230a_100000757908_200025704644 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.24 CCOCC1COCC(=O)N1 34a_200000101122_100000210202 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.24 O=C1CCCC(N1)COCF 34a_200000102386_100015361967 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.28 BrCCOCC1CCCCO1 34a_100000211926_100000211543 [1,0,0,0,0,0|2,0,1]=4 101 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [1,0,0,0,0,0|2,0,1]=4 103 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [1,0,0,0,0,0|2,0,1]=4 104 B11R1.28 CCCCCN1CCCOC1 2230a_100000131196_100000210326 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.28 CCCCCN1CCCOC1 269982a_100000131196_100000210215 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.28 CCCCCN1CCCOC1 34a_100000131196_100000718602 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [1,0,0,0,0,0|2,0,0]=3 108 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [1,0,0,0,0,0|2,0,0]=3 109 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [1,0,0,0,0,0|2,0,1]=4 110 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [1,0,0,0,0,0|2,0,1]=4 111 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [1,0,0,0,0,0|2,0,1]=4 112 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.28 CCCCNC1CCCOC1 2230a_100000719290_100000210211 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.28 CCCCNC1CCCOC1 270004a_100000102301_100000753404 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.28 CCCCNC1CCCOC1 34a_100000719290_100000210210 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.28 CCCCNC1CCCOC1 7a_106832991798_100000693364 [1,0,0,0,0,0|3,0,0]=4 117 B11R1.28 CCCCNC1CCCSC1 270004a_100000102301_100000057913 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [1,0,0,0,0,0|2,0,1]=4 121 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [1,0,0,0,0,0|2,0,1]=4 122 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [1,0,0,0,0,0|2,0,1]=4 124 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [1,0,0,0,0,0|2,0,1]=4 125 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [1,0,0,0,0,0|1,0,1]=3 126 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [1,0,0,0,0,0|3,0,0]=4 128 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [1,0,0,0,0,0|3,0,0]=4 129 B11R1.28 CCCCOC1CCCSC1 7a_100015962668_100000210211 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.28 CCCCSC1CCCCC1 62a_100000210211_100000210327 [1,0,0,0,0,0|2,0,1]=4 133 B11R1.28 CCCCSC1CCCCC1 62a_100000210327_100000210210 [1,0,0,0,0,0|2,0,1]=4 134 B11R1.28 CCCCSC1CCCOC1 62a_100000210211_100000693364 [1,0,0,0,0,0|3,0,0]=4 135 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [1,0,0,0,0,0|2,0,1]=4 136 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [1,0,0,0,0,0|2,0,1]=4 137 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [1,0,0,0,0,0|2,0,1]=4 138 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [1,0,0,0,0,0|2,0,1]=4 139 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [1,0,0,0,0,0|1,0,1]=3 140 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [1,0,0,0,0,0|1,0,1]=3 141 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.28 CCCNC[C@H]1COCCO1 2230a_100010981119_100000210303 [1,0,0,0,0,0|2,0,1]=4 144 B11R1.28 CCCNC[C@H]1COCCO1 34a_100010981119_100000210303 [1,0,0,0,0,0|2,0,1]=4 145 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [1,0,0,0,0,0|2,0,1]=4 146 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [1,0,0,0,0,0|1,0,1]=3 147 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [1,0,0,0,0,0|2,0,1]=4 148 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [1,0,0,0,0,0|2,0,1]=4 149 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [1,0,0,0,0,0|2,0,1]=4 150 B11R1.28 CCCOCC1CCCCN1 34a_100000210821_100000210303 [1,0,0,0,0,0|2,0,1]=4 151 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [1,0,0,0,0,0|1,0,1]=3 152 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [1,0,0,0,0,0|1,0,1]=3 153 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [1,0,0,0,0,0|1,0,1]=3 154 B11R1.28 CCCOCC1CCCNC1 34a_100000211344_100000210303 [1,0,0,0,0,0|3,0,0]=4 155 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [1,0,0,0,0,0|3,0,0]=4 156 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [1,0,0,0,0,0|3,0,0]=4 157 B11R1.28 CCCOC[C@@H]1CNCCO1 34a_100015189573_100000210303 [1,0,0,0,0,0|2,0,1]=4 158 B11R1.28 CCCOC[C@H]1COCCO1 34a_100009875890_100000210303 [1,0,0,0,0,0|2,0,1]=4 159 B11R1.28 CCCSCC1CCCCC1 62a_100000210303_100000211423 [1,0,0,0,0,0|2,0,1]=4 160 B11R1.28 CCCSCC1CCCCC1 62a_100000211423_100000210303 [1,0,0,0,0,0|2,0,1]=4 161 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [1,0,0,0,0,0|1,0,1]=3 162 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [1,0,0,0,0,0|1,0,1]=3 163 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [1,0,0,0,0,0|3,0,0]=4 164 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [1,0,0,0,0,0|2,0,1]=4 166 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [1,0,0,0,0,0|2,0,1]=4 167 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [1,0,0,0,0,0|2,0,1]=4 168 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [1,0,0,0,0,0|2,0,1]=4 169 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [1,0,0,0,0,0|1,0,1]=3 170 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [1,0,0,0,0,0|1,0,1]=3 171 B11R1.28 CCNCCC1OCCCO1 2230a_100015525214_100000764188 [1,0,0,0,0,0|2,0,1]=4 172 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [1,0,0,0,0,0|2,0,1]=4 173 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [1,0,0,0,0,0|2,0,1]=4 174 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [1,0,0,0,0,0|2,0,1]=4 175 B11R1.28 CCOCCC1CCCCN1 34a_100000211664_100000210202 [1,0,0,0,0,0|2,0,1]=4 176 B11R1.28 CCOCCC1CCCNC1 34a_100000752241_100000210202 [1,0,0,0,0,0|3,0,0]=4 177 B11R1.28 CCOCCC1OCCCO1 34a_100121572206_100000764188 [1,0,0,0,0,0|2,0,1]=4 178 B11R1.28 CCOCSC1C=CCCC1 62a_100000739092_100000751183 [1,0,0,0,0,0|3,0,0]=4 179 B11R1.28 CCOCSC1C=CCCC1 62a_100000751183_100000739092 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [1,0,0,0,0,0|2,0,1]=4 181 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [1,0,0,0,0,0|2,0,1]=4 182 B11R1.28 CCSCCC1OCCCO1 62a_100000210202_100000764188 [1,0,0,0,0,0|2,0,1]=4 183 B11R1.28 CCSCCC1OCCCO1 62a_100000764188_100000210202 [1,0,0,0,0,0|2,0,1]=4 184 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [1,0,0,0,0,0|2,0,1]=4 185 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [1,0,0,0,0,0|2,0,1]=4 186 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [1,0,0,0,0,0|2,0,1]=4 187 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [1,0,0,0,0,0|2,0,1]=4 188 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [1,0,0,0,0,0|2,0,1]=4 189 B11R1.28 CNCCOC1CCCCO1 2230a_106832991635_100000744793 [1,0,0,0,0,0|2,0,1]=4 190 B11R1.28 CNCCOC1CCCCO1 34a_100102657272_100000744793 [1,0,0,0,0,0|2,0,1]=4 191 B11R1.28 CNCCOC1CCCCO1 7a_106832991635_100000744793 [1,0,0,0,0,0|2,0,1]=4 192 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [1,0,0,0,0,0|2,0,1]=4 193 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [1,0,0,0,0,0|2,0,1]=4 194 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [1,0,0,0,0,0|2,0,1]=4 195 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [1,0,0,0,0,0|2,0,1]=4 196 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [1,0,0,0,0,0|3,0,0]=4 197 B11R1.28 COCCNC1C=CCCC1 2230a_100000209980_100000751183 [1,0,0,0,0,0|3,0,0]=4 198 B11R1.28 COCCOC1C=CCCC1 34a_100011215024_100011201679 [1,0,0,0,0,0|3,0,0]=4 199 B11R1.28 COCCOC1CCCCO1 34a_100000033831_100011201679 [1,0,0,0,0,0|2,0,1]=4 200 B11R1.28 COCCOC1CCCCO1 34a_100000034223_200000210301 [1,0,0,0,0,0|2,0,1]=4 201 B11R1.28 COCCOC1CCCCO1 34a_100138415774_100000744793 [1,0,0,0,0,0|2,0,1]=4 202 B11R1.28 COCCOC1CCCCO1 7a_100000034223_200000210301 [1,0,0,0,0,0|2,0,1]=4 203 B11R1.28 COCCSC1C=CCCC1 62a_100000233755_100000751183 [1,0,0,0,0,0|3,0,0]=4 204 B11R1.28 COCCSC1C=CCCC1 62a_100000751183_100000233755 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.28 COCNCC1CCCCO1 2230a_100000174945_100000766300 [1,0,0,0,0,0|2,0,1]=4 206 B11R1.28 COCSCC1CCCCO1 62a_100000211543_100000766300 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.28 COCSCC1CCCCO1 62a_100000766300_100000211543 [1,0,0,0,0,0|2,0,1]=4 208 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [1,0,0,0,0,0|2,0,1]=4 209 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.28 CSCCNC1C=CCCC1 2230a_100020590264_100000751183 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.28 CSCCOC1C=CCCC1 34a_100011215024_100000212216 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.28 CSCCOC1C=CCCC1 7a_100000230434_100000751183 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.28 CSCCOC1CCCCO1 34a_100000033831_100000212216 [1,0,0,0,0,0|2,0,1]=4 214 B11R1.28 CSCCOC1CCCCO1 62a_100000744793_200000210301 [1,0,0,0,0,0|2,0,1]=4 215 B11R1.28 CSCCOC1CCCCO1 62a_200000210301_100000744793 [1,0,0,0,0,0|2,0,1]=4 216 B11R1.28 CSCCSC1C=CCCC1 62a_100000212216_100000751183 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.28 CSCCSC1C=CCCC1 62a_100000751183_100000751147 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.28 CSCNCC1CCCCO1 2230a_100000174945_100011218213 [1,0,0,0,0,0|2,0,1]=4 219 B11R1.28 CSCNCC1CCCCO1 34a_100000174945_100011218213 [1,0,0,0,0,0|2,0,1]=4 220 B11R1.28 CSCOCC1CCC=CO1 34a_100011217868_100011218213 [1,0,0,0,0,0|2,0,1]=4 221 B11R1.28 CSCOCC1CCCCO1 34a_100000211370_100011218213 [1,0,0,0,0,0|2,0,1]=4 222 B11R1.28 CSCSCC1CCCCO1 62a_100000211543_100011218213 [1,0,0,0,0,0|2,0,1]=4 223 B11R1.28 CSCSCC1CCCCO1 62a_100011218213_100000211543 [1,0,0,0,0,0|2,0,1]=4 224 B11R1.28 FCCCNC1C=CCCC1 2230a_100015189416_100000751183 [1,0,0,0,0,0|3,0,0]=4 225 B11R1.28 FCCCOC1C=CCCC1 34a_100011215024_100011934791 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.28 FCCCOC1CCCCO1 34a_100000033831_100011934791 [1,0,0,0,0,0|2,0,1]=4 227 B11R1.28 FCCCSC1C=CCCC1 62a_100000751183_100011934791 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.28 FCCCSC1C=CCCC1 62a_100011934791_100000751183 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.28 FCCNCC1CCCCO1 2230a_100000174945_100011217306 [1,0,0,0,0,0|2,0,1]=4 230 B11R1.28 FCCNCC1CCCCO1 34a_100000174945_100011217306 [1,0,0,0,0,0|2,0,1]=4 231 B11R1.28 FCCNCC1CCCCO1 34a_100000724931_100000211543 [1,0,0,0,0,0|2,0,1]=4 232 B11R1.28 FCCOCC1CCC=CO1 34a_100011217868_100011217306 [1,0,0,0,0,0|2,0,1]=4 233 B11R1.28 FCCOCC1CCCCO1 34a_100000211370_100011217306 [1,0,0,0,0,0|2,0,1]=4 234 B11R1.28 FCCOCC1CCCCO1 7a_100000211370_100011217306 [1,0,0,0,0,0|2,0,1]=4 235 B11R1.28 FCCSCC1CCCCO1 62a_100000211543_100011217306 [1,0,0,0,0,0|2,0,1]=4 236 B11R1.28 FCCSCC1CCCCO1 62a_100011217306_100000211543 [1,0,0,0,0,0|2,0,1]=4 237 B11R1.28 FCNCCC1CCCCO1 34a_100015183643_100015361967 [1,0,0,0,0,0|2,0,1]=4 238 B11R1.28 NCCOCC1CCCCO1 34a_100000210304_100000211543 [1,0,0,0,0,0|2,0,1]=4 239 B11R1.28 OCCCOC1C=CCCC1 34a_100011215024_100000230001 [1,0,0,0,0,0|3,0,0]=4 240 B11R1.28 OCCCOC1CCCCO1 34a_100000033831_100000230001 [1,0,0,0,0,0|2,0,1]=4 241 B11R1.28 OCCCSC1C=CCCC1 62a_100000751183_100011215043 [1,0,0,0,0,0|3,0,0]=4 242 B11R1.28 OCCCSC1C=CCCC1 62a_100011215043_100000751183 [1,0,0,0,0,0|3,0,0]=4 243 B11R1.28 OCCNCC1CCCCO1 2230a_100000174945_100000211926 [1,0,0,0,0,0|2,0,1]=4 244 B11R1.28 OCCNCC1CCCCO1 2230a_100016997473_100000211543 [1,0,0,0,0,0|2,0,1]=4 245 B11R1.28 OCCNCC1CCCCO1 34a_100000174945_100000211926 [1,0,0,0,0,0|2,0,1]=4 246 B11R1.28 OCCNCC1CCCCO1 34a_100016990907_100000211543 [1,0,0,0,0,0|2,0,1]=4 247 B11R1.28 OCCOCC1CCC=CO1 34a_100011217868_100000211926 [1,0,0,0,0,0|2,0,1]=4 248 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [1,0,0,0,0,0|2,0,1]=4 249 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [1,0,0,0,0,0|2,0,1]=4 250 B11R1.28 OCCSCC1CCCCO1 62a_100000211543_100000211926 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.28 OCCSCC1CCCCO1 62a_100000211926_100000211543 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [1,0,0,0,0,0|2,0,1]=4 253 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [1,0,0,0,0,0|2,0,1]=4 254 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [1,0,0,0,0,0|2,0,1]=4 255 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [1,0,0,0,0,0|2,0,1]=4 256 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [1,0,0,0,0,0|2,0,1]=4 257 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [1,0,0,0,0,0|3,0,0]=4 258 B11R1.28 [13CH3]OCCOC1CCCCO1 34a_100000034223_200025704644 [1,0,0,0,0,0|2,0,1]=4 259 B11R1.28 [13CH3]OCCOC1CCCCO1 7a_100000034223_200025704644 [1,0,0,0,0,0|2,0,1]=4 260 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [1,0,0,0,0,0|2,0,1]=4 261 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [1,0,0,0,0,0|2,0,1]=4 262 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_100000744793_200025704644 [1,0,0,0,0,0|2,0,1]=4 263 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_200025704644_100000744793 [1,0,0,0,0,0|2,0,1]=4 264 B13R1.6 C#CCCCOC1CCCC(=O)C1 34a_100012613340_100000695029 [0,1,0,0,0,0|1,0,2]=4 265 B13R1.6 C#CCCOCC1CCCC(=O)N1 34a_200000102386_100000688953 [0,1,0,0,0,0|1,0,2]=4 266 B13R1.6 C/C=C/COCC1CCCC(=O)N1 34a_200000102386_100102629194 [0,1,0,0,0,0|1,0,2]=4 267 B13R1.6 C=CCCCOC1CCCC(=O)C1 34a_100012613340_100000757094 [0,1,0,0,0,0|1,0,2]=4 268 B13R1.6 C=CCCOCC1CCCC(=O)N1 34a_200000102386_100000754431 [0,1,0,0,0,0|1,0,2]=4 269 B13R1.6 CC#CCOCC1CCCC(=O)N1 34a_200000102386_100000748600 [0,1,0,0,0,0|1,0,2]=4 270 B13R1.6 CC/C=C\COC1CCCC(=O)C1 34a_100012613340_100103147603 [0,1,0,0,0,0|1,0,2]=4 271 B13R1.6 CC1=CC(CCC1)OCCCCF 34a_100011218613_100000729493 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.6 CC1=CC(CCC1)OCCCCO 34a_100011218613_100011216708 [0,1,0,0,0,0|3,0,0]=4 273 B13R1.6 CC=CCOCC1CCCC(=O)N1 34a_200000102386_100000070051 [0,1,0,0,0,0|1,0,2]=4 274 B13R1.6 CCC#CCOC1CCCC(=O)C1 34a_100012613340_100009813939 [0,1,0,0,0,0|1,0,2]=4 275 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [0,1,0,0,0,0|3,0,0]=4 276 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,1,0,0,0,0|3,0,0]=4 277 B13R1.6 CCCCCNC1CCCC(C1)C 2230a_100011194320_100000210326 [0,1,0,0,0,0|2,0,1]=4 278 B13R1.6 CCCCCNC1CCCC(C1)C 270004a_100000209983_100000183594 [0,1,0,0,0,0|2,0,1]=4 279 B13R1.6 CCCCCNC1CCCC(C1)C 34a_100011194320_100000718602 [0,1,0,0,0,0|2,0,1]=4 280 B13R1.6 CCCCCNC1CCCC(C1)O 2230a_100015190357_100000210326 [0,1,0,0,0,0|1,0,2]=4 281 B13R1.6 CCCCCNC1CCCC(C1)O 270004a_100000209983_100012613340 [0,1,0,0,0,0|1,0,2]=4 282 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [0,1,0,0,0,0|2,0,0]=3 283 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [0,1,0,0,0,0|2,0,0]=3 284 B13R1.6 CCCCCOC1C=C(CCC1)C 34a_100011218613_100000718602 [0,1,0,0,0,0|2,0,0]=3 285 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,1,0,0,0,0|1,0,0]=2 286 B13R1.6 CCCCCOC1CCCC(C1)C 34a_100000211399_100000718602 [0,1,0,0,0,0|2,0,1]=4 287 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [0,1,0,0,0,0|2,0,0]=3 288 B13R1.6 CCCCNCC1CCCC(C1)O 2230a_100011254705_100000210211 [0,1,0,0,0,0|1,0,2]=4 289 B13R1.6 CCCCNCC1CCCN(C1)C 7a_106832991798_100000752043 [0,1,0,0,0,0|3,0,0]=4 290 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [0,1,0,0,0,0|1,0,0]=2 291 B13R1.6 CCCCOCC1CCCN(C1)C 34a_100000210227_100015183302 [0,1,0,0,0,0|3,0,0]=4 292 B13R1.6 CCCCOCC1CCCN(C1)C 7a_100000210227_100000752043 [0,1,0,0,0,0|3,0,0]=4 293 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [0,1,0,0,0,0|2,0,0]=3 294 B13R1.6 CCCCOCC1COCC(=O)N1 34a_200000101122_100000210210 [0,1,0,0,0,0|2,0,0]=3 295 B13R1.6 CCCCOCN1CCNC(=O)C1 2230a_100000184651_100011995733 [0,1,0,0,0,0|3,0,0]=4 296 B13R1.6 CCCCOCN1CCOC(=O)C1 2230a_100000131268_100011995733 [0,1,0,0,0,0|3,0,0]=4 297 B13R1.6 CCCCSCC1CCCN(C1)C 62a_100000210211_100000752043 [0,1,0,0,0,0|3,0,0]=4 298 B13R1.6 CCCCSCC1CCCN(C1)C 62a_100000752043_100000210210 [0,1,0,0,0,0|3,0,0]=4 299 B13R1.6 CCCOCCN1CCNC(=O)C1 2230a_100000184651_100011215938 [0,1,0,0,0,0|3,0,0]=4 300 B13R1.6 CCCOCCN1CCOC(=O)C1 2230a_100000131268_100011215938 [0,1,0,0,0,0|3,0,0]=4 301 B13R1.6 CCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210202 [0,1,0,0,0,0|3,0,0]=4 302 B13R1.6 CCOCCCN1CCNC(=O)C1 2230a_100000184651_100012232248 [0,1,0,0,0,0|3,0,0]=4 303 B13R1.6 CCOCCCN1CCOC(=O)C1 2230a_100000131268_100012232248 [0,1,0,0,0,0|3,0,0]=4 304 B13R1.6 CCOCCNC1CCNC(=O)C1 2230a_100016994916_100011215890 [0,1,0,0,0,0|3,0,0]=4 305 B13R1.6 CCOCCNC1CCNC(=O)C1 34a_100016994916_100000210147 [0,1,0,0,0,0|3,0,0]=4 306 B13R1.6 CCOCCOC1C=C(CCC1)C 34a_100011218613_100000210147 [0,1,0,0,0,0|3,0,0]=4 307 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [0,1,0,0,0,0|2,0,0]=3 308 B13R1.6 CCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210147 [0,1,0,0,0,0|3,0,0]=4 309 B13R1.6 CCSCCNC1CCNC(=O)C1 2230a_100016994916_100000757381 [0,1,0,0,0,0|3,0,0]=4 310 B13R1.6 CCSCCNC1CCNC(=O)C1 34a_100016994916_100000757381 [0,1,0,0,0,0|3,0,0]=4 311 B13R1.6 CCSCCOC1C=C(CCC1)C 34a_100011218613_100000757381 [0,1,0,0,0,0|3,0,0]=4 312 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [0,1,0,0,0,0|2,0,0]=3 313 B13R1.6 CCSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000757381 [0,1,0,0,0,0|3,0,0]=4 314 B13R1.6 COCCCCN1CCNC(=O)C1 2230a_100000184651_100000730899 [0,1,0,0,0,0|3,0,0]=4 315 B13R1.6 COCCCCN1CCOC(=O)C1 2230a_100000131268_100000730899 [0,1,0,0,0,0|3,0,0]=4 316 B13R1.6 COCCCNC1CCNC(=O)C1 2230a_100016994916_100000740836 [0,1,0,0,0,0|3,0,0]=4 317 B13R1.6 COCCCNC1CCNC(=O)C1 34a_100016994916_100000740836 [0,1,0,0,0,0|3,0,0]=4 318 B13R1.6 COCCCOC1C=C(CCC1)C 34a_100011218613_100000740836 [0,1,0,0,0,0|3,0,0]=4 319 B13R1.6 COCCCOC1CCCC(=O)C1 34a_100012613340_100000740836 [0,1,0,0,0,0|2,0,0]=3 320 B13R1.6 COCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000740836 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.6 COCCOCC1CCCC(=O)N1 34a_200000102386_100011201679 [0,1,0,0,0,0|2,0,0]=3 322 B13R1.6 COCCOCC1CCNC(=O)C1 34a_100009886756_100011201679 [0,1,0,0,0,0|3,0,0]=4 323 B13R1.6 COCCOCC1COCC(=O)N1 34a_200000101122_100011201679 [0,1,0,0,0,0|3,0,0]=4 324 B13R1.6 CSCCOCC1CCCC(=O)N1 34a_200000102386_100000212216 [0,1,0,0,0,0|2,0,0]=3 325 B13R1.6 CSCCOCC1CCNC(=O)C1 34a_100009886756_100000212216 [0,1,0,0,0,0|3,0,0]=4 326 B13R1.6 CSCCOCC1COCC(=O)N1 34a_200000101122_100000212216 [0,1,0,0,0,0|3,0,0]=4 327 B13R1.6 O=C1CC(CCN1)COCCCF 34a_100009886756_100011934791 [0,1,0,0,0,0|3,0,0]=4 328 B13R1.6 O=C1CC(CCN1)COCCCO 34a_100009886756_100000230001 [0,1,0,0,0,0|3,0,0]=4 329 B13R1.6 O=C1CC(CCN1)NCCCCF 2230a_100016994916_100000729493 [0,1,0,0,0,0|3,0,0]=4 330 B13R1.6 O=C1CC(CCN1)NCCCCF 34a_100016994916_100000729493 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.6 O=C1CC(CCN1)NCCCCO 2230a_100016994916_100000210776 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.6 O=C1CC(CCN1)NCCCCO 34a_100016994916_100011216708 [0,1,0,0,0,0|3,0,0]=4 333 B13R1.6 O=C1CCCC(C1)OCCCCF 34a_100012613340_100000729493 [0,1,0,0,0,0|2,0,0]=3 334 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [0,1,0,0,0,0|2,0,0]=3 335 B13R1.6 O=C1CCCC(N1)COCCCF 34a_200000102386_100011934791 [0,1,0,0,0,0|2,0,0]=3 336 B13R1.6 O=C1CCCC(N1)COCCCO 34a_200000102386_100000230001 [0,1,0,0,0,0|2,0,0]=3 337 B13R1.6 O=C1CN(CCN1)CCCCCF 2230a_100000184651_100000729378 [0,1,0,0,0,0|3,0,0]=4 338 B13R1.6 O=C1CN(CCN1)CCCCCO 2230a_100000184651_100000746330 [0,1,0,0,0,0|3,0,0]=4 339 B13R1.6 O=C1CN(CCO1)CCCCCF 2230a_100000131268_100000729378 [0,1,0,0,0,0|3,0,0]=4 340 B13R1.6 O=C1CN(CCO1)CCCCCO 2230a_100000131268_100000746330 [0,1,0,0,0,0|3,0,0]=4 341 B13R1.6 O=C1COCC(N1)COCCCF 34a_200000101122_100011934791 [0,1,0,0,0,0|3,0,0]=4 342 B13R1.6 O=C1COCC(N1)COCCCO 34a_200000101122_100000230001 [0,1,0,0,0,0|3,0,0]=4 343 B13R1.6 O=C1C[C@@H](CCN1)OCCCCF 34a_100015189427_100000729493 [0,1,0,0,0,0|3,0,0]=4 344 B13R1.6 O=C1C[C@@H](CCN1)OCCCCO 34a_100015189427_100011216708 [0,1,0,0,0,0|3,0,0]=4 345 B13R1.15 CC(CO)OCC1CCCC(=O)N1 34a_200000102386_100012180447 [0,1,0,0,0,0|3,0,0]=4 346 B13R1.15 CCC(C)CNC1CCNC(=O)C1 2230a_100016994916_100000748023 [0,1,0,0,0,0|3,0,0]=4 347 B13R1.15 CCC(C)CNC1CCNC(=O)C1 34a_100016994916_100000748023 [0,1,0,0,0,0|3,0,0]=4 348 B13R1.15 CCC(C)COC1C=C(CCC1)C 34a_100011218613_100000748023 [0,1,0,0,0,0|3,0,0]=4 349 B13R1.15 CCC(C)COC1CCCC(=O)C1 34a_100012613340_100000748023 [0,1,0,0,0,0|2,0,0]=3 350 B13R1.15 CCC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000748023 [0,1,0,0,0,0|3,0,0]=4 351 B13R1.15 CCC(C)OCC1CCCC(=O)N1 34a_200000102386_100011215416 [0,1,0,0,0,0|2,0,0]=3 352 B13R1.15 CCC(C)OCC1CCNC(=O)C1 34a_100009886756_100011215416 [0,1,0,0,0,0|3,0,0]=4 353 B13R1.15 CCC(C)OCC1COCC(=O)N1 34a_200000101122_100011215416 [0,1,0,0,0,0|3,0,0]=4 354 B13R1.15 CCC(O)CNC1CCNC(=O)C1 2230a_100016994916_100011218378 [0,1,0,0,0,0|3,0,0]=4 355 B13R1.15 CCC(O)CNC1CCNC(=O)C1 34a_100016994916_100011218378 [0,1,0,0,0,0|3,0,0]=4 356 B13R1.15 CCC(O)COC1C=C(CCC1)C 34a_100011218613_100011218378 [0,1,0,0,0,0|3,0,0]=4 357 B13R1.15 CCC(O)COC1CCCC(=O)C1 34a_100012613340_100011218378 [0,1,0,0,0,0|2,0,0]=3 358 B13R1.15 CCC(O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218378 [0,1,0,0,0,0|3,0,0]=4 359 B13R1.15 CC[C@H](C)CNC1CCNC(=O)C1 2230a_100016994916_100009816398 [0,1,0,0,0,0|3,0,0]=4 360 B13R1.15 CC[C@H](C)CNC1CCNC(=O)C1 34a_100016994916_100009816398 [0,1,0,0,0,0|3,0,0]=4 361 B13R1.15 CC[C@H](C)COC1C=C(CCC1)C 34a_100011218613_100009816398 [0,1,0,0,0,0|3,0,0]=4 362 B13R1.15 CC[C@H](C)COC1CCCC(=O)C1 34a_100012613340_100009816398 [0,1,0,0,0,0|2,0,0]=3 363 B13R1.15 CC[C@H](C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100009816398 [0,1,0,0,0,0|3,0,0]=4 364 B13R1.15 C[C@@H](CO)COC1CCCC(=O)C1 34a_100012613340_100000059175 [0,1,0,0,0,0|3,0,0]=4 365 B13R1.15 O=C1CCCC(C1)OCC(O)CO 34a_100012613340_100011219619 [0,1,0,0,0,0|3,0,0]=4 366 B13R1.15 O=C1CCCC(C1)OC[C@@H](O)CF 34a_100012613340_100015614560 [0,1,0,0,0,0|3,0,0]=4 367 B13R1.15 O=C1CCCC(C1)OC[C@@H](O)CO 34a_100012613340_100009815848 [0,1,0,0,0,0|3,0,0]=4 368 B13R1.16 CCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210326 [0,1,0,0,0,0|3,0,0]=4 369 B13R1.16 CCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210215 [0,1,0,0,0,0|3,0,0]=4 370 B13R1.16 CCCCCN1CCNC(=O)C1C 34a_100000750721_100000718602 [0,1,0,0,0,0|3,0,0]=4 371 B13R1.16 CCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210303 [0,1,0,0,0,0|2,0,0]=3 372 B13R1.16 CCCNCC1CCCC(=O)N1C 34a_200010383782_100000210303 [0,1,0,0,0,0|2,0,0]=3 373 B13R1.16 CN1C(=O)CCCC1CNCCF 2230a_200010383782_100011217306 [0,1,0,0,0,0|3,0,0]=4 374 B13R1.16 CN1C(=O)CCCC1CNCCF 34a_200010383782_100011217306 [0,1,0,0,0,0|3,0,0]=4 375 B13R1.16 CN1C(=O)CCCC1CNCCO 2230a_200010383782_100000211926 [0,1,0,0,0,0|3,0,0]=4 376 B13R1.16 CN1C(=O)CCCC1CNCCO 34a_200010383782_100000211926 [0,1,0,0,0,0|3,0,0]=4 377 B13R1.16 COCNCC1CCCC(=O)N1C 2230a_200010383782_100000766300 [0,1,0,0,0,0|3,0,0]=4 378 B13R1.16 CSCNCC1CCCC(=O)N1C 2230a_200010383782_100011218213 [0,1,0,0,0,0|3,0,0]=4 379 B13R1.16 CSCNCC1CCCC(=O)N1C 34a_200010383782_100011218213 [0,1,0,0,0,0|3,0,0]=4 380 B13R1.18 CCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210211 [0,1,0,0,0,0|2,0,1]=4 381 B13R1.18 CCCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210211 [0,1,0,0,0,0|2,0,1]=4 382 B13R1.18 CCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210211 [0,1,0,0,0,0|1,0,1]=3 383 B13R1.18 CCCCC(C)N1CCNC(=O)C1 2230a_100000184651_200011215066 [0,1,0,0,0,0|3,0,0]=4 384 B13R1.18 CCCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000210087 [0,1,0,0,0,0|3,0,0]=4 385 B13R1.18 CCCCC(C)N1CCOC(=O)C1 2230a_100000131268_200011215066 [0,1,0,0,0,0|3,0,0]=4 386 B13R1.18 CCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000210087 [0,1,0,0,0,0|3,0,0]=4 387 B13R1.18 CCCNC(=O)[C@H]1CCCC(=O)N1 240690a_100020643023_100000705292 [0,1,0,0,0,0|2,0,1]=4 388 B13R1.18 CCCNC(=O)[C@H]1CCCC(=O)N1 527a_100020643023_100000705292 [0,1,0,0,0,0|2,0,1]=4 389 B13R1.18 COCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000233755 [0,1,0,0,0,0|2,0,1]=4 390 B13R1.18 CSCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000751147 [0,1,0,0,0,0|2,0,1]=4 391 B13R1.18 O=C1CCC[C@@H](N1)C(=O)CCCF 1458a_100000705292_100011934791 [0,1,0,0,0,0|2,0,1]=4 392 B13R1.18 O=C1CCC[C@@H](N1)C(=O)CCCO 1458a_100000705292_100011215043 [0,1,0,0,0,0|2,0,1]=4 393 B13R1.20 CC(CCO)OC1CCCC(=O)C1 34a_100012613340_100009893172 [0,1,0,0,0,0|3,0,0]=4 394 B13R1.20 CCCC(C)CN1CCNC(=O)C1 2230a_100000184651_100011216630 [0,1,0,0,0,0|3,0,0]=4 395 B13R1.20 CCCC(C)CN1CCNC(=O)C1 270004a_100000184651_100000243154 [0,1,0,0,0,0|3,0,0]=4 396 B13R1.20 CCCC(C)CN1CCOC(=O)C1 2230a_100000131268_100011216630 [0,1,0,0,0,0|3,0,0]=4 397 B13R1.20 CCCC(C)CN1CCOC(=O)C1 270004a_100000131268_100000243154 [0,1,0,0,0,0|3,0,0]=4 398 B13R1.20 CCCC(C)NC1CCNC(=O)C1 2230a_100016994916_100000766640 [0,1,0,0,0,0|3,0,0]=4 399 B13R1.20 CCCC(C)NC1CCNC(=O)C1 34a_100016994916_100000766640 [0,1,0,0,0,0|3,0,0]=4 400 B13R1.20 CCCC(C)OC1C=C(CCC1)C 34a_100011218613_100000766640 [0,1,0,0,0,0|3,0,0]=4 401 B13R1.20 CCCC(C)OC1CCCC(=O)C1 34a_100012613340_100000766640 [0,1,0,0,0,0|2,0,0]=3 402 B13R1.20 CCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100000766640 [0,1,0,0,0,0|3,0,0]=4 403 B13R1.20 COCC(C)OC1CCCC(=O)C1 34a_100012613340_100000765312 [0,1,0,0,0,0|3,0,0]=4 404 B13R1.149 C=C(C)CCOC1CCCC(=O)C1 34a_100012613340_100000730704 [0,1,0,0,0,0|2,0,1]=4 405 B13R1.149 C=C(C)COCC1CCCC(=O)N1 34a_200000102386_100000748629 [0,1,0,0,0,0|2,0,1]=4 406 B13R1.149 CC(C)CCCN1CCNC(=O)C1 2230a_100000184651_100011214892 [0,1,0,0,0,0|3,0,0]=4 407 B13R1.149 CC(C)CCCN1CCOC(=O)C1 2230a_100000131268_100011214892 [0,1,0,0,0,0|3,0,0]=4 408 B13R1.149 CC(C)CCNC1CCNC(=O)C1 2230a_100016994916_100000210312 [0,1,0,0,0,0|3,0,0]=4 409 B13R1.149 CC(C)CCNC1CCNC(=O)C1 269862a_100016994916_100000185833 [0,1,0,0,0,0|3,0,0]=4 410 B13R1.149 CC(C)CCNC1CCNC(=O)C1 34a_100016994916_100000210312 [0,1,0,0,0,0|3,0,0]=4 411 B13R1.149 CC(C)CCOC1CCCC(=O)C1 34a_100012613340_100000210312 [0,1,0,0,0,0|2,0,0]=3 412 B13R1.149 CC(C)CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210312 [0,1,0,0,0,0|3,0,0]=4 413 B13R1.149 CC(C)COCC1CCCC(=O)N1 34a_200000102386_100000210624 [0,1,0,0,0,0|2,0,0]=3 414 B13R1.149 CC(C)COCC1CCNC(=O)C1 34a_100009886756_100000210624 [0,1,0,0,0,0|3,0,0]=4 415 B13R1.149 CC(C)COCC1COCC(=O)N1 34a_200000101122_100000210624 [0,1,0,0,0,0|3,0,0]=4 416 B13R1.149 CC(C)OCOC1CCCC(=O)C1 34a_100012613340_100000709892 [0,1,0,0,0,0|3,0,0]=4 417 B13R1.149 CC(O)CCCN1CCNC(=O)C1 2230a_100000184651_200000718107 [0,1,0,0,0,0|3,0,0]=4 418 B13R1.149 CC(O)CCCN1CCOC(=O)C1 2230a_100000131268_200000718107 [0,1,0,0,0,0|3,0,0]=4 419 B13R1.149 CC(O)CCNC1CCNC(=O)C1 2230a_100016994916_100012276601 [0,1,0,0,0,0|3,0,0]=4 420 B13R1.149 CC(O)CCNC1CCNC(=O)C1 34a_100016994916_100012276601 [0,1,0,0,0,0|3,0,0]=4 421 B13R1.149 CC(O)CCOC1CCCC(=O)C1 34a_100012613340_100012276601 [0,1,0,0,0,0|2,0,0]=3 422 B13R1.149 CC(O)CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012276601 [0,1,0,0,0,0|3,0,0]=4 423 B13R1.149 CC(O)COCC1CCCC(=O)N1 34a_200000102386_100011218427 [0,1,0,0,0,0|2,0,0]=3 424 B13R1.149 CC(O)COCC1CCNC(=O)C1 34a_100009886756_100011218427 [0,1,0,0,0,0|3,0,0]=4 425 B13R1.149 CC(O)COCC1COCC(=O)N1 34a_200000101122_100011218427 [0,1,0,0,0,0|3,0,0]=4 426 B13R1.149 CC1=CC(CCC1)OCCC(C)C 34a_100011218613_100000210312 [0,1,0,0,0,0|3,0,0]=4 427 B13R1.149 CC1=CC(CCC1)OCCC(C)O 34a_100011218613_100012276601 [0,1,0,0,0,0|3,0,0]=4 428 B13R1.149 C[C@@H](O)COCC1CCCC(=O)N1 34a_200000102386_100009817552 [0,1,0,0,0,0|2,0,0]=3 429 B13R1.149 C[C@@H](O)COCC1CCNC(=O)C1 34a_100009886756_100009817552 [0,1,0,0,0,0|3,0,0]=4 430 B13R1.149 C[C@@H](O)COCC1COCC(=O)N1 34a_200000101122_100009817552 [0,1,0,0,0,0|3,0,0]=4 431 B13R1.149 O=C1CCCC(N1)COCC(F)F 34a_200000102386_100011934356 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.669 CCCCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210326 [0,1,0,0,0,0|3,0,0]=4 433 B13R1.669 CCCCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210215 [0,1,0,0,0,0|3,0,0]=4 434 B13R1.669 CCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210211 [0,1,0,0,0,0|3,0,0]=4 435 B13R1.669 CCCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210210 [0,1,0,0,0,0|3,0,0]=4 436 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,0,1,0,0,0|1,0,2]=4 437 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,0,1,0,0,0|1,0,2]=4 438 B11R0.4 C#CCC(=O)NCCCCCC 1626a_100000210581_100011220946 [0,0,1,0,0,0|1,0,2]=4 439 B11R0.4 C#CCC(=O)NCCCCCC 527a_100000210581_100011220946 [0,0,1,0,0,0|1,0,2]=4 440 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,0,1,0,0,0|1,0,2]=4 441 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,0,1,0,0,0|1,0,2]=4 442 B11R0.4 C#CCCCCNC(=O)CCC 11a_100000706060_100000211992 [0,0,1,0,0,0|1,0,2]=4 443 B11R0.4 C#CCCCCNC(=O)CCC 1626a_100000706060_100000211992 [0,0,1,0,0,0|1,0,2]=4 444 B11R0.4 C#CCCCCNC(=O)CCC 240690a_100000706060_100000211992 [0,0,1,0,0,0|1,0,2]=4 445 B11R0.4 C#CCCCCNC(=O)CCC 527a_100000706060_100000211992 [0,0,1,0,0,0|1,0,2]=4 446 B11R0.4 C#CCCNCOC(=O)CCC 34a_100000755551_100000034017 [0,0,1,0,0,0|1,0,2]=4 447 B11R0.4 C#CCCOCOC(=O)CCC 34a_100011215631_100000034017 [0,0,1,0,0,0|1,0,2]=4 448 B11R0.4 C#CCCSCOC(=O)CCC 62a_100000688953_100000034017 [0,0,1,0,0,0|1,0,2]=4 449 B11R0.4 C/C=C/COCOC(=O)CCC 34a_100016270725_100000034017 [0,0,1,0,0,0|1,0,2]=4 450 B11R0.4 C/C=C/CSCOC(=O)CCC 62a_100102629194_100000034017 [0,0,1,0,0,0|1,0,2]=4 451 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,0,1,0,0,0|1,0,2]=4 452 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,0,1,0,0,0|1,0,2]=4 453 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,0,1,0,0,0|1,0,2]=4 454 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,0,1,0,0,0|1,0,2]=4 455 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,0,1,0,0,0|1,0,2]=4 456 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,0,1,0,0,0|1,0,2]=4 457 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,0,1,0,0,0|1,0,2]=4 458 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,0,1,0,0,0|1,0,2]=4 459 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,0,1,0,0,0|1,0,2]=4 460 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,0,1,0,0,0|1,0,2]=4 461 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,0,1,0,0,0|1,0,2]=4 462 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,0,1,0,0,0|1,0,2]=4 463 B11R0.4 C=CCCNCOC(=O)CCC 2230a_100015191253_100000034017 [0,0,1,0,0,0|1,0,2]=4 464 B11R0.4 C=CCCOCOC(=O)CCC 34a_100011205117_100000034017 [0,0,1,0,0,0|1,0,2]=4 465 B11R0.4 C=CCCSCOC(=O)CCC 62a_100000754431_100000034017 [0,0,1,0,0,0|1,0,2]=4 466 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,0,1,0,0,0|1,0,2]=4 467 B11R0.4 CC#CCNCOC(=O)CCC 2230a_100000685387_100000034017 [0,0,1,0,0,0|1,0,2]=4 468 B11R0.4 CC#CCNCOC(=O)CCC 34a_100000685387_100000034017 [0,0,1,0,0,0|1,0,2]=4 469 B11R0.4 CC#CCOCOC(=O)CCC 34a_100000761923_100000034017 [0,0,1,0,0,0|1,0,2]=4 470 B11R0.4 CC#CCSCOC(=O)CCC 62a_100000748600_100000034017 [0,0,1,0,0,0|1,0,2]=4 471 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,0,1,0,0,0|1,0,2]=4 472 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,0,1,0,0,0|1,0,2]=4 473 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,0,1,0,0,0|1,0,2]=4 474 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,0,1,0,0,0|1,0,2]=4 475 B11R0.4 CC=CCSCOC(=O)CCC 62a_100000070051_100000034017 [0,0,1,0,0,0|1,0,2]=4 476 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,0,1,0,0,0|2,0,1]=4 477 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,0,1,0,0,0|2,0,0]=3 478 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,0,1,0,0,0|2,0,0]=3 479 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,0,1,0,0,0|2,0,0]=3 480 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,0,1,0,0,0|2,0,0]=3 481 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,0,1,0,0,0|3,0,0]=4 482 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,0,1,0,0,0|3,0,0]=4 483 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,0,1,0,0,0|3,0,0]=4 484 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [0,0,1,0,0,0|3,0,0]=4 485 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,0,1,0,0,0|3,0,0]=4 486 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,0,1,0,0,0|3,0,0]=4 487 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,0,1,0,0,0|3,0,0]=4 488 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,0,1,0,0,0|3,0,0]=4 489 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [0,0,1,0,0,0|3,0,0]=4 490 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,0,1,0,0,0|3,0,0]=4 491 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,0,1,0,0,0|3,0,0]=4 492 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,0,1,0,0,0|3,0,0]=4 493 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,0,1,0,0,0|3,0,0]=4 494 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,0,1,0,0,0|3,0,0]=4 495 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,0,1,0,0,0|3,0,0]=4 496 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,0,1,0,0,0|3,0,0]=4 497 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,0,1,0,0,0|3,0,0]=4 498 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,0,1,0,0,0|3,0,0]=4 499 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,0,1,0,0,0|3,0,0]=4 500 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,0,1,0,0,0|3,0,0]=4 501 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,0,1,0,0,0|3,0,0]=4 502 B11R0.4 CCCC(=O)NCCCCC#N 11a_100000751965_100000211992 [0,0,1,0,0,0|2,0,1]=4 503 B11R0.4 CCCC(=O)NCCCCC#N 1626a_100000751965_100000211992 [0,0,1,0,0,0|2,0,1]=4 504 B11R0.4 CCCC(=O)NCCCCC#N 240690a_100000751965_100000211992 [0,0,1,0,0,0|2,0,1]=4 505 B11R0.4 CCCC(=O)NCCCCC#N 527a_100000751965_100000211992 [0,0,1,0,0,0|2,0,1]=4 506 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,0,1,0,0,0|2,0,0]=3 507 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,0,1,0,0,0|2,0,0]=3 508 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,0,1,0,0,0|2,0,0]=3 509 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,0,1,0,0,0|2,0,0]=3 510 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,0,1,0,0,0|2,0,0]=3 511 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,0,1,0,0,0|3,0,0]=4 512 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,0,1,0,0,0|3,0,0]=4 513 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,0,1,0,0,0|3,0,0]=4 514 B11R0.4 CCCC(=O)NNCCCOC 22a_100025702787_100000211992 [0,0,1,0,0,0|3,0,0]=4 515 B11R0.4 CCCC(=O)NNCCOCC 22a_100000732670_100000211992 [0,0,1,0,0,0|3,0,0]=4 516 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [0,0,1,0,0,0|2,0,0]=3 517 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [0,0,1,0,0,0|2,0,0]=3 518 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [0,0,1,0,0,0|2,0,0]=3 519 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [0,0,1,0,0,0|2,0,0]=3 520 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [0,0,1,0,0,0|2,0,0]=3 521 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [0,0,1,0,0,0|2,0,0]=3 522 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [0,0,1,0,0,0|2,0,0]=3 523 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [0,0,1,0,0,0|2,0,0]=3 524 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [0,0,1,0,0,0|2,0,0]=3 525 B11R0.4 CCCC(=O)OCOCCON 34a_100000700252_100000034017 [0,0,1,0,0,0|3,0,0]=4 526 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [0,0,1,0,0,0|2,0,0]=3 527 B11R0.4 CCCC(=O)OCSCCC#N 62a_100011215226_100000034017 [0,0,1,0,0,0|2,0,1]=4 528 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [0,0,1,0,0,0|2,0,0]=3 529 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,0,1,0,0,0|2,0,0]=3 530 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [0,0,1,0,0,0|2,0,0]=3 531 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [0,0,1,0,0,0|2,0,0]=3 532 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [0,0,1,0,0,0|2,0,0]=3 533 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [0,0,1,0,0,0|2,0,1]=4 534 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [0,0,1,0,0,0|2,0,1]=4 535 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [0,0,1,0,0,0|2,0,1]=4 536 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [0,0,1,0,0,0|2,0,1]=4 537 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [0,0,1,0,0,0|2,0,1]=4 538 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [0,0,1,0,0,0|2,0,1]=4 539 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [0,0,1,0,0,0|2,0,1]=4 540 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [0,0,1,0,0,0|2,0,1]=4 541 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [0,0,1,0,0,0|2,0,1]=4 542 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,0,1,0,0,0|2,0,1]=4 543 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,0,1,0,0,0|2,0,1]=4 544 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [0,0,1,0,0,0|2,0,1]=4 545 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [0,0,1,0,0,0|2,0,1]=4 546 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [0,0,1,0,0,0|2,0,1]=4 547 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [0,0,1,0,0,0|2,0,1]=4 548 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [0,0,1,0,0,0|2,0,1]=4 549 B11R0.4 CCCC(C)OCCCOCC 34a_100000757476_100000766640 [0,0,1,0,0,0|2,0,1]=4 550 B11R0.4 CCCC(C)OCCCOCC 34a_100000764384_100012232248 [0,0,1,0,0,0|2,0,1]=4 551 B11R0.4 CCCC(C)OCCCOCC 7a_100000757476_100000766640 [0,0,1,0,0,0|2,0,1]=4 552 B11R0.4 CCCC(C)OCCCOCC 7a_100000764384_100012232248 [0,0,1,0,0,0|2,0,1]=4 553 B11R0.4 CCCC(C)OCCCSCC 34a_100011216438_100000766640 [0,0,1,0,0,0|2,0,1]=4 554 B11R0.4 CCCC(C)OCCCSCC 7a_100011216438_100000766640 [0,0,1,0,0,0|2,0,1]=4 555 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,0,1,0,0,0|1,0,2]=4 556 B11R0.4 CCCCC=NNC(=O)CCC 4a_100000189770_100000210104 [0,0,1,0,0,0|2,0,1]=4 557 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,0,1,0,0,0|1,0,1]=3 558 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,0,1,0,0,0|2,0,1]=4 559 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,0,1,0,0,0|2,0,1]=4 560 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,0,1,0,0,0|2,0,1]=4 561 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,0,1,0,0,0|1,0,1]=3 562 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,0,1,0,0,0|2,0,1]=4 563 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,0,1,0,0,0|2,0,1]=4 564 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,0,1,0,0,0|2,0,1]=4 565 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,0,1,0,0,0|2,0,1]=4 566 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,0,1,0,0,0|2,0,1]=4 567 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,0,1,0,0,0|2,0,1]=4 568 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,0,1,0,0,0|1,0,0]=2 569 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,0,1,0,0,0|1,0,0]=2 570 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,0,1,0,0,0|2,0,0]=3 571 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,0,1,0,0,0|2,0,0]=3 572 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,0,1,0,0,0|2,0,0]=3 573 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,0,1,0,0,0|2,0,0]=3 574 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,0,1,0,0,0|2,0,0]=3 575 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,0,1,0,0,0|2,0,0]=3 576 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,0,1,0,0,0|2,0,0]=3 577 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,0,1,0,0,0|2,0,0]=3 578 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,0,1,0,0,0|3,0,0]=4 579 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,0,1,0,0,0|3,0,0]=4 580 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,0,1,0,0,0|3,0,0]=4 581 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,0,1,0,0,0|3,0,0]=4 582 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,0,1,0,0,0|3,0,0]=4 583 B11R0.4 CCCCCCNC(=O)CC#N 1626a_100000210581_100051588842 [0,0,1,0,0,0|2,0,1]=4 584 B11R0.4 CCCCCCNC(=O)CC#N 240690a_100000210581_100051588842 [0,0,1,0,0,0|2,0,1]=4 585 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,0,1,0,0,0|1,0,0]=2 586 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,0,1,0,0,0|1,0,0]=2 587 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,0,1,0,0,0|1,0,0]=2 588 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,0,1,0,0,0|1,0,0]=2 589 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,0,1,0,0,0|2,0,0]=3 590 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,0,1,0,0,0|2,0,0]=3 591 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,0,1,0,0,0|2,0,0]=3 592 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,0,1,0,0,0|2,0,0]=3 593 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,0,1,0,0,0|2,0,0]=3 594 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,0,1,0,0,0|2,0,0]=3 595 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,0,1,0,0,0|2,0,0]=3 596 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,0,1,0,0,0|2,0,0]=3 597 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,0,1,0,0,0|2,0,0]=3 598 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,0,1,0,0,0|2,0,0]=3 599 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,0,1,0,0,0|2,0,0]=3 600 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,0,1,0,0,0|2,0,0]=3 601 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,0,1,0,0,0|2,0,0]=3 602 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,0,1,0,0,0|2,0,0]=3 603 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,0,1,0,0,0|2,0,0]=3 604 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,0,1,0,0,0|2,0,0]=3 605 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,0,1,0,0,0|2,0,0]=3 606 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,0,1,0,0,0|2,0,0]=3 607 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,0,1,0,0,0|2,0,0]=3 608 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,0,1,0,0,0|2,0,0]=3 609 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,0,1,0,0,0|2,0,0]=3 610 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,0,1,0,0,0|3,0,0]=4 611 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,0,1,0,0,0|3,0,0]=4 612 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,0,1,0,0,0|3,0,0]=4 613 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,0,1,0,0,0|2,0,1]=4 614 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,0,1,0,0,0|2,0,1]=4 615 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,0,1,0,0,0|2,0,1]=4 616 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,0,1,0,0,0|2,0,1]=4 617 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,0,1,0,0,0|1,0,1]=3 618 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,0,1,0,0,0|1,0,1]=3 619 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,0,1,0,0,0|1,0,1]=3 620 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,0,1,0,0,0|1,0,1]=3 621 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,0,1,0,0,0|2,0,1]=4 622 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,0,1,0,0,0|2,0,1]=4 623 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,0,1,0,0,0|2,0,1]=4 624 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,0,1,0,0,0|2,0,1]=4 625 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,0,1,0,0,0|2,0,1]=4 626 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,0,1,0,0,0|1,1,1]=4 627 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,0,1,0,0,0|1,1,1]=4 628 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,0,1,0,0,0|2,0,0]=3 629 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,0,1,0,0,0|3,0,0]=4 630 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,0,1,0,0,0|3,0,0]=4 631 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,0,1,0,0,0|3,0,0]=4 632 B11R0.4 CCCCCNN=C(C)CCC 4a_100000694160_100000211909 [0,0,1,0,0,0|3,0,0]=4 633 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,0,1,0,0,0|2,0,0]=3 634 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,0,1,0,0,0|3,0,0]=4 635 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,0,1,0,0,0|3,0,0]=4 636 B11R0.4 CCCCCNNC(=O)CSC 22a_100000694160_100000184570 [0,0,1,0,0,0|3,0,0]=4 637 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,0,1,0,0,0|3,0,0]=4 638 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,0,1,0,0,0|3,0,0]=4 639 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,0,1,0,0,0|3,0,0]=4 640 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,0,1,0,0,0|2,0,0]=3 641 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,0,1,0,0,0|3,0,0]=4 642 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,0,1,0,0,0|3,0,0]=4 643 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,0,1,0,0,0|3,0,0]=4 644 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,0,1,0,0,0|3,0,0]=4 645 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,0,1,0,0,0|2,0,0]=3 646 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,0,1,0,0,0|2,0,0]=3 647 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,0,1,0,0,0|3,0,0]=4 648 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,0,1,0,0,0|3,0,0]=4 649 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,0,1,0,0,0|3,0,0]=4 650 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,0,1,0,0,0|3,0,0]=4 651 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,0,1,0,0,0|3,0,0]=4 652 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,0,1,0,0,0|3,0,0]=4 653 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,0,1,0,0,0|3,0,0]=4 654 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,0,1,0,0,0|3,0,0]=4 655 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,0,1,0,0,0|3,0,0]=4 656 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,0,1,0,0,0|1,0,0]=2 657 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,0,1,0,0,0|2,0,0]=3 658 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,0,1,0,0,0|3,0,0]=4 659 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,0,1,0,0,0|3,0,0]=4 660 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,0,1,0,0,0|3,0,0]=4 661 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,0,1,0,0,0|3,0,0]=4 662 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,0,1,0,0,0|3,0,0]=4 663 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,0,1,0,0,0|3,0,0]=4 664 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,0,1,0,0,0|1,0,0]=2 665 B11R0.4 CCCCOCOC(C)CCC 34a_100000764384_100011995733 [0,0,1,0,0,0|2,0,1]=4 666 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,0,1,0,0,0|3,0,0]=4 667 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,0,1,0,0,0|3,0,0]=4 668 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,0,1,0,0,0|3,0,0]=4 669 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,0,1,0,0,0|3,0,0]=4 670 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,0,1,0,0,0|1,0,0]=2 671 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,0,1,0,0,0|2,0,0]=3 672 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,0,1,0,0,0|3,0,0]=4 673 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,0,1,0,0,0|3,0,0]=4 674 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,0,1,0,0,0|2,0,0]=3 675 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,0,1,0,0,0|2,0,0]=3 676 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,0,1,0,0,0|2,0,0]=3 677 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,0,1,0,0,0|3,0,0]=4 678 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,0,1,0,0,0|3,0,0]=4 679 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,0,1,0,0,0|3,0,0]=4 680 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,0,1,0,0,0|3,0,0]=4 681 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,0,1,0,0,0|3,0,0]=4 682 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,0,1,0,0,0|3,0,0]=4 683 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,0,1,0,0,0|3,0,0]=4 684 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,0,1,0,0,0|3,0,0]=4 685 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,0,1,0,0,0|3,0,0]=4 686 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,0,1,0,0,0|3,0,0]=4 687 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,0,1,0,0,0|3,0,0]=4 688 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,0,1,0,0,0|3,0,0]=4 689 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,0,1,0,0,0|3,0,0]=4 690 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,0,1,0,0,0|3,0,0]=4 691 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [0,0,1,0,0,0|2,0,1]=4 692 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [0,0,1,0,0,0|2,0,1]=4 693 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [0,0,1,0,0,0|2,0,1]=4 694 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [0,0,1,0,0,0|2,0,1]=4 695 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,0,1,0,0,0|3,0,0]=4 696 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,0,1,0,0,0|3,0,0]=4 697 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,0,1,0,0,0|2,0,0]=3 698 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,0,1,0,0,0|2,0,0]=3 699 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,0,1,0,0,0|2,0,0]=3 700 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,0,1,0,0,0|3,0,0]=4 701 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,0,1,0,0,0|3,0,0]=4 702 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,0,1,0,0,0|3,0,0]=4 703 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,0,1,0,0,0|3,0,0]=4 704 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,0,1,0,0,0|3,0,0]=4 705 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,0,1,0,0,0|3,0,0]=4 706 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,0,1,0,0,0|3,0,0]=4 707 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,0,1,0,0,0|3,0,0]=4 708 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,0,1,0,0,0|3,0,0]=4 709 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,0,1,0,0,0|3,0,0]=4 710 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,0,1,0,0,0|3,0,0]=4 711 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,0,1,0,0,0|3,0,0]=4 712 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,0,1,0,0,0|3,0,0]=4 713 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,0,1,0,0,0|3,0,0]=4 714 B11R0.4 CCCSCCOC(C)CCC 34a_200000230433_100000766640 [0,0,1,0,0,0|2,0,1]=4 715 B11R0.4 CCCSCCOC(C)CCC 7a_200000230433_100000766640 [0,0,1,0,0,0|2,0,1]=4 716 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,0,1,0,0,0|3,0,0]=4 717 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,0,1,0,0,0|3,0,0]=4 718 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,0,1,0,0,0|3,0,0]=4 719 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,0,1,0,0,0|3,0,0]=4 720 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,0,1,0,0,0|3,0,0]=4 721 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,0,1,0,0,0|3,0,0]=4 722 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,0,1,0,0,0|3,0,0]=4 723 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,0,1,0,0,0|3,0,0]=4 724 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,0,1,0,0,0|3,0,0]=4 725 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,0,1,0,0,0|3,0,0]=4 726 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,0,1,0,0,0|3,0,0]=4 727 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,0,1,0,0,0|3,0,0]=4 728 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,0,1,0,0,0|3,0,0]=4 729 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,0,1,0,0,0|3,0,0]=4 730 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,0,1,0,0,0|3,0,0]=4 731 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,0,1,0,0,0|3,0,0]=4 732 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,0,1,0,0,0|3,0,0]=4 733 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,0,1,0,0,0|3,0,0]=4 734 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,0,1,0,0,0|3,0,0]=4 735 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,0,1,0,0,0|3,0,0]=4 736 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,0,1,0,0,0|3,0,0]=4 737 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,0,1,0,0,0|3,0,0]=4 738 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,0,1,0,0,0|3,0,0]=4 739 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,0,1,0,0,0|3,0,0]=4 740 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,0,1,0,0,0|3,0,0]=4 741 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,0,1,0,0,0|3,0,0]=4 742 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,0,1,0,0,0|3,0,0]=4 743 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,0,1,0,0,0|3,0,0]=4 744 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,0,1,0,0,0|3,0,0]=4 745 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,0,1,0,0,0|3,0,0]=4 746 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,0,1,0,0,0|3,0,0]=4 747 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,0,1,0,0,0|3,0,0]=4 748 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,0,1,0,0,0|3,0,0]=4 749 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,0,1,0,0,0|3,0,0]=4 750 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,0,1,0,0,0|3,0,0]=4 751 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,0,1,0,0,0|3,0,0]=4 752 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,0,1,0,0,0|3,0,0]=4 753 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,0,1,0,0,0|3,0,0]=4 754 B11R0.4 CCOCCCNC(=O)CSC 11a_100000210961_100000184570 [0,0,1,0,0,0|3,0,0]=4 755 B11R0.4 CCOCCCNC(=O)CSC 1626a_100000210961_100000184570 [0,0,1,0,0,0|3,0,0]=4 756 B11R0.4 CCOCCCNC(=O)CSC 240690a_100000210961_100000184570 [0,0,1,0,0,0|3,0,0]=4 757 B11R0.4 CCOCCCNC(=O)CSC 527a_100000210961_100000184570 [0,0,1,0,0,0|3,0,0]=4 758 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,0,1,0,0,0|3,0,0]=4 759 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,0,1,0,0,0|3,0,0]=4 760 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,0,1,0,0,0|3,0,0]=4 761 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,0,1,0,0,0|3,0,0]=4 762 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,0,1,0,0,0|3,0,0]=4 763 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,0,1,0,0,0|3,0,0]=4 764 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,0,1,0,0,0|3,0,0]=4 765 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,0,1,0,0,0|3,0,0]=4 766 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,0,1,0,0,0|3,0,0]=4 767 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,0,1,0,0,0|3,0,0]=4 768 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,0,1,0,0,0|3,0,0]=4 769 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,0,1,0,0,0|3,0,0]=4 770 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,0,1,0,0,0|3,0,0]=4 771 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,0,1,0,0,0|3,0,0]=4 772 B11R0.77 C=C(C)CN(CC)CCCCC 2230a_100000211296_100000210326 [0,0,1,0,0,0|3,0,0]=4 773 B11R0.77 C=C(C)CN(CC)CCCCC 269982a_100000211296_100000210215 [0,0,1,0,0,0|3,0,0]=4 774 B11R0.77 CCCCCC(CC)OC(C)C 34a_100011215405_100000210206 [0,0,1,0,0,0|1,0,1]=3 775 B11R0.77 CCCCCC(CC)OC(C)C 7a_100011215405_100000210206 [0,0,1,0,0,0|1,0,1]=3 776 B11R0.77 CCCCCN(CC)CC(=O)O 269956a_100000746405_100000210326 [0,0,1,0,0,0|3,0,0]=4 777 B11R0.77 CCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210211 [0,0,1,0,0,0|3,0,0]=4 778 B11R0.80 C/C=C/C(CCC)OCCCC 34a_200016264281_100000210210 [0,0,1,0,0,0|3,0,0]=4 779 B11R0.80 C/C=C/C(CCC)OCCCC 7a_200016264281_100000210211 [0,0,1,0,0,0|3,0,0]=4 780 B11R0.80 C=CCC(CCC)OCCCC 34a_100011215139_100000210210 [0,0,1,0,0,0|3,0,0]=4 781 B11R0.80 C=CCC(CCC)OCCCC 7a_100011215139_100000210211 [0,0,1,0,0,0|3,0,0]=4 782 B11R0.80 C=CCC(CCCCC)OCC 34a_200011216309_100000210202 [0,0,1,0,0,0|3,0,0]=4 783 B11R0.80 C=CCC(CCCCC)OCC 7a_200011216309_100000210202 [0,0,1,0,0,0|3,0,0]=4 784 B11R0.80 C=CCN(CCC)CCCCC 2230a_200000226819_100000210623 [0,0,1,0,0,0|3,0,0]=4 785 B11R0.80 C=CCN(CCC)CCCCC 269982a_200000226819_100000210623 [0,0,1,0,0,0|3,0,0]=4 786 B11R0.80 CCCCCC(CCC)COC 34a_100011290854_200000210301 [0,0,1,0,0,0|3,0,0]=4 787 B11R0.80 CCCCCC(CCC)COC 7a_100011290854_200000210301 [0,0,1,0,0,0|3,0,0]=4 788 B11R0.80 CCCCCC(CCC)CO[13CH3] 34a_100011290854_200025704644 [0,0,1,0,0,0|3,0,0]=4 789 B11R0.80 CCCCCC(CCC)CO[13CH3] 7a_100011290854_200025704644 [0,0,1,0,0,0|3,0,0]=4 790 B11R0.80 CCCCCC(CCC)NCC 270004a_100015525214_200011216343 [0,0,1,0,0,0|2,0,1]=4 791 B11R0.80 CCCCCC(CCC)OCC 34a_200011215058_100000210202 [0,0,1,0,0,0|1,0,1]=3 792 B11R0.80 CCCCCC(CCC)OCC 7a_200011215058_100000210202 [0,0,1,0,0,0|1,0,1]=3 793 B11R0.80 CCCCCC(CCC)OCF 34a_200011215058_100015361967 [0,0,1,0,0,0|1,0,1]=3 794 B11R0.80 CCCCCC(CCC)OCF 7a_200011215058_100015361967 [0,0,1,0,0,0|1,0,1]=3 795 B11R0.80 CCCCCN(CC=O)CCC 2230a_200000226819_200015260668 [0,0,1,0,0,0|2,0,0]=3 796 B11R0.80 CCCCCN(CC=O)CCC 269982a_200000226819_200015260668 [0,0,1,0,0,0|2,0,0]=3 797 B11R0.80 CCCCCN(CC=O)CCO 2230a_100000224656_200015260668 [0,0,1,0,0,0|3,0,0]=4 798 B11R0.80 CCCCCN(CC=O)CCO 269982a_100000224656_200015260668 [0,0,1,0,0,0|3,0,0]=4 799 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,0,1,0,0,0|1,0,2]=4 800 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,0,1,0,0,0|1,0,2]=4 801 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [0,0,1,0,0,0|3,0,0]=4 802 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [0,0,1,0,0,0|3,0,0]=4 803 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [0,0,1,0,0,0|3,0,0]=4 804 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [0,0,1,0,0,0|3,0,0]=4 805 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [0,0,1,0,0,0|3,0,0]=4 806 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [0,0,1,0,0,0|3,0,0]=4 807 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [0,0,1,0,0,0|3,0,0]=4 808 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [0,0,1,0,0,0|3,0,0]=4 809 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [0,0,1,0,0,0|3,0,0]=4 810 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [0,0,1,0,0,0|3,0,0]=4 811 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [0,0,1,0,0,0|1,0,2]=4 812 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [0,0,1,0,0,0|1,0,2]=4 813 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [0,0,1,0,0,0|2,0,0]=3 814 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [0,0,1,0,0,0|2,0,0]=3 815 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [0,0,1,0,0,0|3,0,0]=4 816 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [0,0,1,0,0,0|3,0,0]=4 817 B11R0.140 COCCCN(C)CCCC=O 2230a_100000224831_200011292268 [0,0,1,0,0,0|3,0,0]=4 818 B11R0.140 COCCCN(C)CCCC=O 269982a_100000224831_200011292268 [0,0,1,0,0,0|3,0,0]=4 819 B11R0.140 NCCCC[C@H](N)COCC=O 34a_100016993712_200009817547 [0,0,1,0,0,0|3,0,0]=4 820 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,0,1,0,0,0|1,0,2]=4 821 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,0,1,0,0,0|1,0,2]=4 822 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,0,1,0,0,0|1,0,2]=4 823 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,0,1,0,0,0|1,0,2]=4 824 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,0,1,0,0,0|3,0,0]=4 825 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,0,1,0,0,0|3,0,0]=4 826 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,0,1,0,0,0|3,0,0]=4 827 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,0,1,0,0,0|3,0,0]=4 828 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,0,1,0,0,0|3,0,0]=4 829 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,0,1,0,0,0|3,0,0]=4 830 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,0,1,0,0,0|3,0,0]=4 831 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,0,1,0,0,0|3,0,0]=4 832 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,0,1,0,0,0|3,0,0]=4 833 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,0,1,0,0,0|3,0,0]=4 834 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,0,1,0,0,0|3,0,0]=4 835 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,0,1,0,0,0|3,0,0]=4 836 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,0,1,0,0,0|3,0,0]=4 837 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,0,1,0,0,0|3,0,0]=4 838 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,0,1,0,0,0|3,0,0]=4 839 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,0,1,0,0,0|3,0,0]=4 840 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,0,1,0,0,0|3,0,0]=4 841 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,0,1,0,0,0|3,0,0]=4 842 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,0,1,0,0,0|3,0,0]=4 843 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,0,1,0,0,0|1,0,2]=4 844 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,0,1,0,0,0|1,0,2]=4 845 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,0,1,0,0,0|1,0,2]=4 846 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,0,1,0,0,0|1,0,2]=4 847 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,0,1,0,0,0|2,0,0]=3 848 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,0,1,0,0,0|3,0,0]=4 849 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,0,1,0,0,0|3,0,0]=4 850 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,0,1,0,0,0|3,0,0]=4 851 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,0,1,0,0,0|3,0,0]=4 852 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,0,1,0,0,0|3,0,0]=4 853 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,0,1,0,0,0|3,0,0]=4 854 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,0,1,0,0,0|3,0,0]=4 855 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,0,1,0,0,0|3,0,0]=4 856 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,0,1,0,0,0|3,0,0]=4 857 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,0,1,0,0,0|3,0,0]=4 858 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,0,1,0,0,0|3,0,0]=4 859 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,0,1,0,0,0|3,0,0]=4 860 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,0,1,0,0,0|3,0,0]=4 861 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,0,1,0,0,0|3,0,0]=4 862 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,0,1,0,0,0|3,0,0]=4 863 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,0,1,0,0,0|3,0,0]=4 864 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,0,1,0,0,0|3,0,0]=4 865 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,0,1,0,0,0|3,0,0]=4 866 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,0,1,0,0,0|3,0,0]=4 867 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,0,1,0,0,0|3,0,0]=4 868 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,0,1,0,0,0|3,0,0]=4 869 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,0,1,0,0,0|3,0,0]=4 870 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,0,1,0,0,0|3,0,0]=4 871 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,0,1,0,0,0|3,0,0]=4 872 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,0,1,0,0,0|3,0,0]=4 873 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,0,1,0,0,0|3,0,0]=4 874 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,0,1,0,0,0|3,0,0]=4 875 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,0,1,0,0,0|3,0,0]=4 876 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,0,1,0,0,0|3,0,0]=4 877 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,0,1,0,0,0|3,0,0]=4 878 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,0,1,0,0,0|3,0,0]=4 879 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,0,1,0,0,0|3,0,0]=4 880 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,0,1,0,0,0|3,0,0]=4 881 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,0,1,0,0,0|3,0,0]=4 882 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,0,1,0,0,0|3,0,0]=4 883 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,0,1,0,0,0|3,0,0]=4 884 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,0,1,0,0,0|3,0,0]=4 885 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,0,1,0,0,0|3,0,0]=4 886 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,0,1,0,0,0|3,0,0]=4 887 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,0,1,0,0,0|3,0,0]=4 888 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,0,1,0,0,0|3,0,0]=4 889 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,0,1,0,0,0|1,0,2]=4 890 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,0,1,0,0,0|1,0,2]=4 891 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,0,1,0,0,0|1,0,2]=4 892 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,0,1,0,0,0|1,0,2]=4 893 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,0,1,0,0,0|1,0,2]=4 894 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,0,1,0,0,0|1,0,2]=4 895 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,0,1,0,0,0|1,0,2]=4 896 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,0,1,0,0,0|1,0,0]=2 897 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,0,1,0,0,0|1,0,0]=2 898 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,0,1,0,0,0|1,0,0]=2 899 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,0,1,0,0,0|3,0,0]=4 900 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,0,1,0,0,0|3,0,0]=4 901 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,0,1,0,0,0|3,0,0]=4 902 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,0,1,0,0,0|3,0,0]=4 903 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,0,1,0,0,0|3,0,0]=4 904 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,0,1,0,0,0|3,0,0]=4 905 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,0,1,0,0,0|2,0,0]=3 906 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,0,1,0,0,0|2,0,0]=3 907 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,0,1,0,0,0|2,0,0]=3 908 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,0,1,0,0,0|2,0,0]=3 909 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,0,1,0,0,0|2,0,0]=3 910 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,0,1,0,0,0|2,0,0]=3 911 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,0,1,0,0,0|1,0,0]=2 912 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,0,1,0,0,0|2,0,1]=4 913 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,0,1,0,0,0|2,0,1]=4 914 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,0,1,0,0,0|2,0,1]=4 915 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,0,1,0,0,0|2,0,1]=4 916 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,0,1,0,0,0|2,0,0]=3 917 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,0,1,0,0,0|2,0,0]=3 918 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,0,1,0,0,0|2,0,0]=3 919 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,0,1,0,0,0|1,0,1]=3 920 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,0,1,0,0,0|2,0,1]=4 921 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,0,1,0,0,0|2,0,1]=4 922 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,0,1,0,0,0|2,0,1]=4 923 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,0,1,0,0,0|2,0,1]=4 924 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,0,1,0,0,0|2,0,1]=4 925 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,0,1,0,0,0|2,0,0]=3 926 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,0,1,0,0,0|2,0,0]=3 927 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,0,1,0,0,0|1,0,1]=3 928 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,0,1,0,0,0|1,0,1]=3 929 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,0,1,0,0,0|2,0,1]=4 930 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,0,1,0,0,0|2,0,1]=4 931 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,0,1,0,0,0|2,0,1]=4 932 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,0,1,0,0,0|2,0,1]=4 933 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,0,1,0,0,0|2,0,1]=4 934 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,0,1,0,0,0|2,0,0]=3 935 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,0,1,0,0,0|2,0,1]=4 936 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,0,1,0,0,0|2,0,1]=4 937 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,0,1,0,0,0|2,0,0]=3 938 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,0,1,0,0,0|2,0,0]=3 939 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,0,1,0,0,0|2,0,0]=3 940 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,0,1,0,0,0|2,0,0]=3 941 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,0,1,0,0,0|2,0,0]=3 942 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,0,1,0,0,0|2,0,0]=3 943 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,0,1,0,0,0|2,0,0]=3 944 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,0,1,0,0,0|2,0,0]=3 945 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,0,1,0,0,0|2,0,1]=4 946 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,0,1,0,0,0|2,0,1]=4 947 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,0,1,0,0,0|3,0,0]=4 948 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,0,1,0,0,0|2,0,0]=3 949 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,0,1,0,0,0|2,0,0]=3 950 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,0,1,0,0,0|2,0,0]=3 951 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,0,1,0,0,0|2,0,0]=3 952 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,0,1,0,0,0|2,0,1]=4 953 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,0,1,0,0,0|2,0,1]=4 954 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,0,1,0,0,0|3,0,0]=4 955 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,0,1,0,0,0|3,0,0]=4 956 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,0,1,0,0,0|2,0,0]=3 957 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,0,1,0,0,0|2,0,1]=4 958 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,0,1,0,0,0|3,0,0]=4 959 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,0,1,0,0,0|3,0,0]=4 960 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,0,1,0,0,0|3,0,0]=4 961 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,0,1,0,0,0|3,0,0]=4 962 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,0,1,0,0,0|3,0,0]=4 963 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,0,1,0,0,0|2,0,0]=3 964 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,0,1,0,0,0|2,0,0]=3 965 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,0,1,0,0,0|2,0,0]=3 966 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,0,1,0,0,0|2,0,0]=3 967 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,0,1,0,0,0|2,0,0]=3 968 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,0,1,0,0,0|2,0,0]=3 969 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,0,1,0,0,0|2,0,1]=4 970 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,0,1,0,0,0|2,0,1]=4 971 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,0,1,0,0,0|2,0,1]=4 972 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,0,1,0,0,0|3,0,0]=4 973 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,0,1,0,0,0|3,0,0]=4 974 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,0,1,0,0,0|3,0,0]=4 975 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,0,1,0,0,0|3,0,0]=4 976 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,0,1,0,0,0|3,0,0]=4 977 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,0,1,0,0,0|3,0,0]=4 978 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,0,1,0,0,0|3,0,0]=4 979 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,0,1,0,0,0|3,0,0]=4 980 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,0,1,0,0,0|3,0,0]=4 981 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,0,1,0,0,0|2,0,0]=3 982 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,0,1,0,0,0|2,0,0]=3 983 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,0,1,0,0,0|2,0,0]=3 984 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,0,1,0,0,0|2,0,0]=3 985 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,0,1,0,0,0|2,0,1]=4 986 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,0,1,0,0,0|2,0,1]=4 987 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,0,1,0,0,0|3,0,0]=4 988 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,0,1,0,0,0|3,0,0]=4 989 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,0,1,0,0,0|3,0,0]=4 990 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,0,1,0,0,0|3,0,0]=4 991 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,0,1,0,0,0|3,0,0]=4 992 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,0,1,0,0,0|3,0,0]=4 993 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,0,1,0,0,0|3,0,0]=4 994 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,0,1,0,0,0|3,0,0]=4 995 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,0,1,0,0,0|2,0,1]=4 996 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,0,1,0,0,0|2,0,1]=4 997 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,0,1,0,0,0|2,0,0]=3 998 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,0,1,0,0,0|2,0,0]=3 999 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,0,1,0,0,0|3,0,0]=4 1000 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,0,1,0,0,0|3,0,0]=4 1001 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,0,1,0,0,0|3,0,0]=4 1002 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,0,1,0,0,0|3,0,0]=4 1003 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,0,1,0,0,0|3,0,0]=4 1004 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,0,1,0,0,0|3,0,0]=4 1005 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,0,1,0,0,0|2,0,0]=3 1006 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,0,1,0,0,0|2,0,1]=4 1007 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,0,1,0,0,0|2,0,1]=4 1008 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,0,1,0,0,0|2,0,0]=3 1009 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,0,1,0,0,0|2,0,0]=3 1010 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,0,1,0,0,0|2,0,0]=3 1011 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,0,1,0,0,0|2,0,0]=3 1012 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,0,1,0,0,0|2,0,1]=4 1013 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,0,1,0,0,0|2,0,1]=4 1014 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,0,1,0,0,0|3,0,0]=4 1015 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,0,1,0,0,0|3,0,0]=4 1016 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,0,1,0,0,0|3,0,0]=4 1017 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,0,1,0,0,0|3,0,0]=4 1018 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,0,1,0,0,0|3,0,0]=4 1019 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,0,1,0,0,0|3,0,0]=4 1020 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,0,1,0,0,0|3,0,0]=4 1021 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,0,1,0,0,0|3,0,0]=4 1022 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,0,1,0,0,0|3,0,0]=4 1023 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,0,1,0,0,0|2,0,0]=3 1024 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,0,1,0,0,0|3,0,0]=4 1025 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,0,1,0,0,0|3,0,0]=4 1026 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,0,1,0,0,0|3,0,0]=4 1027 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,0,1,0,0,0|3,0,0]=4 1028 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,0,1,0,0,0|3,0,0]=4 1029 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,0,1,0,0,0|3,0,0]=4 1030 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,0,1,0,0,0|3,0,0]=4 1031 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,0,1,0,0,0|2,0,1]=4 1032 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,0,1,0,0,0|3,0,0]=4 1033 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,0,1,0,0,0|3,0,0]=4 1034 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,0,1,0,0,0|2,0,1]=4 1035 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,0,1,0,0,0|2,0,1]=4 1036 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,0,1,0,0,0|3,0,0]=4 1037 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,0,1,0,0,0|3,0,0]=4 1038 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,0,1,0,0,0|3,0,0]=4 1039 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,0,1,0,0,0|3,0,0]=4 1040 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,0,1,0,0,0|3,0,0]=4 1041 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,0,1,0,0,0|3,0,0]=4 1042 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,0,1,0,0,0|3,0,0]=4 1043 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,0,1,0,0,0|2,0,1]=4 1044 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,0,1,0,0,0|2,0,1]=4 1045 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,0,1,0,0,0|2,0,0]=3 1046 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,0,1,0,0,0|2,0,0]=3 1047 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,0,1,0,0,0|3,0,0]=4 1048 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,0,1,0,0,0|3,0,0]=4 1049 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,0,1,0,0,0|3,0,0]=4 1050 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,0,1,0,0,0|3,0,0]=4 1051 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,0,1,0,0,0|3,0,0]=4 1052 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,0,1,0,0,0|3,0,0]=4 1053 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,0,1,0,0,0|3,0,0]=4 1054 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,0,1,0,0,0|3,0,0]=4 1055 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,0,1,0,0,0|3,0,0]=4 1056 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,0,1,0,0,0|2,0,1]=4 1057 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,0,1,0,0,0|3,0,0]=4 1058 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,0,1,0,0,0|3,0,0]=4 1059 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,0,1,0,0,0|2,0,1]=4 1060 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,0,1,0,0,0|2,0,0]=3 1061 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,0,1,0,0,0|2,0,0]=3 1062 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,0,1,0,0,0|2,0,0]=3 1063 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,0,1,0,0,0|1,0,1]=3 1064 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,0,1,0,0,0|3,0,0]=4 1065 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,0,1,0,0,0|3,0,0]=4 1066 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,0,1,0,0,0|3,0,0]=4 1067 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,0,1,0,0,0|3,0,0]=4 1068 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,0,1,0,0,0|3,0,0]=4 1069 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,0,1,0,0,0|3,0,0]=4 1070 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,0,1,0,0,0|2,0,1]=4 1071 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,0,1,0,0,0|3,0,0]=4 1072 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,0,1,0,0,0|3,0,0]=4 1073 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,0,1,0,0,0|3,0,0]=4 1074 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,0,1,0,0,0|3,0,0]=4 1075 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,0,1,0,0,0|3,0,0]=4 1076 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,0,1,0,0,0|3,0,0]=4 1077 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,0,1,0,0,0|3,0,0]=4 1078 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,0,1,0,0,0|3,0,0]=4 1079 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,0,1,0,0,0|3,0,0]=4 1080 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,0,1,0,0,0|3,0,0]=4 1081 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,0,1,0,0,0|3,0,0]=4 1082 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,0,1,0,0,0|3,0,0]=4 1083 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,0,1,0,0,0|3,0,0]=4 1084 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,0,1,0,0,0|3,0,0]=4 1085 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,0,1,0,0,0|2,0,1]=4 1086 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,0,1,0,0,0|2,0,1]=4 1087 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,0,1,0,0,0|2,0,0]=3 1088 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,0,1,0,0,0|2,0,0]=3 1089 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,0,1,0,0,0|3,0,0]=4 1090 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,0,1,0,0,0|3,0,0]=4 1091 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,0,1,0,0,0|3,0,0]=4 1092 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,0,1,0,0,0|3,0,0]=4 1093 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,0,1,0,0,0|3,0,0]=4 1094 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,0,1,0,0,0|3,0,0]=4 1095 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,0,1,0,0,0|3,0,0]=4 1096 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,0,1,0,0,0|3,0,0]=4 1097 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,0,1,0,0,0|2,0,1]=4 1098 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,0,1,0,0,0|3,0,0]=4 1099 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,0,1,0,0,0|3,0,0]=4 1100 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,0,1,0,0,0|3,0,0]=4 1101 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,0,1,0,0,0|2,0,1]=4 1102 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,0,1,0,0,0|3,0,0]=4 1103 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,0,1,0,0,0|3,0,0]=4 1104 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,0,1,0,0,0|3,0,0]=4 1105 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,0,1,0,0,0|3,0,0]=4 1106 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,0,1,0,0,0|3,0,0]=4 1107 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,0,1,0,0,0|3,0,0]=4 1108 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,0,1,0,0,0|3,0,0]=4 1109 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,0,1,0,0,0|3,0,0]=4 1110 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,0,1,0,0,0|3,0,0]=4 1111 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,0,1,0,0,0|3,0,0]=4 1112 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,0,1,0,0,0|3,0,0]=4 1113 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,0,1,0,0,0|3,0,0]=4 1114 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,0,1,0,0,0|3,0,0]=4 1115 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,0,1,0,0,0|3,0,0]=4 1116 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,0,1,0,0,0|3,0,0]=4 1117 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,0,1,0,0,0|3,0,0]=4 1118 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,0,1,0,0,0|3,0,0]=4 1119 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,0,1,0,0,0|3,0,0]=4 1120 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,0,1,0,0,0|3,0,0]=4 1121 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,0,1,0,0,0|3,0,0]=4 1122 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,0,1,0,0,0|3,0,0]=4 1123 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,0,1,0,0,0|3,0,0]=4 1124 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,0,1,0,0,0|3,0,0]=4 1125 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,0,1,0,0,0|3,0,0]=4 1126 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,0,1,0,0,0|3,0,0]=4 1127 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,0,1,0,0,0|3,0,0]=4 1128 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,0,1,0,0,0|3,0,0]=4 1129 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,0,1,0,0,0|3,0,0]=4 1130 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [0,0,1,0,0,0|3,0,0]=4 1131 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,0,1,0,0,0|3,0,0]=4 1132 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,0,1,0,0,0|3,0,0]=4 1133 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,0,1,0,0,0|2,0,1]=4 1134 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,0,1,0,0,0|2,0,1]=4 1135 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,0,1,0,0,0|3,0,0]=4 1136 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,0,1,0,0,0|3,0,0]=4 1137 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,0,1,0,0,0|3,0,0]=4 1138 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,0,1,0,0,0|3,0,0]=4 1139 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,0,1,0,0,0|3,0,0]=4 1140 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,0,1,0,0,0|3,0,0]=4 1141 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,0,1,0,0,0|3,0,0]=4 1142 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,0,1,0,0,0|3,0,0]=4 1143 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,0,1,0,0,0|3,0,0]=4 1144 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,0,1,0,0,0|3,0,0]=4 1145 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,0,1,0,0,0|3,0,0]=4 1146 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,0,1,0,0,0|3,0,0]=4 1147 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,0,1,0,0,0|3,0,0]=4 1148 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,0,1,0,0,0|3,0,0]=4 1149 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,0,1,0,0,0|3,0,0]=4 1150 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,0,1,0,0,0|3,0,0]=4 1151 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,0,1,0,0,0|3,0,0]=4 1152 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,0,1,0,0,0|3,0,0]=4 1153 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,0,1,0,0,0|3,0,0]=4 1154 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,0,1,0,0,0|2,0,1]=4 1155 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,0,1,0,0,0|3,0,0]=4 1156 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,0,1,0,0,0|3,0,0]=4 1157 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,0,1,0,0,0|3,0,0]=4 1158 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,0,1,0,0,0|3,0,0]=4 1159 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,0,1,0,0,0|3,0,0]=4 1160 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,0,1,0,0,0|2,0,1]=4 1161 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,0,1,0,0,0|3,0,0]=4 1162 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,0,1,0,0,0|3,0,0]=4 1163 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,0,1,0,0,0|3,0,0]=4 1164 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,0,1,0,0,0|3,0,0]=4 1165 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,0,1,0,0,0|3,0,0]=4 1166 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,0,1,0,0,0|3,0,0]=4 1167 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,0,1,0,0,0|3,0,0]=4 1168 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,0,1,0,0,0|3,0,0]=4 1169 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,0,1,0,0,0|3,0,0]=4 1170 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,0,1,0,0,0|3,0,0]=4 1171 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,0,1,0,0,0|3,0,0]=4 1172 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,0,1,0,0,0|3,0,0]=4 1173 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,0,1,0,0,0|3,0,0]=4 1174 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,0,1,0,0,0|3,0,0]=4 1175 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,0,1,0,0,0|3,0,0]=4 1176 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,0,1,0,0,0|3,0,0]=4 1177 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,0,1,0,0,0|3,0,0]=4 1178 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,0,1,0,0,0|3,0,0]=4 1179 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,0,1,0,0,0|3,0,0]=4 1180 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,0,1,0,0,0|3,0,0]=4 1181 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,0,1,0,0,0|3,0,0]=4 1182 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,0,1,0,0,0|3,0,0]=4 1183 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,0,1,0,0,0|3,0,0]=4 1184 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,0,1,0,0,0|3,0,0]=4 1185 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,0,1,0,0,0|3,0,0]=4 1186 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,0,1,0,0,0|3,0,0]=4 1187 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,0,1,0,0,0|3,0,0]=4 1188 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,0,1,0,0,0|3,0,0]=4 1189 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,0,1,0,0,0|3,0,0]=4 1190 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,0,1,0,0,0|3,0,0]=4 1191 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,0,1,0,0,0|3,0,0]=4 1192 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,0,1,0,0,0|3,0,0]=4 1193 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,0,1,0,0,0|3,0,0]=4 1194 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,0,1,0,0,0|3,0,0]=4 1195 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,0,1,0,0,0|3,0,0]=4 1196 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,0,1,0,0,0|3,0,0]=4 1197 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,0,1,0,0,0|3,0,0]=4 1198 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,0,1,0,0,0|3,0,0]=4 1199 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,0,1,0,0,0|3,0,0]=4 1200 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,0,1,0,0,0|3,0,0]=4 1201 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,0,1,0,0,0|3,0,0]=4 1202 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,0,1,0,0,0|3,0,0]=4 1203 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,0,1,0,0,0|3,0,0]=4 1204 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,0,1,0,0,0|3,0,0]=4 1205 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,0,1,0,0,0|3,0,0]=4 1206 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,0,1,0,0,0|3,0,0]=4 1207 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,0,1,0,0,0|3,0,0]=4 1208 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,0,1,0,0,0|3,0,0]=4 1209 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,0,1,0,0,0|3,0,0]=4 1210 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,0,1,0,0,0|2,0,1]=4 1211 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,0,1,0,0,0|3,0,0]=4 1212 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,0,1,0,0,0|3,0,0]=4 1213 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,0,1,0,0,0|3,0,0]=4 1214 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,0,1,0,0,0|3,0,0]=4 1215 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,0,1,0,0,0|3,0,0]=4 1216 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,0,1,0,0,0|3,0,0]=4 1217 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,0,1,0,0,0|3,0,0]=4 1218 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,0,1,0,0,0|3,0,0]=4 1219 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,0,1,0,0,0|3,0,0]=4 1220 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,0,1,0,0,0|3,0,0]=4 1221 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,0,1,0,0,0|3,0,0]=4 1222 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,0,1,0,0,0|3,0,0]=4 1223 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,0,1,0,0,0|3,0,0]=4 1224 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,0,1,0,0,0|3,0,0]=4 1225 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,0,1,0,0,0|3,0,0]=4 1226 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,0,1,0,0,0|3,0,0]=4 1227 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,0,1,0,0,0|3,0,0]=4 1228 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,0,1,0,0,0|3,0,0]=4 1229 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,0,1,0,0,0|3,0,0]=4 1230 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,0,1,0,0,0|3,0,0]=4 1231 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,0,1,0,0,0|3,0,0]=4 1232 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,0,1,0,0,0|3,0,0]=4 1233 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,0,1,0,0,0|3,0,0]=4 1234 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,0,1,0,0,0|3,0,0]=4 1235 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,0,1,0,0,0|3,0,0]=4 1236 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,0,1,0,0,0|3,0,0]=4 1237 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,0,1,0,0,0|3,0,0]=4 1238 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,0,1,0,0,0|3,0,0]=4 1239 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,0,1,0,0,0|3,0,0]=4 1240 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,0,1,0,0,0|3,0,0]=4 1241 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,0,1,0,0,0|3,0,0]=4 1242 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,0,1,0,0,0|3,0,0]=4 1243 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,0,1,0,0,0|3,0,0]=4 1244 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,0,1,0,0,0|3,0,0]=4 1245 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,0,1,0,0,0|3,0,0]=4 1246 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,0,1,0,0,0|3,0,0]=4 1247 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,0,1,0,0,0|3,0,0]=4 1248 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,0,1,0,0,0|3,0,0]=4 1249 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,0,1,0,0,0|3,0,0]=4 1250 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,0,1,0,0,0|3,0,0]=4 1251 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,0,1,0,0,0|3,0,0]=4 1252 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,0,1,0,0,0|3,0,0]=4 1253 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,0,1,0,0,0|3,0,0]=4 1254 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,0,1,0,0,0|3,0,0]=4 1255 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,0,1,0,0,0|3,0,0]=4 1256 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,0,1,0,0,0|3,0,0]=4 1257 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,0,1,0,0,0|3,0,0]=4 1258 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,0,1,0,0,0|3,0,0]=4 1259 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,0,1,0,0,0|3,0,0]=4 1260 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,0,1,0,0,0|3,0,0]=4 1261 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,0,1,0,0,0|3,0,0]=4 1262 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,0,1,0,0,0|3,0,0]=4 1263 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,0,1,0,0,0|3,0,0]=4 1264 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,0,1,0,0,0|3,0,0]=4 1265 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,0,1,0,0,0|3,0,0]=4 1266 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,0,1,0,0,0|3,0,0]=4 1267 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,0,1,0,0,0|3,0,0]=4 1268 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,0,1,0,0,0|3,0,0]=4 1269 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,0,1,0,0,0|3,0,0]=4 1270 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,0,1,0,0,0|3,0,0]=4 1271 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,0,1,0,0,0|3,0,0]=4 1272 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,0,1,0,0,0|3,0,0]=4 1273 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,0,1,0,0,0|2,0,1]=4 1274 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,0,1,0,0,0|3,0,0]=4 1275 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,0,1,0,0,0|3,0,0]=4 1276 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,0,1,0,0,0|3,0,0]=4 1277 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,0,1,0,0,0|2,0,0]=3 1278 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,0,1,0,0,0|2,0,0]=3 1279 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,0,1,0,0,0|3,0,0]=4 1280 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,0,1,0,0,0|3,0,0]=4 1281 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,0,1,0,0,0|3,0,0]=4 1282 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,0,1,0,0,0|3,0,0]=4 1283 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,0,1,0,0,0|2,0,1]=4 1284 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,0,1,0,0,0|2,0,1]=4 1285 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,0,1,0,0,0|2,0,1]=4 1286 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,0,1,0,0,0|2,0,1]=4 1287 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,0,1,0,0,0|2,0,1]=4 1288 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,0,1,0,0,0|2,0,1]=4 1289 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,0,1,0,0,0|2,0,1]=4 1290 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,0,1,0,0,0|2,0,1]=4 1291 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,0,1,0,0,0|2,0,1]=4 1292 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,0,1,0,0,0|2,0,1]=4 1293 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,0,1,0,0,0|2,0,1]=4 1294 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,0,1,0,0,0|3,0,0]=4 1295 B11R0.154 C=CC(=O)NC(C)CCCCC 1626a_100000211957_100000185746 [0,0,1,0,0,0|1,0,2]=4 1296 B11R0.154 C=CC(=O)NC(C)CCCCC 240690a_100000211957_200121576911 [0,0,1,0,0,0|1,0,2]=4 1297 B11R0.154 CCC(=O)CN(C)CCCCO 269982a_100000717598_100000747405 [0,0,1,0,0,0|3,0,0]=4 1298 B11R0.154 CCC(=O)CN(C)CCCOC 269982a_100000224831_100000747405 [0,0,1,0,0,0|3,0,0]=4 1299 B11R0.154 CCC(C)OC(C)CCCOC 34a_200011539412_100011215416 [0,0,1,0,0,0|2,0,1]=4 1300 B11R0.154 CCC(C)OC(C)CCCOC 7a_200011539412_100000758301 [0,0,1,0,0,0|2,0,1]=4 1301 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,0,1,0,0,0|2,0,1]=4 1302 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,0,1,0,0,0|2,0,1]=4 1303 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,0,1,0,0,0|1,0,0]=2 1304 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,0,1,0,0,0|1,0,0]=2 1305 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,0,1,0,0,0|1,0,0]=2 1306 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,0,1,0,0,0|1,0,0]=2 1307 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,0,1,0,0,0|2,0,0]=3 1308 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,0,1,0,0,0|2,0,0]=3 1309 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [0,0,1,0,0,0|2,0,0]=3 1310 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [0,0,1,0,0,0|2,0,0]=3 1311 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [0,0,1,0,0,0|2,0,0]=3 1312 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [0,0,1,0,0,0|2,0,0]=3 1313 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [0,0,1,0,0,0|2,0,0]=3 1314 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [0,0,1,0,0,0|2,0,0]=3 1315 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000209981_200011218191 [0,0,1,0,0,0|2,0,1]=4 1316 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000211957_100000758301 [0,0,1,0,0,0|2,0,1]=4 1317 B11R0.154 CCCCCC(C)NC(C)CC 270004a_100000209981_100000211708 [0,0,1,0,0,0|2,0,1]=4 1318 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [0,0,1,0,0,0|1,0,1]=3 1319 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [0,0,1,0,0,0|1,0,1]=3 1320 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [0,0,1,0,0,0|1,0,1]=3 1321 B11R0.154 CCCCCC(C)OC(C)CF 34a_100016041109_200011218191 [0,0,1,0,0,0|2,0,1]=4 1322 B11R0.154 CCCCCC(C)OC(C)CF 7a_100016041109_200011218191 [0,0,1,0,0,0|2,0,1]=4 1323 B11R0.154 CCCCCC(C)OC(C)CN 34a_100000210904_200011218191 [0,0,1,0,0,0|2,0,1]=4 1324 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [0,0,1,0,0,0|2,0,1]=4 1325 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [0,0,1,0,0,0|2,0,1]=4 1326 B11R0.154 CCCCCC(C)SC(C)CC 62a_100000758301_200011218191 [0,0,1,0,0,0|1,1,1]=4 1327 B11R0.154 CCCCCC(C)SC(C)CC 62a_200011218191_100000758301 [0,0,1,0,0,0|1,1,1]=4 1328 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,0,1,0,0,0|2,0,0]=3 1329 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [0,0,1,0,0,0|3,0,0]=4 1330 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [0,0,1,0,0,0|3,0,0]=4 1331 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [0,0,1,0,0,0|3,0,0]=4 1332 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [0,0,1,0,0,0|3,0,0]=4 1333 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [0,0,1,0,0,0|3,0,0]=4 1334 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [0,0,1,0,0,0|3,0,0]=4 1335 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [0,0,1,0,0,0|3,0,0]=4 1336 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [0,0,1,0,0,0|3,0,0]=4 1337 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [0,0,1,0,0,0|3,0,0]=4 1338 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [0,0,1,0,0,0|3,0,0]=4 1339 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [0,0,1,0,0,0|3,0,0]=4 1340 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [0,0,1,0,0,0|3,0,0]=4 1341 B13R2.13 O=C1CN(CCN1)C2CCCC2 2230a_100000184651_100000179811 [0,0,0,1,0,0|3,0,0]=4 1342 B13R2.13 O=C1CN(CCN1)C2CCCC2 270004a_100000184651_100000210133 [0,0,0,1,0,0|3,0,0]=4 1343 B13R2.13 O=C1CN(CCO1)C2CCCC2 2230a_100000131268_100000179811 [0,0,0,1,0,0|3,0,0]=4 1344 B13R2.13 O=C1CN(CCO1)C2CCCC2 270004a_100000131268_100000210133 [0,0,0,1,0,0|3,0,0]=4 1345 B13R2.3021 CC1=CC(CCC1)OC2CCC2 34a_100011218613_100000749161 [0,0,0,1,0,0|3,0,0]=4 1346 B13R2.3021 O=C1CC(CCN1)NC2CCC2 34a_100016994916_100000749161 [0,0,0,1,0,0|3,0,0]=4 1347 B13R2.3021 O=C1CCCC(C1)OC2CCC2 34a_100012613340_100000749161 [0,0,0,1,0,0|2,0,0]=3 1348 B13R2.3021 O=C1CCCC(C1)OC2COC2 34a_100012613340_100009818527 [0,0,0,1,0,0|3,0,0]=4 1349 B13R2.3021 O=C1CN(CCN1)CC2CCC2 2230a_100000184651_100000763275 [0,0,0,1,0,0|3,0,0]=4 1350 B13R2.3021 O=C1CN(CCO1)CC2CCC2 2230a_100000131268_100000763275 [0,0,0,1,0,0|3,0,0]=4 1351 B13R2.3021 O=C1C[C@@H](CCN1)OC2CCC2 34a_100015189427_100000749161 [0,0,0,1,0,0|3,0,0]=4 1352 B13R2.5331 CC1=CC(CCC1)OCC2CC2 34a_100011218613_100000742324 [0,0,0,1,0,0|3,0,0]=4 1353 B13R2.5331 O=C1CC(CCN1)COC2CC2 34a_100009886756_100000211595 [0,0,0,1,0,0|3,0,0]=4 1354 B13R2.5331 O=C1CC(CCN1)NCC2CC2 2230a_100016994916_100000742324 [0,0,0,1,0,0|3,0,0]=4 1355 B13R2.5331 O=C1CC(CCN1)NCC2CC2 269862a_100016994916_100000741477 [0,0,0,1,0,0|3,0,0]=4 1356 B13R2.5331 O=C1CC(CCN1)NCC2CC2 34a_100016994916_100000742324 [0,0,0,1,0,0|3,0,0]=4 1357 B13R2.5331 O=C1CCCC(C1)OCC2CC2 34a_100012613340_100000742324 [0,0,0,1,0,0|2,0,0]=3 1358 B13R2.5331 O=C1CCCC(C1)OCC2CO2 34a_100012613340_102125554688 [0,0,0,1,0,0|3,0,0]=4 1359 B13R2.5331 O=C1CCCC(N1)COC2CC2 34a_200000102386_100000211595 [0,0,0,1,0,0|2,0,0]=3 1360 B13R2.5331 O=C1CN(CCN1)CCC2CC2 2230a_100000184651_100000694398 [0,0,0,1,0,0|3,0,0]=4 1361 B13R2.5331 O=C1CN(CCO1)CCC2CC2 2230a_100000131268_100000694398 [0,0,0,1,0,0|3,0,0]=4 1362 B13R2.5331 O=C1COCC(N1)COC2CC2 34a_200000101122_100000211595 [0,0,0,1,0,0|3,0,0]=4 1363 B13R2.5331 O=C1C[C@@H](CCN1)OCC2CC2 34a_100015189427_100000742324 [0,0,0,1,0,0|3,0,0]=4 1364 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,0,0,0,1,0|3,0,0]=4 1365 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,0,0,0,1,0|3,0,0]=4 1366 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,0,0,0,1,0|2,0,0]=3 1367 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,0,0,0,1,0|3,0,0]=4 1368 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,0,0,0,1,0|2,0,0]=3 1369 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,0,0,0,1,0|2,0,0]=3 1370 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,0,0,0,1,0|3,0,0]=4 1371 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,0,0,0,1,0|3,0,0]=4 1372 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,0,0,0,1,0|2,0,0]=3 1373 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,0,0,0,1,0|2,0,0]=3 1374 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,0,0,0,1,0|2,0,0]=3 1375 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,0,0,0,1,0|3,0,0]=4 1376 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,0,0,0,1,0|2,0,0]=3 1377 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,0,0,0,1,0|2,0,0]=3 1378 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,0,0,0,1,0|2,0,0]=3 1379 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,0,0,0,1,0|3,0,0]=4 1380 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,0,0,0,1,0|2,0,0]=3 1381 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,0,0,0,1,0|2,0,0]=3 1382 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,0,0,0,1,0|2,0,0]=3 1383 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,0,0,0,1,0|2,0,0]=3 1384 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,0,0,0,1,0|2,0,0]=3 1385 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,0,0,0,1,0|2,0,0]=3 1386 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,0,0,0,1,0|3,0,0]=4 1387 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,0,0,0,1,0|3,0,0]=4 1388 B11R1.27 CCOCSC1COC(=O)O1 62a_100000739092_100000032252 [0,0,0,0,1,0|3,0,0]=4 1389 B11R1.27 CCSCCC1COS(=O)O1 62a_100000210202_100009840081 [0,0,0,0,1,0|3,0,0]=4 1390 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,0,0,0,1,0|3,0,0]=4 1391 B11R1.27 COCCOC1COC(=O)O1 34a_100000210237_100000032252 [0,0,0,0,1,0|3,0,0]=4 1392 B11R1.27 COCCSC1COC(=O)O1 62a_100000233755_100000032252 [0,0,0,0,1,0|3,0,0]=4 1393 B11R1.27 COCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000766300 [0,0,0,0,1,0|3,0,0]=4 1394 B11R1.27 COCSCC1CNC(=O)O1 62a_100000181169_100000766300 [0,0,0,0,1,0|3,0,0]=4 1395 B11R1.27 COCSCC1CNC(=O)O1 62a_100000766300_100000181169 [0,0,0,0,1,0|3,0,0]=4 1396 B11R1.27 COCSCC1COC(=O)O1 62a_100000073702_100000766300 [0,0,0,0,1,0|3,0,0]=4 1397 B11R1.27 COCSCC1COC(=O)O1 62a_100000766300_100000073702 [0,0,0,0,1,0|3,0,0]=4 1398 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100000766300_100015189358 [0,0,0,0,1,0|3,0,0]=4 1399 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000766300 [0,0,0,0,1,0|3,0,0]=4 1400 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,0,0,0,1,0|3,0,0]=4 1401 B11R1.27 CSCCOC1COC(=O)O1 34a_100000230434_100000032252 [0,0,0,0,1,0|3,0,0]=4 1402 B11R1.27 CSCCSC1COC(=O)O1 62a_100000212216_100000032252 [0,0,0,0,1,0|3,0,0]=4 1403 B11R1.27 CSCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218213 [0,0,0,0,1,0|3,0,0]=4 1404 B11R1.27 CSCNC[C@H]1CCC(=O)N1 34a_100015423886_100011218213 [0,0,0,0,1,0|3,0,0]=4 1405 B11R1.27 CSCOCC1CCC(=O)N1 34a_100000737831_100011218213 [0,0,0,0,1,0|3,0,0]=4 1406 B11R1.27 CSCOCC1CNC(=O)O1 34a_100011315639_100011218213 [0,0,0,0,1,0|3,0,0]=4 1407 B11R1.27 CSCSCC1CNC(=O)O1 62a_100000181169_100011218213 [0,0,0,0,1,0|3,0,0]=4 1408 B11R1.27 CSCSCC1CNC(=O)O1 62a_100011218213_100000181169 [0,0,0,0,1,0|3,0,0]=4 1409 B11R1.27 CSCSCC1COC(=O)O1 62a_100000073702_100011218213 [0,0,0,0,1,0|3,0,0]=4 1410 B11R1.27 CSCSCC1COC(=O)O1 62a_100011218213_100000073702 [0,0,0,0,1,0|3,0,0]=4 1411 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100011218213_100015189358 [0,0,0,0,1,0|3,0,0]=4 1412 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218213 [0,0,0,0,1,0|3,0,0]=4 1413 B11R1.27 NCCCOC1COC(=O)O1 34a_100000182051_100000032252 [0,0,0,0,1,0|3,0,0]=4 1414 B11R1.27 NCCOCC1CNC(=O)O1 34a_100000210304_100000181169 [0,0,0,0,1,0|3,0,0]=4 1415 B11R1.27 NCCOCC1COC(=O)O1 34a_100000210304_100000073702 [0,0,0,0,1,0|3,0,0]=4 1416 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,0,0,0,1,0|3,0,0]=4 1417 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,0,0,0,1,0|3,0,0]=4 1418 B11R1.27 O=C1CCC(N1)COCCF 34a_100000737831_100011217306 [0,0,0,0,1,0|3,0,0]=4 1419 B11R1.27 O=C1CCC(N1)COCCO 34a_100000737831_100000211926 [0,0,0,0,1,0|3,0,0]=4 1420 B11R1.27 O=C1CC[C@@H](N1)CNCCF 2230a_100015423886_100011217306 [0,0,0,0,1,0|3,0,0]=4 1421 B11R1.27 O=C1CC[C@@H](N1)CNCCF 34a_100015423886_100011217306 [0,0,0,0,1,0|3,0,0]=4 1422 B11R1.27 O=C1CC[C@@H](N1)CNCCO 2230a_100015423886_100000211926 [0,0,0,0,1,0|3,0,0]=4 1423 B11R1.27 O=C1CC[C@@H](N1)CNCCO 34a_100015423886_100000211926 [0,0,0,0,1,0|3,0,0]=4 1424 B11R1.27 O=C1CC[C@H](N1)CNCCO 2230a_100016997473_100015189358 [0,0,0,0,1,0|3,0,0]=4 1425 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100011217306_100015189358 [0,0,0,0,1,0|3,0,0]=4 1426 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100015189358_100011217306 [0,0,0,0,1,0|3,0,0]=4 1427 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100000211926_100015189358 [0,0,0,0,1,0|3,0,0]=4 1428 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100015189358_100000211926 [0,0,0,0,1,0|3,0,0]=4 1429 B11R1.27 O=C1NCC(O1)CNCCF 34a_100000724931_100000181169 [0,0,0,0,1,0|3,0,0]=4 1430 B11R1.27 O=C1NCC(O1)CNCCO 2230a_100016997473_100000181169 [0,0,0,0,1,0|3,0,0]=4 1431 B11R1.27 O=C1NCC(O1)CNCCO 34a_100016990907_100000181169 [0,0,0,0,1,0|3,0,0]=4 1432 B11R1.27 O=C1NCC(O1)COCCBr 34a_100000211926_100000181169 [0,0,0,0,1,0|3,0,0]=4 1433 B11R1.27 O=C1NCC(O1)COCCF 34a_100011315639_100011217306 [0,0,0,0,1,0|3,0,0]=4 1434 B11R1.27 O=C1NCC(O1)COCCO 34a_100011315639_100000211926 [0,0,0,0,1,0|3,0,0]=4 1435 B11R1.27 O=C1NCC(O1)CSCCF 62a_100000181169_100011217306 [0,0,0,0,1,0|3,0,0]=4 1436 B11R1.27 O=C1NCC(O1)CSCCF 62a_100011217306_100000181169 [0,0,0,0,1,0|3,0,0]=4 1437 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000181169_100000211926 [0,0,0,0,1,0|3,0,0]=4 1438 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000211926_100000181169 [0,0,0,0,1,0|3,0,0]=4 1439 B11R1.27 O=C1OCC(O1)CNCCF 34a_100000724931_100000073702 [0,0,0,0,1,0|3,0,0]=4 1440 B11R1.27 O=C1OCC(O1)CNCCO 34a_100016990907_100000073702 [0,0,0,0,1,0|3,0,0]=4 1441 B11R1.27 O=C1OCC(O1)COCCBr 34a_100000211926_100000073702 [0,0,0,0,1,0|3,0,0]=4 1442 B11R1.27 O=C1OCC(O1)CSCCF 62a_100000073702_100011217306 [0,0,0,0,1,0|3,0,0]=4 1443 B11R1.27 O=C1OCC(O1)CSCCF 62a_100011217306_100000073702 [0,0,0,0,1,0|3,0,0]=4 1444 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000073702_100000211926 [0,0,0,0,1,0|3,0,0]=4 1445 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000211926_100000073702 [0,0,0,0,1,0|3,0,0]=4 1446 B11R1.27 O=C1OCC(O1)NCCCF 34a_100015189416_100000032252 [0,0,0,0,1,0|3,0,0]=4 1447 B11R1.27 O=C1OCC(O1)OCCCBr 34a_100011217188_100000032252 [0,0,0,0,1,0|3,0,0]=4 1448 B11R1.27 O=C1OCC(O1)OCCCCl 34a_100000230001_100000032252 [0,0,0,0,1,0|3,0,0]=4 1449 B11R1.27 O=C1OCC(O1)OCCCF 34a_100000759539_100000032252 [0,0,0,0,1,0|3,0,0]=4 1450 B11R1.27 O=C1OCC(O1)SCCCF 62a_100011934791_100000032252 [0,0,0,0,1,0|3,0,0]=4 1451 B11R1.27 O=C1OCC(O1)SCCCO 62a_100011215043_100000032252 [0,0,0,0,1,0|3,0,0]=4 1452 B11R1.180 C#CCCNC1CCCC1=O 34a_100000755551_100000709159 [0,0,0,0,1,0|1,0,2]=4 1453 B11R1.180 C#CCCOC1CCCC1=O 34a_100011215631_100000709159 [0,0,0,0,1,0|1,0,2]=4 1454 B11R1.180 C#CCCOC1CCCC1=O 34a_200000719330_100000688953 [0,0,0,0,1,0|1,0,2]=4 1455 B11R1.180 C#CCCSC1CCCC1=O 62a_100000211823_100000688953 [0,0,0,0,1,0|1,0,2]=4 1456 B11R1.180 C#CCCSC1CCCC1=O 62a_100000688953_100000211823 [0,0,0,0,1,0|1,0,2]=4 1457 B11R1.180 C/C=C/COC1CCCC1=O 34a_100016270725_100000709159 [0,0,0,0,1,0|1,0,2]=4 1458 B11R1.180 C/C=C/COC1CCCC1=O 34a_200000719330_100102629194 [0,0,0,0,1,0|1,0,2]=4 1459 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100000211823_100102629194 [0,0,0,0,1,0|1,0,2]=4 1460 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100102629194_100000211823 [0,0,0,0,1,0|1,0,2]=4 1461 B11R1.180 C=CCCNC1CCCC1=O 2230a_100015191253_100000211823 [0,0,0,0,1,0|1,0,2]=4 1462 B11R1.180 C=CCCOC1CCCC1=O 34a_100011205117_100000709159 [0,0,0,0,1,0|1,0,2]=4 1463 B11R1.180 C=CCCOC1CCCC1=O 34a_200000719330_100000754431 [0,0,0,0,1,0|1,0,2]=4 1464 B11R1.180 C=CCCSC1CCCC1=O 62a_100000211823_100000754431 [0,0,0,0,1,0|1,0,2]=4 1465 B11R1.180 C=CCCSC1CCCC1=O 62a_100000754431_100000211823 [0,0,0,0,1,0|1,0,2]=4 1466 B11R1.180 CC#CCNC1CCCC1=O 2230a_100000685387_100000211823 [0,0,0,0,1,0|1,0,2]=4 1467 B11R1.180 CC#CCNC1CCCC1=O 34a_100000685387_100000709159 [0,0,0,0,1,0|1,0,2]=4 1468 B11R1.180 CC#CCOC1CCCC1=O 34a_100000761923_100000709159 [0,0,0,0,1,0|1,0,2]=4 1469 B11R1.180 CC#CCOC1CCCC1=O 34a_200000719330_100000748600 [0,0,0,0,1,0|1,0,2]=4 1470 B11R1.180 CC#CCSC1CCCC1=O 62a_100000211823_100000748600 [0,0,0,0,1,0|1,0,2]=4 1471 B11R1.180 CC#CCSC1CCCC1=O 62a_100000748600_100000211823 [0,0,0,0,1,0|1,0,2]=4 1472 B11R1.180 CC=CCOC1CCCC1=O 34a_200000719330_100000070051 [0,0,0,0,1,0|1,0,2]=4 1473 B11R1.180 CC=CCSC1CCCC1=O 62a_100000070051_100000211823 [0,0,0,0,1,0|1,0,2]=4 1474 B11R1.180 CC=CCSC1CCCC1=O 62a_100000211823_100000070051 [0,0,0,0,1,0|1,0,2]=4 1475 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [0,0,0,0,1,0|2,0,1]=4 1476 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [0,0,0,0,1,0|2,0,1]=4 1477 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [0,0,0,0,1,0|2,0,1]=4 1478 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [0,0,0,0,1,0|2,0,1]=4 1479 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [0,0,0,0,1,0|2,0,1]=4 1480 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,0,0,0,1,0|1,0,0]=2 1481 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,0,0,0,1,0|1,0,0]=2 1482 B11R1.180 CCCCNC1CCCC1C 269862a_100000102301_100000752053 [0,0,0,0,1,0|2,0,1]=4 1483 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [0,0,0,0,1,0|2,0,0]=3 1484 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [0,0,0,0,1,0|2,0,0]=3 1485 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,0,0,0,1,0|2,0,0]=3 1486 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,0,0,0,1,0|2,0,0]=3 1487 B11R1.180 CCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210211 [0,0,0,0,1,0|3,0,0]=4 1488 B11R1.180 CCCCN[C@@H]1CONC1=O 34a_100000765999_100000210210 [0,0,0,0,1,0|3,0,0]=4 1489 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,0,0,0,1,0|1,0,0]=2 1490 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,0,0,0,1,0|1,0,0]=2 1491 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,0,0,0,1,0|1,0,0]=2 1492 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [0,0,0,0,1,0|2,0,1]=4 1493 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [0,0,0,0,1,0|2,0,1]=4 1494 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,0,0,0,1,0|2,0,0]=3 1495 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,0,0,0,1,0|2,0,0]=3 1496 B11R1.180 CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210210 [0,0,0,0,1,0|2,0,1]=4 1497 B11R1.180 CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210210 [0,0,0,0,1,0|2,0,1]=4 1498 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [0,0,0,0,1,0|2,0,0]=3 1499 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,0,0,0,1,0|1,0,0]=2 1500 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,0,0,0,1,0|1,0,0]=2 1501 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,0,0,0,1,0|2,0,0]=3 1502 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,0,0,0,1,0|2,0,0]=3 1503 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [0,0,0,0,1,0|1,0,2]=4 1504 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [0,0,0,0,1,0|1,0,2]=4 1505 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [0,0,0,0,1,0|1,0,2]=4 1506 B11R1.180 CCCOCC1CCCN1C 34a_100000743107_100000210303 [0,0,0,0,1,0|3,0,0]=4 1507 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [0,0,0,0,1,0|2,0,0]=3 1508 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [0,0,0,0,1,0|2,0,0]=3 1509 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [0,0,0,0,1,0|2,0,0]=3 1510 B11R1.180 CCNCCC1CCCN1C 2230a_100015525214_100000005710 [0,0,0,0,1,0|3,0,0]=4 1511 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [0,0,0,0,1,0|2,0,0]=3 1512 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [0,0,0,0,1,0|2,0,0]=3 1513 B11R1.180 CCNCCN1CCNC1=O 2230a_100011207550_100000210202 [0,0,0,0,1,0|3,0,0]=4 1514 B11R1.180 CCNCCN1CCNC1=O 2230a_100015525214_100000090651 [0,0,0,0,1,0|3,0,0]=4 1515 B11R1.180 CCOCCC1CCCN1C 34a_100011215177_100000210202 [0,0,0,0,1,0|3,0,0]=4 1516 B11R1.180 CCOCCC1CCCN1C 34a_100121572206_100000005710 [0,0,0,0,1,0|3,0,0]=4 1517 B11R1.180 CCOCCC1CCCN1C 7a_100011215177_100000210202 [0,0,0,0,1,0|3,0,0]=4 1518 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [0,0,0,0,1,0|2,0,0]=3 1519 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [0,0,0,0,1,0|2,0,0]=3 1520 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [0,0,0,0,1,0|2,0,0]=3 1521 B11R1.180 CCOCCN1CCNC1=O 34a_100000216532_100000210202 [0,0,0,0,1,0|3,0,0]=4 1522 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [0,0,0,0,1,0|2,0,0]=3 1523 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [0,0,0,0,1,0|2,0,0]=3 1524 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [0,0,0,0,1,0|3,0,0]=4 1525 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [0,0,0,0,1,0|3,0,0]=4 1526 B11R1.180 CCSCCC1CCCN1C 62a_100000005710_100000210202 [0,0,0,0,1,0|3,0,0]=4 1527 B11R1.180 CCSCCC1CCCN1C 62a_100000210202_100000005710 [0,0,0,0,1,0|3,0,0]=4 1528 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [0,0,0,0,1,0|2,0,0]=3 1529 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [0,0,0,0,1,0|2,0,0]=3 1530 B11R1.180 CCSCCN1CCNC1=O 62a_100000090651_100000210202 [0,0,0,0,1,0|3,0,0]=4 1531 B11R1.180 CCSCCN1CCNC1=O 62a_100000210202_100000090651 [0,0,0,0,1,0|3,0,0]=4 1532 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [0,0,0,0,1,0|2,0,0]=3 1533 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [0,0,0,0,1,0|2,0,0]=3 1534 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [0,0,0,0,1,0|2,0,0]=3 1535 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [0,0,0,0,1,0|2,0,0]=3 1536 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [0,0,0,0,1,0|2,0,0]=3 1537 B11R1.180 COCCNC1CCNC1=O 2230a_100016995588_100011201679 [0,0,0,0,1,0|3,0,0]=4 1538 B11R1.180 COCCNC1CCNC1=O 34a_100016995588_100011201679 [0,0,0,0,1,0|3,0,0]=4 1539 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [0,0,0,0,1,0|3,0,0]=4 1540 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [0,0,0,0,1,0|2,0,0]=3 1541 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [0,0,0,0,1,0|2,0,0]=3 1542 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [0,0,0,0,1,0|3,0,0]=4 1543 B11R1.180 COCCO[C@H]1CCNC1=O 34a_100000688343_100011201679 [0,0,0,0,1,0|3,0,0]=4 1544 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [0,0,0,0,1,0|2,0,0]=3 1545 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [0,0,0,0,1,0|2,0,0]=3 1546 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [0,0,0,0,1,0|3,0,0]=4 1547 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [0,0,0,0,1,0|3,0,0]=4 1548 B11R1.180 COCSCN1CCCC1=O 62a_100000026320_100000766300 [0,0,0,0,1,0|3,0,0]=4 1549 B11R1.180 COCSCN1CCCC1=O 62a_100000766300_100000026320 [0,0,0,0,1,0|3,0,0]=4 1550 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [0,0,0,0,1,0|2,0,0]=3 1551 B11R1.180 CSCCNC1CCNC1=O 2230a_100016995588_100000751147 [0,0,0,0,1,0|3,0,0]=4 1552 B11R1.180 CSCCNC1CCNC1=O 34a_100016995588_100000212216 [0,0,0,0,1,0|3,0,0]=4 1553 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [0,0,0,0,1,0|3,0,0]=4 1554 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [0,0,0,0,1,0|2,0,0]=3 1555 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [0,0,0,0,1,0|2,0,0]=3 1556 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [0,0,0,0,1,0|2,0,0]=3 1557 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [0,0,0,0,1,0|3,0,0]=4 1558 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [0,0,0,0,1,0|3,0,0]=4 1559 B11R1.180 CSCCO[C@H]1CCNC1=O 34a_100000688343_100000212216 [0,0,0,0,1,0|3,0,0]=4 1560 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [0,0,0,0,1,0|2,0,0]=3 1561 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [0,0,0,0,1,0|2,0,0]=3 1562 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [0,0,0,0,1,0|3,0,0]=4 1563 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [0,0,0,0,1,0|3,0,0]=4 1564 B11R1.180 CSCOCC1CCNC1=O 34a_100000133458_100011218213 [0,0,0,0,1,0|3,0,0]=4 1565 B11R1.180 CSCSCN1CCCC1=O 62a_100000026320_100011218213 [0,0,0,0,1,0|3,0,0]=4 1566 B11R1.180 CSCSCN1CCCC1=O 62a_100011218213_100000026320 [0,0,0,0,1,0|3,0,0]=4 1567 B11R1.180 N#CCCSC1CCCC1=O 62a_100000211823_100011215226 [0,0,0,0,1,0|2,0,1]=4 1568 B11R1.180 N#CCCSC1CCCC1=O 62a_100011215226_100000211823 [0,0,0,0,1,0|2,0,1]=4 1569 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,0,0,0,1,0|2,0,0]=3 1570 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,0,0,0,1,0|3,0,0]=4 1571 B11R1.180 NOCCOC1CCCC1=O 34a_100000700252_100000709159 [0,0,0,0,1,0|3,0,0]=4 1572 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [0,0,0,0,1,0|2,0,0]=3 1573 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [0,0,0,0,1,0|2,0,0]=3 1574 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [0,0,0,0,1,0|2,0,0]=3 1575 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [0,0,0,0,1,0|2,0,0]=3 1576 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [0,0,0,0,1,0|2,0,0]=3 1577 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [0,0,0,0,1,0|2,0,0]=3 1578 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,0,0,0,1,0|2,0,0]=3 1579 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [0,0,0,0,1,0|2,0,0]=3 1580 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [0,0,0,0,1,0|2,0,0]=3 1581 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,0,0,0,1,0|2,0,0]=3 1582 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,0,0,0,1,0|2,0,0]=3 1583 B11R1.180 O=C1CCCN1CCOCF 34a_100000211209_100015361967 [0,0,0,0,1,0|3,0,0]=4 1584 B11R1.180 O=C1CCCN1CCOCF 7a_100000211209_100015361967 [0,0,0,0,1,0|3,0,0]=4 1585 B11R1.180 O=C1CCCN1CCSCF 62a_100000739059_100015361967 [0,0,0,0,1,0|3,0,0]=4 1586 B11R1.180 O=C1CCCN1CCSCF 62a_100015361967_100000739059 [0,0,0,0,1,0|3,0,0]=4 1587 B11R1.180 O=C1CCCN1CSCCF 62a_100000026320_100011217306 [0,0,0,0,1,0|3,0,0]=4 1588 B11R1.180 O=C1CCCN1CSCCF 62a_100011217306_100000026320 [0,0,0,0,1,0|3,0,0]=4 1589 B11R1.180 O=C1CCCN1CSCCO 62a_100000026320_100000211926 [0,0,0,0,1,0|3,0,0]=4 1590 B11R1.180 O=C1CCCN1CSCCO 62a_100000211926_100000026320 [0,0,0,0,1,0|3,0,0]=4 1591 B11R1.180 O=C1NCCC1COCCF 34a_100000133458_100011217306 [0,0,0,0,1,0|3,0,0]=4 1592 B11R1.180 O=C1NCCC1COCCO 34a_100000133458_100000211926 [0,0,0,0,1,0|3,0,0]=4 1593 B11R1.180 O=C1NCCC1NCCCF 2230a_100016995588_100011934791 [0,0,0,0,1,0|3,0,0]=4 1594 B11R1.180 O=C1NCCC1NCCCF 34a_100016995588_100011934791 [0,0,0,0,1,0|3,0,0]=4 1595 B11R1.180 O=C1NCCC1NCCCO 2230a_100016995588_100000230001 [0,0,0,0,1,0|3,0,0]=4 1596 B11R1.180 O=C1NCCC1NCCCO 34a_100016995588_100000230001 [0,0,0,0,1,0|3,0,0]=4 1597 B11R1.180 O=C1NCC[C@@H]1OCCCF 34a_100000688343_100011934791 [0,0,0,0,1,0|3,0,0]=4 1598 B11R1.180 O=C1NCC[C@@H]1OCCCO 34a_100000688343_100000230001 [0,0,0,0,1,0|3,0,0]=4 1599 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [0,0,0,0,1,0|3,0,0]=4 1600 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [0,0,0,0,1,0|3,0,0]=4 1601 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [0,0,0,0,1,0|3,0,0]=4 1602 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [0,0,0,0,1,0|3,0,0]=4 1603 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [0,0,0,0,1,0|3,0,0]=4 1604 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [0,0,0,0,1,0|3,0,0]=4 1605 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [0,0,0,0,1,0|3,0,0]=4 1606 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,0,0,0,1,0|3,0,0]=4 1607 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,0,0,0,1,0|3,0,0]=4 1608 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [0,0,0,0,1,0|2,0,0]=3 1609 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [0,0,0,0,1,0|2,0,0]=3 1610 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [0,0,0,0,1,0|2,0,0]=3 1611 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [0,0,0,0,1,0|2,0,0]=3 1612 B13R1.1148 CCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210326 [0,0,0,0,0,1|2,0,0]=3 1613 B13R1.1148 CCOCCN1CCCNC(=O)C1 2230a_100015190381_100011215890 [0,0,0,0,0,1|3,0,0]=4 1614 B13R1.1148 CCSCCN1CCCNC(=O)C1 2230a_100015190381_100000757381 [0,0,0,0,0,1|3,0,0]=4 1615 B13R1.1148 COCCCN1CCCNC(=O)C1 2230a_100015190381_100000740836 [0,0,0,0,0,1|3,0,0]=4 1616 B13R1.1148 O=C1CN(CCCN1)CCCCF 2230a_100015190381_100000729493 [0,0,0,0,0,1|3,0,0]=4 1617 B13R1.1148 O=C1CN(CCCN1)CCCCO 2230a_100015190381_100000210776 [0,0,0,0,0,1|3,0,0]=4 1618 B13R1.1149 CCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210326 [0,0,0,0,0,1|3,0,0]=4 1619 B13R1.1149 CCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210215 [0,0,0,0,0,1|3,0,0]=4 1620 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [1,0,1,0,0,0|0,0,2]=4 1621 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [1,0,1,0,0,0|0,0,2]=4 1622 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [1,0,1,0,0,0|0,0,2]=4 1623 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [1,0,1,0,0,0|0,0,2]=4 1624 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,0,1,0,0,0|0,0,2]=4 1625 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,0,1,0,0,0|0,0,2]=4 1626 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,0,1,0,0,0|0,0,2]=4 1627 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,0,1,0,0,0|0,0,2]=4 1628 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [1,0,1,0,0,0|0,0,2]=4 1629 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,0,1,0,0,0|0,0,2]=4 1630 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,0,1,0,0,0|0,0,2]=4 1631 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,0,1,0,0,0|0,0,2]=4 1632 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [1,0,1,0,0,0|1,0,1]=4 1633 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,0,1,0,0,0|1,0,0]=3 1634 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,0,1,0,0,0|1,0,0]=3 1635 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,0,1,0,0,0|1,0,0]=3 1636 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,0,1,0,0,0|1,0,0]=3 1637 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,0,1,0,0,0|1,0,0]=3 1638 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,0,1,0,0,0|2,0,0]=4 1639 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,0,1,0,0,0|2,0,0]=4 1640 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [1,0,1,0,0,0|2,0,0]=4 1641 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [1,0,1,0,0,0|2,0,0]=4 1642 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [1,0,1,0,0,0|2,0,0]=4 1643 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [1,0,1,0,0,0|2,0,0]=4 1644 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [1,0,1,0,0,0|2,0,0]=4 1645 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [1,0,1,0,0,0|2,0,0]=4 1646 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [1,0,1,0,0,0|2,0,0]=4 1647 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [1,0,1,0,0,0|2,0,0]=4 1648 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [1,0,1,0,0,0|2,0,0]=4 1649 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [1,0,1,0,0,0|2,0,0]=4 1650 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [1,0,1,0,0,0|2,0,0]=4 1651 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [1,0,1,0,0,0|2,0,0]=4 1652 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [1,0,1,0,0,0|2,0,0]=4 1653 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [1,0,1,0,0,0|2,0,0]=4 1654 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [1,0,1,0,0,0|2,0,0]=4 1655 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [1,0,1,0,0,0|2,0,0]=4 1656 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [1,0,1,0,0,0|2,0,0]=4 1657 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [1,0,1,0,0,0|2,0,0]=4 1658 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [1,0,1,0,0,0|2,0,0]=4 1659 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [1,0,1,0,0,0|2,0,0]=4 1660 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [1,0,1,0,0,0|2,0,0]=4 1661 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [1,0,1,0,0,0|2,0,0]=4 1662 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [1,0,1,0,0,0|2,0,0]=4 1663 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [1,0,1,0,0,0|2,0,0]=4 1664 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,0,1,0,0,0|2,0,0]=4 1665 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,0,1,0,0,0|2,0,0]=4 1666 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,0,1,0,0,0|2,0,0]=4 1667 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,0,1,0,0,0|2,0,0]=4 1668 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 1669 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 1670 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 1671 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [1,0,1,0,0,0|2,0,0]=4 1672 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [1,0,1,0,0,0|2,0,0]=4 1673 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [1,0,1,0,0,0|2,0,0]=4 1674 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [1,0,1,0,0,0|2,0,0]=4 1675 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [1,0,1,0,0,0|2,0,0]=4 1676 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [1,0,1,0,0,0|2,0,0]=4 1677 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [1,0,1,0,0,0|2,0,0]=4 1678 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [1,0,1,0,0,0|2,0,0]=4 1679 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [1,0,1,0,0,0|2,0,0]=4 1680 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [1,0,1,0,0,0|2,0,0]=4 1681 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [1,0,1,0,0,0|0,0,2]=4 1682 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [1,0,1,0,0,0|1,0,1]=4 1683 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [1,0,1,0,0,0|1,0,1]=4 1684 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,0,1,0,0,0|0,0,0]=2 1685 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,0,1,0,0,0|0,0,0]=2 1686 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,0,1,0,0,0|1,0,0]=3 1687 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,0,1,0,0,0|1,0,0]=3 1688 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,0,1,0,0,0|1,0,0]=3 1689 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,0,1,0,0,0|1,0,0]=3 1690 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,0,1,0,0,0|1,0,0]=3 1691 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,0,1,0,0,0|1,0,0]=3 1692 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,0,1,0,0,0|1,0,0]=3 1693 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,0,1,0,0,0|1,0,0]=3 1694 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [1,0,1,0,0,0|2,0,0]=4 1695 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [1,0,1,0,0,0|2,0,0]=4 1696 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [1,0,1,0,0,0|2,0,0]=4 1697 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [1,0,1,0,0,0|2,0,0]=4 1698 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [1,0,1,0,0,0|2,0,0]=4 1699 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,0,1,0,0,0|1,0,0]=3 1700 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,0,1,0,0,0|1,0,0]=3 1701 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,0,1,0,0,0|1,0,0]=3 1702 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,0,1,0,0,0|1,0,0]=3 1703 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,0,1,0,0,0|2,0,0]=4 1704 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [1,0,1,0,0,0|2,0,0]=4 1705 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [1,0,1,0,0,0|2,0,0]=4 1706 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [1,0,1,0,0,0|2,0,0]=4 1707 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,0,1,0,0,0|2,0,0]=4 1708 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,0,1,0,0,0|2,0,0]=4 1709 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,0,1,0,0,0|2,0,0]=4 1710 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,0,1,0,0,0|2,0,0]=4 1711 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,0,1,0,0,0|2,0,0]=4 1712 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [1,0,1,0,0,0|2,0,0]=4 1713 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [1,0,1,0,0,0|2,0,0]=4 1714 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [1,0,1,0,0,0|2,0,0]=4 1715 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [1,0,1,0,0,0|2,0,0]=4 1716 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [1,0,1,0,0,0|2,0,0]=4 1717 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [1,0,1,0,0,0|2,0,0]=4 1718 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [1,0,1,0,0,0|2,0,0]=4 1719 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [1,0,1,0,0,0|2,0,0]=4 1720 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,0,1,0,0,0|2,0,0]=4 1721 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,0,1,0,0,0|2,0,0]=4 1722 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,0,1,0,0,0|2,0,0]=4 1723 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,0,1,0,0,0|2,0,0]=4 1724 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,0,1,0,0,0|2,0,0]=4 1725 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,0,1,0,0,0|2,0,0]=4 1726 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [1,0,1,0,0,0|1,0,1]=4 1727 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [1,0,1,0,0,0|1,0,1]=4 1728 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [1,0,1,0,0,0|1,0,1]=4 1729 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [1,0,1,0,0,0|1,0,1]=4 1730 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,0,1,0,0,0|1,0,0]=3 1731 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,0,1,0,0,0|1,0,0]=3 1732 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [1,0,1,0,0,0|2,0,0]=4 1733 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [1,0,1,0,0,0|2,0,0]=4 1734 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [1,0,1,0,0,0|2,0,0]=4 1735 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,0,1,0,0,0|2,0,0]=4 1736 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,0,1,0,0,0|2,0,0]=4 1737 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [1,0,1,0,0,0|2,0,0]=4 1738 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,0,1,0,0,0|1,0,0]=3 1739 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,0,1,0,0,0|1,0,0]=3 1740 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,0,1,0,0,0|1,0,0]=3 1741 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [1,0,1,0,0,0|2,0,0]=4 1742 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [1,0,1,0,0,0|2,0,0]=4 1743 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [1,0,1,0,0,0|2,0,0]=4 1744 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [1,0,1,0,0,0|2,0,0]=4 1745 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [1,0,1,0,0,0|2,0,0]=4 1746 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [1,0,1,0,0,0|2,0,0]=4 1747 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [1,0,1,0,0,0|2,0,0]=4 1748 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [1,0,1,0,0,0|2,0,0]=4 1749 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [1,0,1,0,0,0|2,0,0]=4 1750 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [1,0,1,0,0,0|2,0,0]=4 1751 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,0,1,0,0,0|2,0,0]=4 1752 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,0,1,0,0,0|2,0,0]=4 1753 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,0,1,0,0,0|1,0,0]=3 1754 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,0,1,0,0,0|1,0,0]=3 1755 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,0,1,0,0,0|1,0,0]=3 1756 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [1,0,1,0,0,0|2,0,0]=4 1757 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [1,0,1,0,0,0|2,0,0]=4 1758 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [1,0,1,0,0,0|2,0,0]=4 1759 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [1,0,1,0,0,0|2,0,0]=4 1760 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [1,0,1,0,0,0|2,0,0]=4 1761 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [1,0,1,0,0,0|2,0,0]=4 1762 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [1,0,1,0,0,0|2,0,0]=4 1763 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,0,1,0,0,0|2,0,0]=4 1764 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,0,1,0,0,0|2,0,0]=4 1765 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,0,1,0,0,0|2,0,0]=4 1766 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,0,1,0,0,0|1,0,0]=3 1767 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,0,1,0,0,0|2,0,0]=4 1768 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [1,0,1,0,0,0|2,0,0]=4 1769 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [1,0,1,0,0,0|2,0,0]=4 1770 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,0,1,0,0,0|2,0,0]=4 1771 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [1,0,1,0,0,0|1,0,0]=3 1772 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,0,1,0,0,0|2,0,0]=4 1773 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,0,1,0,0,0|2,0,0]=4 1774 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,0,1,0,0,0|2,0,0]=4 1775 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,0,1,0,0,0|2,0,0]=4 1776 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [1,0,1,0,0,0|1,0,0]=3 1777 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,0,1,0,0,0|2,0,0]=4 1778 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,0,1,0,0,0|2,0,0]=4 1779 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,0,1,0,0,0|2,0,0]=4 1780 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,0,1,0,0,0|2,0,0]=4 1781 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,0,1,0,0,0|2,0,0]=4 1782 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,0,1,0,0,0|2,0,0]=4 1783 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,0,1,0,0,0|2,0,0]=4 1784 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,0,1,0,0,0|2,0,0]=4 1785 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,0,1,0,0,0|2,0,0]=4 1786 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,0,1,0,0,0|2,0,0]=4 1787 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,0,1,0,0,0|2,0,0]=4 1788 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,0,1,0,0,0|2,0,0]=4 1789 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,0,1,0,0,0|2,0,0]=4 1790 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,0,1,0,0,0|2,0,0]=4 1791 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,0,1,0,0,0|2,0,0]=4 1792 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,0,1,0,0,0|2,0,0]=4 1793 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,0,1,0,0,0|2,0,0]=4 1794 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,0,1,0,0,0|2,0,0]=4 1795 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [1,0,1,0,0,0|2,0,0]=4 1796 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [1,0,1,0,0,0|2,0,0]=4 1797 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [1,0,1,0,0,0|2,0,0]=4 1798 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [1,0,1,0,0,0|2,0,0]=4 1799 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [1,0,1,0,0,0|2,0,0]=4 1800 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [1,0,1,0,0,0|2,0,0]=4 1801 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [1,0,1,0,0,0|2,0,0]=4 1802 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [1,0,1,0,0,0|2,0,0]=4 1803 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [1,0,1,0,0,0|2,0,0]=4 1804 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [1,0,1,0,0,0|2,0,0]=4 1805 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [1,0,1,0,0,0|2,0,0]=4 1806 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [1,0,1,0,0,0|2,0,0]=4 1807 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [1,0,1,0,0,0|2,0,0]=4 1808 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [1,0,1,0,0,0|2,0,0]=4 1809 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [1,0,1,0,0,0|2,0,0]=4 1810 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [1,0,1,0,0,0|2,0,0]=4 1811 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [1,0,1,0,0,0|2,0,0]=4 1812 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [1,0,1,0,0,0|2,0,0]=4 1813 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [1,0,1,0,0,0|2,0,0]=4 1814 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,0,1,0,0,0|2,0,0]=4 1815 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,0,1,0,0,0|2,0,0]=4 1816 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,0,1,0,0,0|2,0,0]=4 1817 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,1,0,0,0|2,0,0]=4 1818 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,1,0,0,0|2,0,0]=4 1819 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,1,0,0,0|2,0,0]=4 1820 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,1,0,0,0|2,0,0]=4 1821 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,1,0,0,0|2,0,0]=4 1822 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,0,1,0,0,0|2,0,0]=4 1823 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,0,1,0,0,0|2,0,0]=4 1824 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,0,1,0,0,0|2,0,0]=4 1825 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,0,1,0,0,0|2,0,0]=4 1826 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,1,0,0,0|2,0,0]=4 1827 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,1,0,0,0|2,0,0]=4 1828 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,1,0,0,0|2,0,0]=4 1829 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,1,0,0,0|2,0,0]=4 1830 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,1,0,0,0|2,0,0]=4 1831 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,1,0,0,0|2,0,0]=4 1832 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,1,0,0,0|2,0,0]=4 1833 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,1,0,0,0|2,0,0]=4 1834 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,1,0,0,0|2,0,0]=4 1835 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,0,1,0,0,0|2,0,0]=4 1836 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,0,1,0,0,0|2,0,0]=4 1837 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,0,1,0,0,0|2,0,0]=4 1838 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,0,1,0,0,0|2,0,0]=4 1839 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,0,1,0,0,0|2,0,0]=4 1840 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,0,1,0,0,0|2,0,0]=4 1841 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,1,0,0,0|2,0,0]=4 1842 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,1,0,0,0|2,0,0]=4 1843 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,1,0,0,0|2,0,0]=4 1844 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,1,0,0,0|2,0,0]=4 1845 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,0,1,0,0,0|2,0,0]=4 1846 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,0,1,0,0,0|2,0,0]=4 1847 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,1,0,0,0|2,0,0]=4 1848 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,1,0,0,0|2,0,0]=4 1849 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,1,0,0,0|2,0,0]=4 1850 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,1,0,0,0|2,0,0]=4 1851 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,1,0,0,0|2,0,0]=4 1852 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,1,0,0,0|2,0,0]=4 1853 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,1,0,0,0|2,0,0]=4 1854 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,1,0,0,0|2,0,0]=4 1855 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,1,0,0,0|2,0,0]=4 1856 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,1,0,0,0|2,0,0]=4 1857 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,1,0,0,0|2,0,0]=4 1858 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,1,0,0,0|2,0,0]=4 1859 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,1,0,0,0|2,0,0]=4 1860 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,1,0,0,0|2,0,0]=4 1861 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,1,0,0,0|2,0,0]=4 1862 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,1,0,0,0|2,0,0]=4 1863 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,1,0,0,0|2,0,0]=4 1864 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,1,0,0,0|2,0,0]=4 1865 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,1,0,0,0|2,0,0]=4 1866 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,1,0,0,0|2,0,0]=4 1867 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,1,0,0,0|2,0,0]=4 1868 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,1,0,0,0|2,0,0]=4 1869 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,1,0,0,0|2,0,0]=4 1870 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,0,1,0,0,0|2,0,0]=4 1871 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,0,1,0,0,0|2,0,0]=4 1872 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [1,0,1,0,0,0|2,0,0]=4 1873 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,0,1,0,0,0|2,0,0]=4 1874 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,0,1,0,0,0|2,0,0]=4 1875 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,0,1,0,0,0|2,0,0]=4 1876 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,0,1,0,0,0|2,0,0]=4 1877 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,1,0,0,0|2,0,0]=4 1878 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,1,0,0,0|2,0,0]=4 1879 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,1,0,0,0|2,0,0]=4 1880 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,1,0,0,0|2,0,0]=4 1881 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,1,0,0,0|2,0,0]=4 1882 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,1,0,0,0|2,0,0]=4 1883 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,1,0,0,0|2,0,0]=4 1884 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,1,0,0,0|2,0,0]=4 1885 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,1,0,0,0|2,0,0]=4 1886 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,1,0,0,0|2,0,0]=4 1887 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,1,0,0,0|2,0,0]=4 1888 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,1,0,0,0|2,0,0]=4 1889 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,1,0,0,0|2,0,0]=4 1890 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,1,0,0,0|2,0,0]=4 1891 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,1,0,0,0|1,0,0]=3 1892 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,1,0,0,0|2,0,0]=4 1893 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,0,1,0,0,0|1,0,1]=4 1894 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,0,1,0,0,0|1,0,1]=4 1895 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,0,1,0,0,0|1,0,1]=4 1896 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,1,0,0,0|1,0,0]=3 1897 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,1,0,0,0|1,0,0]=3 1898 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,1,0,0,0|2,0,0]=4 1899 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,1,0,0,0|2,0,0]=4 1900 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,1,0,0,0|2,0,0]=4 1901 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,0,1,0,0,0|1,0,1]=4 1902 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,0,1,0,0,0|1,0,1]=4 1903 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,1,0,0,0|1,0,0]=3 1904 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,1,0,0,0|1,0,0]=3 1905 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,1,0,0,0|2,0,0]=4 1906 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,1,0,0,0|2,0,0]=4 1907 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,0,1,0,0,0|1,0,1]=4 1908 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,0,1,0,0,0|1,0,1]=4 1909 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,1,0,0,0|1,0,1]=4 1910 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,1,0,0,0|1,0,1]=4 1911 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,1,0,0,0|1,0,1]=4 1912 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,0,1,0,0,0|1,0,1]=4 1913 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,0,1,0,0,0|1,0,1]=4 1914 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,1,0,0,0|0,0,1]=3 1915 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,1,0,0,0|0,0,1]=3 1916 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,1,0,0,0|0,0,1]=3 1917 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,1,0,0,0|0,0,1]=3 1918 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,0,1,0,0,0|1,0,1]=4 1919 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,0,1,0,0,0|1,0,1]=4 1920 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,0,1,0,0,0|1,0,1]=4 1921 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,0,1,0,0,0|1,0,1]=4 1922 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,0,1,0,0,0|1,0,1]=4 1923 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,0,1,0,0,0|1,0,1]=4 1924 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,0,1,0,0,0|1,0,1]=4 1925 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,1,0,0,0|1,0,1]=4 1926 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,1,0,0,0|1,0,1]=4 1927 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,1,0,0,0|1,0,1]=4 1928 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,1,0,0,0|1,0,1]=4 1929 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,1,0,0,0|1,0,1]=4 1930 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,1,0,0,0|1,0,1]=4 1931 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,1,0,0,0|1,0,1]=4 1932 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,0,1,0,0,0|1,0,1]=4 1933 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,0,1,0,0,0|1,0,1]=4 1934 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,0,1,0,0,0|1,0,1]=4 1935 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,0,1,0,0,0|1,0,1]=4 1936 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,1,0,0,0|0,1,1]=4 1937 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,1,0,0,0|0,1,1]=4 1938 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,0,1,0,0,0|1,0,1]=4 1939 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,0,1,0,0,0|1,0,1]=4 1940 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,1,0,0,0|1,0,0]=3 1941 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,0,1,0,0,0|1,0,1]=4 1942 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,0,1,0,0,0|1,0,1]=4 1943 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,0,1,0,0,0|1,0,1]=4 1944 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,1,0,0,0|1,0,0]=3 1945 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,0,1,0,0,0|1,0,1]=4 1946 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,0,1,0,0,0|1,0,1]=4 1947 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,1,0,0,0|1,0,0]=3 1948 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,1,0,0,0|1,0,0]=3 1949 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,0,1,0,0,0|1,0,1]=4 1950 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,0,1,0,0,0|1,0,1]=4 1951 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,1,0,0,0|1,0,0]=3 1952 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,1,0,0,0|1,0,0]=3 1953 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,0,1,0,0,0|1,0,1]=4 1954 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,0,1,0,0,0|1,0,1]=4 1955 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,0,1,0,0,0|1,0,1]=4 1956 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,0,1,0,0,0|1,0,1]=4 1957 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [1,0,1,0,0,0|1,0,1]=4 1958 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,1,0,0,0|1,0,0]=3 1959 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,0,1,0,0,0|1,0,1]=4 1960 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,0,1,0,0,0|1,0,1]=4 1961 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,0,1,0,0,0|1,0,1]=4 1962 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,0,1,0,0,0|1,0,1]=4 1963 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,0,1,0,0,0|1,0,1]=4 1964 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,0,1,0,0,0|1,0,1]=4 1965 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,0,1,0,0,0|1,0,1]=4 1966 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,0,1,0,0,0|1,0,1]=4 1967 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,0,1,0,0,0|1,0,1]=4 1968 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,0,1,0,0,0|1,0,1]=4 1969 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,0,1,0,0,0|1,0,1]=4 1970 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,0,1,0,0,0|1,0,1]=4 1971 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,0,1,0,0,0|1,0,1]=4 1972 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,0,1,0,0,0|1,0,1]=4 1973 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,0,1,0,0,0|1,0,1]=4 1974 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,0,1,0,0,0|1,0,1]=4 1975 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,0,1,0,0,0|1,0,1]=4 1976 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,0,1,0,0,0|1,0,1]=4 1977 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,0,1,0,0,0|1,0,1]=4 1978 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,0,1,0,0,0|1,0,1]=4 1979 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,0,1,0,0,0|1,0,1]=4 1980 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,0,1,0,0,0|1,0,1]=4 1981 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,0,1,0,0,0|1,0,1]=4 1982 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,0,1,0,0,0|1,0,1]=4 1983 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,0,1,0,0,0|1,0,1]=4 1984 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,0,1,0,0,0|1,0,1]=4 1985 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,0,1,0,0,0|1,0,1]=4 1986 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,0,1,0,0,0|1,0,1]=4 1987 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,0,1,0,0,0|1,0,1]=4 1988 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,0,1,0,0,0|1,0,1]=4 1989 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,0,1,0,0,0|2,0,0]=4 1990 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,0,1,0,0,0|2,0,0]=4 1991 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,0,1,0,0,0|1,0,1]=4 1992 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,0,1,0,0,0|1,0,1]=4 1993 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,0,1,0,0,0|1,0,1]=4 1994 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,0,1,0,0,0|1,0,1]=4 1995 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,0,1,0,0,0|1,0,1]=4 1996 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,0,1,0,0,0|1,0,1]=4 1997 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,0,1,0,0,0|1,0,1]=4 1998 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,0,1,0,0,0|2,0,0]=4 1999 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,0,1,0,0,0|2,0,0]=4 2000 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,0,1,0,0,0|1,0,1]=4 2001 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,0,1,0,0,0|1,0,1]=4 2002 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,0,1,0,0,0|1,0,1]=4 2003 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,0,1,0,0,0|1,0,1]=4 2004 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [1,0,1,0,0,0|1,0,1]=4 2005 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [1,0,1,0,0,0|1,0,1]=4 2006 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [1,0,1,0,0,0|1,0,1]=4 2007 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,1,0,0,0|1,0,0]=3 2008 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,1,0,0,0|1,0,0]=3 2009 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,0,1,0,0,0|1,0,1]=4 2010 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,0,1,0,0,0|1,0,1]=4 2011 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,0,1,0,0,0|2,0,0]=4 2012 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,0,1,0,0,0|2,0,0]=4 2013 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,0,1,0,0,0|2,0,0]=4 2014 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,0,1,0,0,0|1,0,1]=4 2015 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,0,1,0,0,0|1,0,1]=4 2016 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,0,1,0,0,0|1,0,1]=4 2017 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,0,1,0,0,0|2,0,0]=4 2018 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,0,1,0,0,0|2,0,0]=4 2019 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,1,0,0,0|1,0,0]=3 2020 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,1,0,0,0|1,0,0]=3 2021 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,0,1,0,0,0|1,0,1]=4 2022 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,0,1,0,0,0|1,0,1]=4 2023 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,0,1,0,0,0|1,0,1]=4 2024 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,0,1,0,0,0|1,0,1]=4 2025 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,0,1,0,0,0|1,0,1]=4 2026 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,0,1,0,0,0|1,0,1]=4 2027 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,0,1,0,0,0|2,0,0]=4 2028 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,0,1,0,0,0|2,0,0]=4 2029 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,0,1,0,0,0|2,0,0]=4 2030 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,0,1,0,0,0|2,0,0]=4 2031 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [1,0,1,0,0,0|2,0,0]=4 2032 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [1,0,1,0,0,0|2,0,0]=4 2033 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,0,1,0,0,0|1,0,1]=4 2034 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,0,1,0,0,0|1,0,1]=4 2035 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,0,1,0,0,0|2,0,0]=4 2036 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,0,1,0,0,0|2,0,0]=4 2037 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,0,1,0,0,0|2,0,0]=4 2038 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,0,1,0,0,0|2,0,0]=4 2039 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,1,0,0,0|1,0,1]=4 2040 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,1,0,0,0|1,0,1]=4 2041 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,1,0,0,0|1,0,1]=4 2042 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,1,0,0,0|1,0,1]=4 2043 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,1,0,0,0|1,0,1]=4 2044 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,0,1,0,0,0|2,0,0]=4 2045 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,1,0,0,0|1,0,1]=4 2046 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,0,1,0,0,0|2,0,0]=4 2047 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,0,1,0,0,0|2,0,0]=4 2048 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,0,1,0,0,0|2,0,0]=4 2049 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,0,1,0,0,0|2,0,0]=4 2050 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,0,1,0,0,0|2,0,0]=4 2051 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,0,1,0,0,0|2,0,0]=4 2052 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,0,1,0,0,0|2,0,0]=4 2053 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [1,0,1,0,0,0|2,0,0]=4 2054 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [1,0,1,0,0,0|2,0,0]=4 2055 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,1,0,0,0|1,0,1]=4 2056 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,1,0,0,0|1,0,1]=4 2057 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,0,1,0,0,0|2,0,0]=4 2058 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,0,1,0,0,0|2,0,0]=4 2059 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [1,0,1,0,0,0|2,0,0]=4 2060 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,0,1,0,0,0|2,0,0]=4 2061 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [1,0,1,0,0,0|2,0,0]=4 2062 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [1,0,1,0,0,0|2,0,0]=4 2063 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [1,0,1,0,0,0|2,0,0]=4 2064 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [1,0,1,0,0,0|2,0,0]=4 2065 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,0,1,0,0,0|2,0,0]=4 2066 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,0,1,0,0,0|2,0,0]=4 2067 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [1,0,1,0,0,0|2,0,0]=4 2068 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [1,0,1,0,0,0|2,0,0]=4 2069 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,0,1,0,0,0|2,0,0]=4 2070 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,0,1,0,0,0|2,0,0]=4 2071 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [1,0,1,0,0,0|2,0,0]=4 2072 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [1,0,1,0,0,0|2,0,0]=4 2073 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [1,0,1,0,0,0|2,0,0]=4 2074 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,0,1,0,0,0|2,0,0]=4 2075 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,0,1,0,0,0|2,0,0]=4 2076 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,0,1,0,0,0|2,0,0]=4 2077 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,0,1,0,0,0|2,0,0]=4 2078 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,0,1,0,0,0|2,0,0]=4 2079 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,0,1,0,0,0|2,0,0]=4 2080 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,0,1,0,0,0|2,0,0]=4 2081 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,0,1,0,0,0|2,0,0]=4 2082 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,0,1,0,0,0|2,0,0]=4 2083 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,0,1,0,0,0|2,0,0]=4 2084 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,0,1,0,0,0|2,0,0]=4 2085 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,0,1,0,0,0|2,0,0]=4 2086 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,0,1,0,0,0|2,0,0]=4 2087 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,0,1,0,0,0|2,0,0]=4 2088 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,0,1,0,0,0|2,0,0]=4 2089 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,0,1,0,0,0|2,0,0]=4 2090 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,0,1,0,0,0|2,0,0]=4 2091 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,0,1,0,0,0|2,0,0]=4 2092 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,0,1,0,0,0|2,0,0]=4 2093 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,0,1,0,0,0|2,0,0]=4 2094 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,0,1,0,0,0|2,0,0]=4 2095 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,1,0,0,0|1,0,1]=4 2096 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,1,0,0,0|1,0,1]=4 2097 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,1,0,0,0|1,0,1]=4 2098 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,1,0,0,0|1,0,1]=4 2099 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [1,0,1,0,0,0|2,0,0]=4 2100 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,0,1,0,0,0|2,0,0]=4 2101 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,0,1,0,0,0|2,0,0]=4 2102 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,0,1,0,0,0|2,0,0]=4 2103 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [1,0,1,0,0,0|2,0,0]=4 2104 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [1,0,1,0,0,0|2,0,0]=4 2105 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [1,0,1,0,0,0|2,0,0]=4 2106 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [1,0,1,0,0,0|1,0,1]=4 2107 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,0,1,0,0,0|1,0,1]=4 2108 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,0,1,0,0,0|1,0,0]=3 2109 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,0,1,0,0,0|1,0,0]=3 2110 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,0,1,0,0,0|2,0,0]=4 2111 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,0,1,0,0,0|2,0,0]=4 2112 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,0,1,0,0,0|2,0,0]=4 2113 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,0,1,0,0,0|2,0,0]=4 2114 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,0,1,0,0,0|2,0,0]=4 2115 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,0,1,0,0,0|2,0,0]=4 2116 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,0,1,0,0,0|1,0,0]=3 2117 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,0,1,0,0,0|1,0,0]=3 2118 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,0,1,0,0,0|1,0,0]=3 2119 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,0,1,0,0,0|1,0,0]=3 2120 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,0,1,0,0,0|2,0,0]=4 2121 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,0,1,0,0,0|2,0,0]=4 2122 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [1,0,1,0,0,0|2,0,0]=4 2123 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [1,0,1,0,0,0|2,0,0]=4 2124 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [1,0,1,0,0,0|2,0,0]=4 2125 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [1,0,1,0,0,0|2,0,0]=4 2126 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [1,0,1,0,0,0|2,0,0]=4 2127 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [1,0,1,0,0,0|2,0,0]=4 2128 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [1,0,1,0,0,0|1,0,1]=4 2129 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [1,0,1,0,0,0|1,0,1]=4 2130 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [1,0,1,0,0,0|1,0,1]=4 2131 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [1,0,1,0,0,0|2,0,0]=4 2132 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [1,0,1,0,0,0|2,0,0]=4 2133 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [1,0,1,0,0,0|2,0,0]=4 2134 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [1,0,1,0,0,0|2,0,0]=4 2135 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [1,0,1,0,0,0|2,0,0]=4 2136 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [1,0,1,0,0,0|2,0,0]=4 2137 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [1,0,1,0,0,0|2,0,0]=4 2138 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [1,0,1,0,0,0|2,0,0]=4 2139 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [1,0,1,0,0,0|2,0,0]=4 2140 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [1,0,1,0,0,0|2,0,0]=4 2141 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [1,0,1,0,0,0|2,0,0]=4 2142 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [1,0,1,0,0,0|2,0,0]=4 2143 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [1,0,1,0,0,0|2,0,0]=4 2144 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [1,0,1,0,0,0|1,0,0]=3 2145 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [1,0,1,0,0,0|2,0,0]=4 2146 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [1,0,1,0,0,0|2,0,0]=4 2147 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [1,0,1,0,0,0|2,0,0]=4 2148 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [1,0,1,0,0,0|2,0,0]=4 2149 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [1,0,1,0,0,0|2,0,0]=4 2150 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [1,0,1,0,0,0|2,0,0]=4 2151 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [1,0,1,0,0,0|2,0,0]=4 2152 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [1,0,1,0,0,0|2,0,0]=4 2153 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [1,0,1,0,0,0|2,0,0]=4 2154 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [1,0,1,0,0,0|2,0,0]=4 2155 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [1,0,1,0,0,0|2,0,0]=4 2156 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [1,0,1,0,0,0|2,0,0]=4 2157 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [1,0,1,0,0,0|2,0,0]=4 2158 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [1,0,1,0,0,0|2,0,0]=4 2159 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [1,0,1,0,0,0|2,0,0]=4 2160 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,0,1,0,0,0|1,0,0]=3 2161 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,0,1,0,0,0|1,0,0]=3 2162 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,0,1,0,0,0|1,0,0]=3 2163 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,0,1,0,0,0|1,0,0]=3 2164 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [1,0,1,0,0,0|1,0,1]=4 2165 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [1,0,1,0,0,0|1,0,1]=4 2166 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [1,0,1,0,0,0|1,0,1]=4 2167 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [1,0,1,0,0,0|1,0,0]=3 2168 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [1,0,1,0,0,0|1,0,0]=3 2169 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [1,0,1,0,0,0|2,0,0]=4 2170 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [1,0,1,0,0,0|2,0,0]=4 2171 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [1,0,1,0,0,0|2,0,0]=4 2172 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [1,0,1,0,0,0|2,0,0]=4 2173 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [1,0,1,0,0,0|2,0,0]=4 2174 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [1,0,1,0,0,0|2,0,0]=4 2175 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [1,0,1,0,0,0|2,0,0]=4 2176 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [1,0,1,0,0,0|2,0,0]=4 2177 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [1,0,1,0,0,0|2,0,0]=4 2178 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [1,0,1,0,0,0|2,0,0]=4 2179 B10R0.24 CCCCCC(CC)NCC 270004a_100015525214_100011215316 [1,0,1,0,0,0|1,0,1]=4 2180 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [1,0,1,0,0,0|0,0,1]=3 2181 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [1,0,1,0,0,0|0,0,1]=3 2182 B10R0.24 CCCCCC(CC)OCF 34a_100011215405_100015361967 [1,0,1,0,0,0|1,0,1]=4 2183 B10R0.24 CCCCCC(CC)OCF 7a_100011215405_100015361967 [1,0,1,0,0,0|1,0,1]=4 2184 B10R0.24 CCCCCC(CCC)NC 270004a_106832991635_200011216343 [1,0,1,0,0,0|1,0,1]=4 2185 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [1,0,1,0,0,0|0,0,1]=3 2186 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [1,0,1,0,0,0|0,0,1]=3 2187 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [1,0,1,0,0,0|0,0,1]=3 2188 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [1,0,1,0,0,0|0,0,1]=3 2189 B10R0.24 CCCNCC(CC)OCC 2230a_100015183923_100000210303 [1,0,1,0,0,0|1,0,1]=4 2190 B10R0.24 CCCNCC(CC)OCC 34a_100015183923_100000210303 [1,0,1,0,0,0|1,0,1]=4 2191 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [1,0,1,0,0,0|1,0,0]=3 2192 B10R0.87 CCCCC(CC)OC(C)C 34a_100000212225_200011216223 [1,0,1,0,0,0|1,0,1]=4 2193 B10R0.87 CCCCC(CC)OC(C)C 34a_100011215227_100000210206 [1,0,1,0,0,0|1,0,1]=4 2194 B10R0.87 CCCCC(CC)OC(C)C 7a_100011215227_100000210206 [1,0,1,0,0,0|1,0,1]=4 2195 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [1,0,1,0,0,0|2,0,0]=4 2196 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [1,0,1,0,0,0|2,0,0]=4 2197 B10R0.90 CCCCC(CCC)OCC 34a_100011215800_100000210202 [1,0,1,0,0,0|1,0,1]=4 2198 B10R0.90 CCCCC(CCC)OCC 34a_100121572206_100000211913 [1,0,1,0,0,0|1,0,1]=4 2199 B10R0.90 CCCCC(CCC)OCC 7a_100011215800_100000210202 [1,0,1,0,0,0|1,0,1]=4 2200 B10R0.90 CCCCC(CCC)OCF 34a_100011215800_100015361967 [1,0,1,0,0,0|1,0,1]=4 2201 B10R0.90 CCCCC(CCC)OCF 7a_100011215800_100015361967 [1,0,1,0,0,0|1,0,1]=4 2202 B10R0.90 CCCCN(CC=O)CCC 2230a_200000207744_200015260668 [1,0,1,0,0,0|2,0,0]=4 2203 B10R0.90 CCCCN(CC=O)CCC 269982a_200000207744_200015260668 [1,0,1,0,0,0|2,0,0]=4 2204 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [1,0,1,0,0,0|2,0,0]=4 2205 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [1,0,1,0,0,0|2,0,0]=4 2206 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [1,0,1,0,0,0|2,0,0]=4 2207 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [1,0,1,0,0,0|1,0,1]=4 2208 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [1,0,1,0,0,0|1,0,1]=4 2209 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [1,0,1,0,0,0|2,0,0]=4 2210 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [1,0,1,0,0,0|2,0,0]=4 2211 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [1,0,1,0,0,0|1,0,1]=4 2212 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [1,0,1,0,0,0|0,0,1]=3 2213 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [1,0,1,0,0,0|0,0,1]=3 2214 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [1,0,1,0,0,0|0,0,1]=3 2215 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [1,0,1,0,0,0|1,0,1]=4 2216 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [1,0,1,0,0,0|1,0,1]=4 2217 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [1,0,1,0,0,0|1,0,1]=4 2218 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [1,0,1,0,0,0|1,0,1]=4 2219 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [1,0,1,0,0,0|1,0,1]=4 2220 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [1,0,1,0,0,0|1,0,1]=4 2221 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [1,0,1,0,0,0|2,0,0]=4 2222 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [1,0,1,0,0,0|2,0,0]=4 2223 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [1,0,1,0,0,0|0,1,1]=4 2224 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [1,0,1,0,0,0|0,1,1]=4 2225 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [1,0,1,0,0,0|2,0,0]=4 2226 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [1,0,1,0,0,0|2,0,0]=4 2227 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [1,0,1,0,0,0|2,0,0]=4 2228 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [1,0,1,0,0,0|1,0,1]=4 2229 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [1,0,1,0,0,0|1,0,1]=4 2230 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [1,0,1,0,0,0|1,0,1]=4 2231 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [1,0,1,0,0,0|1,0,1]=4 2232 B10R0.91 CCOCC(O)CNCC=O 2230a_102515437182_200015260668 [1,0,1,0,0,0|2,0,0]=4 2233 B10R0.91 CCOCC(O)CNCC=O 34a_102515437182_200009817547 [1,0,1,0,0,0|2,0,0]=4 2234 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,1,0,0,0|2,0,0]=4 2235 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,1,0,0,0|2,0,0]=4 2236 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,1,0,0,0|1,0,0]=3 2237 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,1,0,0,0|1,0,0]=3 2238 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,1,0,0,0|1,0,0]=3 2239 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,1,0,0,0|2,0,0]=4 2240 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,1,0,0,0|2,0,0]=4 2241 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,1,0,0,0|2,0,0]=4 2242 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,1,0,0,0|2,0,0]=4 2243 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,0,1,0,0,0|2,0,0]=4 2244 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,0,1,0,0,0|2,0,0]=4 2245 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,0,1,0,0,0|1,0,0]=3 2246 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,1,0,0,0|2,0,0]=4 2247 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,0,1,0,0,0|2,0,0]=4 2248 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,0,1,0,0,0|2,0,0]=4 2249 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,0,1,0,0,0|1,0,1]=4 2250 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,0,1,0,0,0|2,0,0]=4 2251 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,0,1,0,0,0|2,0,0]=4 2252 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,0,1,0,0,0|1,0,1]=4 2253 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,0,1,0,0,0|1,0,1]=4 2254 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,0,1,0,0,0|2,0,0]=4 2255 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,0,1,0,0,0|2,0,0]=4 2256 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,1,0,0,0|2,0,0]=4 2257 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,1,0,0,0|2,0,0]=4 2258 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,1,0,0,0|2,0,0]=4 2259 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,0,1,0,0,0|2,0,0]=4 2260 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,0,1,0,0,0|2,0,0]=4 2261 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,0,1,0,0,0|2,0,0]=4 2262 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,0,1,0,0,0|2,0,0]=4 2263 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,1,0,0,0|2,0,0]=4 2264 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,1,0,0,0|2,0,0]=4 2265 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,0,1,0,0,0|2,0,0]=4 2266 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,0,1,0,0,0|2,0,0]=4 2267 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,1,0,0,0|2,0,0]=4 2268 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,0,1,0,0,0|2,0,0]=4 2269 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,0,1,0,0,0|2,0,0]=4 2270 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,1,0,0,0|2,0,0]=4 2271 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,1,0,0,0|2,0,0]=4 2272 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,1,0,0,0|2,0,0]=4 2273 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,1,0,0,0|2,0,0]=4 2274 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,0,1,0,0,0|2,0,0]=4 2275 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,0,1,0,0,0|2,0,0]=4 2276 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,1,0,0,0|2,0,0]=4 2277 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,1,0,0,0|2,0,0]=4 2278 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,1,0,0,0|2,0,0]=4 2279 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,0,1,0,0,0|2,0,0]=4 2280 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,0,1,0,0,0|2,0,0]=4 2281 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,0,1,0,0,0|2,0,0]=4 2282 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,0,1,0,0,0|2,0,0]=4 2283 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,1,0,0,0|2,0,0]=4 2284 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,0,1,0,0,0|2,0,0]=4 2285 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,0,1,0,0,0|2,0,0]=4 2286 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,0,1,0,0,0|2,0,0]=4 2287 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,1,0,0,0|2,0,0]=4 2288 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,1,0,0,0|2,0,0]=4 2289 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,0,1,0,0,0|2,0,0]=4 2290 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,0,1,0,0,0|2,0,0]=4 2291 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,0,1,0,0,0|2,0,0]=4 2292 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,0,1,0,0,0|2,0,0]=4 2293 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,0,1,0,0,0|1,0,1]=4 2294 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,0,1,0,0,0|2,0,0]=4 2295 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,0,1,0,0,0|2,0,0]=4 2296 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,0,1,0,0,0|2,0,0]=4 2297 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,1,0,0,0|2,0,0]=4 2298 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,0,1,0,0,0|2,0,0]=4 2299 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,0,1,0,0,0|2,0,0]=4 2300 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,1,0,0,0|2,0,0]=4 2301 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,1,0,0,0|2,0,0]=4 2302 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [1,0,1,0,0,0|1,0,0]=3 2303 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [1,0,1,0,0,0|1,0,0]=3 2304 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [1,0,1,0,0,0|1,0,0]=3 2305 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [1,0,1,0,0,0|1,0,0]=3 2306 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [1,0,1,0,0,0|2,0,0]=4 2307 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [1,0,1,0,0,0|2,0,0]=4 2308 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [1,0,1,0,0,0|2,0,0]=4 2309 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [1,0,1,0,0,0|2,0,0]=4 2310 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [1,0,1,0,0,0|2,0,0]=4 2311 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [1,0,1,0,0,0|2,0,0]=4 2312 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [1,0,1,0,0,0|2,0,0]=4 2313 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [1,0,1,0,0,0|2,0,0]=4 2314 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [1,0,1,0,0,0|1,0,1]=4 2315 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [1,0,1,0,0,0|1,0,1]=4 2316 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [1,0,1,0,0,0|1,0,1]=4 2317 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [1,0,1,0,0,0|2,0,0]=4 2318 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [2,0,0,0,0,0|2,0,0]=4 2319 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [2,0,0,0,0,0|2,0,0]=4 2320 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [2,0,0,0,0,0|2,0,0]=4 2321 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [2,0,0,0,0,0|2,0,0]=4 2322 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [2,0,0,0,0,0|1,0,1]=4 2323 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [2,0,0,0,0,0|2,0,0]=4 2324 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [2,0,0,0,0,0|2,0,0]=4 2325 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [2,0,0,0,0,0|1,0,1]=4 2326 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [2,0,0,0,0,0|1,0,1]=4 2327 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [2,0,0,0,0,0|1,0,1]=4 2328 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [2,0,0,0,0,0|1,0,1]=4 2329 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [2,0,0,0,0,0|1,0,1]=4 2330 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [2,0,0,0,0,0|1,0,1]=4 2331 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [2,0,0,0,0,0|1,0,1]=4 2332 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [2,0,0,0,0,0|1,0,1]=4 2333 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [2,0,0,0,0,0|1,0,1]=4 2334 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [2,0,0,0,0,0|1,0,1]=4 2335 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [2,0,0,0,0,0|1,0,1]=4 2336 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [2,0,0,0,0,0|1,0,1]=4 2337 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [2,0,0,0,0,0|1,0,1]=4 2338 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,1,1,0,0,0|1,0,1]=4 2339 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,1,1,0,0,0|1,0,1]=4 2340 B12R0.1 C#CCCCCOCC(=O)CCC 7a_100000766709_100000747444 [0,1,1,0,0,0|0,0,2]=4 2341 B12R0.1 C#CCCCNCOC(=O)CCC 34a_100000718082_100000034017 [0,1,1,0,0,0|0,0,2]=4 2342 B12R0.1 C#CCCCOCOC(=O)CCC 34a_100000215630_100000034017 [0,1,1,0,0,0|0,0,2]=4 2343 B12R0.1 C#CCCCSCOC(=O)CCC 62a_100011215417_100000034017 [0,1,1,0,0,0|0,0,2]=4 2344 B12R0.1 C/C=C/CCOCOC(=O)CCC 34a_100016278192_100000034017 [0,1,1,0,0,0|0,0,2]=4 2345 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,1,1,0,0,0|1,0,1]=4 2346 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,1,1,0,0,0|1,0,1]=4 2347 B12R0.1 C=CCCCCOCC(=O)CCC 7a_100000766645_100000747444 [0,1,1,0,0,0|0,0,2]=4 2348 B12R0.1 C=CCCCNCOC(=O)CCC 2230a_100000700776_100000034017 [0,1,1,0,0,0|0,0,2]=4 2349 B12R0.1 C=CCCCNCOC(=O)CCC 34a_100000700776_100000034017 [0,1,1,0,0,0|0,0,2]=4 2350 B12R0.1 C=CCCCOCOC(=O)CCC 34a_100000758997_100000034017 [0,1,1,0,0,0|0,0,2]=4 2351 B12R0.1 C=CCCCSCOC(=O)CCC 62a_100011713584_100000034017 [0,1,1,0,0,0|0,0,2]=4 2352 B12R0.1 CC#CCCOCOC(=O)CCC 34a_100000750427_100000034017 [0,1,1,0,0,0|0,0,2]=4 2353 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [0,1,1,0,0,0|0,0,2]=4 2354 B12R0.1 CC/C=C\COCOC(=O)CCC 34a_100016268518_100000034017 [0,1,1,0,0,0|0,0,2]=4 2355 B12R0.1 CC/C=C\CSCOC(=O)CCC 62a_100103147603_100000034017 [0,1,1,0,0,0|0,0,2]=4 2356 B12R0.1 CCC#CCCOCC(=O)CCC 7a_100000036655_100000747444 [0,1,1,0,0,0|0,0,2]=4 2357 B12R0.1 CCC#CCOCOC(=O)CCC 34a_100000032950_100000034017 [0,1,1,0,0,0|0,0,2]=4 2358 B12R0.1 CCC#CCSCOC(=O)CCC 62a_100009813939_100000034017 [0,1,1,0,0,0|0,0,2]=4 2359 B12R0.1 CCC/C=C/COCC(=O)CCC 7a_100016278788_100000747444 [0,1,1,0,0,0|0,0,2]=4 2360 B12R0.1 CCCC#CCOCC(=O)CCC 7a_100000034806_100000747444 [0,1,1,0,0,0|0,0,2]=4 2361 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,1,1,0,0,0|1,0,1]=4 2362 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,1,1,0,0,0|1,0,0]=3 2363 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,1,1,0,0,0|1,0,0]=3 2364 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,1,1,0,0,0|1,0,0]=3 2365 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,1,1,0,0,0|2,0,0]=4 2366 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [0,1,1,0,0,0|2,0,0]=4 2367 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,1,1,0,0,0|2,0,0]=4 2368 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,1,1,0,0,0|2,0,0]=4 2369 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,1,1,0,0,0|1,0,0]=3 2370 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,1,1,0,0,0|1,0,0]=3 2371 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,1,1,0,0,0|1,0,0]=3 2372 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,1,1,0,0,0|1,0,0]=3 2373 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,1,1,0,0,0|1,0,0]=3 2374 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,1,1,0,0,0|1,0,0]=3 2375 B12R0.1 CCCC(=O)COCCOCCBr 7a_100000692535_100000747444 [0,1,1,0,0,0|2,0,0]=4 2376 B12R0.1 CCCC(=O)COCCOCCCl 7a_100011215305_100000747444 [0,1,1,0,0,0|2,0,0]=4 2377 B12R0.1 CCCC(=O)COCCOCCF 7a_200015357709_100000747444 [0,1,1,0,0,0|2,0,0]=4 2378 B12R0.1 CCCC(=O)COCCOCCI 7a_100012149058_100000747444 [0,1,1,0,0,0|2,0,0]=4 2379 B12R0.1 CCCC(=O)COCCOCCO 1458a_106645077154_100000210303 [0,1,1,0,0,0|2,0,0]=4 2380 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,1,1,0,0,0|1,1,0]=4 2381 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,1,1,0,0,0|1,1,0]=4 2382 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,1,1,0,0,0|1,1,0]=4 2383 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,1,1,0,0,0|1,1,0]=4 2384 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,1,1,0,0,0|1,1,0]=4 2385 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,1,1,0,0,0|1,1,0]=4 2386 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,1,1,0,0,0|1,1,0]=4 2387 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,1,1,0,0,0|1,1,0]=4 2388 B12R0.1 CCCC(=O)NCCCCCC#N 11a_100000061152_100000211992 [0,1,1,0,0,0|1,0,1]=4 2389 B12R0.1 CCCC(=O)NCCCCCC#N 1626a_100000061152_100000211992 [0,1,1,0,0,0|1,0,1]=4 2390 B12R0.1 CCCC(=O)NCCCCCC#N 240690a_100000061152_100000211992 [0,1,1,0,0,0|1,0,1]=4 2391 B12R0.1 CCCC(=O)NCCCCCC#N 527a_100000061152_100000211992 [0,1,1,0,0,0|1,0,1]=4 2392 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,1,1,0,0,0|1,0,0]=3 2393 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,1,1,0,0,0|1,0,0]=3 2394 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,1,1,0,0,0|1,0,0]=3 2395 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,1,1,0,0,0|1,0,0]=3 2396 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,1,1,0,0,0|1,0,0]=3 2397 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,1,1,0,0,0|1,0,0]=3 2398 B12R0.1 CCCC(=O)NCCOCCOC 11a_100000745349_100000211992 [0,1,1,0,0,0|2,0,0]=4 2399 B12R0.1 CCCC(=O)NCCOCCOC 1626a_100000745349_100000211992 [0,1,1,0,0,0|2,0,0]=4 2400 B12R0.1 CCCC(=O)NCCOCCOC 240690a_100000745349_100000211992 [0,1,1,0,0,0|2,0,0]=4 2401 B12R0.1 CCCC(=O)NCCOCCOC 527a_100000745349_100000211992 [0,1,1,0,0,0|2,0,0]=4 2402 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,1,1,0,0,0|1,0,0]=3 2403 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,1,1,0,0,0|1,0,0]=3 2404 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [0,1,1,0,0,0|1,0,0]=3 2405 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [0,1,1,0,0,0|1,0,0]=3 2406 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [0,1,1,0,0,0|1,0,0]=3 2407 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [0,1,1,0,0,0|1,0,0]=3 2408 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [0,1,1,0,0,0|1,0,0]=3 2409 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [0,1,1,0,0,0|1,0,0]=3 2410 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [0,1,1,0,0,0|1,0,0]=3 2411 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [0,1,1,0,0,0|1,0,0]=3 2412 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [0,1,1,0,0,0|1,0,0]=3 2413 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [0,1,1,0,0,0|1,0,0]=3 2414 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [0,1,1,0,0,0|1,0,0]=3 2415 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [0,1,1,0,0,0|1,0,0]=3 2416 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [0,1,1,0,0,0|1,0,0]=3 2417 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [0,1,1,0,0,0|1,0,0]=3 2418 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [0,1,1,0,0,0|1,0,0]=3 2419 B12R0.1 CCCC(=O)OCSCCCC#N 62a_100000687738_100000034017 [0,1,1,0,0,0|1,0,1]=4 2420 B12R0.1 CCCC(=O)OCSCCCC=O 62a_200011292268_100000034017 [0,1,1,0,0,0|1,0,1]=4 2421 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [0,1,1,0,0,0|1,0,0]=3 2422 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,1,1,0,0,0|1,0,0]=3 2423 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [0,1,1,0,0,0|1,0,0]=3 2424 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [0,1,1,0,0,0|1,0,0]=3 2425 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [0,1,1,0,0,0|1,0,0]=3 2426 B12R0.1 CCCC(C)OCCCCCCBr 34a_100011215345_100000766640 [0,1,1,0,0,0|1,0,1]=4 2427 B12R0.1 CCCC(C)OCCCCCCBr 7a_100011215345_100000766640 [0,1,1,0,0,0|1,0,1]=4 2428 B12R0.1 CCCC(C)OCCCCCCCl 34a_100000766143_100000766640 [0,1,1,0,0,0|1,0,1]=4 2429 B12R0.1 CCCC(C)OCCCCCCCl 7a_100000766143_100000766640 [0,1,1,0,0,0|1,0,1]=4 2430 B12R0.1 CCCC(C)OCCCCCCF 34a_100000732779_100000766640 [0,1,1,0,0,0|1,0,1]=4 2431 B12R0.1 CCCC(C)OCCCCCCF 34a_100000764384_100015922095 [0,1,1,0,0,0|1,0,1]=4 2432 B12R0.1 CCCC(C)OCCCCCCF 7a_100000732779_100000766640 [0,1,1,0,0,0|1,0,1]=4 2433 B12R0.1 CCCC(C)OCCCCCCF 7a_100000764384_100015922095 [0,1,1,0,0,0|1,0,1]=4 2434 B12R0.1 CCCC(C)OCCCCCCN 34a_100000686447_100000766640 [0,1,1,0,0,0|1,0,1]=4 2435 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [0,1,1,0,0,0|1,0,1]=4 2436 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [0,1,1,0,0,0|1,0,1]=4 2437 B12R0.1 CCCC(C)OCCCCCNC 34a_100000722520_100000766640 [0,1,1,0,0,0|1,0,1]=4 2438 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,1,1,0,0,0|1,0,1]=4 2439 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,1,1,0,0,0|1,0,1]=4 2440 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [0,1,1,0,0,0|1,0,1]=4 2441 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,1,1,0,0,0|1,0,0]=3 2442 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,1,1,0,0,0|2,0,0]=4 2443 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,1,1,0,0,0|2,0,0]=4 2444 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,1,1,0,0,0|2,0,0]=4 2445 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,1,1,0,0,0|2,0,0]=4 2446 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,1,1,0,0,0|1,0,0]=3 2447 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,1,1,0,0,0|1,0,0]=3 2448 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,1,1,0,0,0|2,0,0]=4 2449 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,1,1,0,0,0|2,0,0]=4 2450 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,1,1,0,0,0|2,0,0]=4 2451 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,1,1,0,0,0|2,0,0]=4 2452 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,1,1,0,0,0|2,0,0]=4 2453 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,1,1,0,0,0|2,0,0]=4 2454 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,1,1,0,0,0|2,0,0]=4 2455 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,1,1,0,0,0|2,0,0]=4 2456 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,1,1,0,0,0|1,0,0]=3 2457 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,1,1,0,0,0|1,0,0]=3 2458 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,1,1,0,0,0|1,0,0]=3 2459 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,1,1,0,0,0|1,0,0]=3 2460 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,1,1,0,0,0|2,0,0]=4 2461 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,1,1,0,0,0|2,0,0]=4 2462 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,1,1,0,0,0|2,0,0]=4 2463 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,1,1,0,0,0|2,0,0]=4 2464 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,1,1,0,0,0|2,0,0]=4 2465 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,1,1,0,0,0|2,0,0]=4 2466 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,1,1,0,0,0|2,0,0]=4 2467 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,1,1,0,0,0|2,0,0]=4 2468 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,1,1,0,0,0|2,0,0]=4 2469 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,1,1,0,0,0|2,0,0]=4 2470 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,1,1,0,0,0|2,0,0]=4 2471 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,1,1,0,0,0|2,0,0]=4 2472 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,1,1,0,0,0|2,0,0]=4 2473 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,1,1,0,0,0|2,0,0]=4 2474 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,1,1,0,0,0|2,0,0]=4 2475 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,1,1,0,0,0|1,0,1]=4 2476 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,1,1,0,0,0|1,0,1]=4 2477 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,1,1,0,0,0|1,0,1]=4 2478 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,1,1,0,0,0|1,0,1]=4 2479 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,1,1,0,0,0|1,0,0]=3 2480 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,1,1,0,0,0|2,0,0]=4 2481 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,1,1,0,0,0|2,0,0]=4 2482 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,1,1,0,0,0|2,0,0]=4 2483 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,1,1,0,0,0|0,0,0]=2 2484 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,1,1,0,0,0|1,0,0]=3 2485 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,1,1,0,0,0|1,0,0]=3 2486 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,1,1,0,0,0|2,0,0]=4 2487 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,1,1,0,0,0|2,0,0]=4 2488 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,1,1,0,0,0|1,0,0]=3 2489 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,1,1,0,0,0|1,0,0]=3 2490 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [0,1,1,0,0,0|1,0,1]=4 2491 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [0,1,1,0,0,0|1,0,1]=4 2492 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [0,1,1,0,0,0|1,0,1]=4 2493 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [0,1,1,0,0,0|1,0,1]=4 2494 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [0,1,1,0,0,0|1,0,1]=4 2495 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,1,1,0,0,0|0,1,0]=3 2496 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,1,1,0,0,0|0,1,0]=3 2497 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,1,1,0,0,0|1,1,0]=4 2498 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,1,1,0,0,0|1,1,0]=4 2499 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,1,1,0,0,0|1,1,0]=4 2500 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,1,1,0,0,0|1,1,0]=4 2501 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,1,1,0,0,0|2,0,0]=4 2502 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,1,1,0,0,0|2,0,0]=4 2503 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,1,1,0,0,0|2,0,0]=4 2504 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,1,1,0,0,0|0,0,0]=2 2505 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,1,1,0,0,0|2,0,0]=4 2506 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,1,1,0,0,0|2,0,0]=4 2507 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,1,1,0,0,0|2,0,0]=4 2508 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,1,1,0,0,0|0,0,0]=2 2509 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,1,1,0,0,0|2,0,0]=4 2510 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,1,1,0,0,0|2,0,0]=4 2511 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,1,1,0,0,0|2,0,0]=4 2512 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,1,1,0,0,0|2,0,0]=4 2513 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,1,1,0,0,0|0,0,0]=2 2514 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,1,1,0,0,0|1,0,0]=3 2515 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,1,1,0,0,0|2,0,0]=4 2516 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,1,1,0,0,0|2,0,0]=4 2517 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,1,1,0,0,0|2,0,0]=4 2518 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,1,1,0,0,0|2,0,0]=4 2519 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,1,1,0,0,0|2,0,0]=4 2520 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,1,1,0,0,0|2,0,0]=4 2521 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,1,1,0,0,0|2,0,0]=4 2522 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,1,1,0,0,0|2,0,0]=4 2523 B12R0.1 CCCCOCCOC(C)CCC 34a_100000210238_100000766640 [0,1,1,0,0,0|1,0,1]=4 2524 B12R0.1 CCCCOCCOC(C)CCC 34a_100000764384_100000743108 [0,1,1,0,0,0|1,0,1]=4 2525 B12R0.1 CCCCOCCOC(C)CCC 7a_100000210238_100000766640 [0,1,1,0,0,0|1,0,1]=4 2526 B12R0.1 CCCCOCCOC(C)CCC 7a_100000764384_100000743108 [0,1,1,0,0,0|1,0,1]=4 2527 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,1,1,0,0,0|1,1,0]=4 2528 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,1,1,0,0,0|1,1,0]=4 2529 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,1,1,0,0,0|2,0,0]=4 2530 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,1,1,0,0,0|2,0,0]=4 2531 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,1,1,0,0,0|1,0,0]=3 2532 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,1,1,0,0,0|1,0,0]=3 2533 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,1,1,0,0,0|1,0,0]=3 2534 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,1,1,0,0,0|1,0,0]=3 2535 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,1,1,0,0,0|2,0,0]=4 2536 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,1,1,0,0,0|2,0,0]=4 2537 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,1,1,0,0,0|2,0,0]=4 2538 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,1,1,0,0,0|2,0,0]=4 2539 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,1,1,0,0,0|2,0,0]=4 2540 B12R0.1 CCCCSCCNC(=O)CSC 11a_100025743550_100000184570 [0,1,1,0,0,0|2,0,0]=4 2541 B12R0.1 CCCCSCCNC(=O)CSC 1626a_100025743550_100000184570 [0,1,1,0,0,0|2,0,0]=4 2542 B12R0.1 CCCCSCCNC(=O)CSC 240690a_100025743550_100000184570 [0,1,1,0,0,0|2,0,0]=4 2543 B12R0.1 CCCCSCCNC(=O)CSC 527a_100025743550_100000184570 [0,1,1,0,0,0|2,0,0]=4 2544 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,1,1,0,0,0|2,0,0]=4 2545 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,1,1,0,0,0|2,0,0]=4 2546 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,1,1,0,0,0|2,0,0]=4 2547 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,1,1,0,0,0|2,0,0]=4 2548 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,1,1,0,0,0|2,0,0]=4 2549 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,1,1,0,0,0|2,0,0]=4 2550 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,1,1,0,0,0|2,0,0]=4 2551 B12R0.1 CCCCSCCOC(C)CCC 34a_200000230436_100000766640 [0,1,1,0,0,0|1,0,1]=4 2552 B12R0.1 CCCCSCCOC(C)CCC 7a_200000230436_100000766640 [0,1,1,0,0,0|1,0,1]=4 2553 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,1,1,0,0,0|2,0,0]=4 2554 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,1,1,0,0,0|1,0,0]=3 2555 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,1,1,0,0,0|1,0,0]=3 2556 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,1,1,0,0,0|1,0,0]=3 2557 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,1,1,0,0,0|2,0,0]=4 2558 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,1,1,0,0,0|2,0,0]=4 2559 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,1,1,0,0,0|2,0,0]=4 2560 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,1,1,0,0,0|2,0,0]=4 2561 B12R0.1 CCCOCCCNC(=O)CSC 1626a_100011217757_100000184570 [0,1,1,0,0,0|2,0,0]=4 2562 B12R0.1 CCCOCCCNC(=O)CSC 240690a_100011217757_100000184570 [0,1,1,0,0,0|2,0,0]=4 2563 B12R0.1 CCCOCCCNC(=O)CSC 527a_100011217757_100000184570 [0,1,1,0,0,0|2,0,0]=4 2564 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,1,1,0,0,0|2,0,0]=4 2565 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,1,1,0,0,0|2,0,0]=4 2566 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,1,1,0,0,0|2,0,0]=4 2567 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,1,1,0,0,0|2,0,0]=4 2568 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,1,1,0,0,0|2,0,0]=4 2569 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,1,1,0,0,0|2,0,0]=4 2570 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,1,1,0,0,0|2,0,0]=4 2571 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,1,1,0,0,0|1,0,0]=3 2572 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,1,1,0,0,0|2,0,0]=4 2573 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,1,1,0,0,0|2,0,0]=4 2574 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,1,1,0,0,0|2,0,0]=4 2575 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,1,1,0,0,0|2,0,0]=4 2576 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,1,1,0,0,0|2,0,0]=4 2577 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,1,1,0,0,0|1,1,0]=4 2578 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,1,1,0,0,0|1,1,0]=4 2579 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,1,1,0,0,0|2,0,0]=4 2580 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,1,1,0,0,0|2,0,0]=4 2581 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,1,1,0,0,0|2,0,0]=4 2582 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,1,1,0,0,0|1,0,0]=3 2583 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,1,1,0,0,0|2,0,0]=4 2584 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,1,1,0,0,0|2,0,0]=4 2585 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,1,1,0,0,0|2,0,0]=4 2586 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,1,1,0,0,0|2,0,0]=4 2587 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,1,1,0,0,0|2,0,0]=4 2588 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,1,1,0,0,0|2,0,0]=4 2589 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,1,1,0,0,0|2,0,0]=4 2590 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,1,1,0,0,0|2,0,0]=4 2591 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,1,1,0,0,0|2,0,0]=4 2592 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,1,1,0,0,0|2,0,0]=4 2593 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,1,1,0,0,0|2,0,0]=4 2594 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,1,1,0,0,0|2,0,0]=4 2595 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,1,1,0,0,0|2,0,0]=4 2596 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,1,1,0,0,0|2,0,0]=4 2597 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,1,1,0,0,0|2,0,0]=4 2598 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,1,1,0,0,0|2,0,0]=4 2599 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,1,1,0,0,0|2,0,0]=4 2600 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,1,1,0,0,0|2,0,0]=4 2601 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,1,1,0,0,0|2,0,0]=4 2602 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,1,1,0,0,0|2,0,0]=4 2603 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,1,1,0,0,0|2,0,0]=4 2604 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,1,1,0,0,0|2,0,0]=4 2605 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,1,1,0,0,0|2,0,0]=4 2606 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,1,1,0,0,0|2,0,0]=4 2607 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,1,1,0,0,0|2,0,0]=4 2608 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,1,1,0,0,0|2,0,0]=4 2609 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,1,1,0,0,0|2,0,0]=4 2610 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,1,1,0,0,0|2,0,0]=4 2611 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,1,1,0,0,0|2,0,0]=4 2612 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,1,1,0,0,0|2,0,0]=4 2613 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,1,1,0,0,0|2,0,0]=4 2614 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,1,1,0,0,0|2,0,0]=4 2615 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,1,1,0,0,0|2,0,0]=4 2616 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,1,1,0,0,0|2,0,0]=4 2617 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,1,1,0,0,0|2,0,0]=4 2618 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,1,1,0,0,0|2,0,0]=4 2619 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,1,1,0,0,0|2,0,0]=4 2620 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,1,1,0,0,0|2,0,0]=4 2621 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,1,1,0,0,0|2,0,0]=4 2622 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,1,1,0,0,0|2,0,0]=4 2623 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,1,1,0,0,0|2,0,0]=4 2624 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,1,1,0,0,0|2,0,0]=4 2625 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,1,1,0,0,0|2,0,0]=4 2626 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,1,1,0,0,0|2,0,0]=4 2627 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,1,1,0,0,0|2,0,0]=4 2628 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,1,1,0,0,0|2,0,0]=4 2629 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,1,1,0,0,0|2,0,0]=4 2630 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,1,1,0,0,0|2,0,0]=4 2631 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,1,1,0,0,0|2,0,0]=4 2632 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,1,1,0,0,0|2,0,0]=4 2633 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,1,1,0,0,0|2,0,0]=4 2634 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,1,1,0,0,0|2,0,0]=4 2635 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,1,1,0,0,0|2,0,0]=4 2636 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,1,1,0,0,0|2,0,0]=4 2637 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,1,1,0,0,0|2,0,0]=4 2638 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,1,1,0,0,0|2,0,0]=4 2639 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,1,1,0,0,0|2,0,0]=4 2640 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,1,1,0,0,0|2,0,0]=4 2641 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,1,1,0,0,0|2,0,0]=4 2642 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,1,1,0,0,0|2,0,0]=4 2643 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,1,1,0,0,0|2,0,0]=4 2644 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,1,1,0,0,0|2,0,0]=4 2645 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,1,1,0,0,0|2,0,0]=4 2646 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,1,1,0,0,0|2,0,0]=4 2647 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,1,1,0,0,0|2,0,0]=4 2648 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,1,1,0,0,0|2,0,0]=4 2649 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,1,1,0,0,0|2,0,0]=4 2650 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,1,1,0,0,0|2,0,0]=4 2651 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,1,1,0,0,0|2,0,0]=4 2652 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,1,1,0,0,0|2,0,0]=4 2653 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,1,1,0,0,0|2,0,0]=4 2654 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,1,1,0,0,0|2,0,0]=4 2655 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,1,1,0,0,0|2,0,0]=4 2656 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,1,1,0,0,0|2,0,0]=4 2657 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,1,1,0,0,0|2,0,0]=4 2658 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,1,1,0,0,0|2,0,0]=4 2659 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,1,1,0,0,0|2,0,0]=4 2660 B12R0.1 COCCCCCNC(=O)CSC 11a_100000747528_100000184570 [0,1,1,0,0,0|2,0,0]=4 2661 B12R0.1 COCCCCCNC(=O)CSC 1626a_100000747528_100000184570 [0,1,1,0,0,0|2,0,0]=4 2662 B12R0.1 COCCCCCNC(=O)CSC 240690a_100000747528_100000184570 [0,1,1,0,0,0|2,0,0]=4 2663 B12R0.1 COCCCCCNC(=O)CSC 527a_100000747528_100000184570 [0,1,1,0,0,0|2,0,0]=4 2664 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,1,1,0,0,0|2,0,0]=4 2665 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,1,1,0,0,0|2,0,0]=4 2666 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,1,1,0,0,0|2,0,0]=4 2667 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,1,1,0,0,0|2,0,0]=4 2668 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,1,1,0,0,0|2,0,0]=4 2669 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,1,1,0,0,0|2,0,0]=4 2670 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,1,1,0,0,0|2,0,0]=4 2671 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,1,1,0,0,0|1,0,1]=4 2672 B12R0.4 CC(C)CC(=O)CCCCCCF 1458a_100000210554_100015922095 [0,1,1,0,0,0|2,0,0]=4 2673 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100000210554_100000766143 [0,1,1,0,0,0|2,0,0]=4 2674 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100011996774_100000210624 [0,1,1,0,0,0|2,0,0]=4 2675 B12R0.4 CC(C)CC(=O)NCCCCCO 240690a_100000762737_100000210554 [0,1,1,0,0,0|2,0,0]=4 2676 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [0,1,1,0,0,0|2,0,0]=4 2677 B12R0.4 CCCCCC#CC(=O)CC(C)C 1458a_100011215388_100000210624 [0,1,1,0,0,0|1,0,1]=4 2678 B12R0.4 CCCCCC#CC(=O)CC(C)O 1458a_100011215388_100011218427 [0,1,1,0,0,0|1,0,1]=4 2679 B12R0.4 CCCCCC=CC(=O)CC(C)C 1458a_100016263427_100000210624 [0,1,1,0,0,0|1,0,1]=4 2680 B12R0.4 CCCCCC=CC(=O)CC(C)O 1458a_100016263427_100011218427 [0,1,1,0,0,0|1,0,1]=4 2681 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,1,1,0,0,0|1,0,0]=3 2682 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,1,1,0,0,0|1,0,0]=3 2683 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,1,1,0,0,0|1,0,0]=3 2684 B12R0.4 CCCCCCCC(=O)CC(F)F 1458a_100000211969_100011934356 [0,1,1,0,0,0|2,0,0]=4 2685 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [0,1,1,0,0,0|2,0,0]=4 2686 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,1,1,0,0,0|1,0,0]=3 2687 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [0,1,1,0,0,0|2,0,0]=4 2688 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [0,1,1,0,0,0|2,0,0]=4 2689 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [0,1,1,0,0,0|2,0,0]=4 2690 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [0,1,1,0,0,0|2,0,0]=4 2691 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [0,1,1,0,0,0|2,0,0]=4 2692 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,1,1,0,0,0|1,0,1]=4 2693 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [0,1,1,0,0,0|1,0,0]=3 2694 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [0,1,1,0,0,0|1,0,0]=3 2695 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [0,1,1,0,0,0|1,0,0]=3 2696 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [0,1,1,0,0,0|1,0,0]=3 2697 B12R0.4 CCCCCCNC(=O)CN(C)C 11a_100000210581_100000750896 [0,1,1,0,0,0|2,0,0]=4 2698 B12R0.4 CCCCCCNC(=O)CN(C)C 2230a_100102631434_100000230325 [0,1,1,0,0,0|2,0,0]=4 2699 B12R0.4 CCCCCCNC(=O)CN(C)C 240690a_100000210581_100000750896 [0,1,1,0,0,0|2,0,0]=4 2700 B12R0.4 CCCCCCNC(=O)CN(C)C 269982a_100102631434_100000230325 [0,1,1,0,0,0|2,0,0]=4 2701 B12R0.4 CCCCCCNC(=O)CN(C)C 527a_100000210581_100000750896 [0,1,1,0,0,0|2,0,0]=4 2702 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [0,1,1,0,0,0|1,0,0]=3 2703 B12R0.4 CCCCCCNC(=O)C[S+](C)C 11a_100000210581_200159257847 [0,1,1,0,0,0|2,0,0]=4 2704 B12R0.4 CCCCCCNC(=O)C[S+](C)C 1626a_100000210581_200159257847 [0,1,1,0,0,0|2,0,0]=4 2705 B12R0.4 CCCCCCNC(=O)C[S+](C)C 240690a_100000210581_200159257847 [0,1,1,0,0,0|2,0,0]=4 2706 B12R0.4 CCCCCCNC(=O)C[S+](C)C 527a_100000210581_200159257847 [0,1,1,0,0,0|2,0,0]=4 2707 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [0,1,1,0,0,0|2,0,0]=4 2708 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [0,1,1,0,0,0|2,0,0]=4 2709 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [0,1,1,0,0,0|2,0,0]=4 2710 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [0,1,1,0,0,0|2,0,0]=4 2711 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [0,1,1,0,0,0|2,0,0]=4 2712 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000210259_100000731052 [0,1,1,0,0,0|1,0,1]=4 2713 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000211805_100000210314 [0,1,1,0,0,0|1,0,1]=4 2714 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000210259_100000731052 [0,1,1,0,0,0|1,0,1]=4 2715 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000211805_100000210314 [0,1,1,0,0,0|1,0,1]=4 2716 B12R0.4 CCCCCNNC(=O)CC(C)C 22a_100000694160_100000210554 [0,1,1,0,0,0|2,0,0]=4 2717 B12R0.4 CCCCCNNC(=O)C[C@@H](C)O 22a_100000694160_100011933948 [0,1,1,0,0,0|2,0,0]=4 2718 B12R0.4 CCCCOCCC(=O)CC(C)C 1458a_100000210554_100000743108 [0,1,1,0,0,0|2,0,0]=4 2719 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [0,1,1,0,0,0|2,0,0]=4 2720 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000003507_100000210210 [0,1,1,0,0,0|2,0,0]=4 2721 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000210211_100000003507 [0,1,1,0,0,0|2,0,0]=4 2722 B12R0.4 CCCOCCNC(=O)CC(C)C 1626a_100161115042_100000210554 [0,1,1,0,0,0|2,0,0]=4 2723 B12R0.4 CCCOCCNC(=O)CC(C)C 240690a_100161115042_100000210554 [0,1,1,0,0,0|2,0,0]=4 2724 B12R0.4 CCCOCCNC(=O)CC(C)C 527a_100161115042_100000210554 [0,1,1,0,0,0|2,0,0]=4 2725 B12R0.4 CCCOCCNC(=O)C[C@@H](C)O 240690a_100161115042_100011933948 [0,1,1,0,0,0|2,0,0]=4 2726 B12R0.4 CCCOCCOC(=O)CC(=O)C 34a_100000210258_100000102702 [0,1,1,0,0,0|1,0,1]=4 2727 B12R0.4 CCCSCCNC(=O)CC(C)C 11a_100020603323_100000210554 [0,1,1,0,0,0|2,0,0]=4 2728 B12R0.4 CCCSCCNC(=O)CC(C)C 240690a_100020603323_100000210554 [0,1,1,0,0,0|2,0,0]=4 2729 B12R0.4 CCCSCCNC(=O)CC(C)C 527a_100020603323_100000210554 [0,1,1,0,0,0|2,0,0]=4 2730 B12R0.4 CCCSCCNC(=O)C[C@@H](C)O 240690a_100020603323_100011933948 [0,1,1,0,0,0|2,0,0]=4 2731 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210303 [0,1,1,0,0,0|1,0,1]=4 2732 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000210303_100000102702 [0,1,1,0,0,0|1,0,1]=4 2733 B12R0.4 CCOCCCNC(=O)CC(C)C 11a_100000210961_100000210554 [0,1,1,0,0,0|2,0,0]=4 2734 B12R0.4 CCOCCCNC(=O)CC(C)C 1626a_100000210961_100000210554 [0,1,1,0,0,0|2,0,0]=4 2735 B12R0.4 CCOCCCNC(=O)CC(C)C 240690a_100000210961_100000210554 [0,1,1,0,0,0|2,0,0]=4 2736 B12R0.4 CCOCCCNC(=O)CC(C)C 527a_100000210961_100000210554 [0,1,1,0,0,0|2,0,0]=4 2737 B12R0.4 CCOCCCNC(=O)C[C@@H](C)O 240690a_100000210961_100011933948 [0,1,1,0,0,0|2,0,0]=4 2738 B12R0.4 COCCCCCC(=O)CC(C)C 1458a_100011935119_100000210624 [0,1,1,0,0,0|2,0,0]=4 2739 B12R0.4 COCCCCCC(=O)CC(C)O 1458a_100011935119_100011218427 [0,1,1,0,0,0|2,0,0]=4 2740 B12R0.4 C[C@@H](O)CC(=O)CCCCCCF 1458a_100011933948_100015922095 [0,1,1,0,0,0|2,0,0]=4 2741 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [0,1,1,0,0,0|2,0,0]=4 2742 B12R0.4 C[C@@H](O)CC(=O)NCCCCCO 240690a_100000762737_100011933948 [0,1,1,0,0,0|2,0,0]=4 2743 B12R0.49 CCC(C)C(=O)CCCCCCF 1458a_100011192722_100015922095 [0,1,1,0,0,0|2,0,0]=4 2744 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011192722_100000766143 [0,1,1,0,0,0|2,0,0]=4 2745 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011996774_100000758301 [0,1,1,0,0,0|2,0,0]=4 2746 B12R0.49 CCC(C)C(=O)CCCCCOC 1458a_100011935119_100000758301 [0,1,1,0,0,0|2,0,0]=4 2747 B12R0.49 CCC(C)C(=O)NCCCCCO 240690a_100000762737_100011192722 [0,1,1,0,0,0|2,0,0]=4 2748 B12R0.49 CCC(O)C(=O)CCCCCCF 1458a_100011196387_100015922095 [0,1,1,0,0,0|2,0,0]=4 2749 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [0,1,1,0,0,0|2,0,0]=4 2750 B12R0.49 CCC(O)C(=O)NCCCCCO 240690a_100000762737_100011196387 [0,1,1,0,0,0|2,0,0]=4 2751 B12R0.49 CCCCCC#CC(=O)C(C)CC 1458a_100011215388_100000758301 [0,1,1,0,0,0|1,0,1]=4 2752 B12R0.49 CCCCCC=CC(=O)C(C)CC 1458a_100016263427_100000758301 [0,1,1,0,0,0|1,0,1]=4 2753 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,1,1,0,0,0|1,0,0]=3 2754 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,1,1,0,0,0|1,0,0]=3 2755 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [0,1,1,0,0,0|2,0,0]=4 2756 B12R0.49 CCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210614 [0,1,1,0,0,0|2,0,0]=4 2757 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,1,1,0,0,0|1,0,0]=3 2758 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [0,1,1,0,0,0|2,0,0]=4 2759 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [0,1,1,0,0,0|2,0,0]=4 2760 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [0,1,1,0,0,0|2,0,0]=4 2761 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [0,1,1,0,0,0|2,0,0]=4 2762 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [0,1,1,0,0,0|2,0,0]=4 2763 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [0,1,1,0,0,0|1,0,0]=3 2764 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [0,1,1,0,0,0|1,0,0]=3 2765 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [0,1,1,0,0,0|1,0,0]=3 2766 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [0,1,1,0,0,0|1,0,0]=3 2767 B12R0.49 CCCCCCNC(=O)C(C)OC 11a_100000210581_100000743197 [0,1,1,0,0,0|2,0,0]=4 2768 B12R0.49 CCCCCCNC(=O)C(C)OC 1626a_100000210581_100000743197 [0,1,1,0,0,0|2,0,0]=4 2769 B12R0.49 CCCCCCNC(=O)C(C)OC 240690a_100000210581_100000743197 [0,1,1,0,0,0|2,0,0]=4 2770 B12R0.49 CCCCCCNC(=O)C(C)OC 527a_100000210581_100000743197 [0,1,1,0,0,0|2,0,0]=4 2771 B12R0.49 CCCCCCNC(=O)C(C)SC 11a_100000210581_100000149566 [0,1,1,0,0,0|2,0,0]=4 2772 B12R0.49 CCCCCCNC(=O)C(C)SC 1626a_100000210581_100000149566 [0,1,1,0,0,0|2,0,0]=4 2773 B12R0.49 CCCCCCNC(=O)C(C)SC 240690a_100000210581_100000149566 [0,1,1,0,0,0|2,0,0]=4 2774 B12R0.49 CCCCCCNC(=O)C(C)SC 527a_100000210581_100000149566 [0,1,1,0,0,0|2,0,0]=4 2775 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [0,1,1,0,0,0|1,0,0]=3 2776 B12R0.49 CCCCCCNC(=O)C(O)CO 240690a_100000210581_100011215603 [0,1,1,0,0,0|2,0,0]=4 2777 B12R0.49 CCCCCCNC(=O)N(C)CC 2708a_100000210581_100000225621 [0,1,1,0,0,0|2,0,0]=4 2778 B12R0.49 CCCCCCNC(=O)N(C)CC 273464a_100000210581_100000225621 [0,1,1,0,0,0|2,0,0]=4 2779 B12R0.49 CCCCCCOC(C)C(C)CC 7a_100011215189_100000210314 [0,1,1,0,0,0|1,0,1]=4 2780 B12R0.49 CCCCCNNC(=O)C(C)CC 22a_100000694160_100011192722 [0,1,1,0,0,0|2,0,0]=4 2781 B12R0.49 CCCCCNNC(=O)C(O)CC 22a_100000694160_100011196387 [0,1,1,0,0,0|2,0,0]=4 2782 B12R0.49 CCCCOCCC(=O)C(C)CC 1458a_100011192722_100000743108 [0,1,1,0,0,0|2,0,0]=4 2783 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [0,1,1,0,0,0|2,0,0]=4 2784 B12R0.49 CCCOCCNC(=O)C(C)CC 1626a_100161115042_100011192722 [0,1,1,0,0,0|2,0,0]=4 2785 B12R0.49 CCCOCCNC(=O)C(C)CC 240690a_100161115042_100011192722 [0,1,1,0,0,0|2,0,0]=4 2786 B12R0.49 CCCOCCNC(=O)C(C)CC 527a_100161115042_100011192722 [0,1,1,0,0,0|2,0,0]=4 2787 B12R0.49 CCCOCCNC(=O)C(O)CC 240690a_100161115042_100011196387 [0,1,1,0,0,0|2,0,0]=4 2788 B12R0.49 CCCSCCNC(=O)C(C)CC 11a_100020603323_100011192722 [0,1,1,0,0,0|2,0,0]=4 2789 B12R0.49 CCCSCCNC(=O)C(C)CC 240690a_100020603323_100011192722 [0,1,1,0,0,0|2,0,0]=4 2790 B12R0.49 CCCSCCNC(=O)C(C)CC 527a_100020603323_100011192722 [0,1,1,0,0,0|2,0,0]=4 2791 B12R0.49 CCCSCCNC(=O)C(O)CC 240690a_100020603323_100011196387 [0,1,1,0,0,0|2,0,0]=4 2792 B12R0.49 CCOCCCNC(=O)C(C)CC 11a_100000210961_100011192722 [0,1,1,0,0,0|2,0,0]=4 2793 B12R0.49 CCOCCCNC(=O)C(C)CC 1626a_100000210961_100011192722 [0,1,1,0,0,0|2,0,0]=4 2794 B12R0.49 CCOCCCNC(=O)C(C)CC 240690a_100000210961_100011192722 [0,1,1,0,0,0|2,0,0]=4 2795 B12R0.49 CCOCCCNC(=O)C(C)CC 527a_100000210961_100011192722 [0,1,1,0,0,0|2,0,0]=4 2796 B12R0.49 CCOCCCNC(=O)C(O)CC 240690a_100000210961_100011196387 [0,1,1,0,0,0|2,0,0]=4 2797 B12R0.101 CCCC(=O)NCC(O)COCC 240690a_102515437182_100000211992 [0,1,1,0,0,0|2,0,0]=4 2798 B12R0.101 CCCC(=O)NCC(O)COCC 527a_102515437182_100000211992 [0,1,1,0,0,0|2,0,0]=4 2799 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000211992 [0,1,1,0,0,0|2,0,0]=4 2800 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000211992 [0,1,1,0,0,0|2,0,0]=4 2801 B12R0.101 CCCC(=O)OCC(=O)CCOC 1458a_100000749529_100000034017 [0,1,1,0,0,0|1,0,1]=4 2802 B12R0.101 CCCC(=O)OCC(=O)CCSC 1458a_100000174002_100000034017 [0,1,1,0,0,0|1,0,1]=4 2803 B12R0.101 CCCC(=O)OCC(=O)COCC 1458a_100000211967_100000034017 [0,1,1,0,0,0|1,0,1]=4 2804 B12R0.101 CCCC(=O)OCC(=O)CSCC 1458a_100000230394_100000034017 [0,1,1,0,0,0|1,0,1]=4 2805 B12R0.101 CCCC(=O)OCN(C)CCCO 2230a_100000213112_100000034017 [0,1,1,0,0,0|2,0,0]=4 2806 B12R0.101 CCCC(=O)OCN(C)CCCO 269982a_100000213112_100000034017 [0,1,1,0,0,0|2,0,0]=4 2807 B12R0.101 CCCC(=O)OCN(C)CCOC 2230a_100000743101_100000034017 [0,1,1,0,0,0|2,0,0]=4 2808 B12R0.101 CCCC(=O)OCN(C)CCOC 269982a_100000743101_100000034017 [0,1,1,0,0,0|2,0,0]=4 2809 B12R0.101 CCCC(=O)OCN(C)CCSC 2230a_100000686725_100000034017 [0,1,1,0,0,0|2,0,0]=4 2810 B12R0.101 CCCC(=O)OCN(C)CCSC 269982a_100000686725_100000034017 [0,1,1,0,0,0|2,0,0]=4 2811 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,1,1,0,0,0|0,0,1]=3 2812 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,1,1,0,0,0|1,0,0]=3 2813 B12R0.101 CCCCC(C)CCC(=O)CCF 1458a_100000033779_100011217306 [0,1,1,0,0,0|2,0,0]=4 2814 B12R0.101 CCCCC(C)CCC(=O)CCO 1458a_100000033779_100000211926 [0,1,1,0,0,0|2,0,0]=4 2815 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [0,1,1,0,0,0|2,0,0]=4 2816 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [0,1,1,0,0,0|2,0,0]=4 2817 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [0,1,1,0,0,0|2,0,0]=4 2818 B12R0.101 CCCCC(C)COC(C)CCC 34a_100011995851_100000766640 [0,1,1,0,0,0|1,0,1]=4 2819 B12R0.101 CCCCC(C)COC(C)CCC 7a_100011995851_100000766640 [0,1,1,0,0,0|1,0,1]=4 2820 B12R0.101 CCCCC(C)NCC(=O)CCC 2230a_100000126638_100000747444 [0,1,1,0,0,0|2,0,0]=4 2821 B12R0.101 CCCCC(C)OCC(=O)CCC 7a_100000687866_100000747444 [0,1,1,0,0,0|2,0,0]=4 2822 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_100000747444_200011215066 [0,1,1,0,0,0|2,0,0]=4 2823 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_200011215066_100000747444 [0,1,1,0,0,0|2,0,0]=4 2824 B12R0.101 CCCCN(C)COC(=O)CCC 2230a_100000207549_100000034017 [0,1,1,0,0,0|1,0,0]=3 2825 B12R0.101 CCCCN(C)COC(=O)CCC 269982a_100000207549_100000034017 [0,1,1,0,0,0|1,0,0]=3 2826 B12R0.101 CCCC[C@H](N)COC(C)CCC 34a_100011934283_100000766640 [0,1,1,0,0,0|1,0,1]=4 2827 B12R0.101 CCCOC(C)CNC(=O)CCC 11a_100015185124_100000211992 [0,1,1,0,0,0|2,0,0]=4 2828 B12R0.101 CCCOC(C)CNC(=O)CCC 1626a_100015185124_100000211992 [0,1,1,0,0,0|2,0,0]=4 2829 B12R0.101 CCCOC(C)CNC(=O)CCC 240690a_100015185124_100000211992 [0,1,1,0,0,0|2,0,0]=4 2830 B12R0.101 CCCOC(C)CNC(=O)CCC 527a_100015185124_100000211992 [0,1,1,0,0,0|2,0,0]=4 2831 B12R0.114 CCCC(=O)N(C)CCCCCO 240690a_100000722520_100000211992 [0,1,1,0,0,0|2,0,0]=4 2832 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [0,1,1,0,0,0|2,0,0]=4 2833 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,1,1,0,0,0|1,0,0]=3 2834 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [0,1,1,0,0,0|2,0,0]=4 2835 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [0,1,1,0,0,0|2,0,0]=4 2836 B12R0.114 CCCCCCC(C)C(=O)CSC 1458a_100000184570_100011215978 [0,1,1,0,0,0|2,0,0]=4 2837 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,1,1,0,0,0|1,0,0]=3 2838 B12R0.114 CCCCCCC(O)C(=O)CCF 1458a_100011215828_100011217306 [0,1,1,0,0,0|2,0,0]=4 2839 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [0,1,1,0,0,0|2,0,0]=4 2840 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [0,1,1,0,0,0|2,0,0]=4 2841 B12R0.114 CCCCCCN(C)C(=O)CCC 11a_106256046315_100000211992 [0,1,1,0,0,0|1,0,0]=3 2842 B12R0.114 CCCCCCN(C)C(=O)CCC 1626a_106256046315_100000211992 [0,1,1,0,0,0|1,0,0]=3 2843 B12R0.114 CCCCCCN(C)C(=O)CCC 240690a_106256046315_100000211992 [0,1,1,0,0,0|1,0,0]=3 2844 B12R0.114 CCCCCCN(C)C(=O)CCC 527a_106256046315_100000211992 [0,1,1,0,0,0|1,0,0]=3 2845 B12R0.114 CCCCCCN(C)C(=O)CCO 240690a_106256046315_100011216618 [0,1,1,0,0,0|2,0,0]=4 2846 B12R0.114 CCCCCCN(C)C(=O)COC 11a_106256046315_100000210968 [0,1,1,0,0,0|2,0,0]=4 2847 B12R0.114 CCCCCCN(C)C(=O)COC 1626a_106256046315_100000210968 [0,1,1,0,0,0|2,0,0]=4 2848 B12R0.114 CCCCCCN(C)C(=O)COC 240690a_106256046315_100000210968 [0,1,1,0,0,0|2,0,0]=4 2849 B12R0.114 CCCCCCN(C)C(=O)COC 527a_106256046315_100000210968 [0,1,1,0,0,0|2,0,0]=4 2850 B12R0.114 CCCCCCN(C)C(=O)CSC 11a_106256046315_100000184570 [0,1,1,0,0,0|2,0,0]=4 2851 B12R0.114 CCCCCCN(C)C(=O)CSC 1626a_106256046315_100000184570 [0,1,1,0,0,0|2,0,0]=4 2852 B12R0.114 CCCCCCN(C)C(=O)CSC 240690a_106256046315_100000184570 [0,1,1,0,0,0|2,0,0]=4 2853 B12R0.114 CCCCCCN(C)C(=O)CSC 527a_106256046315_100000184570 [0,1,1,0,0,0|2,0,0]=4 2854 B12R0.114 CCCCCCN(C)C(=O)NCC 2708a_100015525214_106256046315 [0,1,1,0,0,0|2,0,0]=4 2855 B12R0.114 CCCCCCN(C)C(=O)NCC 273464a_100015525214_106256046315 [0,1,1,0,0,0|2,0,0]=4 2856 B12R0.121 C#CC(CCC)OCCCCCC 34a_200011217317_100000210314 [0,1,1,0,0,0|1,0,1]=4 2857 B12R0.121 C#CC(CCC)OCCCCCC 7a_200011217317_100000210314 [0,1,1,0,0,0|1,0,1]=4 2858 B12R0.121 C=CC(CCC)OCCCCCC 34a_100011216692_100000210314 [0,1,1,0,0,0|1,0,1]=4 2859 B12R0.121 C=CC(CCC)OCCCCCC 7a_100011216692_100000210314 [0,1,1,0,0,0|1,0,1]=4 2860 B12R0.121 CCCCCCOC(C#N)CCC 34a_100000686963_100000210314 [0,1,1,0,0,0|1,0,1]=4 2861 B12R0.121 CCCCCCOC(C#N)CCC 7a_100000686963_100000210314 [0,1,1,0,0,0|1,0,1]=4 2862 B12R0.121 CCCCCCOC(CC)CCC 34a_100000687864_100000210314 [0,1,1,0,0,0|1,0,1]=4 2863 B12R0.121 CCCCCCOC(CC)CCC 7a_100000210259_100011219200 [0,1,1,0,0,0|1,0,1]=4 2864 B12R0.121 CCCCCCOC(CC)CCC 7a_100000687864_100000210314 [0,1,1,0,0,0|1,0,1]=4 2865 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,1,1,0,0,0|1,0,1]=4 2866 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,1,1,0,0,0|1,0,1]=4 2867 B12R0.206 C#CCCC(=O)NCCCCCC 11a_100000210581_100000692101 [0,1,1,0,0,0|1,0,1]=4 2868 B12R0.206 C#CCCC(=O)NCCCCCC 1626a_100000210581_100000692101 [0,1,1,0,0,0|1,0,1]=4 2869 B12R0.206 C#CCCC(=O)NCCCCCC 240690a_100000210581_100000692101 [0,1,1,0,0,0|1,0,1]=4 2870 B12R0.206 C#CCCC(=O)NCCCCCC 527a_100000210581_100000692101 [0,1,1,0,0,0|1,0,1]=4 2871 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,1,1,0,0,0|1,0,1]=4 2872 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,1,1,0,0,0|1,0,1]=4 2873 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,1,1,0,0,0|1,0,1]=4 2874 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,1,1,0,0,0|1,0,1]=4 2875 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,1,1,0,0,0|1,0,1]=4 2876 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,1,1,0,0,0|1,0,1]=4 2877 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,1,1,0,0,0|1,0,1]=4 2878 B12R0.206 CC#CCC(=O)CCCCCCC 1458a_100000211969_100000748600 [0,1,1,0,0,0|1,0,1]=4 2879 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,1,1,0,0,0|1,0,1]=4 2880 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,1,1,0,0,0|1,0,1]=4 2881 B12R0.206 CC=CCC(=O)NCCCCCC 11a_100000210581_100121576822 [0,1,1,0,0,0|1,0,1]=4 2882 B12R0.206 CC=CCC(=O)NCCCCCC 1626a_100000210581_100121576822 [0,1,1,0,0,0|1,0,1]=4 2883 B12R0.206 CC=CCC(=O)NCCCCCC 240690a_100000210581_100121576822 [0,1,1,0,0,0|1,0,1]=4 2884 B12R0.206 CC=CCC(=O)NCCCCCC 527a_100000210581_100121576822 [0,1,1,0,0,0|1,0,1]=4 2885 B12R0.206 CCC#CC(=O)CCCCCCC 1458a_100011827653_100000210614 [0,1,1,0,0,0|1,0,1]=4 2886 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,1,1,0,0,0|1,0,1]=4 2887 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [0,1,1,0,0,0|1,0,1]=4 2888 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [0,1,1,0,0,0|1,0,1]=4 2889 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [0,1,1,0,0,0|1,0,1]=4 2890 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,1,1,0,0,0|2,0,0]=4 2891 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,1,1,0,0,0|2,0,0]=4 2892 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,1,1,0,0,0|2,0,0]=4 2893 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,1,1,0,0,0|2,0,0]=4 2894 B12R0.206 CCCCC(=O)NCCCCCO 240690a_100000762737_100000210183 [0,1,1,0,0,0|2,0,0]=4 2895 B12R0.206 CCCCC(=O)NCCCOCC 11a_100000210961_100000210183 [0,1,1,0,0,0|2,0,0]=4 2896 B12R0.206 CCCCC(=O)NCCCOCC 1626a_100000210961_100000210183 [0,1,1,0,0,0|2,0,0]=4 2897 B12R0.206 CCCCC(=O)NCCCOCC 240690a_100000210961_100000210183 [0,1,1,0,0,0|2,0,0]=4 2898 B12R0.206 CCCCC(=O)NCCCOCC 527a_100000210961_100000210183 [0,1,1,0,0,0|2,0,0]=4 2899 B12R0.206 CCCCC(=O)NCCOCCC 1626a_100161115042_100000210183 [0,1,1,0,0,0|2,0,0]=4 2900 B12R0.206 CCCCC(=O)NCCOCCC 240690a_100161115042_100000210183 [0,1,1,0,0,0|2,0,0]=4 2901 B12R0.206 CCCCC(=O)NCCOCCC 527a_100161115042_100000210183 [0,1,1,0,0,0|2,0,0]=4 2902 B12R0.206 CCCCC(=O)NCCSCCC 11a_100020603323_100000210183 [0,1,1,0,0,0|2,0,0]=4 2903 B12R0.206 CCCCC(=O)NCCSCCC 240690a_100020603323_100000210183 [0,1,1,0,0,0|2,0,0]=4 2904 B12R0.206 CCCCC(=O)NCCSCCC 527a_100020603323_100000210183 [0,1,1,0,0,0|2,0,0]=4 2905 B12R0.206 CCCCCC#CC(=O)CCCC 1458a_100011215388_100000210211 [0,1,1,0,0,0|1,0,1]=4 2906 B12R0.206 CCCCCC#CC(=O)CCCF 1458a_100011215388_100011934791 [0,1,1,0,0,0|1,0,1]=4 2907 B12R0.206 CCCCCC#CC(=O)CCCO 1458a_100011215388_100011215043 [0,1,1,0,0,0|1,0,1]=4 2908 B12R0.206 CCCCCC#CC(=O)CCOC 1458a_100011215388_100000233755 [0,1,1,0,0,0|1,0,1]=4 2909 B12R0.206 CCCCCC#CC(=O)CCSC 1458a_100011215388_100000751147 [0,1,1,0,0,0|1,0,1]=4 2910 B12R0.206 CCCCCC#CC(=O)NCCC 240690a_100020643023_100011215388 [0,1,1,0,0,0|1,0,1]=4 2911 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,1,1,0,0,0|1,0,1]=4 2912 B12R0.206 CCCCCC=CC(=O)CCCF 1458a_100016263427_100011934791 [0,1,1,0,0,0|1,0,1]=4 2913 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,1,1,0,0,0|1,0,1]=4 2914 B12R0.206 CCCCCC=CC(=O)CCOC 1458a_100016263427_100000233755 [0,1,1,0,0,0|1,0,1]=4 2915 B12R0.206 CCCCCC=CC(=O)CCSC 1458a_100016263427_100000751147 [0,1,1,0,0,0|1,0,1]=4 2916 B12R0.206 CCCCCC=CC(=O)NCCC 11a_100020643023_100016263427 [0,1,1,0,0,0|1,0,1]=4 2917 B12R0.206 CCCCCC=CC(=O)NCCC 1626a_100020643023_100016263427 [0,1,1,0,0,0|1,0,1]=4 2918 B12R0.206 CCCCCC=CC(=O)NCCC 240690a_100020643023_100016263427 [0,1,1,0,0,0|1,0,1]=4 2919 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,1,1,0,0,0|1,0,1]=4 2920 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,1,1,0,0,0|1,0,1]=4 2921 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,1,1,0,0,0|1,0,0]=3 2922 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,1,1,0,0,0|1,0,0]=3 2923 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,1,1,0,0,0|1,0,0]=3 2924 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,1,1,0,0,0|1,0,0]=3 2925 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,1,1,0,0,0|1,0,0]=3 2926 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,1,1,0,0,0|1,0,0]=3 2927 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,1,1,0,0,0|1,0,0]=3 2928 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,1,1,0,0,0|1,0,0]=3 2929 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,1,1,0,0,0|1,0,0]=3 2930 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,1,1,0,0,0|1,0,0]=3 2931 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,1,1,0,0,0|1,0,0]=3 2932 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,1,1,0,0,0|1,0,0]=3 2933 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,1,1,0,0,0|1,0,0]=3 2934 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,1,1,0,0,0|1,0,0]=3 2935 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,1,1,0,0,0|2,0,0]=4 2936 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,1,1,0,0,0|2,0,0]=4 2937 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,1,1,0,0,0|2,0,0]=4 2938 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,1,1,0,0,0|2,0,0]=4 2939 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,1,1,0,0,0|2,0,0]=4 2940 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,1,1,0,0,0|2,0,0]=4 2941 B12R0.206 CCCCCCCC(=O)NNCC 22a_100000756455_100000211969 [0,1,1,0,0,0|2,0,0]=4 2942 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,1,1,0,0,0|2,0,0]=4 2943 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,1,1,0,0,0|2,0,0]=4 2944 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,1,1,0,0,0|2,0,0]=4 2945 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,1,1,0,0,0|2,0,0]=4 2946 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,1,1,0,0,0|2,0,0]=4 2947 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,1,1,0,0,0|2,0,0]=4 2948 B12R0.206 CCCCCCNC(=O)CCC#N 11a_100000210581_100011934036 [0,1,1,0,0,0|1,0,1]=4 2949 B12R0.206 CCCCCCNC(=O)CCC#N 1626a_100000210581_100011934036 [0,1,1,0,0,0|1,0,1]=4 2950 B12R0.206 CCCCCCNC(=O)CCC#N 240690a_100000210581_100011934036 [0,1,1,0,0,0|1,0,1]=4 2951 B12R0.206 CCCCCCNC(=O)CCC#N 527a_100000210581_100011934036 [0,1,1,0,0,0|1,0,1]=4 2952 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,1,1,0,0,0|1,0,0]=3 2953 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,1,1,0,0,0|1,0,0]=3 2954 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,1,1,0,0,0|1,0,0]=3 2955 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,1,1,0,0,0|1,0,0]=3 2956 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,1,1,0,0,0|1,0,0]=3 2957 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,1,1,0,0,0|1,0,0]=3 2958 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,1,1,0,0,0|1,0,0]=3 2959 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,1,1,0,0,0|1,0,0]=3 2960 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,1,1,0,0,0|1,0,0]=3 2961 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,1,1,0,0,0|1,0,0]=3 2962 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,1,1,0,0,0|1,0,0]=3 2963 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,1,1,0,0,0|1,0,0]=3 2964 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [0,1,1,0,0,0|1,0,0]=3 2965 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,1,1,0,0,0|1,0,0]=3 2966 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,1,1,0,0,0|1,0,0]=3 2967 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,1,1,0,0,0|1,0,0]=3 2968 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,1,1,0,0,0|1,0,0]=3 2969 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,1,1,0,0,0|1,0,0]=3 2970 B12R0.206 CCCCCCNC(=O)CSCC 11a_100000210581_100000230394 [0,1,1,0,0,0|1,0,0]=3 2971 B12R0.206 CCCCCCNC(=O)CSCC 1626a_100000210581_100000230394 [0,1,1,0,0,0|1,0,0]=3 2972 B12R0.206 CCCCCCNC(=O)CSCC 240690a_100000210581_100000230394 [0,1,1,0,0,0|1,0,0]=3 2973 B12R0.206 CCCCCCNC(=O)CSCC 527a_100000210581_100000230394 [0,1,1,0,0,0|1,0,0]=3 2974 B12R0.206 CCCCCCNC(=O)CSCC 62a_100000230325_100000210202 [0,1,1,0,0,0|1,0,0]=3 2975 B12R0.206 CCCCCCNC(=O)CSCF 62a_100000230325_100015361967 [0,1,1,0,0,0|2,0,0]=4 2976 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,1,1,0,0,0|1,0,0]=3 2977 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,1,1,0,0,0|1,0,0]=3 2978 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,1,1,0,0,0|1,0,0]=3 2979 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,1,1,0,0,0|1,0,0]=3 2980 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,1,1,0,0,0|1,0,0]=3 2981 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,1,1,0,0,0|1,0,0]=3 2982 B12R0.206 CCCCCCNC(=O)NCCF 2708a_100000210581_100000724931 [0,1,1,0,0,0|2,0,0]=4 2983 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000210581_100000724931 [0,1,1,0,0,0|2,0,0]=4 2984 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000724931_100000210581 [0,1,1,0,0,0|2,0,0]=4 2985 B12R0.206 CCCCCCNC(=O)NCCF 512a_100000210581_100000724931 [0,1,1,0,0,0|2,0,0]=4 2986 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,1,1,0,0,0|2,0,0]=4 2987 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,1,1,0,0,0|2,0,0]=4 2988 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,1,1,0,0,0|2,0,0]=4 2989 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,1,1,0,0,0|2,0,0]=4 2990 B12R0.206 CCCCCCNC(=O)NNCC 273464a_100000210581_100000756455 [0,1,1,0,0,0|2,0,0]=4 2991 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000210581_100000756455 [0,1,1,0,0,0|2,0,0]=4 2992 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000756455_100000210581 [0,1,1,0,0,0|2,0,0]=4 2993 B12R0.206 CCCCCCOC(C)CCCC 34a_100000210259_200011215066 [0,1,1,0,0,0|1,0,1]=4 2994 B12R0.206 CCCCCCOC(C)CCCC 34a_100000687866_100000210314 [0,1,1,0,0,0|1,0,1]=4 2995 B12R0.206 CCCCCCOC(C)CCCC 7a_100000210259_200011215066 [0,1,1,0,0,0|1,0,1]=4 2996 B12R0.206 CCCCCCOC(C)CCCC 7a_100000687866_100000210314 [0,1,1,0,0,0|1,0,1]=4 2997 B12R0.206 CCCCCCOC(C)CCCCl 34a_200000718107_100000210314 [0,1,1,0,0,0|1,0,1]=4 2998 B12R0.206 CCCCCCOC(C)CCCCl 7a_200000718107_100000210314 [0,1,1,0,0,0|1,0,1]=4 2999 B12R0.206 CCCCCCOC(C)COCC 34a_100000718985_100000210314 [0,1,1,0,0,0|1,0,1]=4 3000 B12R0.206 CCCCCCOC(C)COCC 7a_100000718985_100000210314 [0,1,1,0,0,0|1,0,1]=4 3001 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [0,1,1,0,0,0|2,0,0]=4 3002 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [0,1,1,0,0,0|2,0,0]=4 3003 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,1,1,0,0,0|2,0,0]=4 3004 B12R0.206 CCCCCNNC(=O)CCCC 22a_100000694160_100000210183 [0,1,1,0,0,0|2,0,0]=4 3005 B12R0.206 CCCCCNNC(=O)CCOC 22a_100000694160_100000749529 [0,1,1,0,0,0|2,0,0]=4 3006 B12R0.206 CCCCCNNC(=O)CCSC 22a_100000694160_100000174002 [0,1,1,0,0,0|2,0,0]=4 3007 B12R0.206 CCCCCNNC(=O)COCC 22a_100000694160_100000211967 [0,1,1,0,0,0|2,0,0]=4 3008 B12R0.206 CCCCCNNC(=O)CSCC 22a_100000694160_100000230394 [0,1,1,0,0,0|2,0,0]=4 3009 B12R0.206 CCCCCNNC(=O)NCCC 273464a_100020643023_100000694160 [0,1,1,0,0,0|2,0,0]=4 3010 B12R0.206 CCCCCNNC(=O)NCCC 512a_100000694160_100020643023 [0,1,1,0,0,0|2,0,0]=4 3011 B12R0.206 CCCCCNNC(=O)NCCC 512a_100020643023_100000694160 [0,1,1,0,0,0|2,0,0]=4 3012 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [0,1,1,0,0,0|2,0,0]=4 3013 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [0,1,1,0,0,0|2,0,0]=4 3014 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,1,1,0,0,0|2,0,0]=4 3015 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,1,1,0,0,0|2,0,0]=4 3016 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [0,1,1,0,0,0|2,0,0]=4 3017 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [0,1,1,0,0,0|2,0,0]=4 3018 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,1,1,0,0,0|2,0,0]=4 3019 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,1,1,0,0,0|2,0,0]=4 3020 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,1,1,0,0,0|1,0,0]=3 3021 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,1,1,0,0,0|2,0,0]=4 3022 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,1,1,0,0,0|2,0,0]=4 3023 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [0,1,1,0,0,0|2,0,0]=4 3024 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [0,1,1,0,0,0|2,0,0]=4 3025 B12R0.206 CCCCOCCC(=O)CSCC 1458a_100000230394_100000743108 [0,1,1,0,0,0|2,0,0]=4 3026 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,1,1,0,0,0|1,0,0]=3 3027 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,1,1,0,0,0|1,0,0]=3 3028 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,1,1,0,0,0|1,0,0]=3 3029 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [0,1,1,0,0,0|2,0,0]=4 3030 B12R0.206 CCCNC(=O)CCCCCOC 11a_100020643023_100011935119 [0,1,1,0,0,0|2,0,0]=4 3031 B12R0.206 CCCNC(=O)CCCCCOC 1626a_100020643023_100011935119 [0,1,1,0,0,0|2,0,0]=4 3032 B12R0.206 CCCNC(=O)CCCCCOC 240690a_100020643023_100011935119 [0,1,1,0,0,0|2,0,0]=4 3033 B12R0.206 CCCNC(=O)CCCCCOC 527a_100020643023_100011935119 [0,1,1,0,0,0|2,0,0]=4 3034 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [0,1,1,0,0,0|2,0,0]=4 3035 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [0,1,1,0,0,0|2,0,0]=4 3036 B12R0.206 CCCNC(=O)NCCCCCO 2708a_100020643023_100000762737 [0,1,1,0,0,0|2,0,0]=4 3037 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100000762737_100020643023 [0,1,1,0,0,0|2,0,0]=4 3038 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100020643023_100000762737 [0,1,1,0,0,0|2,0,0]=4 3039 B12R0.206 CCCNC(=O)NCCCCCO 512a_100000762737_100020643023 [0,1,1,0,0,0|2,0,0]=4 3040 B12R0.206 CCCNC(=O)NCCCCCO 512a_100020643023_100000762737 [0,1,1,0,0,0|2,0,0]=4 3041 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100000210961_100020643023 [0,1,1,0,0,0|2,0,0]=4 3042 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100020643023_100000210961 [0,1,1,0,0,0|2,0,0]=4 3043 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100000210961_100020643023 [0,1,1,0,0,0|2,0,0]=4 3044 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100020643023_100000210961 [0,1,1,0,0,0|2,0,0]=4 3045 B12R0.206 CCCNC(=O)NCCCOCC 512a_100000210961_100020643023 [0,1,1,0,0,0|2,0,0]=4 3046 B12R0.206 CCCNC(=O)NCCCOCC 512a_100020643023_100000210961 [0,1,1,0,0,0|2,0,0]=4 3047 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100020643023_100161115042 [0,1,1,0,0,0|2,0,0]=4 3048 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100161115042_100020643023 [0,1,1,0,0,0|2,0,0]=4 3049 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100020643023_100161115042 [0,1,1,0,0,0|2,0,0]=4 3050 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100161115042_100020643023 [0,1,1,0,0,0|2,0,0]=4 3051 B12R0.206 CCCNC(=O)NCCOCCC 512a_100020643023_100161115042 [0,1,1,0,0,0|2,0,0]=4 3052 B12R0.206 CCCNC(=O)NCCOCCC 512a_100161115042_100020643023 [0,1,1,0,0,0|2,0,0]=4 3053 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020603323_100020643023 [0,1,1,0,0,0|2,0,0]=4 3054 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020643023_100020603323 [0,1,1,0,0,0|2,0,0]=4 3055 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020603323_100020643023 [0,1,1,0,0,0|2,0,0]=4 3056 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020643023_100020603323 [0,1,1,0,0,0|2,0,0]=4 3057 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020603323_100020643023 [0,1,1,0,0,0|2,0,0]=4 3058 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020643023_100020603323 [0,1,1,0,0,0|2,0,0]=4 3059 B12R0.206 CCCOC(=O)OCNCCCF 34a_100015189416_200000139673 [0,1,1,0,0,0|2,0,0]=4 3060 B12R0.206 CCCOC(=O)OCOCCCBr 34a_100011217188_200000139673 [0,1,1,0,0,0|2,0,0]=4 3061 B12R0.206 CCCOC(=O)OCOCCCCl 34a_100000230001_200000139673 [0,1,1,0,0,0|2,0,0]=4 3062 B12R0.206 CCCOC(=O)OCOCCCF 34a_100000759539_200000139673 [0,1,1,0,0,0|2,0,0]=4 3063 B12R0.206 CCCOC(=O)OCOCCCN 34a_100000182051_200000139673 [0,1,1,0,0,0|2,0,0]=4 3064 B12R0.206 CCCOC(=O)OCOCCOC 34a_100000210237_200000139673 [0,1,1,0,0,0|2,0,0]=4 3065 B12R0.206 CCCOC(=O)OCOCCSC 34a_100000230434_200000139673 [0,1,1,0,0,0|2,0,0]=4 3066 B12R0.206 CCCOC(=O)OCOCCSC 7a_100000230434_200000139673 [0,1,1,0,0,0|2,0,0]=4 3067 B12R0.206 CCCOC(=O)OCSCCCF 62a_100011934791_200000139673 [0,1,1,0,0,0|2,0,0]=4 3068 B12R0.206 CCCOC(=O)OCSCCCO 62a_100011215043_200000139673 [0,1,1,0,0,0|2,0,0]=4 3069 B12R0.206 CCCOC(=O)OCSCCOC 62a_100000233755_200000139673 [0,1,1,0,0,0|2,0,0]=4 3070 B12R0.206 CCCOC(=O)OCSCCSC 62a_100000212216_200000139673 [0,1,1,0,0,0|2,0,0]=4 3071 B12R0.206 CCCOC(=O)OCSCOCC 62a_100000739092_200000139673 [0,1,1,0,0,0|2,0,0]=4 3072 B12R0.206 CCCOCCNC(=O)CCOC 1626a_100161115042_100000749529 [0,1,1,0,0,0|2,0,0]=4 3073 B12R0.206 CCCOCCNC(=O)CCOC 240690a_100161115042_100000749529 [0,1,1,0,0,0|2,0,0]=4 3074 B12R0.206 CCCOCCNC(=O)CCOC 527a_100161115042_100000749529 [0,1,1,0,0,0|2,0,0]=4 3075 B12R0.206 CCCOCCNC(=O)CCSC 1626a_100161115042_100000174002 [0,1,1,0,0,0|2,0,0]=4 3076 B12R0.206 CCCOCCNC(=O)CCSC 240690a_100161115042_100000174002 [0,1,1,0,0,0|2,0,0]=4 3077 B12R0.206 CCCOCCNC(=O)CCSC 527a_100161115042_100000174002 [0,1,1,0,0,0|2,0,0]=4 3078 B12R0.206 CCCOCCNC(=O)COCC 1626a_100161115042_100000211967 [0,1,1,0,0,0|2,0,0]=4 3079 B12R0.206 CCCOCCNC(=O)COCC 240690a_100161115042_100000211967 [0,1,1,0,0,0|2,0,0]=4 3080 B12R0.206 CCCOCCNC(=O)COCC 527a_100161115042_100000211967 [0,1,1,0,0,0|2,0,0]=4 3081 B12R0.206 CCCOCCNC(=O)CSCC 1626a_100161115042_100000230394 [0,1,1,0,0,0|2,0,0]=4 3082 B12R0.206 CCCOCCNC(=O)CSCC 240690a_100161115042_100000230394 [0,1,1,0,0,0|2,0,0]=4 3083 B12R0.206 CCCOCCNC(=O)CSCC 527a_100161115042_100000230394 [0,1,1,0,0,0|2,0,0]=4 3084 B12R0.206 CCCSCCNC(=O)CCOC 11a_100020603323_100000749529 [0,1,1,0,0,0|2,0,0]=4 3085 B12R0.206 CCCSCCNC(=O)CCOC 240690a_100020603323_100000749529 [0,1,1,0,0,0|2,0,0]=4 3086 B12R0.206 CCCSCCNC(=O)CCOC 527a_100020603323_100000749529 [0,1,1,0,0,0|2,0,0]=4 3087 B12R0.206 CCCSCCNC(=O)CCSC 11a_100020603323_100000174002 [0,1,1,0,0,0|2,0,0]=4 3088 B12R0.206 CCCSCCNC(=O)CCSC 240690a_100020603323_100000174002 [0,1,1,0,0,0|2,0,0]=4 3089 B12R0.206 CCCSCCNC(=O)CCSC 527a_100020603323_100000174002 [0,1,1,0,0,0|2,0,0]=4 3090 B12R0.206 CCCSCCNC(=O)COCC 11a_100020603323_100000211967 [0,1,1,0,0,0|2,0,0]=4 3091 B12R0.206 CCCSCCNC(=O)COCC 240690a_100020603323_100000211967 [0,1,1,0,0,0|2,0,0]=4 3092 B12R0.206 CCCSCCNC(=O)COCC 527a_100020603323_100000211967 [0,1,1,0,0,0|2,0,0]=4 3093 B12R0.206 CCCSCCNC(=O)CSCC 11a_100020603323_100000230394 [0,1,1,0,0,0|2,0,0]=4 3094 B12R0.206 CCCSCCNC(=O)CSCC 240690a_100020603323_100000230394 [0,1,1,0,0,0|2,0,0]=4 3095 B12R0.206 CCCSCCNC(=O)CSCC 527a_100020603323_100000230394 [0,1,1,0,0,0|2,0,0]=4 3096 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [0,1,1,0,0,0|2,0,0]=4 3097 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [0,1,1,0,0,0|2,0,0]=4 3098 B12R0.206 CCOCC(=O)NCCCCCO 240690a_100000762737_100000211967 [0,1,1,0,0,0|2,0,0]=4 3099 B12R0.206 CCOCCCNC(=O)CCOC 11a_100000210961_100000749529 [0,1,1,0,0,0|2,0,0]=4 3100 B12R0.206 CCOCCCNC(=O)CCOC 1626a_100000210961_100000749529 [0,1,1,0,0,0|2,0,0]=4 3101 B12R0.206 CCOCCCNC(=O)CCOC 240690a_100000210961_100000749529 [0,1,1,0,0,0|2,0,0]=4 3102 B12R0.206 CCOCCCNC(=O)CCOC 527a_100000210961_100000749529 [0,1,1,0,0,0|2,0,0]=4 3103 B12R0.206 CCOCCCNC(=O)CCSC 11a_100000210961_100000174002 [0,1,1,0,0,0|2,0,0]=4 3104 B12R0.206 CCOCCCNC(=O)CCSC 1626a_100000210961_100000174002 [0,1,1,0,0,0|2,0,0]=4 3105 B12R0.206 CCOCCCNC(=O)CCSC 240690a_100000210961_100000174002 [0,1,1,0,0,0|2,0,0]=4 3106 B12R0.206 CCOCCCNC(=O)CCSC 527a_100000210961_100000174002 [0,1,1,0,0,0|2,0,0]=4 3107 B12R0.206 CCOCCCNC(=O)COCC 11a_100000210961_100000211967 [0,1,1,0,0,0|2,0,0]=4 3108 B12R0.206 CCOCCCNC(=O)COCC 1626a_100000210961_100000211967 [0,1,1,0,0,0|2,0,0]=4 3109 B12R0.206 CCOCCCNC(=O)COCC 240690a_100000210961_100000211967 [0,1,1,0,0,0|2,0,0]=4 3110 B12R0.206 CCOCCCNC(=O)COCC 527a_100000210961_100000211967 [0,1,1,0,0,0|2,0,0]=4 3111 B12R0.206 CCOCCCNC(=O)CSCC 11a_100000210961_100000230394 [0,1,1,0,0,0|2,0,0]=4 3112 B12R0.206 CCOCCCNC(=O)CSCC 1626a_100000210961_100000230394 [0,1,1,0,0,0|2,0,0]=4 3113 B12R0.206 CCOCCCNC(=O)CSCC 240690a_100000210961_100000230394 [0,1,1,0,0,0|2,0,0]=4 3114 B12R0.206 CCOCCCNC(=O)CSCC 527a_100000210961_100000230394 [0,1,1,0,0,0|2,0,0]=4 3115 B12R0.206 CCSCC(=O)CCCCCCF 1458a_100000230394_100015922095 [0,1,1,0,0,0|2,0,0]=4 3116 B12R0.206 CCSCC(=O)CCCCCCO 1458a_100000230394_100000766143 [0,1,1,0,0,0|2,0,0]=4 3117 B12R0.206 CCSCC(=O)NCCCCCO 240690a_100000762737_100000230394 [0,1,1,0,0,0|2,0,0]=4 3118 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,1,1,0,0,0|2,0,0]=4 3119 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,1,1,0,0,0|2,0,0]=4 3120 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,1,1,0,0,0|2,0,0]=4 3121 B12R0.206 COCCC(=O)NCCCCCO 240690a_100000762737_100000749529 [0,1,1,0,0,0|2,0,0]=4 3122 B12R0.206 COCCCCCC(=O)CCCF 1458a_100011935119_100011934791 [0,1,1,0,0,0|2,0,0]=4 3123 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,1,1,0,0,0|2,0,0]=4 3124 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,1,1,0,0,0|2,0,0]=4 3125 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [0,1,1,0,0,0|2,0,0]=4 3126 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [0,1,1,0,0,0|2,0,0]=4 3127 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,1,1,0,0,0|2,0,0]=4 3128 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,1,1,0,0,0|2,0,0]=4 3129 B12R0.206 CSCCC(=O)NCCCCCO 240690a_100000762737_100000174002 [0,1,1,0,0,0|2,0,0]=4 3130 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [0,1,1,0,0,0|2,0,0]=4 3131 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,1,1,0,0,0|2,0,0]=4 3132 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,1,1,0,0,0|1,0,1]=4 3133 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,1,1,0,0,0|1,0,1]=4 3134 B12R0.239 CCCCCC(C)NC(=O)CCC 11a_100000211957_100000211992 [0,1,1,0,0,0|1,0,0]=3 3135 B12R0.239 CCCCCC(C)NC(=O)CCC 1626a_100000211957_100000211992 [0,1,1,0,0,0|1,0,0]=3 3136 B12R0.239 CCCCCC(C)NC(=O)CCC 240690a_100000211957_100000211992 [0,1,1,0,0,0|1,0,0]=3 3137 B12R0.239 CCCCCC(C)NC(=O)CCC 527a_100000211957_100000211992 [0,1,1,0,0,0|1,0,0]=3 3138 B12R0.239 CCCCCC(C)NC(=O)CCO 240690a_100000211957_100011216618 [0,1,1,0,0,0|2,0,0]=4 3139 B12R0.239 CCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230335 [0,1,1,0,0,0|2,0,0]=4 3140 B12R0.239 CCCCCC(C)NC(=O)CNC 34a_100102657272_100000230335 [0,1,1,0,0,0|2,0,0]=4 3141 B12R0.239 CCCCCC(C)NC(=O)CNC 7a_106832991635_100000230335 [0,1,1,0,0,0|2,0,0]=4 3142 B12R0.239 CCCCCC(C)NC(=O)COC 11a_100000211957_100000210968 [0,1,1,0,0,0|2,0,0]=4 3143 B12R0.239 CCCCCC(C)NC(=O)COC 1626a_100000211957_100000210968 [0,1,1,0,0,0|2,0,0]=4 3144 B12R0.239 CCCCCC(C)NC(=O)COC 240690a_100000211957_100000210968 [0,1,1,0,0,0|2,0,0]=4 3145 B12R0.239 CCCCCC(C)NC(=O)COC 34a_100138415774_100000230335 [0,1,1,0,0,0|2,0,0]=4 3146 B12R0.239 CCCCCC(C)NC(=O)COC 527a_100000211957_100000210968 [0,1,1,0,0,0|2,0,0]=4 3147 B12R0.239 CCCCCC(C)NC(=O)CSC 11a_100000211957_100000184570 [0,1,1,0,0,0|2,0,0]=4 3148 B12R0.239 CCCCCC(C)NC(=O)CSC 1626a_100000211957_100000184570 [0,1,1,0,0,0|2,0,0]=4 3149 B12R0.239 CCCCCC(C)NC(=O)CSC 240690a_100000211957_100000184570 [0,1,1,0,0,0|2,0,0]=4 3150 B12R0.239 CCCCCC(C)NC(=O)CSC 527a_100000211957_100000184570 [0,1,1,0,0,0|2,0,0]=4 3151 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_100000230335_200000210301 [0,1,1,0,0,0|2,0,0]=4 3152 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_200000210301_100000230335 [0,1,1,0,0,0|2,0,0]=4 3153 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_100000230335_200025704644 [0,1,1,0,0,0|2,0,0]=4 3154 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230335 [0,1,1,0,0,0|2,0,0]=4 3155 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100000211957_100015525214 [0,1,1,0,0,0|2,0,0]=4 3156 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100015525214_100000211957 [0,1,1,0,0,0|2,0,0]=4 3157 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100000211957_100015525214 [0,1,1,0,0,0|2,0,0]=4 3158 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100015525214_100000211957 [0,1,1,0,0,0|2,0,0]=4 3159 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100000211957_100015525214 [0,1,1,0,0,0|2,0,0]=4 3160 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100015525214_100000211957 [0,1,1,0,0,0|2,0,0]=4 3161 B12R0.239 CCCCCC(C)OC(=O)CNC 2230a_106832991635_200000092394 [0,1,1,0,0,0|1,0,0]=3 3162 B12R0.239 CCCCCC(C)OC(=O)CNC 34a_100102657272_200000092394 [0,1,1,0,0,0|1,0,0]=3 3163 B12R0.239 CCCCCC(C)OC(=O)CNC 7a_106832991635_200000092394 [0,1,1,0,0,0|1,0,0]=3 3164 B12R0.239 CCCCCC(C)OC(=O)COC 34a_100138415774_200000092394 [0,1,1,0,0,0|1,0,0]=3 3165 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000092394_200000210301 [0,1,1,0,0,0|1,0,0]=3 3166 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000210301_200000092394 [0,1,1,0,0,0|1,0,0]=3 3167 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200000092394_200025704644 [0,1,1,0,0,0|1,0,0]=3 3168 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200025704644_200000092394 [0,1,1,0,0,0|1,0,0]=3 3169 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100000764384_200011218191 [0,1,1,0,0,0|1,0,1]=4 3170 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100011215632_100000766640 [0,1,1,0,0,0|1,0,1]=4 3171 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100000764384_200011218191 [0,1,1,0,0,0|1,0,1]=4 3172 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100011215632_100000766640 [0,1,1,0,0,0|1,0,1]=4 3173 B12R0.239 CCCCCN(C)CC(=O)CCC 2230a_100000223495_100000747444 [0,1,1,0,0,0|2,0,0]=4 3174 B12R0.239 CCCCCN(C)CC(=O)CCC 269982a_100000223495_100000747444 [0,1,1,0,0,0|2,0,0]=4 3175 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [0,1,1,0,0,0|2,0,0]=4 3176 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [0,1,1,0,0,0|2,0,0]=4 3177 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [0,1,1,0,0,0|2,0,0]=4 3178 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [0,1,1,0,0,0|2,0,0]=4 3179 B12R0.276 CCCC(=O)OCNCC(C)CC 2230a_100020588543_100000034017 [0,1,1,0,0,0|1,0,0]=3 3180 B12R0.276 CCCC(=O)OCNCC(C)CO 34a_100000744482_100000034017 [0,1,1,0,0,0|2,0,0]=4 3181 B12R0.276 CCCC(=O)OCNCC(O)CC 2230a_100011218483_100000034017 [0,1,1,0,0,0|1,0,0]=3 3182 B12R0.276 CCCC(=O)OCNC[C@@H](C)OC 2230a_100020591295_100000034017 [0,1,1,0,0,0|2,0,0]=4 3183 B12R0.276 CCCC(=O)OCNC[C@@H](F)CO 34a_100015665980_100000034017 [0,1,1,0,0,0|2,0,0]=4 3184 B12R0.276 CCCC(=O)OCNC[C@H](O)CO 2230a_100020644852_100000034017 [0,1,1,0,0,0|2,0,0]=4 3185 B12R0.276 CCCC(=O)OCOCC(=O)CC 34a_100000725409_100000034017 [0,1,1,0,0,0|1,0,1]=4 3186 B12R0.276 CCCC(=O)OCOCC(C)CN 34a_100000744482_100000034017 [0,1,1,0,0,0|2,0,0]=4 3187 B12R0.276 CCCC(=O)OCOCC(C)OC 34a_100000690652_100000034017 [0,1,1,0,0,0|2,0,0]=4 3188 B12R0.276 CCCC(=O)OCOCC(Cl)CCl 34a_100000033668_100000034017 [0,1,1,0,0,0|2,0,0]=4 3189 B12R0.276 CCCC(=O)OCOC[C@H](F)CN 34a_100015665980_100000034017 [0,1,1,0,0,0|2,0,0]=4 3190 B12R0.276 CCCC(=O)OCSCC(=O)CC 62a_100000747405_100000034017 [0,1,1,0,0,0|1,0,1]=4 3191 B12R0.276 CCCC(=O)OCSCC(C)CC 62a_100000748023_100000034017 [0,1,1,0,0,0|1,0,0]=3 3192 B12R0.276 CCCC(=O)OCSCC(O)CC 62a_100011218378_100000034017 [0,1,1,0,0,0|1,0,0]=3 3193 B12R0.276 CCCC(=O)OCSCC(O)CO 62a_100011219619_100000034017 [0,1,1,0,0,0|2,0,0]=4 3194 B12R0.276 CCCC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000034017 [0,1,1,0,0,0|1,0,0]=3 3195 B12R0.276 CCCC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000034017 [0,1,1,0,0,0|2,0,0]=4 3196 B12R0.276 CCCC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000034017 [0,1,1,0,0,0|2,0,0]=4 3197 B12R0.276 CCCC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000034017 [0,1,1,0,0,0|2,0,0]=4 3198 B12R0.276 CCCC(C)OCCCC(C)CC 7a_100011216074_100000766640 [0,1,1,0,0,0|1,0,1]=4 3199 B12R0.276 CCOC(=O)OCSCC(C)CC 62a_100000748023_100000075025 [0,1,1,0,0,0|2,0,0]=4 3200 B12R0.276 CCOC(=O)OCSCC(O)CC 62a_100011218378_100000075025 [0,1,1,0,0,0|2,0,0]=4 3201 B12R0.276 CCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000075025 [0,1,1,0,0,0|2,0,0]=4 3202 B12R0.277 C=C(C)CCOCOC(=O)CCC 34a_100000764851_100000034017 [0,1,1,0,0,0|1,0,1]=4 3203 B12R0.277 C=C(C)CCSCOC(=O)CCC 62a_100000730704_100000034017 [0,1,1,0,0,0|1,0,1]=4 3204 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [0,1,1,0,0,0|2,0,0]=4 3205 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [0,1,1,0,0,0|2,0,0]=4 3206 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [0,1,1,0,0,0|2,0,0]=4 3207 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,1,1,0,0,0|1,0,0]=3 3208 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,1,1,0,0,0|1,0,0]=3 3209 B12R0.277 CCCC(=O)CNCCCC(C)C 2230a_200000737386_100000747444 [0,1,1,0,0,0|2,0,0]=4 3210 B12R0.277 CCCC(=O)COCCCC(C)C 7a_100000210774_100000747444 [0,1,1,0,0,0|2,0,0]=4 3211 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100000747444_100011214892 [0,1,1,0,0,0|2,0,0]=4 3212 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100011214892_100000747444 [0,1,1,0,0,0|2,0,0]=4 3213 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [0,1,1,0,0,0|2,0,0]=4 3214 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [0,1,1,0,0,0|2,0,0]=4 3215 B12R0.277 CCCC(=O)NCCCCN(C)C 240690a_100025707445_100000211992 [0,1,1,0,0,0|2,0,0]=4 3216 B12R0.277 CCCC(=O)NCCCOC(C)C 11a_100000737246_100000211992 [0,1,1,0,0,0|2,0,0]=4 3217 B12R0.277 CCCC(=O)NCCCOC(C)C 1626a_100000737246_100000211992 [0,1,1,0,0,0|2,0,0]=4 3218 B12R0.277 CCCC(=O)NCCCOC(C)C 240690a_100000737246_100000211992 [0,1,1,0,0,0|2,0,0]=4 3219 B12R0.277 CCCC(=O)NCCCOC(C)C 527a_100000737246_100000211992 [0,1,1,0,0,0|2,0,0]=4 3220 B12R0.277 CCCC(=O)OCNCCC(C)O 2230a_200000755665_100000034017 [0,1,1,0,0,0|1,0,0]=3 3221 B12R0.277 CCCC(=O)OCOCCC(=O)C 34a_100000759926_100000034017 [0,1,1,0,0,0|1,0,1]=4 3222 B12R0.277 CCCC(=O)OCOCCC(C)Br 34a_100009893172_100000034017 [0,1,1,0,0,0|1,0,0]=3 3223 B12R0.277 CCCC(=O)OCOCCC(C)C 34a_100000210254_100000034017 [0,1,1,0,0,0|1,0,0]=3 3224 B12R0.277 CCCC(=O)OCOCCC(F)F 34a_100103093639_100000034017 [0,1,1,0,0,0|2,0,0]=4 3225 B12R0.277 CCCC(=O)OCOCC[C@@H](C)N 34a_100000706166_100000034017 [0,1,1,0,0,0|1,0,0]=3 3226 B12R0.277 CCCC(=O)OCSCCC(=O)C 62a_100000053229_100000034017 [0,1,1,0,0,0|1,0,1]=4 3227 B12R0.277 CCCC(=O)OCSCCC(C)C 62a_100000210312_100000034017 [0,1,1,0,0,0|1,0,0]=3 3228 B12R0.277 CCCC(=O)OCSCCC(C)O 62a_100012276601_100000034017 [0,1,1,0,0,0|1,0,0]=3 3229 B12R0.277 CCCC(=O)OCSCOC(C)C 62a_100000709892_100000034017 [0,1,1,0,0,0|2,0,0]=4 3230 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100000764384_100011216152 [0,1,1,0,0,0|1,0,1]=4 3231 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100011214890_100000766640 [0,1,1,0,0,0|1,0,1]=4 3232 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100000764384_100011216152 [0,1,1,0,0,0|1,0,1]=4 3233 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100011214890_100000766640 [0,1,1,0,0,0|1,0,1]=4 3234 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [0,1,1,0,0,0|2,0,0]=4 3235 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [0,1,1,0,0,0|2,0,0]=4 3236 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [0,1,1,0,0,0|2,0,0]=4 3237 B12R0.277 CCOC(=O)OCSCCC(C)C 62a_100000210312_100000075025 [0,1,1,0,0,0|2,0,0]=4 3238 B12R0.277 CCOC(=O)OCSCCC(C)O 62a_100012276601_100000075025 [0,1,1,0,0,0|2,0,0]=4 3239 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [0,1,1,0,0,0|2,0,0]=4 3240 B12R0.277 CSCC(=O)CCCCCC(C)C 1458a_100000184570_100000210682 [0,1,1,0,0,0|2,0,0]=4 3241 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [0,1,1,0,0,0|2,0,0]=4 3242 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [0,1,1,0,0,0|2,0,0]=4 3243 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [0,1,1,0,0,0|2,0,0]=4 3244 B12R0.285 CCCC(=O)OCNC(C)CCC 2230a_100000741246_100000034017 [0,1,1,0,0,0|1,0,0]=3 3245 B12R0.285 CCCC(=O)OCN[C@H](C)CCO 2230a_100000706166_100000034017 [0,1,1,0,0,0|2,0,0]=4 3246 B12R0.285 CCCC(=O)OCN[C@H](C)CCO 34a_100000706166_100000034017 [0,1,1,0,0,0|2,0,0]=4 3247 B12R0.285 CCCC(=O)OCN[C@H](C)COC 2230a_100000764878_100000034017 [0,1,1,0,0,0|2,0,0]=4 3248 B12R0.285 CCCC(=O)OCOC(C)CCBr 34a_100012276601_100000034017 [0,1,1,0,0,0|2,0,0]=4 3249 B12R0.285 CCCC(=O)OCOC(C)CCC 34a_100000764384_100000034017 [0,1,1,0,0,0|1,0,0]=3 3250 B12R0.285 CCCC(=O)OCO[C@H](C)COC 34a_100011934205_100000034017 [0,1,1,0,0,0|2,0,0]=4 3251 B12R0.285 CCCC(=O)OCSC(C)CCC 62a_100000766640_100000034017 [0,1,1,0,0,0|1,0,0]=3 3252 B12R0.285 CCCC(=O)OCSC(C)CCO 62a_100009893172_100000034017 [0,1,1,0,0,0|2,0,0]=4 3253 B12R0.285 CCCC(=O)OCSC(C)COC 62a_100000765312_100000034017 [0,1,1,0,0,0|2,0,0]=4 3254 B12R0.285 CCCC(C)CCOC(C)CCC 34a_100011217855_100000766640 [0,1,1,0,0,0|1,0,1]=4 3255 B12R0.285 CCCC(C)CCOC(C)CCC 7a_100011217855_100000766640 [0,1,1,0,0,0|1,0,1]=4 3256 B12R0.285 CCCC(C)OCC[C@@H](N)CCC 34a_100015193777_100000766640 [0,1,1,0,0,0|1,0,1]=4 3257 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [0,1,1,0,0,0|2,0,0]=4 3258 B12R0.434 CCCCCCNS(=O)(=O)CCC 270084a_100000210581_100000211391 [0,1,1,0,0,0|2,0,0]=4 3259 B12R0.434 CCCCCCNS(=O)(=O)CCC 274078a_100000210581_100000211391 [0,1,1,0,0,0|2,0,0]=4 3260 B12R0.434 CCCCCCNS(=O)(=O)CCC 40a_100000210581_100000054278 [0,1,1,0,0,0|2,0,0]=4 3261 B12R0.434 CCCCCCOC(C)(C)CCC 7a_100000748436_100000210314 [0,1,1,0,0,0|1,0,1]=4 3262 B12R0.94 CCCCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210211 [0,1,1,0,0,0|1,0,1]=4 3263 B12R0.120 CCCCCC(OC(C)C)C(C)C 34a_200011216997_100000210206 [0,1,1,0,0,0|1,0,1]=4 3264 B12R0.120 CCCCCC(OC(C)C)C(C)C 7a_200011216997_100000210206 [0,1,1,0,0,0|1,0,1]=4 3265 B12R0.126 C#CC(C)OC(CC)CCCCC 34a_100011215405_200000035995 [0,1,1,0,0,0|1,0,1]=4 3266 B12R0.126 CCCCCC(CC)OC(C)C#N 7a_100011215405_100000703298 [0,1,1,0,0,0|1,0,1]=4 3267 B12R0.126 CCCCCC(CC)OC(C)CC 34a_100011215405_100011215416 [0,1,1,0,0,0|1,0,1]=4 3268 B12R0.126 CCCCCC(CC)OC(C)CC 7a_100011215405_100000758301 [0,1,1,0,0,0|1,0,1]=4 3269 B12R0.126 CCCCCC(CC)OC(C)CO 34a_100011215405_100012180447 [0,1,1,0,0,0|0,0,2]=4 3270 B12R0.126 CCCCCC(CC)OC(C)CO 7a_100011215405_100012180447 [0,1,1,0,0,0|0,0,2]=4 3271 B12R0.126 CCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210211 [0,1,1,0,0,0|2,0,0]=4 3272 B12R0.202 CCCCCCC(CC)OC(C)C 34a_100011215785_100000210206 [0,1,1,0,0,0|1,0,1]=4 3273 B12R0.202 CCCCCCC(CC)OC(C)C 7a_100011215785_100000210206 [0,1,1,0,0,0|1,0,1]=4 3274 B12R0.202 CCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210326 [0,1,1,0,0,0|2,0,0]=4 3275 B12R0.256 CCCCCC(CCC)OC(C)C 34a_200011215058_100000210206 [0,1,1,0,0,0|1,0,1]=4 3276 B12R0.256 CCCCCC(CCC)OC(C)C 7a_200011215058_100000210206 [0,1,1,0,0,0|1,0,1]=4 3277 B12R0.362 CCCCCC(CC)OC(C)(C)C 34a_100011215405_100000210625 [0,1,1,0,0,0|1,0,1]=4 3278 B12R0.118 C#CCOC(CCC)CCCCC 34a_200011215058_100000184674 [0,1,1,0,0,0|1,0,1]=4 3279 B12R0.118 C#CCOC(CCC)CCCCC 7a_200011215058_100000038162 [0,1,1,0,0,0|1,0,1]=4 3280 B12R0.118 C=CCC(CCCCC)OCC=O 34a_200011216309_200009817547 [0,1,1,0,0,0|0,0,2]=4 3281 B12R0.118 C=CCC(CCCCC)OCC=O 7a_200011216309_200015260668 [0,1,1,0,0,0|0,0,2]=4 3282 B12R0.118 C=CCC(CCCCC)OCCC 34a_200011216309_100000210303 [0,1,1,0,0,0|2,0,0]=4 3283 B12R0.118 C=CCC(CCCCC)OCCC 7a_200011216309_100000210303 [0,1,1,0,0,0|2,0,0]=4 3284 B12R0.118 C=CCNC(CCC)CCCCC 270004a_100020586998_200011216343 [0,1,1,0,0,0|2,0,0]=4 3285 B12R0.118 C=CCOC(CCC)CCCCC 34a_200011215058_100015514636 [0,1,1,0,0,0|1,0,0]=3 3286 B12R0.118 C=CCOC(CCC)CCCCC 7a_200011215058_100015514636 [0,1,1,0,0,0|1,0,0]=3 3287 B12R0.118 CCCCCC(CCC)COCC 34a_100011290854_100000210202 [0,1,1,0,0,0|1,0,1]=4 3288 B12R0.118 CCCCCC(CCC)COCC 7a_100011290854_100000210202 [0,1,1,0,0,0|1,0,1]=4 3289 B12R0.118 CCCCCC(CCC)COCF 34a_100011290854_100015361967 [0,1,1,0,0,0|1,0,1]=4 3290 B12R0.118 CCCCCC(CCC)COCF 7a_100011290854_100015361967 [0,1,1,0,0,0|1,0,1]=4 3291 B12R0.118 CCCCCC(CCC)OCC#N 7a_200011215058_100011215382 [0,1,1,0,0,0|1,0,1]=4 3292 B12R0.118 CCCCCC(CCC)OCC=O 34a_200011215058_200009817547 [0,1,1,0,0,0|0,0,0]=2 3293 B12R0.118 CCCCCC(CCC)OCC=O 7a_200011215058_200015260668 [0,1,1,0,0,0|0,0,0]=2 3294 B12R0.118 CCCCCC(CCC)OCCC 34a_200011215058_100000210303 [0,1,1,0,0,0|1,0,1]=4 3295 B12R0.118 CCCCCC(CCC)OCCC 7a_200011215058_100000210303 [0,1,1,0,0,0|1,0,1]=4 3296 B12R0.118 CCCCCC(CCC)OCCF 34a_200011215058_100011217306 [0,1,1,0,0,0|1,0,1]=4 3297 B12R0.118 CCCCCC(CCC)OCCF 7a_200011215058_100011217306 [0,1,1,0,0,0|1,0,1]=4 3298 B12R0.118 CCCCCC(CCC)OCCO 34a_200011215058_100000211926 [0,1,1,0,0,0|0,0,2]=4 3299 B12R0.118 CCCCCC(CCC)OCCO 7a_200011215058_100000211926 [0,1,1,0,0,0|0,0,2]=4 3300 B12R0.118 CCCCCC(CCC)OCSC 34a_200011215058_100011218213 [0,1,1,0,0,0|0,1,1]=4 3301 B12R0.205 C/C=C/C(CCC)OCCCCC 34a_200016264281_100000718602 [0,1,1,0,0,0|2,0,0]=4 3302 B12R0.205 C/C=C/C(CCC)OCCCCC 7a_200016264281_100000210326 [0,1,1,0,0,0|2,0,0]=4 3303 B12R0.205 C=CCC(CCC)OCCCCC 34a_100011215139_100000718602 [0,1,1,0,0,0|2,0,0]=4 3304 B12R0.205 C=CCC(CCC)OCCCCC 7a_100011215139_100000210326 [0,1,1,0,0,0|2,0,0]=4 3305 B12R0.205 CCCCCCC(CCC)OCC 34a_200011215193_100000210202 [0,1,1,0,0,0|1,0,1]=4 3306 B12R0.205 CCCCCCC(CCC)OCC 7a_200011215193_100000210202 [0,1,1,0,0,0|1,0,1]=4 3307 B12R0.205 CCCCCCC(CCC)OCF 34a_200011215193_100015361967 [0,1,1,0,0,0|1,0,1]=4 3308 B12R0.205 CCCCCCC(CCC)OCF 7a_200011215193_100015361967 [0,1,1,0,0,0|1,0,1]=4 3309 B12R0.647 CCCCCC(C)(CCC)OCC 7a_200011290780_100000210202 [0,1,1,0,0,0|1,0,1]=4 3310 B12R0.647 CCCCCC(C)(CCC)OCF 7a_200011290780_100015361967 [0,1,1,0,0,0|1,0,1]=4 3311 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000211957_100011713584 [0,1,1,0,0,0|2,0,0]=4 3312 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000700776_200011218191 [0,1,1,0,0,0|2,0,0]=4 3313 B12R0.47 C=CCCCNC(C)CCCCC 270004a_100000700776_100000211708 [0,1,1,0,0,0|2,0,0]=4 3314 B12R0.47 C=CCCCNC(C)CCCCC 34a_100000700776_200011218191 [0,1,1,0,0,0|2,0,0]=4 3315 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,1,1,0,0,0|2,0,0]=4 3316 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,1,1,0,0,0|2,0,0]=4 3317 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,1,1,0,0,0|2,0,0]=4 3318 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,1,1,0,0,0|2,0,0]=4 3319 B12R0.47 C=CCCCSC(C)CCCCC 62a_100011713584_200011218191 [0,1,1,0,0,0|2,0,0]=4 3320 B12R0.47 C=CCCCSC(C)CCCCC 62a_200011218191_100000757094 [0,1,1,0,0,0|2,0,0]=4 3321 B12R0.47 CCCCCC(C)NCCCC=O 2230a_100000211957_200011292268 [0,1,1,0,0,0|1,0,0]=3 3322 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [0,1,1,0,0,0|1,0,0]=3 3323 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011218191_200011292268 [0,1,1,0,0,0|1,0,0]=3 3324 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011292268_200011218191 [0,1,1,0,0,0|1,0,0]=3 3325 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [0,1,1,0,0,0|2,0,0]=4 3326 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [0,1,1,0,0,0|2,0,0]=4 3327 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [0,1,1,0,0,0|2,0,0]=4 3328 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [0,1,1,0,0,0|2,0,0]=4 3329 B12R0.47 CN(CCCC=O)CCCCCO 2230a_100000722520_200011292268 [0,1,1,0,0,0|2,0,0]=4 3330 B12R0.47 CN(CCCC=O)CCCCCO 269982a_100000722520_200011292268 [0,1,1,0,0,0|2,0,0]=4 3331 B12R0.47 COCCCC(C)OCCCC=O 7a_200011539412_200011292268 [0,1,1,0,0,0|2,0,0]=4 3332 B12R0.117 CCCCCC(CCCCC)OC 34a_200011216036_200000210301 [0,1,1,0,0,0|1,0,1]=4 3333 B12R0.117 CCCCCC(CCCCC)OC 7a_200011216036_200000210301 [0,1,1,0,0,0|1,0,1]=4 3334 B12R0.117 CCCCCC(CCCCC)O[13CH3] 34a_200011216036_200025704644 [0,1,1,0,0,0|1,0,1]=4 3335 B12R0.117 CCCCCC(CCCCC)O[13CH3] 7a_200011216036_200025704644 [0,1,1,0,0,0|1,0,1]=4 3336 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,1,1,0,0,0|0,0,2]=4 3337 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,1,1,0,0,0|0,0,2]=4 3338 B12R0.233 CCCCCC(C)NCCC(=O)N 2230a_100000211957_100000744528 [0,1,1,0,0,0|2,0,0]=4 3339 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,1,1,0,0,0|2,0,0]=4 3340 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,1,1,0,0,0|2,0,0]=4 3341 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,1,1,0,0,0|2,0,0]=4 3342 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100000757172_200011218191 [0,1,1,0,0,0|2,0,0]=4 3343 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100011215632_100000731001 [0,1,1,0,0,0|2,0,0]=4 3344 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100000757172_200011218191 [0,1,1,0,0,0|2,0,0]=4 3345 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100011215632_100000744528 [0,1,1,0,0,0|2,0,0]=4 3346 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [0,1,1,0,0,0|2,0,0]=4 3347 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [0,1,1,0,0,0|2,0,0]=4 3348 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_100000744528_200011218191 [0,1,1,0,0,0|2,0,0]=4 3349 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_200011218191_100000744528 [0,1,1,0,0,0|2,0,0]=4 3350 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,1,1,0,0,0|2,0,0]=4 3351 B12R0.233 CCCCCN(C)CCCC(=O)N 269982a_100000223495_100102525003 [0,1,1,0,0,0|2,0,0]=4 3352 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,1,1,0,0,0|2,0,0]=4 3353 B12R0.233 CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210211 [0,1,1,0,0,0|2,0,0]=4 3354 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,1,1,0,0,0|1,0,1]=4 3355 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [0,1,1,0,0,0|2,0,0]=4 3356 B12R0.95 CCCCC(C)COCCC(=O)N 34a_100011995851_100000731001 [0,1,1,0,0,0|2,0,0]=4 3357 B12R0.95 CCCCC(C)COCCC(=O)N 7a_100011995851_100000744528 [0,1,1,0,0,0|2,0,0]=4 3358 B12R0.95 CCCCC(C)NCCCC(=O)N 34a_100000739312_200011215066 [0,1,1,0,0,0|2,0,0]=4 3359 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [0,1,1,0,0,0|2,0,0]=4 3360 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [0,1,1,0,0,0|2,0,0]=4 3361 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [0,1,1,0,0,0|2,0,0]=4 3362 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [0,1,1,0,0,0|2,0,0]=4 3363 B12R0.95 CCCCC(C)OCCCC(=O)N 34a_100000687866_100102525003 [0,1,1,0,0,0|2,0,0]=4 3364 B12R0.95 CCCCC(C)OCCCC(=O)N 7a_100000687866_100102525003 [0,1,1,0,0,0|2,0,0]=4 3365 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [0,1,1,0,0,0|2,0,0]=4 3366 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [0,1,1,0,0,0|2,0,0]=4 3367 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_100102525003_200011215066 [0,1,1,0,0,0|2,0,0]=4 3368 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_200011215066_100102525003 [0,1,1,0,0,0|2,0,0]=4 3369 B12R0.95 CCCCN(C)CCCCC(=O)C 269982a_100000207549_100000735457 [0,1,1,0,0,0|2,0,0]=4 3370 B12R0.95 CCCC[C@H](N)COCCC(=O)N 34a_100011934283_100000731001 [0,1,1,0,0,0|2,0,0]=4 3371 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [0,1,1,0,0,0|2,0,0]=4 3372 B12R0.184 CCC(C)CCCOCCC(=O)N 7a_100011216074_100000744528 [0,1,1,0,0,0|2,0,0]=4 3373 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [0,1,1,0,0,0|2,0,0]=4 3374 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [0,1,1,0,0,0|2,0,0]=4 3375 B12R0.184 CCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243153 [0,1,1,0,0,0|2,0,0]=4 3376 B12R0.184 CCC(C)CNCCCCC(=O)N 34a_100000696515_100000748023 [0,1,1,0,0,0|2,0,0]=4 3377 B12R0.184 CCC(C)CNCCOCC(=O)O 269956a_100000700818_100000748023 [0,1,1,0,0,0|2,0,0]=4 3378 B12R0.184 CCC(C)COCCCCC(=O)N 34a_100012022536_100000748023 [0,1,1,0,0,0|2,0,0]=4 3379 B12R0.184 CCC(C)COCCCCC(=O)N 7a_100012022536_100000748023 [0,1,1,0,0,0|2,0,0]=4 3380 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [0,1,1,0,0,0|2,0,0]=4 3381 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [0,1,1,0,0,0|2,0,0]=4 3382 B12R0.184 CCC(C)NCCCCCC(=O)N 2230a_100000209981_100009817443 [0,1,1,0,0,0|2,0,0]=4 3383 B12R0.184 CCC(C)OCCCCCC(=O)N 34a_100000123541_100011215416 [0,1,1,0,0,0|2,0,0]=4 3384 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000123541_100000758301 [0,1,1,0,0,0|2,0,0]=4 3385 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000210228_100009817443 [0,1,1,0,0,0|2,0,0]=4 3386 B12R0.184 CCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000758301 [0,1,1,0,0,0|1,0,1]=4 3387 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100000758301_100009817443 [0,1,1,0,0,0|2,0,0]=4 3388 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100009817443_100000758301 [0,1,1,0,0,0|2,0,0]=4 3389 B12R0.184 CCC(O)CNCCCCC(=O)N 34a_100000696515_100011218378 [0,1,1,0,0,0|2,0,0]=4 3390 B12R0.184 CCC(O)CNCCOCC(=O)O 269956a_100000700818_100011218378 [0,1,1,0,0,0|2,0,0]=4 3391 B12R0.184 CCC(O)COCCCCC(=O)N 34a_100012022536_100011218378 [0,1,1,0,0,0|2,0,0]=4 3392 B12R0.184 CCC(O)COCCCCC(=O)N 7a_100012022536_100011218378 [0,1,1,0,0,0|2,0,0]=4 3393 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100000735457_100011218378 [0,1,1,0,0,0|2,0,0]=4 3394 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100011218378_100000735457 [0,1,1,0,0,0|2,0,0]=4 3395 B12R0.184 CC[C@H](C)CNCCCCC(=O)N 34a_100000696515_100009816398 [0,1,1,0,0,0|2,0,0]=4 3396 B12R0.184 CC[C@H](C)CNCCOCC(=O)O 269956a_100000700818_100009816398 [0,1,1,0,0,0|2,0,0]=4 3397 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [0,1,1,0,0,0|2,0,0]=4 3398 B12R0.184 CC[C@H](C)COCCCCC(=O)N 34a_100012022536_100009816398 [0,1,1,0,0,0|2,0,0]=4 3399 B12R0.184 CC[C@H](C)COCCCCC(=O)N 7a_100012022536_100009816398 [0,1,1,0,0,0|2,0,0]=4 3400 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [0,1,1,0,0,0|2,0,0]=4 3401 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [0,1,1,0,0,0|2,0,0]=4 3402 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,1,1,0,0,0|1,0,1]=4 3403 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,1,1,0,0,0|1,0,1]=4 3404 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,1,1,0,0,0|0,0,2]=4 3405 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,1,1,0,0,0|2,0,0]=4 3406 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,1,1,0,0,0|2,0,0]=4 3407 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,1,1,0,0,0|2,0,0]=4 3408 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,1,1,0,0,0|2,0,0]=4 3409 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,1,1,0,0,0|2,0,0]=4 3410 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,1,1,0,0,0|2,0,0]=4 3411 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,1,1,0,0,0|2,0,0]=4 3412 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,1,1,0,0,0|2,0,0]=4 3413 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,1,1,0,0,0|2,0,0]=4 3414 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,1,1,0,0,0|2,0,0]=4 3415 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,1,1,0,0,0|2,0,0]=4 3416 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,1,1,0,0,0|2,0,0]=4 3417 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,1,1,0,0,0|2,0,0]=4 3418 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,1,1,0,0,0|2,0,0]=4 3419 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,1,1,0,0,0|2,0,0]=4 3420 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,1,1,0,0,0|2,0,0]=4 3421 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,1,1,0,0,0|2,0,0]=4 3422 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,1,1,0,0,0|2,0,0]=4 3423 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,1,1,0,0,0|2,0,0]=4 3424 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,1,1,0,0,0|2,0,0]=4 3425 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,1,1,0,0,0|2,0,0]=4 3426 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,1,1,0,0,0|1,0,1]=4 3427 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,1,1,0,0,0|1,0,1]=4 3428 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,1,1,0,0,0|1,0,1]=4 3429 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,1,1,0,0,0|0,0,2]=4 3430 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,1,1,0,0,0|1,0,1]=4 3431 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,1,1,0,0,0|1,0,1]=4 3432 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,1,1,0,0,0|1,0,0]=3 3433 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,1,0,0,0|1,0,0]=3 3434 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,1,1,0,0,0|2,0,0]=4 3435 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,1,1,0,0,0|2,0,0]=4 3436 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,1,1,0,0,0|2,0,0]=4 3437 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,1,1,0,0,0|2,0,0]=4 3438 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,1,1,0,0,0|2,0,0]=4 3439 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,1,1,0,0,0|2,0,0]=4 3440 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,1,1,0,0,0|2,0,0]=4 3441 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,1,1,0,0,0|2,0,0]=4 3442 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,1,1,0,0,0|2,0,0]=4 3443 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,1,1,0,0,0|2,0,0]=4 3444 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,1,1,0,0,0|2,0,0]=4 3445 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,1,1,0,0,0|2,0,0]=4 3446 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,1,1,0,0,0|2,0,0]=4 3447 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,1,1,0,0,0|2,0,0]=4 3448 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,1,1,0,0,0|2,0,0]=4 3449 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,1,1,0,0,0|2,0,0]=4 3450 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,1,1,0,0,0|2,0,0]=4 3451 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,1,1,0,0,0|2,0,0]=4 3452 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,1,1,0,0,0|2,0,0]=4 3453 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,1,1,0,0,0|2,0,0]=4 3454 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,1,1,0,0,0|2,0,0]=4 3455 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,1,1,0,0,0|2,0,0]=4 3456 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,1,1,0,0,0|2,0,0]=4 3457 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,1,1,0,0,0|2,0,0]=4 3458 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,1,1,0,0,0|2,0,0]=4 3459 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,1,1,0,0,0|2,0,0]=4 3460 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,1,1,0,0,0|2,0,0]=4 3461 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,1,1,0,0,0|2,0,0]=4 3462 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,1,1,0,0,0|2,0,0]=4 3463 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,1,1,0,0,0|2,0,0]=4 3464 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,1,1,0,0,0|2,0,0]=4 3465 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,1,1,0,0,0|2,0,0]=4 3466 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,1,1,0,0,0|2,0,0]=4 3467 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,1,1,0,0,0|2,0,0]=4 3468 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,1,1,0,0,0|2,0,0]=4 3469 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,1,1,0,0,0|2,0,0]=4 3470 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,1,1,0,0,0|2,0,0]=4 3471 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,1,1,0,0,0|2,0,0]=4 3472 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,1,1,0,0,0|2,0,0]=4 3473 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,1,1,0,0,0|2,0,0]=4 3474 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,1,1,0,0,0|2,0,0]=4 3475 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,1,1,0,0,0|1,0,1]=4 3476 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [0,1,1,0,0,0|0,0,2]=4 3477 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,1,1,0,0,0|1,0,1]=4 3478 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,1,1,0,0,0|1,0,1]=4 3479 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,1,0,0,0|1,0,0]=3 3480 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,1,0,0,0|1,0,0]=3 3481 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,1,0,0,0|1,0,0]=3 3482 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,1,1,0,0,0|1,0,0]=3 3483 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,1,1,0,0,0|1,0,0]=3 3484 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,1,1,0,0,0|1,0,0]=3 3485 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,1,1,0,0,0|1,0,0]=3 3486 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,1,1,0,0,0|1,0,0]=3 3487 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,1,1,0,0,0|1,0,0]=3 3488 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,1,1,0,0,0|1,0,0]=3 3489 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,1,0,0,0|0,0,0]=2 3490 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,1,1,0,0,0|0,0,1]=3 3491 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,1,1,0,0,0|1,0,1]=4 3492 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,1,1,0,0,0|1,0,1]=4 3493 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,1,1,0,0,0|1,0,1]=4 3494 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,1,1,0,0,0|1,0,1]=4 3495 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,1,1,0,0,0|1,0,1]=4 3496 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,1,1,0,0,0|1,0,1]=4 3497 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,1,1,0,0,0|1,0,1]=4 3498 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,1,1,0,0,0|1,0,0]=3 3499 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,1,1,0,0,0|1,0,0]=3 3500 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,1,1,0,0,0|1,0,0]=3 3501 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,1,1,0,0,0|1,0,0]=3 3502 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,1,1,0,0,0|1,0,0]=3 3503 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,1,1,0,0,0|0,0,1]=3 3504 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,1,1,0,0,0|1,0,1]=4 3505 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,1,1,0,0,0|1,0,1]=4 3506 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,1,1,0,0,0|1,0,1]=4 3507 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,1,1,0,0,0|1,0,1]=4 3508 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,1,1,0,0,0|1,0,1]=4 3509 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,1,1,0,0,0|1,0,0]=3 3510 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,1,1,0,0,0|1,0,0]=3 3511 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,1,1,0,0,0|0,0,1]=3 3512 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,1,1,0,0,0|0,0,1]=3 3513 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,1,1,0,0,0|1,0,1]=4 3514 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,1,1,0,0,0|1,0,1]=4 3515 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,1,1,0,0,0|1,0,1]=4 3516 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,1,1,0,0,0|1,0,1]=4 3517 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,1,1,0,0,0|1,0,1]=4 3518 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,1,1,0,0,0|1,0,0]=3 3519 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,1,1,0,0,0|1,0,1]=4 3520 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,1,1,0,0,0|1,0,1]=4 3521 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,1,1,0,0,0|1,0,0]=3 3522 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,1,0,0,0|1,0,0]=3 3523 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,1,0,0,0|1,0,0]=3 3524 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,1,0,0,0|1,0,0]=3 3525 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,1,1,0,0,0|1,0,0]=3 3526 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,1,1,0,0,0|1,0,0]=3 3527 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,1,1,0,0,0|1,0,0]=3 3528 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,1,1,0,0,0|1,0,0]=3 3529 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,1,1,0,0,0|1,0,1]=4 3530 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,1,1,0,0,0|1,0,1]=4 3531 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,1,1,0,0,0|2,0,0]=4 3532 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,1,1,0,0,0|1,0,0]=3 3533 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,1,1,0,0,0|1,0,0]=3 3534 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,1,1,0,0,0|1,0,0]=3 3535 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,1,1,0,0,0|1,0,0]=3 3536 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,1,1,0,0,0|1,0,1]=4 3537 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,1,1,0,0,0|1,0,1]=4 3538 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,1,1,0,0,0|2,0,0]=4 3539 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,1,1,0,0,0|2,0,0]=4 3540 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,1,1,0,0,0|1,0,0]=3 3541 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,1,1,0,0,0|1,0,1]=4 3542 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,1,1,0,0,0|2,0,0]=4 3543 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,1,1,0,0,0|2,0,0]=4 3544 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,1,1,0,0,0|2,0,0]=4 3545 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,1,1,0,0,0|2,0,0]=4 3546 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,1,1,0,0,0|2,0,0]=4 3547 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,1,1,0,0,0|1,0,0]=3 3548 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,1,1,0,0,0|1,0,0]=3 3549 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,1,1,0,0,0|1,0,0]=3 3550 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,1,1,0,0,0|1,0,0]=3 3551 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,1,1,0,0,0|1,0,0]=3 3552 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,1,1,0,0,0|1,0,0]=3 3553 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,1,1,0,0,0|1,0,1]=4 3554 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,1,1,0,0,0|1,0,1]=4 3555 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,1,1,0,0,0|1,0,1]=4 3556 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,1,1,0,0,0|2,0,0]=4 3557 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,1,1,0,0,0|2,0,0]=4 3558 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,1,1,0,0,0|2,0,0]=4 3559 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,1,1,0,0,0|2,0,0]=4 3560 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,1,1,0,0,0|2,0,0]=4 3561 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,1,1,0,0,0|2,0,0]=4 3562 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,1,1,0,0,0|2,0,0]=4 3563 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,1,1,0,0,0|2,0,0]=4 3564 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,1,1,0,0,0|2,0,0]=4 3565 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,1,1,0,0,0|1,0,0]=3 3566 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,1,1,0,0,0|1,0,0]=3 3567 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,1,1,0,0,0|1,0,0]=3 3568 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,1,1,0,0,0|1,0,0]=3 3569 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,1,1,0,0,0|1,0,1]=4 3570 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,1,1,0,0,0|1,0,1]=4 3571 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,1,1,0,0,0|2,0,0]=4 3572 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,1,1,0,0,0|2,0,0]=4 3573 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,1,1,0,0,0|2,0,0]=4 3574 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,1,1,0,0,0|2,0,0]=4 3575 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,1,1,0,0,0|2,0,0]=4 3576 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,1,1,0,0,0|2,0,0]=4 3577 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,1,1,0,0,0|2,0,0]=4 3578 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,1,1,0,0,0|2,0,0]=4 3579 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [0,1,1,0,0,0|1,0,1]=4 3580 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,1,1,0,0,0|1,0,0]=3 3581 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,1,1,0,0,0|2,0,0]=4 3582 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,1,1,0,0,0|2,0,0]=4 3583 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,1,1,0,0,0|2,0,0]=4 3584 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,1,1,0,0,0|2,0,0]=4 3585 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,1,1,0,0,0|1,0,0]=3 3586 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,1,1,0,0,0|1,0,1]=4 3587 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [0,1,1,0,0,0|1,0,1]=4 3588 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [0,1,1,0,0,0|1,0,1]=4 3589 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,1,1,0,0,0|1,0,0]=3 3590 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,1,1,0,0,0|1,0,0]=3 3591 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,1,1,0,0,0|1,0,0]=3 3592 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,1,1,0,0,0|1,0,0]=3 3593 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,1,1,0,0,0|1,0,1]=4 3594 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,1,1,0,0,0|1,0,1]=4 3595 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,1,1,0,0,0|2,0,0]=4 3596 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,1,1,0,0,0|2,0,0]=4 3597 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,1,1,0,0,0|2,0,0]=4 3598 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,1,1,0,0,0|2,0,0]=4 3599 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,1,1,0,0,0|2,0,0]=4 3600 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,1,1,0,0,0|2,0,0]=4 3601 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,1,1,0,0,0|2,0,0]=4 3602 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,1,1,0,0,0|2,0,0]=4 3603 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,1,1,0,0,0|2,0,0]=4 3604 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,1,1,0,0,0|1,0,1]=4 3605 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [0,1,1,0,0,0|1,0,1]=4 3606 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [0,1,1,0,0,0|1,0,1]=4 3607 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,1,1,0,0,0|1,0,0]=3 3608 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,1,1,0,0,0|1,0,0]=3 3609 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,1,1,0,0,0|2,0,0]=4 3610 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,1,1,0,0,0|2,0,0]=4 3611 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,1,1,0,0,0|2,0,0]=4 3612 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,1,1,0,0,0|2,0,0]=4 3613 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,1,1,0,0,0|2,0,0]=4 3614 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,1,1,0,0,0|2,0,0]=4 3615 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [0,1,1,0,0,0|1,0,1]=4 3616 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [0,1,1,0,0,0|1,0,1]=4 3617 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,1,1,0,0,0|1,0,0]=3 3618 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,1,1,0,0,0|1,0,0]=3 3619 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,1,1,0,0,0|2,0,0]=4 3620 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,1,1,0,0,0|2,0,0]=4 3621 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,1,1,0,0,0|2,0,0]=4 3622 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,1,1,0,0,0|2,0,0]=4 3623 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,1,1,0,0,0|2,0,0]=4 3624 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [0,1,1,0,0,0|1,0,1]=4 3625 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [0,1,1,0,0,0|1,0,1]=4 3626 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,1,1,0,0,0|1,0,0]=3 3627 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,1,1,0,0,0|1,0,0]=3 3628 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,1,1,0,0,0|1,0,0]=3 3629 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,1,1,0,0,0|1,0,0]=3 3630 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,1,1,0,0,0|0,0,1]=3 3631 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,1,1,0,0,0|2,0,0]=4 3632 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,1,1,0,0,0|2,0,0]=4 3633 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,1,1,0,0,0|2,0,0]=4 3634 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,1,1,0,0,0|2,0,0]=4 3635 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,1,1,0,0,0|2,0,0]=4 3636 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,1,1,0,0,0|2,0,0]=4 3637 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,1,1,0,0,0|2,0,0]=4 3638 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,1,1,0,0,0|2,0,0]=4 3639 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,1,1,0,0,0|1,0,1]=4 3640 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,1,1,0,0,0|2,0,0]=4 3641 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,1,1,0,0,0|2,0,0]=4 3642 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,1,1,0,0,0|1,0,1]=4 3643 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,1,1,0,0,0|2,0,0]=4 3644 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,1,1,0,0,0|2,0,0]=4 3645 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,1,1,0,0,0|2,0,0]=4 3646 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,1,1,0,0,0|2,0,0]=4 3647 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,1,1,0,0,0|2,0,0]=4 3648 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,1,1,0,0,0|2,0,0]=4 3649 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,1,1,0,0,0|2,0,0]=4 3650 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,1,1,0,0,0|2,0,0]=4 3651 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,1,1,0,0,0|2,0,0]=4 3652 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,1,1,0,0,0|2,0,0]=4 3653 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,1,1,0,0,0|2,0,0]=4 3654 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,1,1,0,0,0|2,0,0]=4 3655 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,1,1,0,0,0|2,0,0]=4 3656 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,1,1,0,0,0|2,0,0]=4 3657 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,1,1,0,0,0|2,0,0]=4 3658 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,1,1,0,0,0|2,0,0]=4 3659 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,1,1,0,0,0|2,0,0]=4 3660 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,1,1,0,0,0|2,0,0]=4 3661 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [0,1,1,0,0,0|1,0,1]=4 3662 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [0,1,1,0,0,0|1,0,1]=4 3663 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,1,1,0,0,0|1,0,0]=3 3664 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,1,1,0,0,0|1,0,0]=3 3665 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,1,1,0,0,0|2,0,0]=4 3666 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,1,1,0,0,0|2,0,0]=4 3667 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,1,1,0,0,0|2,0,0]=4 3668 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,1,1,0,0,0|2,0,0]=4 3669 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [0,1,1,0,0,0|2,0,0]=4 3670 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,1,1,0,0,0|2,0,0]=4 3671 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [0,1,1,0,0,0|2,0,0]=4 3672 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [0,1,1,0,0,0|2,0,0]=4 3673 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,1,1,0,0,0|2,0,0]=4 3674 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,1,1,0,0,0|2,0,0]=4 3675 B12R0.234 CCCOCCCCCCB(O)O 34a_100000210258_100009817187 [0,1,1,0,0,0|1,0,1]=4 3676 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,1,1,0,0,0|2,0,0]=4 3677 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [0,1,1,0,0,0|2,0,0]=4 3678 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [0,1,1,0,0,0|2,0,0]=4 3679 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,1,1,0,0,0|2,0,0]=4 3680 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [0,1,1,0,0,0|2,0,0]=4 3681 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [0,1,1,0,0,0|2,0,0]=4 3682 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,1,1,0,0,0|2,0,0]=4 3683 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,1,1,0,0,0|2,0,0]=4 3684 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,1,1,0,0,0|2,0,0]=4 3685 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,1,1,0,0,0|2,0,0]=4 3686 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,1,1,0,0,0|2,0,0]=4 3687 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,1,1,0,0,0|2,0,0]=4 3688 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,1,1,0,0,0|2,0,0]=4 3689 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,1,1,0,0,0|2,0,0]=4 3690 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [0,1,1,0,0,0|2,0,0]=4 3691 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [0,1,1,0,0,0|2,0,0]=4 3692 B12R0.234 CCCSCCCCCCB(O)O 62a_100000210303_100009817187 [0,1,1,0,0,0|1,0,1]=4 3693 B12R0.234 CCCSCCCCCCB(O)O 62a_100009817187_100000210303 [0,1,1,0,0,0|1,0,1]=4 3694 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,1,1,0,0,0|2,0,0]=4 3695 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,1,1,0,0,0|2,0,0]=4 3696 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,1,1,0,0,0|2,0,0]=4 3697 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,1,1,0,0,0|2,0,0]=4 3698 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,1,1,0,0,0|2,0,0]=4 3699 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,1,1,0,0,0|2,0,0]=4 3700 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,1,1,0,0,0|2,0,0]=4 3701 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,1,1,0,0,0|2,0,0]=4 3702 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,1,1,0,0,0|2,0,0]=4 3703 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,1,1,0,0,0|2,0,0]=4 3704 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [0,1,1,0,0,0|2,0,0]=4 3705 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [0,1,1,0,0,0|2,0,0]=4 3706 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,1,1,0,0,0|2,0,0]=4 3707 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,1,1,0,0,0|2,0,0]=4 3708 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,1,1,0,0,0|2,0,0]=4 3709 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,1,1,0,0,0|2,0,0]=4 3710 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,1,1,0,0,0|2,0,0]=4 3711 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,1,1,0,0,0|2,0,0]=4 3712 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,1,1,0,0,0|2,0,0]=4 3713 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,1,1,0,0,0|2,0,0]=4 3714 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [0,1,1,0,0,0|2,0,0]=4 3715 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [0,1,1,0,0,0|2,0,0]=4 3716 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,1,1,0,0,0|2,0,0]=4 3717 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [0,1,1,0,0,0|2,0,0]=4 3718 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,1,1,0,0,0|2,0,0]=4 3719 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,1,1,0,0,0|2,0,0]=4 3720 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,1,1,0,0,0|2,0,0]=4 3721 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [0,1,1,0,0,0|2,0,0]=4 3722 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [0,1,1,0,0,0|2,0,0]=4 3723 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [0,1,1,0,0,0|2,0,0]=4 3724 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,1,1,0,0,0|2,0,0]=4 3725 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,1,1,0,0,0|2,0,0]=4 3726 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [0,1,1,0,0,0|2,0,0]=4 3727 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [0,1,1,0,0,0|2,0,0]=4 3728 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,1,1,0,0,0|2,0,0]=4 3729 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,1,1,0,0,0|2,0,0]=4 3730 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,1,1,0,0,0|2,0,0]=4 3731 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,1,1,0,0,0|2,0,0]=4 3732 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [0,1,1,0,0,0|2,0,0]=4 3733 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,1,1,0,0,0|2,0,0]=4 3734 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,1,1,0,0,0|2,0,0]=4 3735 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,1,1,0,0,0|2,0,0]=4 3736 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [0,1,1,0,0,0|2,0,0]=4 3737 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [0,1,1,0,0,0|2,0,0]=4 3738 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,1,1,0,0,0|2,0,0]=4 3739 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,1,1,0,0,0|2,0,0]=4 3740 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,1,1,0,0,0|2,0,0]=4 3741 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,1,1,0,0,0|2,0,0]=4 3742 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,1,1,0,0,0|2,0,0]=4 3743 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,1,1,0,0,0|1,0,0]=3 3744 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,1,1,0,0,0|2,0,0]=4 3745 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,1,1,0,0,0|2,0,0]=4 3746 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,1,1,0,0,0|2,0,0]=4 3747 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,1,1,0,0,0|1,0,1]=4 3748 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,1,1,0,0,0|2,0,0]=4 3749 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,1,1,0,0,0|2,0,0]=4 3750 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,1,1,0,0,0|1,0,1]=4 3751 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,1,1,0,0,0|1,0,1]=4 3752 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,1,1,0,0,0|2,0,0]=4 3753 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,1,1,0,0,0|2,0,0]=4 3754 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,1,1,0,0,0|2,0,0]=4 3755 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,1,1,0,0,0|2,0,0]=4 3756 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,1,1,0,0,0|2,0,0]=4 3757 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,1,1,0,0,0|2,0,0]=4 3758 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,1,1,0,0,0|2,0,0]=4 3759 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,1,1,0,0,0|2,0,0]=4 3760 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,1,1,0,0,0|2,0,0]=4 3761 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,1,1,0,0,0|2,0,0]=4 3762 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,1,1,0,0,0|2,0,0]=4 3763 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,1,1,0,0,0|2,0,0]=4 3764 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,1,1,0,0,0|2,0,0]=4 3765 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,1,1,0,0,0|2,0,0]=4 3766 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,1,1,0,0,0|2,0,0]=4 3767 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,1,1,0,0,0|2,0,0]=4 3768 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,1,1,0,0,0|2,0,0]=4 3769 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,1,1,0,0,0|2,0,0]=4 3770 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,1,1,0,0,0|2,0,0]=4 3771 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,1,1,0,0,0|2,0,0]=4 3772 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,1,1,0,0,0|2,0,0]=4 3773 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,1,1,0,0,0|2,0,0]=4 3774 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,1,1,0,0,0|2,0,0]=4 3775 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,1,1,0,0,0|1,0,1]=4 3776 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,1,1,0,0,0|2,0,0]=4 3777 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,1,1,0,0,0|2,0,0]=4 3778 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,1,1,0,0,0|2,0,0]=4 3779 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,1,1,0,0,0|2,0,0]=4 3780 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,1,1,0,0,0|2,0,0]=4 3781 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,1,1,0,0,0|2,0,0]=4 3782 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,1,1,0,0,0|2,0,0]=4 3783 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,1,1,0,0,0|2,0,0]=4 3784 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,1,1,0,0,0|2,0,0]=4 3785 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,1,1,0,0,0|2,0,0]=4 3786 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,1,1,0,0,0|2,0,0]=4 3787 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,1,1,0,0,0|2,0,0]=4 3788 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,1,1,0,0,0|2,0,0]=4 3789 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,1,1,0,0,0|2,0,0]=4 3790 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,1,1,0,0,0|1,0,1]=4 3791 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,1,1,0,0,0|2,0,0]=4 3792 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,1,1,0,0,0|2,0,0]=4 3793 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,1,1,0,0,0|1,0,1]=4 3794 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,1,1,0,0,0|2,0,0]=4 3795 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,1,1,0,0,0|2,0,0]=4 3796 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,1,1,0,0,0|2,0,0]=4 3797 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,1,1,0,0,0|2,0,0]=4 3798 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,1,1,0,0,0|2,0,0]=4 3799 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,1,1,0,0,0|2,0,0]=4 3800 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,1,1,0,0,0|2,0,0]=4 3801 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,1,1,0,0,0|2,0,0]=4 3802 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,1,1,0,0,0|2,0,0]=4 3803 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,1,1,0,0,0|2,0,0]=4 3804 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,1,1,0,0,0|2,0,0]=4 3805 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,1,1,0,0,0|2,0,0]=4 3806 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,1,1,0,0,0|2,0,0]=4 3807 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,1,1,0,0,0|2,0,0]=4 3808 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,1,1,0,0,0|2,0,0]=4 3809 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,1,1,0,0,0|2,0,0]=4 3810 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,1,1,0,0,0|2,0,0]=4 3811 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,1,1,0,0,0|2,0,0]=4 3812 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,1,1,0,0,0|2,0,0]=4 3813 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,1,1,0,0,0|2,0,0]=4 3814 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,1,1,0,0,0|2,0,0]=4 3815 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,1,1,0,0,0|2,0,0]=4 3816 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,1,1,0,0,0|2,0,0]=4 3817 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,1,1,0,0,0|2,0,0]=4 3818 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,1,1,0,0,0|2,0,0]=4 3819 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,1,1,0,0,0|2,0,0]=4 3820 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,1,1,0,0,0|2,0,0]=4 3821 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,1,1,0,0,0|2,0,0]=4 3822 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,1,1,0,0,0|2,0,0]=4 3823 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,1,1,0,0,0|2,0,0]=4 3824 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,1,1,0,0,0|2,0,0]=4 3825 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,1,1,0,0,0|2,0,0]=4 3826 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,1,1,0,0,0|2,0,0]=4 3827 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,1,1,0,0,0|2,0,0]=4 3828 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,1,1,0,0,0|2,0,0]=4 3829 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,1,1,0,0,0|2,0,0]=4 3830 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,1,1,0,0,0|2,0,0]=4 3831 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,1,1,0,0,0|2,0,0]=4 3832 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,1,1,0,0,0|2,0,0]=4 3833 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,1,1,0,0,0|2,0,0]=4 3834 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,1,1,0,0,0|2,0,0]=4 3835 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,1,1,0,0,0|2,0,0]=4 3836 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,1,1,0,0,0|2,0,0]=4 3837 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,1,1,0,0,0|2,0,0]=4 3838 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,1,1,0,0,0|2,0,0]=4 3839 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,1,1,0,0,0|2,0,0]=4 3840 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,1,1,0,0,0|2,0,0]=4 3841 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,1,1,0,0,0|2,0,0]=4 3842 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,1,1,0,0,0|2,0,0]=4 3843 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,1,1,0,0,0|2,0,0]=4 3844 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,1,1,0,0,0|2,0,0]=4 3845 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,1,1,0,0,0|2,0,0]=4 3846 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,1,1,0,0,0|2,0,0]=4 3847 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,1,1,0,0,0|2,0,0]=4 3848 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,1,1,0,0,0|2,0,0]=4 3849 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,1,1,0,0,0|2,0,0]=4 3850 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,1,1,0,0,0|1,0,1]=4 3851 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,1,1,0,0,0|2,0,0]=4 3852 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,1,1,0,0,0|2,0,0]=4 3853 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,1,1,0,0,0|2,0,0]=4 3854 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,1,1,0,0,0|1,0,0]=3 3855 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,1,1,0,0,0|2,0,0]=4 3856 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,1,1,0,0,0|2,0,0]=4 3857 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,1,1,0,0,0|2,0,0]=4 3858 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,1,1,0,0,0|2,0,0]=4 3859 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,1,1,0,0,0|1,0,1]=4 3860 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,1,1,0,0,0|1,0,1]=4 3861 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,1,1,0,0,0|1,0,1]=4 3862 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,1,1,0,0,0|1,0,1]=4 3863 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,1,1,0,0,0|1,0,1]=4 3864 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,1,1,0,0,0|1,0,1]=4 3865 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,1,1,0,0,0|1,0,0]=3 3866 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,1,1,0,0,0|1,0,0]=3 3867 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,1,1,0,0,0|2,0,0]=4 3868 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,1,1,0,0,0|0,0,2]=4 3869 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,1,0,0,0|1,0,0]=3 3870 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,1,1,0,0,0|2,0,0]=4 3871 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,1,1,0,0,0|2,0,0]=4 3872 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,1,1,0,0,0|2,0,0]=4 3873 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,1,1,0,0,0|0,0,2]=4 3874 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,1,1,0,0,0|2,0,0]=4 3875 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,1,1,0,0,0|0,0,2]=4 3876 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,1,0,0,0|1,0,0]=3 3877 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,1,0,0,0|1,0,0]=3 3878 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,1,1,0,0,0|1,0,0]=3 3879 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,1,0,0,0|0,0,0]=2 3880 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,1,0,0,0|1,0,0]=3 3881 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,1,0,0,0|1,0,0]=3 3882 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,1,0,0,0|1,0,0]=3 3883 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,1,0,0,0|1,0,0]=3 3884 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,1,1,0,0,0|1,0,1]=4 3885 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,1,1,0,0,0|1,0,1]=4 3886 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,1,1,0,0,0|1,0,1]=4 3887 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,1,1,0,0,0|1,0,1]=4 3888 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,1,1,0,0,0|2,0,0]=4 3889 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,1,1,0,0,0|2,0,0]=4 3890 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,1,1,0,0,0|2,0,0]=4 3891 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,1,1,0,0,0|2,0,0]=4 3892 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,1,1,0,0,0|1,0,0]=3 3893 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,1,1,0,0,0|1,0,0]=3 3894 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,1,1,0,0,0|2,0,0]=4 3895 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,1,1,0,0,0|2,0,0]=4 3896 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,1,1,0,0,0|2,0,0]=4 3897 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,1,1,0,0,0|2,0,0]=4 3898 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,1,1,0,0,0|2,0,0]=4 3899 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,1,1,0,0,0|2,0,0]=4 3900 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,1,1,0,0,0|2,0,0]=4 3901 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,1,1,0,0,0|2,0,0]=4 3902 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,1,1,0,0,0|1,0,0]=3 3903 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,1,1,0,0,0|2,0,0]=4 3904 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,1,1,0,0,0|2,0,0]=4 3905 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,1,1,0,0,0|2,0,0]=4 3906 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,1,1,0,0,0|2,0,0]=4 3907 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,1,1,0,0,0|2,0,0]=4 3908 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,1,1,0,0,0|1,0,0]=3 3909 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,1,1,0,0,0|1,0,0]=3 3910 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,1,1,0,0,0|2,0,0]=4 3911 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,1,1,0,0,0|2,0,0]=4 3912 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,1,1,0,0,0|2,0,0]=4 3913 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,1,1,0,0,0|2,0,0]=4 3914 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,1,1,0,0,0|1,0,0]=3 3915 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,1,1,0,0,0|1,0,0]=3 3916 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,1,1,0,0,0|2,0,0]=4 3917 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,1,1,0,0,0|2,0,0]=4 3918 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,1,1,0,0,0|2,0,0]=4 3919 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,1,1,0,0,0|1,0,0]=3 3920 B12R0.248 CCCCCCOCCC(=NO)N 34a_100000749954_100000210314 [0,1,1,0,0,0|2,0,0]=4 3921 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,1,1,0,0,0|2,0,0]=4 3922 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,1,1,0,0,0|2,0,0]=4 3923 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,1,1,0,0,0|2,0,0]=4 3924 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,1,1,0,0,0|1,0,0]=3 3925 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,1,1,0,0,0|1,0,0]=3 3926 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,1,1,0,0,0|2,0,0]=4 3927 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,1,1,0,0,0|2,0,0]=4 3928 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,1,1,0,0,0|1,0,0]=3 3929 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,1,1,0,0,0|1,0,0]=3 3930 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,1,1,0,0,0|2,0,0]=4 3931 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,1,1,0,0,0|2,0,0]=4 3932 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,1,1,0,0,0|2,0,0]=4 3933 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,1,1,0,0,0|2,0,0]=4 3934 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,1,1,0,0,0|1,0,0]=3 3935 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,1,1,0,0,0|2,0,0]=4 3936 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,1,1,0,0,0|2,0,0]=4 3937 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,1,1,0,0,0|2,0,0]=4 3938 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,1,1,0,0,0|1,0,0]=3 3939 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,1,1,0,0,0|1,0,0]=3 3940 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,1,1,0,0,0|2,0,0]=4 3941 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,1,1,0,0,0|2,0,0]=4 3942 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,1,1,0,0,0|2,0,0]=4 3943 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,1,1,0,0,0|2,0,0]=4 3944 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,1,1,0,0,0|1,0,0]=3 3945 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,1,1,0,0,0|1,0,0]=3 3946 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,1,1,0,0,0|1,0,0]=3 3947 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,1,1,0,0,0|1,0,0]=3 3948 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,1,1,0,0,0|2,0,0]=4 3949 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,1,1,0,0,0|2,0,0]=4 3950 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,1,1,0,0,0|1,0,0]=3 3951 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,1,1,0,0,0|1,0,0]=3 3952 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,1,1,0,0,0|1,0,0]=3 3953 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,1,1,0,0,0|1,0,0]=3 3954 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,1,1,0,0,0|2,0,0]=4 3955 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,1,1,0,0,0|2,0,0]=4 3956 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,1,1,0,0,0|2,0,0]=4 3957 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,1,1,0,0,0|2,0,0]=4 3958 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,1,1,0,0,0|2,0,0]=4 3959 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,1,1,0,0,0|2,0,0]=4 3960 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,1,1,0,0,0|2,0,0]=4 3961 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,1,1,0,0,0|2,0,0]=4 3962 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,1,1,0,0,0|2,0,0]=4 3963 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,1,1,0,0,0|2,0,0]=4 3964 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,1,1,0,0,0|1,0,0]=3 3965 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,1,1,0,0,0|1,0,0]=3 3966 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,1,1,0,0,0|2,0,0]=4 3967 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,1,1,0,0,0|2,0,0]=4 3968 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,1,1,0,0,0|2,0,0]=4 3969 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,1,1,0,0,0|2,0,0]=4 3970 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,1,1,0,0,0|2,0,0]=4 3971 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,1,1,0,0,0|1,0,0]=3 3972 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,1,1,0,0,0|1,0,0]=3 3973 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,1,1,0,0,0|1,0,0]=3 3974 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,1,1,0,0,0|2,0,0]=4 3975 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,1,1,0,0,0|2,0,0]=4 3976 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,1,1,0,0,0|2,0,0]=4 3977 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,1,1,0,0,0|2,0,0]=4 3978 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,1,1,0,0,0|2,0,0]=4 3979 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,1,1,0,0,0|2,0,0]=4 3980 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,1,1,0,0,0|2,0,0]=4 3981 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,1,1,0,0,0|2,0,0]=4 3982 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,1,1,0,0,0|1,0,0]=3 3983 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,1,1,0,0,0|1,0,0]=3 3984 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,1,1,0,0,0|2,0,0]=4 3985 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,1,1,0,0,0|2,0,0]=4 3986 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,1,1,0,0,0|2,0,0]=4 3987 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,1,1,0,0,0|1,0,0]=3 3988 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,1,1,0,0,0|1,0,0]=3 3989 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,1,1,0,0,0|1,0,0]=3 3990 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,1,1,0,0,0|1,0,0]=3 3991 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,1,1,0,0,0|2,0,0]=4 3992 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,1,1,0,0,0|2,0,0]=4 3993 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,1,1,0,0,0|2,0,0]=4 3994 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,1,1,0,0,0|2,0,0]=4 3995 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,1,1,0,0,0|2,0,0]=4 3996 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,1,1,0,0,0|2,0,0]=4 3997 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,1,1,0,0,0|2,0,0]=4 3998 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,1,1,0,0,0|2,0,0]=4 3999 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,1,1,0,0,0|2,0,0]=4 4000 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,1,1,0,0,0|2,0,0]=4 4001 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,1,1,0,0,0|2,0,0]=4 4002 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,1,1,0,0,0|2,0,0]=4 4003 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,1,1,0,0,0|2,0,0]=4 4004 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,1,1,0,0,0|2,0,0]=4 4005 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,1,1,0,0,0|1,0,0]=3 4006 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,1,1,0,0,0|1,0,0]=3 4007 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,1,1,0,0,0|2,0,0]=4 4008 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,1,1,0,0,0|2,0,0]=4 4009 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,1,1,0,0,0|2,0,0]=4 4010 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,1,1,0,0,0|2,0,0]=4 4011 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,1,1,0,0,0|2,0,0]=4 4012 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,1,1,0,0,0|2,0,0]=4 4013 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,1,1,0,0,0|2,0,0]=4 4014 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,1,1,0,0,0|2,0,0]=4 4015 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,1,1,0,0,0|1,0,0]=3 4016 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,1,1,0,0,0|1,0,0]=3 4017 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,1,1,0,0,0|1,0,0]=3 4018 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,1,1,0,0,0|2,0,0]=4 4019 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,1,1,0,0,0|2,0,0]=4 4020 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,1,1,0,0,0|1,0,0]=3 4021 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,1,1,0,0,0|1,0,0]=3 4022 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,1,1,0,0,0|1,0,0]=3 4023 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,1,1,0,0,0|1,0,0]=3 4024 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,1,1,0,0,0|1,0,0]=3 4025 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,1,1,0,0,0|1,0,0]=3 4026 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,1,1,0,0,0|2,0,0]=4 4027 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,1,1,0,0,0|2,0,0]=4 4028 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,1,1,0,0,0|2,0,0]=4 4029 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,1,1,0,0,0|2,0,0]=4 4030 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,1,1,0,0,0|2,0,0]=4 4031 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,1,1,0,0,0|2,0,0]=4 4032 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,1,1,0,0,0|2,0,0]=4 4033 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,1,1,0,0,0|2,0,0]=4 4034 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,1,1,0,0,0|2,0,0]=4 4035 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,1,1,0,0,0|2,0,0]=4 4036 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,1,1,0,0,0|2,0,0]=4 4037 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,1,1,0,0,0|2,0,0]=4 4038 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,1,1,0,0,0|2,0,0]=4 4039 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,1,1,0,0,0|2,0,0]=4 4040 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,1,1,0,0,0|2,0,0]=4 4041 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,1,1,0,0,0|2,0,0]=4 4042 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,1,1,0,0,0|2,0,0]=4 4043 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,1,1,0,0,0|2,0,0]=4 4044 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,1,1,0,0,0|2,0,0]=4 4045 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,1,1,0,0,0|2,0,0]=4 4046 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,1,1,0,0,0|2,0,0]=4 4047 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,1,1,0,0,0|2,0,0]=4 4048 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,1,1,0,0,0|2,0,0]=4 4049 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,1,1,0,0,0|2,0,0]=4 4050 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,1,1,0,0,0|2,0,0]=4 4051 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,1,1,0,0,0|2,0,0]=4 4052 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,1,1,0,0,0|2,0,0]=4 4053 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,1,1,0,0,0|2,0,0]=4 4054 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,1,1,0,0,0|2,0,0]=4 4055 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,1,1,0,0,0|2,0,0]=4 4056 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,1,1,0,0,0|2,0,0]=4 4057 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,1,1,0,0,0|2,0,0]=4 4058 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,1,1,0,0,0|2,0,0]=4 4059 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,1,1,0,0,0|2,0,0]=4 4060 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,1,1,0,0,0|2,0,0]=4 4061 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,1,1,0,0,0|2,0,0]=4 4062 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,1,1,0,0,0|2,0,0]=4 4063 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,1,1,0,0,0|2,0,0]=4 4064 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,1,1,0,0,0|2,0,0]=4 4065 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,1,1,0,0,0|2,0,0]=4 4066 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,1,1,0,0,0|2,0,0]=4 4067 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,1,1,0,0,0|2,0,0]=4 4068 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,1,1,0,0,0|2,0,0]=4 4069 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,1,1,0,0,0|2,0,0]=4 4070 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,1,1,0,0,0|2,0,0]=4 4071 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,1,1,0,0,0|2,0,0]=4 4072 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,1,1,0,0,0|2,0,0]=4 4073 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,1,1,0,0,0|2,0,0]=4 4074 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,1,1,0,0,0|2,0,0]=4 4075 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,1,1,0,0,0|2,0,0]=4 4076 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,1,1,0,0,0|2,0,0]=4 4077 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,1,1,0,0,0|2,0,0]=4 4078 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,1,1,0,0,0|2,0,0]=4 4079 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,1,1,0,0,0|2,0,0]=4 4080 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,1,1,0,0,0|2,0,0]=4 4081 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,1,1,0,0,0|2,0,0]=4 4082 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,1,1,0,0,0|2,0,0]=4 4083 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,1,1,0,0,0|2,0,0]=4 4084 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,1,1,0,0,0|2,0,0]=4 4085 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,1,1,0,0,0|2,0,0]=4 4086 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,1,1,0,0,0|2,0,0]=4 4087 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,1,1,0,0,0|2,0,0]=4 4088 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,1,1,0,0,0|2,0,0]=4 4089 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,1,1,0,0,0|2,0,0]=4 4090 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,1,1,0,0,0|2,0,0]=4 4091 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,1,1,0,0,0|2,0,0]=4 4092 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,1,1,0,0,0|2,0,0]=4 4093 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,1,1,0,0,0|2,0,0]=4 4094 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,1,1,0,0,0|2,0,0]=4 4095 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,1,1,0,0,0|2,0,0]=4 4096 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,1,1,0,0,0|2,0,0]=4 4097 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,1,1,0,0,0|2,0,0]=4 4098 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,1,1,0,0,0|2,0,0]=4 4099 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,1,1,0,0,0|2,0,0]=4 4100 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,1,1,0,0,0|2,0,0]=4 4101 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,1,1,0,0,0|2,0,0]=4 4102 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,1,1,0,0,0|2,0,0]=4 4103 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,1,1,0,0,0|2,0,0]=4 4104 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,1,1,0,0,0|2,0,0]=4 4105 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,1,1,0,0,0|2,0,0]=4 4106 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,1,1,0,0,0|2,0,0]=4 4107 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,1,1,0,0,0|2,0,0]=4 4108 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,1,1,0,0,0|2,0,0]=4 4109 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,1,1,0,0,0|2,0,0]=4 4110 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,1,1,0,0,0|2,0,0]=4 4111 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,1,1,0,0,0|1,0,0]=3 4112 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,1,1,0,0,0|1,0,0]=3 4113 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,1,1,0,0,0|1,0,0]=3 4114 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,1,1,0,0,0|2,0,0]=4 4115 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,1,1,0,0,0|2,0,0]=4 4116 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,1,1,0,0,0|2,0,0]=4 4117 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,1,1,0,0,0|2,0,0]=4 4118 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,1,1,0,0,0|2,0,0]=4 4119 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,1,1,0,0,0|2,0,0]=4 4120 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,1,1,0,0,0|2,0,0]=4 4121 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,1,1,0,0,0|2,0,0]=4 4122 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,1,1,0,0,0|2,0,0]=4 4123 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,1,1,0,0,0|2,0,0]=4 4124 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,1,1,0,0,0|2,0,0]=4 4125 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,1,1,0,0,0|2,0,0]=4 4126 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,1,1,0,0,0|2,0,0]=4 4127 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,1,1,0,0,0|2,0,0]=4 4128 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,1,1,0,0,0|2,0,0]=4 4129 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,1,1,0,0,0|2,0,0]=4 4130 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,1,1,0,0,0|2,0,0]=4 4131 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,1,1,0,0,0|1,0,0]=3 4132 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,1,1,0,0,0|2,0,0]=4 4133 B12R0.251 CC(CNCCCCCF)C(=O)O 269956a_100000749485_100000729378 [0,1,1,0,0,0|2,0,0]=4 4134 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [0,1,1,0,0,0|2,0,0]=4 4135 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,1,1,0,0,0|1,0,0]=3 4136 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,1,1,0,0,0|1,0,0]=3 4137 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [0,1,1,0,0,0|2,0,0]=4 4138 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [0,1,1,0,0,0|2,0,0]=4 4139 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [0,1,1,0,0,0|2,0,0]=4 4140 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [0,1,1,0,0,0|2,0,0]=4 4141 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,1,1,0,0,0|2,0,0]=4 4142 B12R0.251 CCCCCCCNC(C)C(=O)N 2230a_100000229938_100000702099 [0,1,1,0,0,0|2,0,0]=4 4143 B12R0.251 CCCCCCCNC(F)C(=O)N 2230a_100000229938_100009813875 [0,1,1,0,0,0|2,0,0]=4 4144 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,1,1,0,0,0|1,0,0]=3 4145 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210681 [0,1,1,0,0,0|2,0,0]=4 4146 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210614 [0,1,1,0,0,0|2,0,0]=4 4147 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,1,1,0,0,0|2,0,0]=4 4148 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,1,1,0,0,0|2,0,0]=4 4149 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [0,1,1,0,0,0|2,0,0]=4 4150 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [0,1,1,0,0,0|2,0,0]=4 4151 B12R0.251 CCCCCCCOC(F)C(=O)N 34a_100000210272_100009813875 [0,1,1,0,0,0|2,0,0]=4 4152 B12R0.251 CCCCCCCOC(F)C(=O)N 7a_100000210272_100009813875 [0,1,1,0,0,0|2,0,0]=4 4153 B12R0.251 CCCCCCCOC(F)C(=O)[O-] 34a_100000210272_100020610796 [0,1,1,0,0,0|1,0,1]=4 4154 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [0,1,1,0,0,0|1,0,1]=4 4155 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [0,1,1,0,0,0|2,0,0]=4 4156 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [0,1,1,0,0,0|2,0,0]=4 4157 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,1,1,0,0,0|2,0,0]=4 4158 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,1,1,0,0,0|2,0,0]=4 4159 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000210614_100000702099 [0,1,1,0,0,0|2,0,0]=4 4160 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000702099_100000210316 [0,1,1,0,0,0|2,0,0]=4 4161 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100000210614_100009813875 [0,1,1,0,0,0|2,0,0]=4 4162 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100009813875_100000210316 [0,1,1,0,0,0|2,0,0]=4 4163 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100000210614_100020610796 [0,1,1,0,0,0|1,0,1]=4 4164 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210316 [0,1,1,0,0,0|1,0,1]=4 4165 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,1,1,0,0,0|1,0,0]=3 4166 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,1,1,0,0,0|1,0,0]=3 4167 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,1,1,0,0,0|2,0,0]=4 4168 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,1,1,0,0,0|2,0,0]=4 4169 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [0,1,1,0,0,0|2,0,0]=4 4170 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000743108 [0,1,1,0,0,0|2,0,0]=4 4171 B12R0.251 CCCCOCNCC(C)C(=O)O 269956a_100000749485_100011995733 [0,1,1,0,0,0|2,0,0]=4 4172 B12R0.251 CCCCOCNCC(F)C(=O)O 269956a_100000084737_100011995733 [0,1,1,0,0,0|2,0,0]=4 4173 B12R0.251 CCCOCCNCC(C)C(=O)O 269956a_100000749485_100011215938 [0,1,1,0,0,0|2,0,0]=4 4174 B12R0.251 CCCOCCNCC(F)C(=O)O 269956a_100000084737_100011215938 [0,1,1,0,0,0|2,0,0]=4 4175 B12R0.251 CCOCCCNCC(C)C(=O)O 269956a_100000749485_100012232248 [0,1,1,0,0,0|2,0,0]=4 4176 B12R0.251 CCOCCCNCC(F)C(=O)O 269956a_100000084737_100012232248 [0,1,1,0,0,0|2,0,0]=4 4177 B12R0.251 COCCCCNCC(C)C(=O)O 269956a_100000749485_100000730899 [0,1,1,0,0,0|2,0,0]=4 4178 B12R0.251 COCCCCNCC(F)C(=O)O 269956a_100000084737_100000730899 [0,1,1,0,0,0|2,0,0]=4 4179 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 269956a_100000743915_100015922095 [0,1,1,0,0,0|2,0,0]=4 4180 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [0,1,1,0,0,0|2,0,0]=4 4181 B12R0.251 O=C(O)C(F)CNCCCCCF 269956a_100000084737_100000729378 [0,1,1,0,0,0|2,0,0]=4 4182 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [0,1,1,0,0,0|2,0,0]=4 4183 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,1,1,0,0,0|1,0,1]=4 4184 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000210919_100000747473 [0,1,1,0,0,0|2,0,0]=4 4185 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000711301_100011215978 [0,1,1,0,0,0|2,0,0]=4 4186 B12R0.255 CCCCCCC(C)NCC(=O)N 34a_100000210919_100000187820 [0,1,1,0,0,0|2,0,0]=4 4187 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,1,1,0,0,0|1,0,0]=3 4188 B12R0.255 CCCCCCC(C)NCC(=O)[O-] 34a_100000210919_100020667443 [0,1,1,0,0,0|1,0,1]=4 4189 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [0,1,1,0,0,0|2,0,0]=4 4190 B12R0.255 CCCCCCC(C)OCC(=O)N 34a_100000210265_100000187820 [0,1,1,0,0,0|2,0,0]=4 4191 B12R0.255 CCCCCCC(C)OCC(=O)N 7a_100000210265_100000187820 [0,1,1,0,0,0|2,0,0]=4 4192 B12R0.255 CCCCCCC(C)OCC(=O)[O-] 34a_100000210265_100020667443 [0,1,1,0,0,0|1,0,1]=4 4193 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100000747473_100011215978 [0,1,1,0,0,0|2,0,0]=4 4194 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100011215978_100000747473 [0,1,1,0,0,0|2,0,0]=4 4195 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100011215978_100020667443 [0,1,1,0,0,0|1,0,1]=4 4196 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100020667443_100011215978 [0,1,1,0,0,0|1,0,1]=4 4197 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [0,1,1,0,0,0|2,0,0]=4 4198 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210314 [0,1,1,0,0,0|2,0,0]=4 4199 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_106256046315_100000744528 [0,1,1,0,0,0|2,0,0]=4 4200 B12R0.255 CCCCCCN(C)CCC(=O)N 269982a_106256046315_100000744528 [0,1,1,0,0,0|2,0,0]=4 4201 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [0,1,1,0,0,0|2,0,0]=4 4202 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [0,1,1,0,0,0|2,0,0]=4 4203 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [0,1,1,0,0,0|2,0,0]=4 4204 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [0,1,1,0,0,0|2,0,0]=4 4205 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [0,1,1,0,0,0|2,0,0]=4 4206 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [0,1,1,0,0,0|2,0,0]=4 4207 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [0,1,1,0,0,0|2,0,0]=4 4208 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [0,1,1,0,0,0|2,0,0]=4 4209 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [0,1,1,0,0,0|2,0,0]=4 4210 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [0,1,1,0,0,0|2,0,0]=4 4211 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [0,1,1,0,0,0|2,0,0]=4 4212 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [0,1,1,0,0,0|2,0,0]=4 4213 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [0,1,1,0,0,0|2,0,0]=4 4214 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,1,1,0,0,0|2,0,0]=4 4215 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,1,1,0,0,0|2,0,0]=4 4216 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [0,1,1,0,0,0|2,0,0]=4 4217 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [0,1,1,0,0,0|2,0,0]=4 4218 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,1,1,0,0,0|2,0,0]=4 4219 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,1,1,0,0,0|2,0,0]=4 4220 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [0,1,1,0,0,0|2,0,0]=4 4221 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [0,1,1,0,0,0|2,0,0]=4 4222 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [0,1,1,0,0,0|2,0,0]=4 4223 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [0,1,1,0,0,0|2,0,0]=4 4224 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [0,1,1,0,0,0|2,0,0]=4 4225 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [0,1,1,0,0,0|2,0,0]=4 4226 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [0,1,1,0,0,0|2,0,0]=4 4227 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [0,1,1,0,0,0|2,0,0]=4 4228 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [0,1,1,0,0,0|2,0,0]=4 4229 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [0,1,1,0,0,0|2,0,0]=4 4230 B12R0.268 CC(Br)COCCCCCC(=O)N 34a_100012180447_100009817443 [0,1,1,0,0,0|2,0,0]=4 4231 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100000711301_100000210682 [0,1,1,0,0,0|2,0,0]=4 4232 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100011290863_100000747473 [0,1,1,0,0,0|2,0,0]=4 4233 B12R0.268 CC(C)CCCCCNCC(=O)N 34a_100011290863_100000187820 [0,1,1,0,0,0|2,0,0]=4 4234 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,1,1,0,0,0|1,0,0]=3 4235 B12R0.268 CC(C)CCCCCNCC(=O)[O-] 34a_100011290863_100020667443 [0,1,1,0,0,0|1,0,1]=4 4236 B12R0.268 CC(C)CCCCCOCC(=O)N 34a_100011995859_100000187820 [0,1,1,0,0,0|2,0,0]=4 4237 B12R0.268 CC(C)CCCCCOCC(=O)N 7a_100011995859_100000187820 [0,1,1,0,0,0|2,0,0]=4 4238 B12R0.268 CC(C)CCCCCOCC(=O)[O-] 34a_100011995859_100020667443 [0,1,1,0,0,0|1,0,1]=4 4239 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [0,1,1,0,0,0|2,0,0]=4 4240 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [0,1,1,0,0,0|2,0,0]=4 4241 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100000210682_100020667443 [0,1,1,0,0,0|1,0,1]=4 4242 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100020667443_100000210682 [0,1,1,0,0,0|1,0,1]=4 4243 B12R0.268 CC(C)CCCCNOCC(=O)O 269956a_100000106656_100011216152 [0,1,1,0,0,0|2,0,0]=4 4244 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100000757172_100011216152 [0,1,1,0,0,0|2,0,0]=4 4245 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100011214890_100000731001 [0,1,1,0,0,0|2,0,0]=4 4246 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100000757172_100011216152 [0,1,1,0,0,0|2,0,0]=4 4247 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100011214890_100000744528 [0,1,1,0,0,0|2,0,0]=4 4248 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [0,1,1,0,0,0|2,0,0]=4 4249 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [0,1,1,0,0,0|2,0,0]=4 4250 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [0,1,1,0,0,0|2,0,0]=4 4251 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [0,1,1,0,0,0|2,0,0]=4 4252 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [0,1,1,0,0,0|2,0,0]=4 4253 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [0,1,1,0,0,0|2,0,0]=4 4254 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [0,1,1,0,0,0|2,0,0]=4 4255 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [0,1,1,0,0,0|2,0,0]=4 4256 B12R0.268 CC(C)CCNCCCCC(=O)N 269862a_100000696515_100000185833 [0,1,1,0,0,0|2,0,0]=4 4257 B12R0.268 CC(C)CCNCCCCC(=O)N 34a_100000696515_100000210312 [0,1,1,0,0,0|2,0,0]=4 4258 B12R0.268 CC(C)CCNCCOCC(=O)O 269956a_100000700818_100000210312 [0,1,1,0,0,0|2,0,0]=4 4259 B12R0.268 CC(C)CCOCCCCC(=O)N 34a_100012022536_100000210312 [0,1,1,0,0,0|2,0,0]=4 4260 B12R0.268 CC(C)CCOCCCCC(=O)N 7a_100012022536_100000210626 [0,1,1,0,0,0|2,0,0]=4 4261 B12R0.268 CC(C)CNCCCCCC(=O)N 2230a_100000210953_100009817443 [0,1,1,0,0,0|2,0,0]=4 4262 B12R0.268 CC(C)CNCCCCCC(=O)N 34a_100000210953_100009817443 [0,1,1,0,0,0|2,0,0]=4 4263 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000123541_100000210624 [0,1,1,0,0,0|2,0,0]=4 4264 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000210257_100009817443 [0,1,1,0,0,0|2,0,0]=4 4265 B12R0.268 CC(C)COCCCCCC(=O)N 7a_100000123541_100000210760 [0,1,1,0,0,0|2,0,0]=4 4266 B12R0.268 CC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000210760 [0,1,1,0,0,0|1,0,1]=4 4267 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100000210624_100009817443 [0,1,1,0,0,0|2,0,0]=4 4268 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100009817443_100000210760 [0,1,1,0,0,0|2,0,0]=4 4269 B12R0.268 CC(F)COCCCCCC(=O)N 34a_100015925927_100009817443 [0,1,1,0,0,0|2,0,0]=4 4270 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [0,1,1,0,0,0|2,0,0]=4 4271 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [0,1,1,0,0,0|2,0,0]=4 4272 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [0,1,1,0,0,0|2,0,0]=4 4273 B12R0.268 CC(O)CCNCCCCC(=O)N 34a_100000696515_100012276601 [0,1,1,0,0,0|2,0,0]=4 4274 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [0,1,1,0,0,0|2,0,0]=4 4275 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [0,1,1,0,0,0|2,0,0]=4 4276 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [0,1,1,0,0,0|2,0,0]=4 4277 B12R0.268 CC(O)CNCCCCCC(=O)N 2230a_100000210904_100009817443 [0,1,1,0,0,0|2,0,0]=4 4278 B12R0.268 CC(O)CNCCCCCC(=O)N 34a_100000210904_100009817443 [0,1,1,0,0,0|2,0,0]=4 4279 B12R0.268 CC(O)COCCCCCC(=O)N 34a_100000123541_100011218427 [0,1,1,0,0,0|2,0,0]=4 4280 B12R0.268 CC(O)COCCCCCC(=O)N 7a_100000123541_100011218427 [0,1,1,0,0,0|2,0,0]=4 4281 B12R0.268 CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218427 [0,1,1,0,0,0|1,0,1]=4 4282 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100009817443_100011218427 [0,1,1,0,0,0|2,0,0]=4 4283 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100011218427_100009817443 [0,1,1,0,0,0|2,0,0]=4 4284 B12R0.268 C[C@@H](Cl)COCCCCCC(=O)N 34a_100016084084_100009817443 [0,1,1,0,0,0|2,0,0]=4 4285 B12R0.268 C[C@@H](N)COCCCCCC(=O)N 34a_100000737577_100009817443 [0,1,1,0,0,0|2,0,0]=4 4286 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 34a_100000123541_100009817552 [0,1,1,0,0,0|2,0,0]=4 4287 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 7a_100000123541_100009817552 [0,1,1,0,0,0|2,0,0]=4 4288 B12R0.268 C[C@@H](O)COCCCCCC(=O)[O-] 7a_100102619762_100009817552 [0,1,1,0,0,0|1,0,1]=4 4289 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817443_100009817552 [0,1,1,0,0,0|2,0,0]=4 4290 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817552_100009817443 [0,1,1,0,0,0|2,0,0]=4 4291 B12R0.110 CCCCCC(C)C(=O)C(=O)NC 1458a_100011218921_200011218191 [0,1,1,0,0,0|2,0,0]=4 4292 B12R0.110 CCCCCN(C)C(C)C(=O)CC 2230a_100000223495_100000742827 [0,1,1,0,0,0|2,0,0]=4 4293 B12R0.110 CCCCCN(C)C(C)C(=O)CC 269982a_100000223495_100000742827 [0,1,1,0,0,0|2,0,0]=4 4294 B12R0.113 CCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747405 [0,1,1,0,0,0|2,0,0]=4 4295 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [0,1,1,0,0,0|1,0,0]=3 4296 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [0,1,1,0,0,0|1,0,0]=3 4297 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [0,1,1,0,0,0|1,0,0]=3 4298 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [0,1,1,0,0,0|1,0,0]=3 4299 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [0,1,1,0,0,0|2,0,0]=4 4300 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [0,1,1,0,0,0|2,0,0]=4 4301 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100000210919_106832991635 [0,1,1,0,0,0|2,0,0]=4 4302 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100102657272_100000210919 [0,1,1,0,0,0|2,0,0]=4 4303 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100000210919_100102657272 [0,1,1,0,0,0|2,0,0]=4 4304 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100102657272_100000210919 [0,1,1,0,0,0|2,0,0]=4 4305 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_100000210919_100102657272 [0,1,1,0,0,0|2,0,0]=4 4306 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_106832991638_100000210919 [0,1,1,0,0,0|2,0,0]=4 4307 B12R0.113 CCCCCCC(C)OC(C)CC 34a_100000210265_100011215416 [0,1,1,0,0,0|1,0,1]=4 4308 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210228_100011215978 [0,1,1,0,0,0|1,0,1]=4 4309 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210265_100000758301 [0,1,1,0,0,0|1,0,1]=4 4310 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [0,1,1,0,0,0|2,0,0]=4 4311 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [0,1,1,0,0,0|2,0,0]=4 4312 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [0,1,1,0,0,0|2,0,0]=4 4313 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [0,1,1,0,0,0|2,0,0]=4 4314 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [0,1,1,0,0,0|2,0,0]=4 4315 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [0,1,1,0,0,0|2,0,0]=4 4316 B12R0.113 CCCCOCC(C)OC(C)CC 34a_100011217071_100011215416 [0,1,1,0,0,0|1,0,1]=4 4317 B12R0.113 CCCCOCC(C)OC(C)CC 7a_100011217071_100000758301 [0,1,1,0,0,0|1,0,1]=4 4318 B12R0.123 C=C(C)C(=O)NC(C)CCCCC 11a_100000211957_100000185857 [0,1,1,0,0,0|1,0,1]=4 4319 B12R0.123 C=C(C)C(=O)NC(C)CCCCC 1626a_100000211957_100000185857 [0,1,1,0,0,0|1,0,1]=4 4320 B12R0.123 CCCCCC(C)NC(=O)C(C)C 11a_100000211957_100000210198 [0,1,1,0,0,0|1,0,0]=3 4321 B12R0.123 CCCCCC(C)NC(=O)C(C)C 1626a_100000211957_100000210198 [0,1,1,0,0,0|1,0,0]=3 4322 B12R0.123 CCCCCC(C)NC(=O)C(C)C 240690a_100000211957_100000210198 [0,1,1,0,0,0|1,0,0]=3 4323 B12R0.123 CCCCCC(C)NC(=O)C(C)C 527a_100000211957_100000210198 [0,1,1,0,0,0|1,0,0]=3 4324 B12R0.123 CCCCCC(C)NC(=O)C(C)F 11a_100000211957_100000062450 [0,1,1,0,0,0|1,0,0]=3 4325 B12R0.123 CCCCCC(C)NC(=O)C(C)F 1626a_100000211957_100000062450 [0,1,1,0,0,0|1,0,0]=3 4326 B12R0.123 CCCCCC(C)NC(=O)C(C)F 240690a_100000211957_100000062450 [0,1,1,0,0,0|1,0,0]=3 4327 B12R0.123 CCCCCC(C)NC(=O)C(C)F 527a_100000211957_100000062450 [0,1,1,0,0,0|1,0,0]=3 4328 B12R0.123 CCCCCC(C)NC(=O)C(F)F 11a_100000211957_100000210393 [0,1,1,0,0,0|2,0,0]=4 4329 B12R0.123 CCCCCC(C)NC(=O)C(F)F 1626a_100000211957_100000210393 [0,1,1,0,0,0|2,0,0]=4 4330 B12R0.123 CCCCCC(C)NC(=O)C(F)F 240690a_100000211957_100000210393 [0,1,1,0,0,0|2,0,0]=4 4331 B12R0.123 CCCCCC(C)NC(=O)C(F)F 527a_100000211957_100000210393 [0,1,1,0,0,0|2,0,0]=4 4332 B12R0.123 CCCCCC(C)NC(=O)C(O)O 240690a_100000211957_100000233687 [0,1,1,0,0,0|2,0,0]=4 4333 B12R0.123 CCCCCC(C)NC(=O)N(C)C 2708a_100000211957_100102631434 [0,1,1,0,0,0|2,0,0]=4 4334 B12R0.123 CCCCCC(C)NC(=O)[C@@H](C)O 240690a_100000211957_100000717761 [0,1,1,0,0,0|1,0,0]=3 4335 B12R0.123 CCCCCC(C)NC(=O)[C@H](C)O 1626a_100000211957_217856618621 [0,1,1,0,0,0|1,0,0]=3 4336 B12R0.123 CCCCCC(C)NC(=O)[C@H](C)O 240690a_100000211957_217856618621 [0,1,1,0,0,0|1,0,0]=3 4337 B12R0.123 CCCCCC(C)OC(C)C(C)C 7a_100000748068_200011218191 [0,1,1,0,0,0|1,0,1]=4 4338 B12R0.123 CCCCCN(C)CC(=O)C(C)C 2230a_100000223495_100000753385 [0,1,1,0,0,0|2,0,0]=4 4339 B12R0.123 CCCCCN(C)CC(=O)C(C)C 269982a_100000223495_100000753385 [0,1,1,0,0,0|2,0,0]=4 4340 B12R0.144 C#CC(CC)OC(C)CCCCC 34a_100000758843_200011218191 [0,1,1,0,0,0|1,0,1]=4 4341 B12R0.144 C#CC(CC)OC(C)CCCCC 7a_100000758843_200011218191 [0,1,1,0,0,0|1,0,1]=4 4342 B12R0.144 C=CC(CC)OC(C)CCCCC 34a_100000766422_200011218191 [0,1,1,0,0,0|1,0,1]=4 4343 B12R0.144 C=CC(CC)OC(C)CCCCC 7a_100000766422_200011218191 [0,1,1,0,0,0|1,0,1]=4 4344 B12R0.144 CCCCCC(C)OC(CC)CC 7a_100000688536_200011218191 [0,1,1,0,0,0|1,0,1]=4 4345 B12R0.144 CCCCCC(C)OC(CC)CC 7a_100011215632_100000210505 [0,1,1,0,0,0|1,0,1]=4 4346 B12R0.147 CCC(C)CCC(C)OC(C)CC 7a_200011216552_100000758301 [0,1,1,0,0,0|1,0,1]=4 4347 B12R0.240 CC(C)CCCC(C)NC(=O)CO 240690a_100000210607_100000210174 [0,1,1,0,0,0|2,0,0]=4 4348 B12R0.240 CC(C)CCCC(C)NC(=O)CO 527a_100000210607_100000210174 [0,1,1,0,0,0|2,0,0]=4 4349 B12R0.240 CCC(=O)NC(C)CCCC(C)C 11a_100000210607_100000210414 [0,1,1,0,0,0|1,0,0]=3 4350 B12R0.240 CCC(=O)NC(C)CCCC(C)C 1626a_100000210607_100000210414 [0,1,1,0,0,0|1,0,0]=3 4351 B12R0.240 CCC(=O)NC(C)CCCC(C)C 240690a_100000210607_100000210414 [0,1,1,0,0,0|1,0,0]=3 4352 B12R0.240 CCC(=O)NC(C)CCCC(C)C 527a_100000210607_100000210414 [0,1,1,0,0,0|1,0,0]=3 4353 B12R0.240 CCC(C)OC(C)CCCC(C)C 34a_200011218570_100011215416 [0,1,1,0,0,0|1,0,1]=4 4354 B12R0.240 CCC(C)OC(C)CCCC(C)C 7a_200011218570_100000758301 [0,1,1,0,0,0|1,0,1]=4 4355 B12R0.240 CNC(=O)NC(C)CCCC(C)C 2708a_100000210607_106832991635 [0,1,1,0,0,0|2,0,0]=4 4356 B12R0.240 CNC(=O)NC(C)CCCC(C)C 2708a_100102657272_100000210607 [0,1,1,0,0,0|2,0,0]=4 4357 B12R0.240 CNC(=O)NC(C)CCCC(C)C 273464a_100000210607_100102657272 [0,1,1,0,0,0|2,0,0]=4 4358 B12R0.240 CNC(=O)NC(C)CCCC(C)C 512a_100000210607_100102657272 [0,1,1,0,0,0|2,0,0]=4 4359 B12R0.240 CNC(=O)NC(C)CCCC(C)C 512a_106832991638_100000210607 [0,1,1,0,0,0|2,0,0]=4 4360 B12R0.252 CCCCC(=O)C(C)NC(=O)CC 1458a_100000194823_100000210211 [0,1,1,0,0,0|1,0,1]=4 4361 B12R0.318 CCCCCC(C)NS(=O)(=O)CC 270084a_100000211957_100000211323 [0,1,1,0,0,0|2,0,0]=4 4362 B12R0.318 CCCCCC(C)NS(=O)(=O)CC 274078a_100000211957_100000211323 [0,1,1,0,0,0|2,0,0]=4 4363 B12R0.318 CCCCCC(C)NS(=O)(=O)CC 40a_100000211957_100000053943 [0,1,1,0,0,0|2,0,0]=4 4364 B12R0.318 CCCCCC(C)OC(C)(C)CC 7a_100000210230_200011218191 [0,1,1,0,0,0|1,0,1]=4 4365 B12R0.318 CCCCCC(C)OC(C)(C)CC 7a_100011215632_100000210677 [0,1,1,0,0,0|1,0,1]=4 4366 B12R1.17 CCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210303 [1,1,0,0,0,0|1,0,1]=4 4367 B12R1.25 CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210202 [1,1,0,0,0,0|2,0,0]=4 4368 B12R1.25 CCNCC1CCCC(=O)N1C 34a_200010383782_100000210202 [1,1,0,0,0,0|2,0,0]=4 4369 B12R1.50 CCC(C)OC1CCCC(=O)C1 34a_100012613340_100011215416 [1,1,0,0,0,0|2,0,0]=4 4370 B12R1.226 CC(C)COC1CCCC(=O)C1 34a_100012613340_100000210624 [1,1,0,0,0,0|2,0,0]=4 4371 B12R1.226 CC(C)OCC1CCCC(=O)N1 34a_200000102386_100000210206 [1,1,0,0,0,0|2,0,0]=4 4372 B12R1.226 CC(O)COC1CCCC(=O)C1 34a_100012613340_100011218427 [1,1,0,0,0,0|2,0,0]=4 4373 B12R1.226 C[C@@H](O)COC1CCCC(=O)C1 34a_100012613340_100009817552 [1,1,0,0,0,0|2,0,0]=4 4374 B12R1.8 BrCCCOCC1CCCCO1 34a_100011217188_100000211543 [1,1,0,0,0,0|1,0,1]=4 4375 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [1,1,0,0,0,0|1,0,0]=3 4376 B12R1.8 CCCCCNC1CCCCC1 2230a_100000182618_100000210326 [1,1,0,0,0,0|1,0,1]=4 4377 B12R1.8 CCCCCNC1CCCCC1 270004a_100000209983_100000210434 [1,1,0,0,0,0|1,0,1]=4 4378 B12R1.8 CCCCCNC1CCCCC1 34a_100000182618_100000718602 [1,1,0,0,0,0|1,0,1]=4 4379 B12R1.8 CCCCCNC1CCCOC1 2230a_100000719290_100000210326 [1,1,0,0,0,0|2,0,0]=4 4380 B12R1.8 CCCCCNC1CCCOC1 270004a_100000209983_100000753404 [1,1,0,0,0,0|2,0,0]=4 4381 B12R1.8 CCCCCNC1CCCOC1 34a_100000719290_100000718602 [1,1,0,0,0,0|2,0,0]=4 4382 B12R1.8 CCCCCNC1CCCSC1 270004a_100000209983_100000057913 [1,1,0,0,0,0|2,0,0]=4 4383 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [1,1,0,0,0,0|1,0,0]=3 4384 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [1,1,0,0,0,0|1,0,0]=3 4385 B12R1.8 CCCCCOC1CC=CCC1 34a_100000073881_100000718602 [1,1,0,0,0,0|1,0,1]=4 4386 B12R1.8 CCCCCOC1CCCCC1 34a_100000210231_100000718602 [1,1,0,0,0,0|1,0,1]=4 4387 B12R1.8 CCCCCOC1CCCCC1 34a_100000210253_100000210327 [1,1,0,0,0,0|1,0,1]=4 4388 B12R1.8 CCCCCOC1CCCCC1 7a_100000210231_100000210326 [1,1,0,0,0,0|1,0,1]=4 4389 B12R1.8 CCCCCOC1CCCCC1 7a_100000210253_100000210327 [1,1,0,0,0,0|1,0,1]=4 4390 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [1,1,0,0,0,0|0,0,1]=3 4391 B12R1.8 CCCCCOC1CCCOC1 34a_100000210253_100000693364 [1,1,0,0,0,0|2,0,0]=4 4392 B12R1.8 CCCCCOC1CCCOC1 34a_100000754041_100000718602 [1,1,0,0,0,0|2,0,0]=4 4393 B12R1.8 CCCCCOC1CCCOC1 7a_100000210253_100000693364 [1,1,0,0,0,0|2,0,0]=4 4394 B12R1.8 CCCCCOC1CCCSC1 7a_100015962668_100000210326 [1,1,0,0,0,0|2,0,0]=4 4395 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [1,1,0,0,0,0|1,0,0]=3 4396 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [1,1,0,0,0,0|1,0,0]=3 4397 B12R1.8 CCCCCSC1CCCCC1 62a_100000210326_100000210327 [1,1,0,0,0,0|1,0,1]=4 4398 B12R1.8 CCCCCSC1CCCCC1 62a_100000210327_100000210326 [1,1,0,0,0,0|1,0,1]=4 4399 B12R1.8 CCCCCSC1CCCOC1 62a_100000210326_100000693364 [1,1,0,0,0,0|2,0,0]=4 4400 B12R1.8 CCCCNCC1CC=CCC1 270004a_100000102301_100000189434 [1,1,0,0,0,0|1,0,1]=4 4401 B12R1.8 CCCCNCC1CCCCC1 2230a_100000102301_100000211423 [1,1,0,0,0,0|1,0,1]=4 4402 B12R1.8 CCCCNCC1CCCCC1 2230a_100000210473_100000210211 [1,1,0,0,0,0|1,0,1]=4 4403 B12R1.8 CCCCNCC1CCCCC1 269862a_100000102301_100000211278 [1,1,0,0,0,0|1,0,1]=4 4404 B12R1.8 CCCCNCC1CCCCC1 34a_100000210473_100000210210 [1,1,0,0,0,0|1,0,1]=4 4405 B12R1.8 CCCCNCC1CCCCC1 7a_106832991798_100000211423 [1,1,0,0,0,0|1,0,1]=4 4406 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [1,1,0,0,0,0|0,0,1]=3 4407 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [1,1,0,0,0,0|0,0,1]=3 4408 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [1,1,0,0,0,0|0,0,1]=3 4409 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [1,1,0,0,0,0|0,0,1]=3 4410 B12R1.8 CCCCNCC1CCCOC1 2230a_100000102301_100000741521 [1,1,0,0,0,0|2,0,0]=4 4411 B12R1.8 CCCCNCC1CCCOC1 2230a_100000720124_100000210211 [1,1,0,0,0,0|2,0,0]=4 4412 B12R1.8 CCCCNCC1CCCOC1 34a_100000720124_100000210210 [1,1,0,0,0,0|2,0,0]=4 4413 B12R1.8 CCCCNCC1CCCOC1 7a_106832991798_100000741521 [1,1,0,0,0,0|2,0,0]=4 4414 B12R1.8 CCCCNC[C@H]1COCCO1 2230a_100010981119_100000210211 [1,1,0,0,0,0|1,0,1]=4 4415 B12R1.8 CCCCNC[C@H]1COCCO1 34a_100010981119_100000210210 [1,1,0,0,0,0|1,0,1]=4 4416 B12R1.8 CCCCOCC1CC=CCC1 34a_100000210713_100000210210 [1,1,0,0,0,0|1,0,1]=4 4417 B12R1.8 CCCCOCC1CCC=CO1 34a_100011217868_100000210210 [1,1,0,0,0,0|0,0,1]=3 4418 B12R1.8 CCCCOCC1CCCCC1 34a_100000210227_100000211423 [1,1,0,0,0,0|1,0,1]=4 4419 B12R1.8 CCCCOCC1CCCCC1 34a_100000212181_100000210210 [1,1,0,0,0,0|1,0,1]=4 4420 B12R1.8 CCCCOCC1CCCCC1 7a_100000210227_100000211423 [1,1,0,0,0,0|1,0,1]=4 4421 B12R1.8 CCCCOCC1CCCCC1 7a_100000212181_100000210211 [1,1,0,0,0,0|1,0,1]=4 4422 B12R1.8 CCCCOCC1CCCCN1 34a_100000210821_100000210210 [1,1,0,0,0,0|1,0,1]=4 4423 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [1,1,0,0,0,0|0,0,1]=3 4424 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [1,1,0,0,0,0|0,0,1]=3 4425 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [1,1,0,0,0,0|0,0,1]=3 4426 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [1,1,0,0,0,0|0,0,1]=3 4427 B12R1.8 CCCCOCC1CCCNC1 34a_100000211344_100000210210 [1,1,0,0,0,0|2,0,0]=4 4428 B12R1.8 CCCCOCC1CCCOC1 34a_100000210227_100000741521 [1,1,0,0,0,0|2,0,0]=4 4429 B12R1.8 CCCCOCC1CCCOC1 34a_100000741520_100000210210 [1,1,0,0,0,0|2,0,0]=4 4430 B12R1.8 CCCCOCC1CCCOC1 7a_100000210227_100000741521 [1,1,0,0,0,0|2,0,0]=4 4431 B12R1.8 CCCCOC[C@@H]1CNCCO1 34a_100015189573_100000210210 [1,1,0,0,0,0|1,0,1]=4 4432 B12R1.8 CCCCOC[C@H]1COCCO1 34a_100009875890_100000210210 [1,1,0,0,0,0|1,0,1]=4 4433 B12R1.8 CCCCSCC1CCCCC1 62a_100000210211_100000211423 [1,1,0,0,0,0|1,0,1]=4 4434 B12R1.8 CCCCSCC1CCCCC1 62a_100000211423_100000210210 [1,1,0,0,0,0|1,0,1]=4 4435 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [1,1,0,0,0,0|0,0,1]=3 4436 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [1,1,0,0,0,0|0,0,1]=3 4437 B12R1.8 CCCCSCC1CCCOC1 62a_100000210211_100000741521 [1,1,0,0,0,0|2,0,0]=4 4438 B12R1.8 CCCCSCC1CCCOC1 62a_100000741521_100000210210 [1,1,0,0,0,0|2,0,0]=4 4439 B12R1.8 CCCNCCC1CCCCC1 2230a_100000738074_100000210303 [1,1,0,0,0,0|1,0,1]=4 4440 B12R1.8 CCCNCCC1CCCCC1 270004a_100020643023_100011713444 [1,1,0,0,0,0|1,0,1]=4 4441 B12R1.8 CCCNCCC1CCCCC1 34a_100000738074_100000210303 [1,1,0,0,0,0|1,0,1]=4 4442 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [1,1,0,0,0,0|0,0,1]=3 4443 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [1,1,0,0,0,0|0,0,1]=3 4444 B12R1.8 CCCOCCC1CCCCC1 34a_100000210258_100011209188 [1,1,0,0,0,0|1,0,1]=4 4445 B12R1.8 CCCOCCC1CCCCC1 34a_100011217863_100000210303 [1,1,0,0,0,0|1,0,1]=4 4446 B12R1.8 CCCOCCC1CCCCC1 7a_100011217863_100000210303 [1,1,0,0,0,0|1,0,1]=4 4447 B12R1.8 CCCOCCC1CCCCN1 34a_100000211664_100000210303 [1,1,0,0,0,0|1,0,1]=4 4448 B12R1.8 CCCOCCC1CCCNC1 34a_100000752241_100000210303 [1,1,0,0,0,0|2,0,0]=4 4449 B12R1.8 CCCOCCC1OCCCO1 34a_100000210258_100000764188 [1,1,0,0,0,0|1,0,1]=4 4450 B12R1.8 CCCSCCC1CCCCC1 62a_100000210303_100012355289 [1,1,0,0,0,0|1,0,1]=4 4451 B12R1.8 CCCSCCC1CCCCC1 62a_100012355289_100000210303 [1,1,0,0,0,0|1,0,1]=4 4452 B12R1.8 CCCSCCC1OCCCO1 62a_100000210303_100000764188 [1,1,0,0,0,0|1,0,1]=4 4453 B12R1.8 CCCSCCC1OCCCO1 62a_100000764188_100000210303 [1,1,0,0,0,0|1,0,1]=4 4454 B12R1.8 CCNCCCC1CCCCC1 2230a_100011211642_100000210202 [1,1,0,0,0,0|1,0,1]=4 4455 B12R1.8 CCNCCCC1CCCCC1 2230a_100015525214_100011713725 [1,1,0,0,0,0|1,0,1]=4 4456 B12R1.8 CCNCCCC1CCCCC1 34a_100011211642_100000210202 [1,1,0,0,0,0|1,0,1]=4 4457 B12R1.8 CCNCCOC1CCCCO1 2230a_100015525214_100000744793 [1,1,0,0,0,0|1,0,1]=4 4458 B12R1.8 CCOCCCC1CCCCC1 34a_100000198086_100000210202 [1,1,0,0,0,0|1,0,1]=4 4459 B12R1.8 CCOCCCC1CCCCC1 34a_100121572206_100011713725 [1,1,0,0,0,0|1,0,1]=4 4460 B12R1.8 CCOCCCC1CCCCC1 7a_100000198086_100000210202 [1,1,0,0,0,0|1,0,1]=4 4461 B12R1.8 CCOCCCC1CCCCN1 34a_100011934581_100000210202 [1,1,0,0,0,0|1,0,1]=4 4462 B12R1.8 CCOCCCC1CCCNC1 34a_100150707839_100000210202 [1,1,0,0,0,0|2,0,0]=4 4463 B12R1.8 CCOCCNC1C=CCCC1 2230a_102516460346_100000751183 [1,1,0,0,0,0|2,0,0]=4 4464 B12R1.8 CCOCCOC1C=CCCC1 34a_100011215024_100000210147 [1,1,0,0,0,0|2,0,0]=4 4465 B12R1.8 CCOCCOC1C=CCCC1 7a_100000210136_100000751183 [1,1,0,0,0,0|2,0,0]=4 4466 B12R1.8 CCOCCOC1CCCCO1 34a_100000033831_100000210147 [1,1,0,0,0,0|1,0,1]=4 4467 B12R1.8 CCOCCOC1CCCCO1 34a_100000034223_100000210202 [1,1,0,0,0,0|1,0,1]=4 4468 B12R1.8 CCOCCOC1CCCCO1 34a_100121572206_100000744793 [1,1,0,0,0,0|1,0,1]=4 4469 B12R1.8 CCOCCOC1CCCCO1 7a_100000034223_100000210202 [1,1,0,0,0,0|1,0,1]=4 4470 B12R1.8 CCOCCSC1C=CCCC1 62a_100000210147_100000751183 [1,1,0,0,0,0|2,0,0]=4 4471 B12R1.8 CCOCCSC1C=CCCC1 62a_100000751183_100011215890 [1,1,0,0,0,0|2,0,0]=4 4472 B12R1.8 CCOCSCC1CCCCO1 62a_100000211543_100000739092 [1,1,0,0,0,0|1,0,1]=4 4473 B12R1.8 CCOCSCC1CCCCO1 62a_100000739092_100000211543 [1,1,0,0,0,0|1,0,1]=4 4474 B12R1.8 CCSCCCC1CCCCC1 62a_100000210202_100011713725 [1,1,0,0,0,0|1,0,1]=4 4475 B12R1.8 CCSCCCC1CCCCC1 62a_100011713725_100000210202 [1,1,0,0,0,0|1,0,1]=4 4476 B12R1.8 CCSCCNC1C=CCCC1 2230a_100000106463_100000751183 [1,1,0,0,0,0|2,0,0]=4 4477 B12R1.8 CCSCCOC1C=CCCC1 34a_100011215024_100000757381 [1,1,0,0,0,0|2,0,0]=4 4478 B12R1.8 CCSCCOC1C=CCCC1 7a_100000212035_100000751183 [1,1,0,0,0,0|2,0,0]=4 4479 B12R1.8 CCSCCOC1CCCCO1 34a_100000033831_100000757381 [1,1,0,0,0,0|1,0,1]=4 4480 B12R1.8 CCSCCOC1CCCCO1 62a_100000210202_100000744793 [1,1,0,0,0,0|1,0,1]=4 4481 B12R1.8 CCSCCOC1CCCCO1 62a_100000744793_100000210202 [1,1,0,0,0,0|1,0,1]=4 4482 B12R1.8 CCSCCSC1C=CCCC1 62a_100000751183_100000757381 [1,1,0,0,0,0|2,0,0]=4 4483 B12R1.8 CCSCCSC1C=CCCC1 62a_100000757381_100000751183 [1,1,0,0,0,0|2,0,0]=4 4484 B12R1.8 CNCCCOC1CCCCO1 2230a_106832991635_100000700653 [1,1,0,0,0,0|1,0,1]=4 4485 B12R1.8 CNCCCOC1CCCCO1 34a_100102657272_100000700653 [1,1,0,0,0,0|1,0,1]=4 4486 B12R1.8 CNCCCOC1CCCCO1 7a_106832991635_100000700653 [1,1,0,0,0,0|1,0,1]=4 4487 B12R1.8 COCCCCC1CCCCC1 34a_100011215267_200000210301 [1,1,0,0,0,0|1,0,1]=4 4488 B12R1.8 COCCCCC1CCCCC1 7a_100011215267_200000210301 [1,1,0,0,0,0|1,0,1]=4 4489 B12R1.8 COCCCOC1C=CCCC1 34a_100011215024_100000740836 [1,1,0,0,0,0|2,0,0]=4 4490 B12R1.8 COCCCOC1CCCCO1 34a_100000033831_100000740836 [1,1,0,0,0,0|1,0,1]=4 4491 B12R1.8 COCCCOC1CCCCO1 34a_100138415774_100000700653 [1,1,0,0,0,0|1,0,1]=4 4492 B12R1.8 COCCCSC1C=CCCC1 62a_100000709357_100000751183 [1,1,0,0,0,0|2,0,0]=4 4493 B12R1.8 COCCCSC1C=CCCC1 62a_100000751183_100000709357 [1,1,0,0,0,0|2,0,0]=4 4494 B12R1.8 COCCNCC1CCCCO1 2230a_100000174945_100011201679 [1,1,0,0,0,0|1,0,1]=4 4495 B12R1.8 COCCNCC1CCCCO1 2230a_100000209980_100000211543 [1,1,0,0,0,0|1,0,1]=4 4496 B12R1.8 COCCNCC1CCCCO1 34a_100000174945_100011201679 [1,1,0,0,0,0|1,0,1]=4 4497 B12R1.8 COCCOCC1CCC=CO1 34a_100011217868_100011201679 [1,1,0,0,0,0|1,0,1]=4 4498 B12R1.8 COCCOCC1CCCCO1 34a_100000210237_100000211543 [1,1,0,0,0,0|1,0,1]=4 4499 B12R1.8 COCCOCC1CCCCO1 34a_100000211370_100011201679 [1,1,0,0,0,0|1,0,1]=4 4500 B12R1.8 COCCOCC1CCCCO1 7a_100000211370_100000233755 [1,1,0,0,0,0|1,0,1]=4 4501 B12R1.8 COCCSCC1CCCCO1 62a_100000211543_100000233755 [1,1,0,0,0,0|1,0,1]=4 4502 B12R1.8 COCCSCC1CCCCO1 62a_100000233755_100000211543 [1,1,0,0,0,0|1,0,1]=4 4503 B12R1.8 COCNCCC1CCCCO1 2230a_100015183643_100000766300 [1,1,0,0,0,0|1,0,1]=4 4504 B12R1.8 CSCCCNC1C=CCCC1 2230a_100000749238_100000751183 [1,1,0,0,0,0|2,0,0]=4 4505 B12R1.8 CSCCCOC1C=CCCC1 7a_100000690336_100000751183 [1,1,0,0,0,0|2,0,0]=4 4506 B12R1.8 CSCCCOC1CCCCO1 62a_100000700653_200000210301 [1,1,0,0,0,0|1,0,1]=4 4507 B12R1.8 CSCCCOC1CCCCO1 62a_200000210301_100000700653 [1,1,0,0,0,0|1,0,1]=4 4508 B12R1.8 CSCCNCC1CCCCO1 2230a_100000174945_100000751147 [1,1,0,0,0,0|1,0,1]=4 4509 B12R1.8 CSCCNCC1CCCCO1 2230a_100020590264_100000211543 [1,1,0,0,0,0|1,0,1]=4 4510 B12R1.8 CSCCNCC1CCCCO1 34a_100000174945_100000212216 [1,1,0,0,0,0|1,0,1]=4 4511 B12R1.8 CSCCOCC1CCC=CO1 34a_100011217868_100000212216 [1,1,0,0,0,0|1,0,1]=4 4512 B12R1.8 CSCCOCC1CCCCO1 34a_100000211370_100000212216 [1,1,0,0,0,0|1,0,1]=4 4513 B12R1.8 CSCCOCC1CCCCO1 34a_100000230434_100000211543 [1,1,0,0,0,0|1,0,1]=4 4514 B12R1.8 CSCCOCC1CCCCO1 7a_100000211370_100000212216 [1,1,0,0,0,0|1,0,1]=4 4515 B12R1.8 CSCCOCC1CCCCO1 7a_100000230434_100000211543 [1,1,0,0,0,0|1,0,1]=4 4516 B12R1.8 CSCCSCC1CCCCO1 62a_100000211543_100000751147 [1,1,0,0,0,0|1,0,1]=4 4517 B12R1.8 CSCCSCC1CCCCO1 62a_100000212216_100000211543 [1,1,0,0,0,0|1,0,1]=4 4518 B12R1.8 CSCNCCC1CCCCO1 2230a_100015183643_100011218213 [1,1,0,0,0,0|1,0,1]=4 4519 B12R1.8 CSCNCCC1CCCCO1 34a_100015183643_100011218213 [1,1,0,0,0,0|1,0,1]=4 4520 B12R1.8 ClCCCCOC1C=CCCC1 7a_100000210776_100000751183 [1,1,0,0,0,0|2,0,0]=4 4521 B12R1.8 ClCCCOCC1CCCCO1 34a_100000230001_100000211543 [1,1,0,0,0,0|1,0,1]=4 4522 B12R1.8 FCCCCOC1C=CCCC1 34a_100011215024_100000729493 [1,1,0,0,0,0|2,0,0]=4 4523 B12R1.8 FCCCCOC1C=CCCC1 7a_100011995726_100000751183 [1,1,0,0,0,0|2,0,0]=4 4524 B12R1.8 FCCCCOC1CCCCO1 34a_100000033831_100000729493 [1,1,0,0,0,0|1,0,1]=4 4525 B12R1.8 FCCCCSC1C=CCCC1 62a_100000729493_100000751183 [1,1,0,0,0,0|2,0,0]=4 4526 B12R1.8 FCCCCSC1C=CCCC1 62a_100000751183_100000729493 [1,1,0,0,0,0|2,0,0]=4 4527 B12R1.8 FCCCNCC1CCCCO1 2230a_100000174945_100011934791 [1,1,0,0,0,0|1,0,1]=4 4528 B12R1.8 FCCCNCC1CCCCO1 2230a_100015189416_100000211543 [1,1,0,0,0,0|1,0,1]=4 4529 B12R1.8 FCCCNCC1CCCCO1 34a_100000174945_100011934791 [1,1,0,0,0,0|1,0,1]=4 4530 B12R1.8 FCCCNCC1CCCCO1 34a_100015189416_100000211543 [1,1,0,0,0,0|1,0,1]=4 4531 B12R1.8 FCCCOCC1CCC=CO1 34a_100011217868_100011934791 [1,1,0,0,0,0|1,0,1]=4 4532 B12R1.8 FCCCOCC1CCCCO1 34a_100000211370_100011934791 [1,1,0,0,0,0|1,0,1]=4 4533 B12R1.8 FCCCOCC1CCCCO1 34a_100000759539_100000211543 [1,1,0,0,0,0|1,0,1]=4 4534 B12R1.8 FCCCOCC1CCCCO1 7a_100000211370_100011934791 [1,1,0,0,0,0|1,0,1]=4 4535 B12R1.8 FCCCSCC1CCCCO1 62a_100000211543_100011934791 [1,1,0,0,0,0|1,0,1]=4 4536 B12R1.8 FCCCSCC1CCCCO1 62a_100011934791_100000211543 [1,1,0,0,0,0|1,0,1]=4 4537 B12R1.8 FCCNCCC1CCCCO1 2230a_100015183643_100011217306 [1,1,0,0,0,0|1,0,1]=4 4538 B12R1.8 FCCNCCC1CCCCO1 34a_100015183643_100011217306 [1,1,0,0,0,0|1,0,1]=4 4539 B12R1.8 NCCCOCC1CCCCO1 34a_100000182051_100000211543 [1,1,0,0,0,0|1,0,1]=4 4540 B12R1.8 OCCCCNC1C=CCCC1 2230a_100000750430_100000751183 [1,1,0,0,0,0|2,0,0]=4 4541 B12R1.8 OCCCCOC1C=CCCC1 34a_100011215024_100011216708 [1,1,0,0,0,0|2,0,0]=4 4542 B12R1.8 OCCCCOC1CCCCO1 34a_100000033831_100011216708 [1,1,0,0,0,0|1,0,1]=4 4543 B12R1.8 OCCCCSC1C=CCCC1 62a_100000210776_100000751183 [1,1,0,0,0,0|2,0,0]=4 4544 B12R1.8 OCCCCSC1C=CCCC1 62a_100000751183_100000210776 [1,1,0,0,0,0|2,0,0]=4 4545 B12R1.8 OCCCNCC1CCCCO1 2230a_100000174945_100000230001 [1,1,0,0,0,0|1,0,1]=4 4546 B12R1.8 OCCCNCC1CCCCO1 34a_100000174945_100000230001 [1,1,0,0,0,0|1,0,1]=4 4547 B12R1.8 OCCCOCC1CCC=CO1 34a_100011217868_100000230001 [1,1,0,0,0,0|1,0,1]=4 4548 B12R1.8 OCCCOCC1CCCCO1 34a_100000211370_100000230001 [1,1,0,0,0,0|1,0,1]=4 4549 B12R1.8 OCCCOCC1CCCCO1 7a_100000211370_100011215043 [1,1,0,0,0,0|1,0,1]=4 4550 B12R1.8 OCCCSCC1CCCCO1 62a_100000211543_100011215043 [1,1,0,0,0,0|1,0,1]=4 4551 B12R1.8 OCCCSCC1CCCCO1 62a_100011215043_100000211543 [1,1,0,0,0,0|1,0,1]=4 4552 B12R1.8 OCCNCCC1CCCCO1 2230a_100015183643_100000211926 [1,1,0,0,0,0|1,0,1]=4 4553 B12R1.8 OCCNCCC1CCCCO1 34a_100015183643_100000211926 [1,1,0,0,0,0|1,0,1]=4 4554 B12R1.8 [13CH3]OCCCCC1CCCCC1 34a_100011215267_200025704644 [1,1,0,0,0,0|1,0,1]=4 4555 B12R1.8 [13CH3]OCCCCC1CCCCC1 7a_100011215267_200025704644 [1,1,0,0,0,0|1,0,1]=4 4556 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_100000700653_200025704644 [1,1,0,0,0,0|1,0,1]=4 4557 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_200025704644_100000700653 [1,1,0,0,0,0|1,0,1]=4 4558 B12R1.27 CCC(C)CNC1C=CCCC1 2230a_100020588543_100000751183 [1,1,0,0,0,0|2,0,0]=4 4559 B12R1.27 CCC(C)COC1C=CCCC1 34a_100011215024_100000748023 [1,1,0,0,0,0|2,0,0]=4 4560 B12R1.27 CCC(C)COC1CCCCO1 34a_100000033831_100000748023 [1,1,0,0,0,0|1,0,1]=4 4561 B12R1.27 CCC(C)CSC1C=CCCC1 62a_100000748023_100000751183 [1,1,0,0,0,0|2,0,0]=4 4562 B12R1.27 CCC(C)CSC1C=CCCC1 62a_100000751183_100000748023 [1,1,0,0,0,0|2,0,0]=4 4563 B12R1.27 CCC(C)NCC1CCCCO1 2230a_100000174945_100000758301 [1,1,0,0,0,0|1,0,1]=4 4564 B12R1.27 CCC(C)NCC1CCCCO1 2230a_100000209981_100000211543 [1,1,0,0,0,0|1,0,1]=4 4565 B12R1.27 CCC(C)NCC1CCCCO1 34a_100000174945_100011215416 [1,1,0,0,0,0|1,0,1]=4 4566 B12R1.27 CCC(C)OCC1CCC=CO1 34a_100011217868_100011215416 [1,1,0,0,0,0|1,0,1]=4 4567 B12R1.27 CCC(C)OCC1CCCCO1 34a_100000211370_100011215416 [1,1,0,0,0,0|1,0,1]=4 4568 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000210228_100000211543 [1,1,0,0,0,0|1,0,1]=4 4569 B12R1.27 CCC(C)OCC1CCCCO1 7a_100000211370_100000758301 [1,1,0,0,0,0|1,0,1]=4 4570 B12R1.27 CCC(C)SCC1CCCCO1 62a_100000211543_100000758301 [1,1,0,0,0,0|1,0,1]=4 4571 B12R1.27 CCC(C)SCC1CCCCO1 62a_100000758301_100000211543 [1,1,0,0,0,0|1,0,1]=4 4572 B12R1.27 CCC(O)CNC1C=CCCC1 2230a_100011218483_100000751183 [1,1,0,0,0,0|2,0,0]=4 4573 B12R1.27 CCC(O)COC1C=CCCC1 34a_100011215024_100011218378 [1,1,0,0,0,0|2,0,0]=4 4574 B12R1.27 CCC(O)COC1CCCCO1 34a_100000033831_100011218378 [1,1,0,0,0,0|1,0,1]=4 4575 B12R1.27 CCC(O)CSC1C=CCCC1 62a_100000751183_100011218378 [1,1,0,0,0,0|2,0,0]=4 4576 B12R1.27 CCC(O)CSC1C=CCCC1 62a_100011218378_100000751183 [1,1,0,0,0,0|2,0,0]=4 4577 B12R1.27 CCN(C)CCC1CCCCO1 2230a_100015183322_100000210202 [1,1,0,0,0,0|1,0,1]=4 4578 B12R1.27 CCN(C)CCC1CCCCO1 269982a_100015183322_100000204670 [1,1,0,0,0,0|1,0,1]=4 4579 B12R1.27 CCN(C)CCC1CCCCO1 34a_100015183322_100000210202 [1,1,0,0,0,0|1,0,1]=4 4580 B12R1.27 CC[C@H](C)COC1C=CCCC1 34a_100011215024_100009816398 [1,1,0,0,0,0|2,0,0]=4 4581 B12R1.27 CC[C@H](C)COC1C=CCCC1 7a_100009816381_100000751183 [1,1,0,0,0,0|2,0,0]=4 4582 B12R1.27 CC[C@H](C)COC1CCCCO1 34a_100000033831_100009816398 [1,1,0,0,0,0|1,0,1]=4 4583 B12R1.27 CC[C@H](C)CSC1C=CCCC1 62a_100000751183_100009816398 [1,1,0,0,0,0|2,0,0]=4 4584 B12R1.27 CC[C@H](C)CSC1C=CCCC1 62a_100009816398_100000751183 [1,1,0,0,0,0|2,0,0]=4 4585 B12R1.30 CCCCC(=O)C1C=CCCC1 1458a_100000210183_100000751183 [1,1,0,0,0,0|1,0,1]=4 4586 B12R1.30 CCCCC(=O)C1CCCCO1 1458a_100000748299_100000210211 [1,1,0,0,0,0|0,0,2]=4 4587 B12R1.30 CCCCN(C)C1C=CCCC1 2230a_100000207549_100000751183 [1,1,0,0,0,0|2,0,0]=4 4588 B12R1.30 CCCCN(C)C1C=CCCC1 269982a_100000207549_100000751183 [1,1,0,0,0,0|2,0,0]=4 4589 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [1,1,0,0,0,0|0,0,2]=4 4590 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [1,1,0,0,0,0|0,0,2]=4 4591 B12R1.32 CCCC(C)NC1C=CCCC1 2230a_100000741246_100000751183 [1,1,0,0,0,0|2,0,0]=4 4592 B12R1.32 CCCC(C)OC1C=CCCC1 34a_100011215024_100000766640 [1,1,0,0,0,0|2,0,0]=4 4593 B12R1.32 CCCC(C)OC1C=CCCC1 7a_100000764384_100000751183 [1,1,0,0,0,0|2,0,0]=4 4594 B12R1.32 CCCC(C)OC1CCCCO1 34a_100000033831_100000766640 [1,1,0,0,0,0|1,0,1]=4 4595 B12R1.32 CCCC(C)SC1C=CCCC1 62a_100000751183_100000766640 [1,1,0,0,0,0|2,0,0]=4 4596 B12R1.32 CCCC(C)SC1C=CCCC1 62a_100000766640_100000751183 [1,1,0,0,0,0|2,0,0]=4 4597 B12R1.32 CCCN(C)CC1CCCCO1 2230a_100000225654_100000210303 [1,1,0,0,0,0|1,0,1]=4 4598 B12R1.32 CCCN(C)CC1CCCCO1 2230a_100000747261_100000211543 [1,1,0,0,0,0|1,0,1]=4 4599 B12R1.32 CCCN(C)CC1CCCCO1 269982a_100000225654_100000210303 [1,1,0,0,0,0|1,0,1]=4 4600 B12R1.32 CCCN(C)CC1CCCCO1 269982a_100000747261_100000211543 [1,1,0,0,0,0|1,0,1]=4 4601 B12R1.32 CCCN(C)CC1CCCCO1 34a_100000225654_100000210303 [1,1,0,0,0,0|1,0,1]=4 4602 B12R1.252 CC(Br)COCC1CCCCO1 34a_100012180447_100000211543 [1,1,0,0,0,0|1,0,1]=4 4603 B12R1.252 CC(C)CCOC1C=CCCC1 34a_100011215024_100000210312 [1,1,0,0,0,0|2,0,0]=4 4604 B12R1.252 CC(C)CCOC1C=CCCC1 7a_100000210254_100000751183 [1,1,0,0,0,0|2,0,0]=4 4605 B12R1.252 CC(C)CCOC1CCCCO1 34a_100000033831_100000210312 [1,1,0,0,0,0|1,0,1]=4 4606 B12R1.252 CC(C)CCSC1C=CCCC1 62a_100000210312_100000751183 [1,1,0,0,0,0|2,0,0]=4 4607 B12R1.252 CC(C)CCSC1C=CCCC1 62a_100000751183_100000210312 [1,1,0,0,0,0|2,0,0]=4 4608 B12R1.252 CC(C)CNCC1CCCCO1 2230a_100000174945_100000210760 [1,1,0,0,0,0|1,0,1]=4 4609 B12R1.252 CC(C)CNCC1CCCCO1 2230a_100000210953_100000211543 [1,1,0,0,0,0|1,0,1]=4 4610 B12R1.252 CC(C)CNCC1CCCCO1 270004a_100000174945_100000210432 [1,1,0,0,0,0|1,0,1]=4 4611 B12R1.252 CC(C)CNCC1CCCCO1 34a_100000174945_100000210624 [1,1,0,0,0,0|1,0,1]=4 4612 B12R1.252 CC(C)CNCC1CCCCO1 34a_100000210953_100000211543 [1,1,0,0,0,0|1,0,1]=4 4613 B12R1.252 CC(C)COCC1CCC=CO1 34a_100011217868_100000210624 [1,1,0,0,0,0|1,0,1]=4 4614 B12R1.252 CC(C)COCC1CCCCO1 34a_100000210257_100000211543 [1,1,0,0,0,0|1,0,1]=4 4615 B12R1.252 CC(C)COCC1CCCCO1 34a_100000211370_100000210624 [1,1,0,0,0,0|1,0,1]=4 4616 B12R1.252 CC(C)COCC1CCCCO1 7a_100000211370_100000210760 [1,1,0,0,0,0|1,0,1]=4 4617 B12R1.252 CC(C)CSCC1CCCCO1 62a_100000210624_100000211543 [1,1,0,0,0,0|1,0,1]=4 4618 B12R1.252 CC(C)CSCC1CCCCO1 62a_100000211543_100000210760 [1,1,0,0,0,0|1,0,1]=4 4619 B12R1.252 CC(C)NCCC1CCCCO1 2230a_100015183643_100000210206 [1,1,0,0,0,0|1,0,1]=4 4620 B12R1.252 CC(C)NCCC1CCCCO1 34a_100015183643_100000210206 [1,1,0,0,0,0|1,0,1]=4 4621 B12R1.252 CC(F)COCC1CCCCO1 34a_100015925927_100000211543 [1,1,0,0,0,0|1,0,1]=4 4622 B12R1.252 CC(O)CCNC1C=CCCC1 2230a_200000755665_100000751183 [1,1,0,0,0,0|2,0,0]=4 4623 B12R1.252 CC(O)CCOC1C=CCCC1 34a_100011215024_100012276601 [1,1,0,0,0,0|2,0,0]=4 4624 B12R1.252 CC(O)CCOC1CCCCO1 34a_100000033831_100012276601 [1,1,0,0,0,0|1,0,1]=4 4625 B12R1.252 CC(O)CCSC1C=CCCC1 62a_100000751183_100012276601 [1,1,0,0,0,0|2,0,0]=4 4626 B12R1.252 CC(O)CCSC1C=CCCC1 62a_100012276601_100000751183 [1,1,0,0,0,0|2,0,0]=4 4627 B12R1.252 CC(O)CNCC1CCCCO1 2230a_100000174945_100011218427 [1,1,0,0,0,0|1,0,1]=4 4628 B12R1.252 CC(O)CNCC1CCCCO1 2230a_100000210904_100000211543 [1,1,0,0,0,0|1,0,1]=4 4629 B12R1.252 CC(O)CNCC1CCCCO1 34a_100000174945_100011218427 [1,1,0,0,0,0|1,0,1]=4 4630 B12R1.252 CC(O)CNCC1CCCCO1 34a_100000210904_100000211543 [1,1,0,0,0,0|1,0,1]=4 4631 B12R1.252 CC(O)COCC1CCC=CO1 34a_100011217868_100011218427 [1,1,0,0,0,0|1,0,1]=4 4632 B12R1.252 CC(O)COCC1CCCCO1 34a_100000211370_100011218427 [1,1,0,0,0,0|1,0,1]=4 4633 B12R1.252 CC(O)COCC1CCCCO1 7a_100000211370_100011218427 [1,1,0,0,0,0|1,0,1]=4 4634 B12R1.252 CC(O)CSCC1CCCCO1 62a_100000211543_100011218427 [1,1,0,0,0,0|1,0,1]=4 4635 B12R1.252 CC(O)CSCC1CCCCO1 62a_100011218427_100000211543 [1,1,0,0,0,0|1,0,1]=4 4636 B12R1.252 C[C@@H](Cl)COCC1CCCCO1 34a_100016084084_100000211543 [1,1,0,0,0,0|1,0,1]=4 4637 B12R1.252 C[C@@H](N)COCC1CCCCO1 34a_100000737577_100000211543 [1,1,0,0,0,0|1,0,1]=4 4638 B12R1.252 C[C@@H](O)CNCC1CCCCO1 2230a_100000174945_100009817552 [1,1,0,0,0,0|1,0,1]=4 4639 B12R1.252 C[C@@H](O)CNCC1CCCCO1 34a_100000174945_100009817552 [1,1,0,0,0,0|1,0,1]=4 4640 B12R1.252 C[C@@H](O)COCC1CCC=CO1 34a_100011217868_100009817552 [1,1,0,0,0,0|1,0,1]=4 4641 B12R1.252 C[C@@H](O)COCC1CCCCO1 34a_100000211370_100009817552 [1,1,0,0,0,0|1,0,1]=4 4642 B12R1.252 C[C@@H](O)COCC1CCCCO1 7a_100000211370_100009817552 [1,1,0,0,0,0|1,0,1]=4 4643 B12R1.252 C[C@@H](O)CSCC1CCCCO1 62a_100000211543_100009817552 [1,1,0,0,0,0|1,0,1]=4 4644 B12R1.252 C[C@@H](O)CSCC1CCCCO1 62a_100009817552_100000211543 [1,1,0,0,0,0|1,0,1]=4 4645 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,1,0,0,1,0|2,0,0]=4 4646 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,1,0,0,1,0|1,0,0]=3 4647 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,1,0,0,1,0|2,0,0]=4 4648 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,1,0,0,1,0|1,0,0]=3 4649 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,1,0,0,1,0|1,0,0]=3 4650 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,1,0,0,1,0|2,0,0]=4 4651 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,1,0,0,1,0|2,0,0]=4 4652 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,1,0,0,1,0|1,0,0]=3 4653 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,1,0,0,1,0|1,0,0]=3 4654 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [0,1,0,0,1,0|1,0,0]=3 4655 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [0,1,0,0,1,0|1,0,0]=3 4656 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [0,1,0,0,1,0|1,0,0]=3 4657 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [0,1,0,0,1,0|1,0,0]=3 4658 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,1,0,0,1,0|2,0,0]=4 4659 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,1,0,0,1,0|2,0,0]=4 4660 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,1,0,0,1,0|1,0,0]=3 4661 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,1,0,0,1,0|2,0,0]=4 4662 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,1,0,0,1,0|1,0,0]=3 4663 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,1,0,0,1,0|1,0,0]=3 4664 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,1,0,0,1,0|1,0,0]=3 4665 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,1,0,0,1,0|1,0,0]=3 4666 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,1,0,0,1,0|1,0,0]=3 4667 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,1,0,0,1,0|2,0,0]=4 4668 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,1,0,0,1,0|2,0,0]=4 4669 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,1,0,0,1,0|1,0,0]=3 4670 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,1,0,0,1,0|1,0,0]=3 4671 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,1,0,0,1,0|1,0,0]=3 4672 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,1,0,0,1,0|1,0,0]=3 4673 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [0,1,0,0,1,0|1,0,0]=3 4674 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [0,1,0,0,1,0|1,0,0]=3 4675 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,1,0,0,1,0|2,0,0]=4 4676 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,1,0,0,1,0|2,0,0]=4 4677 B12R1.7 CCCSCCC1COS(=O)O1 62a_100000210303_100009840081 [0,1,0,0,1,0|2,0,0]=4 4678 B12R1.7 CCOCCNC1COC(=O)O1 34a_102516460346_100000032252 [0,1,0,0,1,0|2,0,0]=4 4679 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,1,0,0,1,0|2,0,0]=4 4680 B12R1.7 CCOCCOC1COC(=O)O1 34a_100000210136_100000032252 [0,1,0,0,1,0|2,0,0]=4 4681 B12R1.7 CCOCCSC1COC(=O)O1 62a_100000210147_100000032252 [0,1,0,0,1,0|2,0,0]=4 4682 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000181169_100000739092 [0,1,0,0,1,0|2,0,0]=4 4683 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000739092_100000181169 [0,1,0,0,1,0|2,0,0]=4 4684 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000073702_100000739092 [0,1,0,0,1,0|2,0,0]=4 4685 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000739092_100000073702 [0,1,0,0,1,0|2,0,0]=4 4686 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100000739092_100015189358 [0,1,0,0,1,0|2,0,0]=4 4687 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000739092 [0,1,0,0,1,0|2,0,0]=4 4688 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,1,0,0,1,0|2,0,0]=4 4689 B12R1.7 CCSCCOC1COC(=O)O1 34a_100000212035_100000032252 [0,1,0,0,1,0|2,0,0]=4 4690 B12R1.7 CCSCCSC1COC(=O)O1 62a_100000757381_100000032252 [0,1,0,0,1,0|2,0,0]=4 4691 B12R1.7 CNCCCOC1COC(=O)O1 34a_100000213112_100000032252 [0,1,0,0,1,0|2,0,0]=4 4692 B12R1.7 COCCCNC1COC(=O)O1 34a_100150723488_100000032252 [0,1,0,0,1,0|2,0,0]=4 4693 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,1,0,0,1,0|2,0,0]=4 4694 B12R1.7 COCCCOC1COC(=O)O1 34a_100000740835_100000032252 [0,1,0,0,1,0|2,0,0]=4 4695 B12R1.7 COCCCSC1COC(=O)O1 62a_100000709357_100000032252 [0,1,0,0,1,0|2,0,0]=4 4696 B12R1.7 COCCNCC1CNC(=O)O1 2230a_100000209980_100000181169 [0,1,0,0,1,0|2,0,0]=4 4697 B12R1.7 COCCNC[C@@H]1CCC(=O)N1 2230a_100000209980_100015189358 [0,1,0,0,1,0|2,0,0]=4 4698 B12R1.7 COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011201679 [0,1,0,0,1,0|2,0,0]=4 4699 B12R1.7 COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011201679 [0,1,0,0,1,0|2,0,0]=4 4700 B12R1.7 COCCOCC1CCC(=O)N1 34a_100000737831_100011201679 [0,1,0,0,1,0|2,0,0]=4 4701 B12R1.7 COCCOCC1CNC(=O)O1 34a_100000210237_100000181169 [0,1,0,0,1,0|2,0,0]=4 4702 B12R1.7 COCCOCC1CNC(=O)O1 34a_100011315639_100011201679 [0,1,0,0,1,0|2,0,0]=4 4703 B12R1.7 COCCOCC1COC(=O)O1 34a_100000210237_100000073702 [0,1,0,0,1,0|2,0,0]=4 4704 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000181169_100000233755 [0,1,0,0,1,0|2,0,0]=4 4705 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000233755_100000181169 [0,1,0,0,1,0|2,0,0]=4 4706 B12R1.7 COCCSCC1COC(=O)O1 62a_100000073702_100000233755 [0,1,0,0,1,0|2,0,0]=4 4707 B12R1.7 COCCSCC1COC(=O)O1 62a_100000233755_100000073702 [0,1,0,0,1,0|2,0,0]=4 4708 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100000233755_100015189358 [0,1,0,0,1,0|2,0,0]=4 4709 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000233755 [0,1,0,0,1,0|2,0,0]=4 4710 B12R1.7 CSCCCOC1COC(=O)O1 34a_100000690336_100000032252 [0,1,0,0,1,0|2,0,0]=4 4711 B12R1.7 CSCCNCC1CNC(=O)O1 2230a_100020590264_100000181169 [0,1,0,0,1,0|2,0,0]=4 4712 B12R1.7 CSCCNC[C@@H]1CCC(=O)N1 2230a_100020590264_100015189358 [0,1,0,0,1,0|2,0,0]=4 4713 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000751147 [0,1,0,0,1,0|2,0,0]=4 4714 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000212216 [0,1,0,0,1,0|2,0,0]=4 4715 B12R1.7 CSCCOCC1CCC(=O)N1 34a_100000737831_100000212216 [0,1,0,0,1,0|2,0,0]=4 4716 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100000230434_100000181169 [0,1,0,0,1,0|2,0,0]=4 4717 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100011315639_100000212216 [0,1,0,0,1,0|2,0,0]=4 4718 B12R1.7 CSCCOCC1CNC(=O)O1 7a_100000230434_100000181169 [0,1,0,0,1,0|2,0,0]=4 4719 B12R1.7 CSCCOCC1COC(=O)O1 34a_100000230434_100000073702 [0,1,0,0,1,0|2,0,0]=4 4720 B12R1.7 CSCCOC[C@@H]1CCC(=O)N1 7a_100000230434_100015189358 [0,1,0,0,1,0|2,0,0]=4 4721 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000181169_100000751147 [0,1,0,0,1,0|2,0,0]=4 4722 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000212216_100000181169 [0,1,0,0,1,0|2,0,0]=4 4723 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000073702_100000751147 [0,1,0,0,1,0|2,0,0]=4 4724 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000212216_100000073702 [0,1,0,0,1,0|2,0,0]=4 4725 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100000212216_100015189358 [0,1,0,0,1,0|2,0,0]=4 4726 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000751147 [0,1,0,0,1,0|2,0,0]=4 4727 B12R1.7 NCCCCOC1COC(=O)O1 34a_100000750430_100000032252 [0,1,0,0,1,0|2,0,0]=4 4728 B12R1.7 NCCCOCC1CNC(=O)O1 34a_100000182051_100000181169 [0,1,0,0,1,0|2,0,0]=4 4729 B12R1.7 NCCCOCC1COC(=O)O1 34a_100000182051_100000073702 [0,1,0,0,1,0|2,0,0]=4 4730 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,1,0,0,1,0|2,0,0]=4 4731 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,1,0,0,1,0|2,0,0]=4 4732 B12R1.7 O=C1CCC(N1)COCCCF 34a_100000737831_100011934791 [0,1,0,0,1,0|2,0,0]=4 4733 B12R1.7 O=C1CCC(N1)COCCCO 34a_100000737831_100000230001 [0,1,0,0,1,0|2,0,0]=4 4734 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 2230a_100015423886_100011934791 [0,1,0,0,1,0|2,0,0]=4 4735 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 34a_100015423886_100011934791 [0,1,0,0,1,0|2,0,0]=4 4736 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 2230a_100015423886_100000230001 [0,1,0,0,1,0|2,0,0]=4 4737 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 34a_100015423886_100000230001 [0,1,0,0,1,0|2,0,0]=4 4738 B12R1.7 O=C1CC[C@H](N1)CNCCCF 2230a_100015189416_100015189358 [0,1,0,0,1,0|2,0,0]=4 4739 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100011934791_100015189358 [0,1,0,0,1,0|2,0,0]=4 4740 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100015189358_100011934791 [0,1,0,0,1,0|2,0,0]=4 4741 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100011215043_100015189358 [0,1,0,0,1,0|2,0,0]=4 4742 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100015189358_100011215043 [0,1,0,0,1,0|2,0,0]=4 4743 B12R1.7 O=C1NCC(O1)CNCCCF 2230a_100015189416_100000181169 [0,1,0,0,1,0|2,0,0]=4 4744 B12R1.7 O=C1NCC(O1)CNCCCF 34a_100015189416_100000181169 [0,1,0,0,1,0|2,0,0]=4 4745 B12R1.7 O=C1NCC(O1)COCCCBr 34a_100011217188_100000181169 [0,1,0,0,1,0|2,0,0]=4 4746 B12R1.7 O=C1NCC(O1)COCCCCl 34a_100000230001_100000181169 [0,1,0,0,1,0|2,0,0]=4 4747 B12R1.7 O=C1NCC(O1)COCCCF 34a_100000759539_100000181169 [0,1,0,0,1,0|2,0,0]=4 4748 B12R1.7 O=C1NCC(O1)COCCCF 34a_100011315639_100011934791 [0,1,0,0,1,0|2,0,0]=4 4749 B12R1.7 O=C1NCC(O1)COCCCO 34a_100011315639_100000230001 [0,1,0,0,1,0|2,0,0]=4 4750 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100000181169_100011934791 [0,1,0,0,1,0|2,0,0]=4 4751 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100011934791_100000181169 [0,1,0,0,1,0|2,0,0]=4 4752 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100000181169_100011215043 [0,1,0,0,1,0|2,0,0]=4 4753 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100011215043_100000181169 [0,1,0,0,1,0|2,0,0]=4 4754 B12R1.7 O=C1OCC(O1)CNCCCF 34a_100015189416_100000073702 [0,1,0,0,1,0|2,0,0]=4 4755 B12R1.7 O=C1OCC(O1)COCCCBr 34a_100011217188_100000073702 [0,1,0,0,1,0|2,0,0]=4 4756 B12R1.7 O=C1OCC(O1)COCCCCl 34a_100000230001_100000073702 [0,1,0,0,1,0|2,0,0]=4 4757 B12R1.7 O=C1OCC(O1)COCCCF 34a_100000759539_100000073702 [0,1,0,0,1,0|2,0,0]=4 4758 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100000073702_100011934791 [0,1,0,0,1,0|2,0,0]=4 4759 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100011934791_100000073702 [0,1,0,0,1,0|2,0,0]=4 4760 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100000073702_100011215043 [0,1,0,0,1,0|2,0,0]=4 4761 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100011215043_100000073702 [0,1,0,0,1,0|2,0,0]=4 4762 B12R1.7 O=C1OCC(O1)NCCCCO 34a_100000750430_100000032252 [0,1,0,0,1,0|2,0,0]=4 4763 B12R1.7 O=C1OCC(O1)OCCCCBr 34a_100011216708_100000032252 [0,1,0,0,1,0|2,0,0]=4 4764 B12R1.7 O=C1OCC(O1)OCCCCCl 34a_100000210776_100000032252 [0,1,0,0,1,0|2,0,0]=4 4765 B12R1.7 O=C1OCC(O1)OCCCCF 34a_100011995726_100000032252 [0,1,0,0,1,0|2,0,0]=4 4766 B12R1.7 O=C1OCC(O1)OCCCCI 34a_200012148704_100000032252 [0,1,0,0,1,0|2,0,0]=4 4767 B12R1.7 O=C1OCC(O1)SCCCCF 62a_100000729493_100000032252 [0,1,0,0,1,0|2,0,0]=4 4768 B12R1.7 O=C1OCC(O1)SCCCCO 62a_100000210776_100000032252 [0,1,0,0,1,0|2,0,0]=4 4769 B12R1.26 CCC(C)COC1CCC(=O)C1 34a_100012614533_100000748023 [0,1,0,0,1,0|2,0,0]=4 4770 B12R1.26 CCC(C)CSC1COC(=O)O1 62a_100000748023_100000032252 [0,1,0,0,1,0|2,0,0]=4 4771 B12R1.26 CCC(C)NCC1CNC(=O)O1 2230a_100000209981_100000181169 [0,1,0,0,1,0|2,0,0]=4 4772 B12R1.26 CCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000209981_100015189358 [0,1,0,0,1,0|2,0,0]=4 4773 B12R1.26 CCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000758301 [0,1,0,0,1,0|2,0,0]=4 4774 B12R1.26 CCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100011215416 [0,1,0,0,1,0|2,0,0]=4 4775 B12R1.26 CCC(C)OCC1CCC(=O)N1 34a_100000737831_100011215416 [0,1,0,0,1,0|2,0,0]=4 4776 B12R1.26 CCC(C)OCC1CNC(=O)O1 34a_100011315639_100011215416 [0,1,0,0,1,0|2,0,0]=4 4777 B12R1.26 CCC(C)OCC1CNC(=O)O1 7a_100000210228_100000181169 [0,1,0,0,1,0|2,0,0]=4 4778 B12R1.26 CCC(C)OC[C@@H]1CCC(=O)N1 7a_100000210228_100015189358 [0,1,0,0,1,0|2,0,0]=4 4779 B12R1.26 CCC(C)SCC1CNC(=O)O1 62a_100000181169_100000758301 [0,1,0,0,1,0|2,0,0]=4 4780 B12R1.26 CCC(C)SCC1CNC(=O)O1 62a_100000758301_100000181169 [0,1,0,0,1,0|2,0,0]=4 4781 B12R1.26 CCC(C)SCC1COC(=O)O1 62a_100000073702_100000758301 [0,1,0,0,1,0|2,0,0]=4 4782 B12R1.26 CCC(C)SCC1COC(=O)O1 62a_100000758301_100000073702 [0,1,0,0,1,0|2,0,0]=4 4783 B12R1.26 CCC(C)SC[C@@H]1CCC(=O)N1 62a_100000758301_100015189358 [0,1,0,0,1,0|2,0,0]=4 4784 B12R1.26 CCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000758301 [0,1,0,0,1,0|2,0,0]=4 4785 B12R1.26 CCC(O)COC1CCC(=O)C1 34a_100012614533_100011218378 [0,1,0,0,1,0|2,0,0]=4 4786 B12R1.26 CCC(O)CSC1COC(=O)O1 62a_100011218378_100000032252 [0,1,0,0,1,0|2,0,0]=4 4787 B12R1.26 CC[C@H](C)COC1CCC(=O)C1 34a_100012614533_100009816398 [0,1,0,0,1,0|2,0,0]=4 4788 B12R1.26 CC[C@H](C)CSC1COC(=O)O1 62a_100009816398_100000032252 [0,1,0,0,1,0|2,0,0]=4 4789 B12R1.29 CCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210211 [0,1,0,0,1,0|1,0,1]=4 4790 B12R1.29 CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210211 [0,1,0,0,1,0|0,0,1]=3 4791 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 11a_100020643023_100009814974 [0,1,0,0,1,0|1,0,1]=4 4792 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100020643023_100009814974 [0,1,0,0,1,0|1,0,1]=4 4793 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100020643023_100009814974 [0,1,0,0,1,0|1,0,1]=4 4794 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 527a_100020643023_100009814974 [0,1,0,0,1,0|1,0,1]=4 4795 B12R1.29 COCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000233755 [0,1,0,0,1,0|1,0,1]=4 4796 B12R1.29 CSCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000751147 [0,1,0,0,1,0|1,0,1]=4 4797 B12R1.29 O=C1CC[C@H](O1)C(=O)CCCF 1458a_100009814974_100011934791 [0,1,0,0,1,0|1,0,1]=4 4798 B12R1.29 O=C1CC[C@H](O1)C(=O)CCCO 1458a_100009814974_100011215043 [0,1,0,0,1,0|1,0,1]=4 4799 B12R1.31 CCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210303 [0,1,0,0,1,0|1,0,1]=4 4800 B12R1.31 CCCC(=O)CC1CNC(=O)O1 1458a_100000211992_100000181169 [0,1,0,0,1,0|1,0,1]=4 4801 B12R1.31 CCCC(=O)CC1COC(=O)O1 1458a_100000211992_100000073702 [0,1,0,0,1,0|1,0,1]=4 4802 B12R1.31 CCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000211992_100015189358 [0,1,0,0,1,0|1,0,1]=4 4803 B12R1.31 CCCC(C)OC1CCC(=O)C1 34a_100012614533_100000766640 [0,1,0,0,1,0|2,0,0]=4 4804 B12R1.31 CCCC(C)OC1COC(=O)O1 34a_100000764384_100000032252 [0,1,0,0,1,0|2,0,0]=4 4805 B12R1.31 CCCC(C)SC1COC(=O)O1 62a_100000766640_100000032252 [0,1,0,0,1,0|2,0,0]=4 4806 B12R1.31 CCCN(C)CC1CNC(=O)O1 2230a_100000747261_100000181169 [0,1,0,0,1,0|2,0,0]=4 4807 B12R1.31 CCCN(C)CC1CNC(=O)O1 269982a_100000747261_100000181169 [0,1,0,0,1,0|2,0,0]=4 4808 B12R1.31 CCCN(C)CC1COC(=O)O1 269982a_100000747261_100000073702 [0,1,0,0,1,0|2,0,0]=4 4809 B12R1.31 CCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000747261_100015189358 [0,1,0,0,1,0|2,0,0]=4 4810 B12R1.31 CCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000747261_100015189358 [0,1,0,0,1,0|2,0,0]=4 4811 B12R1.105 CC(Br)CCOC1COC(=O)O1 34a_100009893172_100000032252 [0,1,0,0,1,0|2,0,0]=4 4812 B12R1.105 CC(Br)COCC1CNC(=O)O1 34a_100012180447_100000181169 [0,1,0,0,1,0|2,0,0]=4 4813 B12R1.105 CC(Br)COCC1COC(=O)O1 34a_100012180447_100000073702 [0,1,0,0,1,0|2,0,0]=4 4814 B12R1.105 CC(C)CCOC1CCC(=O)C1 34a_100012614533_100000210312 [0,1,0,0,1,0|2,0,0]=4 4815 B12R1.105 CC(C)CCOC1COC(=O)O1 34a_100000210254_100000032252 [0,1,0,0,1,0|2,0,0]=4 4816 B12R1.105 CC(C)CCSC1COC(=O)O1 62a_100000210312_100000032252 [0,1,0,0,1,0|2,0,0]=4 4817 B12R1.105 CC(C)CNCC1CNC(=O)O1 2230a_100000210953_100000181169 [0,1,0,0,1,0|2,0,0]=4 4818 B12R1.105 CC(C)CNCC1CNC(=O)O1 34a_100000210953_100000181169 [0,1,0,0,1,0|2,0,0]=4 4819 B12R1.105 CC(C)CNCC1COC(=O)O1 34a_100000210953_100000073702 [0,1,0,0,1,0|2,0,0]=4 4820 B12R1.105 CC(C)CNC[C@@H]1CCC(=O)N1 2230a_100000210953_100015189358 [0,1,0,0,1,0|2,0,0]=4 4821 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210760 [0,1,0,0,1,0|2,0,0]=4 4822 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000210432 [0,1,0,0,1,0|2,0,0]=4 4823 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000210624 [0,1,0,0,1,0|2,0,0]=4 4824 B12R1.105 CC(C)COCC1CCC(=O)N1 34a_100000737831_100000210624 [0,1,0,0,1,0|2,0,0]=4 4825 B12R1.105 CC(C)COCC1CNC(=O)O1 34a_100000210257_100000181169 [0,1,0,0,1,0|2,0,0]=4 4826 B12R1.105 CC(C)COCC1CNC(=O)O1 34a_100011315639_100000210624 [0,1,0,0,1,0|2,0,0]=4 4827 B12R1.105 CC(C)COCC1COC(=O)O1 34a_100000210257_100000073702 [0,1,0,0,1,0|2,0,0]=4 4828 B12R1.105 CC(C)CSCC1CNC(=O)O1 62a_100000181169_100000210760 [0,1,0,0,1,0|2,0,0]=4 4829 B12R1.105 CC(C)CSCC1CNC(=O)O1 62a_100000210624_100000181169 [0,1,0,0,1,0|2,0,0]=4 4830 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000073702_100000210760 [0,1,0,0,1,0|2,0,0]=4 4831 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000210624_100000073702 [0,1,0,0,1,0|2,0,0]=4 4832 B12R1.105 CC(C)CSC[C@@H]1CCC(=O)N1 62a_100000210624_100015189358 [0,1,0,0,1,0|2,0,0]=4 4833 B12R1.105 CC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210760 [0,1,0,0,1,0|2,0,0]=4 4834 B12R1.105 CC(F)COCC1CNC(=O)O1 34a_100015925927_100000181169 [0,1,0,0,1,0|2,0,0]=4 4835 B12R1.105 CC(F)COCC1COC(=O)O1 34a_100015925927_100000073702 [0,1,0,0,1,0|2,0,0]=4 4836 B12R1.105 CC(O)CCOC1CCC(=O)C1 34a_100012614533_100012276601 [0,1,0,0,1,0|2,0,0]=4 4837 B12R1.105 CC(O)CCSC1COC(=O)O1 62a_100012276601_100000032252 [0,1,0,0,1,0|2,0,0]=4 4838 B12R1.105 CC(O)CNCC1CNC(=O)O1 2230a_100000210904_100000181169 [0,1,0,0,1,0|2,0,0]=4 4839 B12R1.105 CC(O)CNCC1CNC(=O)O1 34a_100000210904_100000181169 [0,1,0,0,1,0|2,0,0]=4 4840 B12R1.105 CC(O)CNCC1COC(=O)O1 34a_100000210904_100000073702 [0,1,0,0,1,0|2,0,0]=4 4841 B12R1.105 CC(O)CNC[C@@H]1CCC(=O)N1 2230a_100000210904_100015189358 [0,1,0,0,1,0|2,0,0]=4 4842 B12R1.105 CC(O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218427 [0,1,0,0,1,0|2,0,0]=4 4843 B12R1.105 CC(O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011218427 [0,1,0,0,1,0|2,0,0]=4 4844 B12R1.105 CC(O)COCC1CCC(=O)N1 34a_100000737831_100011218427 [0,1,0,0,1,0|2,0,0]=4 4845 B12R1.105 CC(O)COCC1CNC(=O)O1 34a_100011315639_100011218427 [0,1,0,0,1,0|2,0,0]=4 4846 B12R1.105 CC(O)CSCC1CNC(=O)O1 62a_100000181169_100011218427 [0,1,0,0,1,0|2,0,0]=4 4847 B12R1.105 CC(O)CSCC1CNC(=O)O1 62a_100011218427_100000181169 [0,1,0,0,1,0|2,0,0]=4 4848 B12R1.105 CC(O)CSCC1COC(=O)O1 62a_100000073702_100011218427 [0,1,0,0,1,0|2,0,0]=4 4849 B12R1.105 CC(O)CSCC1COC(=O)O1 62a_100011218427_100000073702 [0,1,0,0,1,0|2,0,0]=4 4850 B12R1.105 CC(O)CSC[C@@H]1CCC(=O)N1 62a_100011218427_100015189358 [0,1,0,0,1,0|2,0,0]=4 4851 B12R1.105 CC(O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218427 [0,1,0,0,1,0|2,0,0]=4 4852 B12R1.105 C[C@@H](Cl)COCC1CNC(=O)O1 34a_100016084084_100000181169 [0,1,0,0,1,0|2,0,0]=4 4853 B12R1.105 C[C@@H](Cl)COCC1COC(=O)O1 34a_100016084084_100000073702 [0,1,0,0,1,0|2,0,0]=4 4854 B12R1.105 C[C@@H](N)CCOC1COC(=O)O1 34a_100000706166_100000032252 [0,1,0,0,1,0|2,0,0]=4 4855 B12R1.105 C[C@@H](N)COCC1CNC(=O)O1 34a_100000737577_100000181169 [0,1,0,0,1,0|2,0,0]=4 4856 B12R1.105 C[C@@H](N)COCC1COC(=O)O1 34a_100000737577_100000073702 [0,1,0,0,1,0|2,0,0]=4 4857 B12R1.105 C[C@@H](O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100009817552 [0,1,0,0,1,0|2,0,0]=4 4858 B12R1.105 C[C@@H](O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100009817552 [0,1,0,0,1,0|2,0,0]=4 4859 B12R1.105 C[C@@H](O)COCC1CCC(=O)N1 34a_100000737831_100009817552 [0,1,0,0,1,0|2,0,0]=4 4860 B12R1.105 C[C@@H](O)COCC1CNC(=O)O1 34a_100011315639_100009817552 [0,1,0,0,1,0|2,0,0]=4 4861 B12R1.105 C[C@@H](O)CSCC1CNC(=O)O1 62a_100000181169_100009817552 [0,1,0,0,1,0|2,0,0]=4 4862 B12R1.105 C[C@@H](O)CSCC1CNC(=O)O1 62a_100009817552_100000181169 [0,1,0,0,1,0|2,0,0]=4 4863 B12R1.105 C[C@@H](O)CSCC1COC(=O)O1 62a_100000073702_100009817552 [0,1,0,0,1,0|2,0,0]=4 4864 B12R1.105 C[C@@H](O)CSCC1COC(=O)O1 62a_100009817552_100000073702 [0,1,0,0,1,0|2,0,0]=4 4865 B12R1.105 C[C@@H](O)CSC[C@@H]1CCC(=O)N1 62a_100009817552_100015189358 [0,1,0,0,1,0|2,0,0]=4 4866 B12R1.105 C[C@@H](O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100009817552 [0,1,0,0,1,0|2,0,0]=4 4867 B12R1.45 CCCCCC1CCCC1NC 269862a_106832991636_200000198059 [0,1,0,0,1,0|1,0,1]=4 4868 B12R1.45 CCCCCC1CCCC1NC 270004a_106832991635_200000198059 [0,1,0,0,1,0|1,0,1]=4 4869 B12R1.130 C=C(C)CCOC1CCCC1=O 34a_100000764851_100000709159 [0,1,0,0,1,0|1,0,1]=4 4870 B12R1.130 C=C(C)CCOC1CCCC1=O 34a_200000719330_100000730704 [0,1,0,0,1,0|1,0,1]=4 4871 B12R1.130 C=C(C)CCSC1CCCC1=O 62a_100000211823_100000730704 [0,1,0,0,1,0|1,0,1]=4 4872 B12R1.130 C=C(C)CCSC1CCCC1=O 62a_100000730704_100000211823 [0,1,0,0,1,0|1,0,1]=4 4873 B12R1.130 CC(=O)CCOC1CCCC1=O 34a_100000759926_100000709159 [0,1,0,0,1,0|1,0,1]=4 4874 B12R1.130 CC(=O)CCOC1CCCC1=O 7a_100000759926_100000211823 [0,1,0,0,1,0|1,0,1]=4 4875 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000053229_100000211823 [0,1,0,0,1,0|1,0,1]=4 4876 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000211823_100000053229 [0,1,0,0,1,0|1,0,1]=4 4877 B12R1.130 CC(Br)CCOC1CCCC1=O 34a_100009893172_100000709159 [0,1,0,0,1,0|1,0,0]=3 4878 B12R1.130 CC(Br)CCOC1CCOC1=O 34a_100009893172_100000211211 [0,1,0,0,1,0|2,0,0]=4 4879 B12R1.130 CC(C)CCNC1CCNC1=O 2230a_100016995588_100000210312 [0,1,0,0,1,0|2,0,0]=4 4880 B12R1.130 CC(C)CCNC1CCNC1=O 34a_100016995588_100000210312 [0,1,0,0,1,0|2,0,0]=4 4881 B12R1.130 CC(C)CCOC1CCCC1=O 34a_100000210254_100000709159 [0,1,0,0,1,0|1,0,0]=3 4882 B12R1.130 CC(C)CCOC1CCCC1=O 34a_200000719330_100000210312 [0,1,0,0,1,0|1,0,0]=3 4883 B12R1.130 CC(C)CCOC1CCCC1=O 7a_100000210254_100000211823 [0,1,0,0,1,0|1,0,0]=3 4884 B12R1.130 CC(C)CCOC1CCOC1=O 34a_100000210254_100000211211 [0,1,0,0,1,0|2,0,0]=4 4885 B12R1.130 CC(C)CCOC1CCOC1=O 7a_100000210254_100000211211 [0,1,0,0,1,0|2,0,0]=4 4886 B12R1.130 CC(C)CCO[C@H]1CCNC1=O 34a_100000688343_100000210312 [0,1,0,0,1,0|2,0,0]=4 4887 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000210312_100000211823 [0,1,0,0,1,0|1,0,0]=3 4888 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000211823_100000210312 [0,1,0,0,1,0|1,0,0]=3 4889 B12R1.130 CC(C)CCSC1CCOC1=O 62a_100000210312_100000211211 [0,1,0,0,1,0|2,0,0]=4 4890 B12R1.130 CC(C)CCSC1CCOC1=O 62a_100000211211_100000210312 [0,1,0,0,1,0|2,0,0]=4 4891 B12R1.130 CC(C)COCC1CCNC1=O 34a_100000133458_100000210624 [0,1,0,0,1,0|2,0,0]=4 4892 B12R1.130 CC(C)CSCN1CCCC1=O 62a_100000026320_100000210760 [0,1,0,0,1,0|2,0,0]=4 4893 B12R1.130 CC(C)CSCN1CCCC1=O 62a_100000210624_100000026320 [0,1,0,0,1,0|2,0,0]=4 4894 B12R1.130 CC(C)NCCN1CCCC1=O 2230a_100011200922_100000210206 [0,1,0,0,1,0|2,0,0]=4 4895 B12R1.130 CC(C)NCCN1CCCC1=O 2230a_100138425928_100000739059 [0,1,0,0,1,0|2,0,0]=4 4896 B12R1.130 CC(C)NCCN1CCCC1=O 34a_100138425928_100000739059 [0,1,0,0,1,0|2,0,0]=4 4897 B12R1.130 CC(C)OCCN1CCCC1=O 34a_100000211209_100000210206 [0,1,0,0,1,0|2,0,0]=4 4898 B12R1.130 CC(C)OCCN1CCCC1=O 34a_100000212225_100000739059 [0,1,0,0,1,0|2,0,0]=4 4899 B12R1.130 CC(C)OCCN1CCCC1=O 7a_100000211209_100000210206 [0,1,0,0,1,0|2,0,0]=4 4900 B12R1.130 CC(C)OCOC1CCCC1=O 34a_200000719330_100000709892 [0,1,0,0,1,0|2,0,0]=4 4901 B12R1.130 CC(C)OCSC1CCCC1=O 62a_100000211823_100000709892 [0,1,0,0,1,0|2,0,0]=4 4902 B12R1.130 CC(C)OCSC1CCCC1=O 62a_100000709892_100000211823 [0,1,0,0,1,0|2,0,0]=4 4903 B12R1.130 CC(C)SCCN1CCCC1=O 62a_100000210206_100000739059 [0,1,0,0,1,0|2,0,0]=4 4904 B12R1.130 CC(C)SCCN1CCCC1=O 62a_100000739059_100000210206 [0,1,0,0,1,0|2,0,0]=4 4905 B12R1.130 CC(O)CCNC1CCCC1=O 2230a_200000755665_100000211823 [0,1,0,0,1,0|1,0,0]=3 4906 B12R1.130 CC(O)CCNC1CCNC1=O 2230a_100016995588_100012276601 [0,1,0,0,1,0|2,0,0]=4 4907 B12R1.130 CC(O)CCNC1CCNC1=O 34a_100016995588_100012276601 [0,1,0,0,1,0|2,0,0]=4 4908 B12R1.130 CC(O)CCNC1CCOC1=O 2230a_200000755665_100000211211 [0,1,0,0,1,0|2,0,0]=4 4909 B12R1.130 CC(O)CCOC1CCCC1=O 34a_200000719330_100012276601 [0,1,0,0,1,0|1,0,0]=3 4910 B12R1.130 CC(O)CCO[C@H]1CCNC1=O 34a_100000688343_100012276601 [0,1,0,0,1,0|2,0,0]=4 4911 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100000211823_100012276601 [0,1,0,0,1,0|1,0,0]=3 4912 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100012276601_100000211823 [0,1,0,0,1,0|1,0,0]=3 4913 B12R1.130 CC(O)CCSC1CCOC1=O 62a_100000211211_100012276601 [0,1,0,0,1,0|2,0,0]=4 4914 B12R1.130 CC(O)CCSC1CCOC1=O 62a_100012276601_100000211211 [0,1,0,0,1,0|2,0,0]=4 4915 B12R1.130 CC(O)COCC1CCNC1=O 34a_100000133458_100011218427 [0,1,0,0,1,0|2,0,0]=4 4916 B12R1.130 CC(O)CSCN1CCCC1=O 62a_100000026320_100011218427 [0,1,0,0,1,0|2,0,0]=4 4917 B12R1.130 CC(O)CSCN1CCCC1=O 62a_100011218427_100000026320 [0,1,0,0,1,0|2,0,0]=4 4918 B12R1.130 CN(C)CCSC1CCCC1=O 62a_100000211823_100000755713 [0,1,0,0,1,0|2,0,0]=4 4919 B12R1.130 C[C@@H](N)CCOC1CCCC1=O 34a_100000706166_100000709159 [0,1,0,0,1,0|1,0,0]=3 4920 B12R1.130 C[C@@H](N)CCOC1CCOC1=O 34a_100000706166_100000211211 [0,1,0,0,1,0|2,0,0]=4 4921 B12R1.130 C[C@@H](O)COCC1CCNC1=O 34a_100000133458_100009817552 [0,1,0,0,1,0|2,0,0]=4 4922 B12R1.130 C[C@@H](O)CSCN1CCCC1=O 62a_100000026320_100009817552 [0,1,0,0,1,0|2,0,0]=4 4923 B12R1.130 C[C@@H](O)CSCN1CCCC1=O 62a_100009817552_100000026320 [0,1,0,0,1,0|2,0,0]=4 4924 B12R1.130 O=C1CCCC1OCCC(F)F 34a_100103093639_100000709159 [0,1,0,0,1,0|2,0,0]=4 4925 B12R1.318 CC(CCBr)OC1CCCC1=O 34a_100012276601_100000709159 [0,1,0,0,1,0|2,0,0]=4 4926 B12R1.318 CC(CCO)OC1CCCC1=O 34a_200000719330_100009893172 [0,1,0,0,1,0|2,0,0]=4 4927 B12R1.318 CC(CCO)SC1CCCC1=O 62a_100000211823_100009893172 [0,1,0,0,1,0|2,0,0]=4 4928 B12R1.318 CC(CCO)SC1CCCC1=O 62a_100009893172_100000211823 [0,1,0,0,1,0|2,0,0]=4 4929 B12R1.318 CCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210303 [0,1,0,0,1,0|1,0,1]=4 4930 B12R1.318 CCCC(C)NC1CCCC1=O 2230a_100000741246_100000211823 [0,1,0,0,1,0|1,0,0]=3 4931 B12R1.318 CCCC(C)NC1CCNC1=O 2230a_100016995588_100000766640 [0,1,0,0,1,0|2,0,0]=4 4932 B12R1.318 CCCC(C)NC1CCNC1=O 270004a_100016995588_100000211909 [0,1,0,0,1,0|2,0,0]=4 4933 B12R1.318 CCCC(C)NC1CCNC1=O 34a_100016995588_100000766640 [0,1,0,0,1,0|2,0,0]=4 4934 B12R1.318 CCCC(C)NC1CCOC1=O 2230a_100000741246_100000211211 [0,1,0,0,1,0|2,0,0]=4 4935 B12R1.318 CCCC(C)OC1CCCC1=O 34a_100000764384_100000709159 [0,1,0,0,1,0|1,0,0]=3 4936 B12R1.318 CCCC(C)OC1CCCC1=O 34a_200000719330_100000766640 [0,1,0,0,1,0|1,0,0]=3 4937 B12R1.318 CCCC(C)OC1CCCC1=O 7a_100000764384_100000211823 [0,1,0,0,1,0|1,0,0]=3 4938 B12R1.318 CCCC(C)OC1CCOC1=O 34a_100000764384_100000211211 [0,1,0,0,1,0|2,0,0]=4 4939 B12R1.318 CCCC(C)OC1CCOC1=O 7a_100000764384_100000211211 [0,1,0,0,1,0|2,0,0]=4 4940 B12R1.318 CCCC(C)O[C@H]1CCNC1=O 34a_100000688343_100000766640 [0,1,0,0,1,0|2,0,0]=4 4941 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000211823_100000766640 [0,1,0,0,1,0|1,0,0]=3 4942 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000766640_100000211823 [0,1,0,0,1,0|1,0,0]=3 4943 B12R1.318 CCCC(C)SC1CCOC1=O 62a_100000211211_100000766640 [0,1,0,0,1,0|2,0,0]=4 4944 B12R1.318 CCCC(C)SC1CCOC1=O 62a_100000766640_100000211211 [0,1,0,0,1,0|2,0,0]=4 4945 B12R1.318 CCCN(C)CN1CCCC1=O 269982a_100000747261_100000026320 [0,1,0,0,1,0|2,0,0]=4 4946 B12R1.318 COCC(C)OC1CCCC1=O 34a_200000719330_100000765312 [0,1,0,0,1,0|2,0,0]=4 4947 B12R1.318 COCC(C)SC1CCCC1=O 62a_100000211823_100000765312 [0,1,0,0,1,0|2,0,0]=4 4948 B12R1.318 COCC(C)SC1CCCC1=O 62a_100000765312_100000211823 [0,1,0,0,1,0|2,0,0]=4 4949 B12R1.318 COC[C@@H](C)NC1CCCC1=O 2230a_100000764878_100000211823 [0,1,0,0,1,0|2,0,0]=4 4950 B12R1.318 COC[C@@H](C)OC1CCCC1=O 34a_100011934205_100000709159 [0,1,0,0,1,0|2,0,0]=4 4951 B12R1.318 C[C@H](CCO)NC1CCCC1=O 2230a_100000706166_100000211823 [0,1,0,0,1,0|2,0,0]=4 4952 B12R1.318 C[C@H](CCO)NC1CCCC1=O 34a_100000706166_100000709159 [0,1,0,0,1,0|2,0,0]=4 4953 B12R1.353 CC(CN)COC1CCCC1=O 34a_100000744482_100000709159 [0,1,0,0,1,0|2,0,0]=4 4954 B12R1.353 CC(CO)CNC1CCCC1=O 34a_100000744482_100000709159 [0,1,0,0,1,0|2,0,0]=4 4955 B12R1.353 CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210202 [0,1,0,0,1,0|1,0,1]=4 4956 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000210414_100000742232 [0,1,0,0,1,0|1,0,1]=4 4957 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210202 [0,1,0,0,1,0|1,0,1]=4 4958 B12R1.353 CCC(=O)COC1CCCC1=O 34a_100000725409_100000709159 [0,1,0,0,1,0|1,0,1]=4 4959 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000211823_100000747405 [0,1,0,0,1,0|1,0,1]=4 4960 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000747405_100000211823 [0,1,0,0,1,0|1,0,1]=4 4961 B12R1.353 CCC(C)CNC1CCCC1=O 2230a_100020588543_100000211823 [0,1,0,0,1,0|1,0,0]=3 4962 B12R1.353 CCC(C)CNC1CCNC1=O 2230a_100016995588_100000748023 [0,1,0,0,1,0|2,0,0]=4 4963 B12R1.353 CCC(C)CNC1CCNC1=O 270004a_100016995588_100000243153 [0,1,0,0,1,0|2,0,0]=4 4964 B12R1.353 CCC(C)CNC1CCNC1=O 34a_100016995588_100000748023 [0,1,0,0,1,0|2,0,0]=4 4965 B12R1.353 CCC(C)CNC1CCOC1=O 2230a_100020588543_100000211211 [0,1,0,0,1,0|2,0,0]=4 4966 B12R1.353 CCC(C)COC1CCCC1=O 34a_200000719330_100000748023 [0,1,0,0,1,0|1,0,0]=3 4967 B12R1.353 CCC(C)CO[C@H]1CCNC1=O 34a_100000688343_100000748023 [0,1,0,0,1,0|2,0,0]=4 4968 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000211823_100000748023 [0,1,0,0,1,0|1,0,0]=3 4969 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000748023_100000211823 [0,1,0,0,1,0|1,0,0]=3 4970 B12R1.353 CCC(C)CSC1CCOC1=O 62a_100000211211_100000748023 [0,1,0,0,1,0|2,0,0]=4 4971 B12R1.353 CCC(C)CSC1CCOC1=O 62a_100000748023_100000211211 [0,1,0,0,1,0|2,0,0]=4 4972 B12R1.353 CCC(C)OCC1CCNC1=O 34a_100000133458_100011215416 [0,1,0,0,1,0|2,0,0]=4 4973 B12R1.353 CCC(C)SCN1CCCC1=O 62a_100000026320_100000758301 [0,1,0,0,1,0|2,0,0]=4 4974 B12R1.353 CCC(C)SCN1CCCC1=O 62a_100000758301_100000026320 [0,1,0,0,1,0|2,0,0]=4 4975 B12R1.353 CCC(O)CNC1CCCC1=O 2230a_100011218483_100000211823 [0,1,0,0,1,0|1,0,0]=3 4976 B12R1.353 CCC(O)CNC1CCNC1=O 2230a_100016995588_100011218378 [0,1,0,0,1,0|2,0,0]=4 4977 B12R1.353 CCC(O)CNC1CCNC1=O 34a_100016995588_100011218378 [0,1,0,0,1,0|2,0,0]=4 4978 B12R1.353 CCC(O)CNC1CCOC1=O 2230a_100011218483_100000211211 [0,1,0,0,1,0|2,0,0]=4 4979 B12R1.353 CCC(O)COC1CCCC1=O 34a_200000719330_100011218378 [0,1,0,0,1,0|1,0,0]=3 4980 B12R1.353 CCC(O)CO[C@H]1CCNC1=O 34a_100000688343_100011218378 [0,1,0,0,1,0|2,0,0]=4 4981 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100000211823_100011218378 [0,1,0,0,1,0|1,0,0]=3 4982 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100011218378_100000211823 [0,1,0,0,1,0|1,0,0]=3 4983 B12R1.353 CCC(O)CSC1CCOC1=O 62a_100000211211_100011218378 [0,1,0,0,1,0|2,0,0]=4 4984 B12R1.353 CCC(O)CSC1CCOC1=O 62a_100011218378_100000211211 [0,1,0,0,1,0|2,0,0]=4 4985 B12R1.353 CCN(C)CCN1CCCC1=O 2230a_100000225621_100000739059 [0,1,0,0,1,0|2,0,0]=4 4986 B12R1.353 CCN(C)CCN1CCCC1=O 269982a_100000225621_100000739059 [0,1,0,0,1,0|2,0,0]=4 4987 B12R1.353 CC[C@H](C)CNC1CCNC1=O 2230a_100016995588_100009816398 [0,1,0,0,1,0|2,0,0]=4 4988 B12R1.353 CC[C@H](C)CNC1CCNC1=O 34a_100016995588_100009816398 [0,1,0,0,1,0|2,0,0]=4 4989 B12R1.353 CC[C@H](C)COC1CCCC1=O 34a_200000719330_100009816398 [0,1,0,0,1,0|1,0,0]=3 4990 B12R1.353 CC[C@H](C)COC1CCCC1=O 7a_100009816381_100000211823 [0,1,0,0,1,0|1,0,0]=3 4991 B12R1.353 CC[C@H](C)COC1CCOC1=O 7a_100009816381_100000211211 [0,1,0,0,1,0|2,0,0]=4 4992 B12R1.353 CC[C@H](C)CO[C@H]1CCNC1=O 34a_100000688343_100009816398 [0,1,0,0,1,0|2,0,0]=4 4993 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100000211823_100009816398 [0,1,0,0,1,0|1,0,0]=3 4994 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100009816398_100000211823 [0,1,0,0,1,0|1,0,0]=3 4995 B12R1.353 CC[C@H](C)CSC1CCOC1=O 62a_100000211211_100009816398 [0,1,0,0,1,0|2,0,0]=4 4996 B12R1.353 CC[C@H](C)CSC1CCOC1=O 62a_100009816398_100000211211 [0,1,0,0,1,0|2,0,0]=4 4997 B12R1.353 COC(C)COC1CCCC1=O 34a_100000690652_100000709159 [0,1,0,0,1,0|2,0,0]=4 4998 B12R1.353 CO[C@H](C)CNC1CCCC1=O 2230a_100020591295_100000211823 [0,1,0,0,1,0|2,0,0]=4 4999 B12R1.353 C[C@@H](CO)COC1CCCC1=O 34a_200000719330_100000059175 [0,1,0,0,1,0|2,0,0]=4 5000 B12R1.353 C[C@@H](CO)CSC1CCCC1=O 62a_100000059175_100000211823 [0,1,0,0,1,0|2,0,0]=4 5001 B12R1.353 C[C@@H](CO)CSC1CCCC1=O 62a_100000211823_100000059175 [0,1,0,0,1,0|2,0,0]=4 5002 B12R1.353 NC[C@@H](F)COC1CCCC1=O 34a_100015665980_100000709159 [0,1,0,0,1,0|2,0,0]=4 5003 B12R1.353 O=C1CCCC1NC[C@@H](F)CO 34a_100015665980_100000709159 [0,1,0,0,1,0|2,0,0]=4 5004 B12R1.353 O=C1CCCC1NC[C@H](O)CO 2230a_100020644852_100000211823 [0,1,0,0,1,0|2,0,0]=4 5005 B12R1.353 O=C1CCCC1OCC(Cl)CCl 34a_100000033668_100000709159 [0,1,0,0,1,0|2,0,0]=4 5006 B12R1.353 O=C1CCCC1OCC(O)CO 34a_200000719330_100011219619 [0,1,0,0,1,0|2,0,0]=4 5007 B12R1.353 O=C1CCCC1OC[C@@H](O)CF 34a_200000719330_100015614560 [0,1,0,0,1,0|2,0,0]=4 5008 B12R1.353 O=C1CCCC1OC[C@@H](O)CO 34a_200000719330_100009815848 [0,1,0,0,1,0|2,0,0]=4 5009 B12R1.353 O=C1CCCC1SCC(O)CO 62a_100000211823_100011219619 [0,1,0,0,1,0|2,0,0]=4 5010 B12R1.353 O=C1CCCC1SCC(O)CO 62a_100011219619_100000211823 [0,1,0,0,1,0|2,0,0]=4 5011 B12R1.353 O=C1CCCC1SC[C@@H](O)CF 62a_100000211823_100015614560 [0,1,0,0,1,0|2,0,0]=4 5012 B12R1.353 O=C1CCCC1SC[C@@H](O)CF 62a_100015614560_100000211823 [0,1,0,0,1,0|2,0,0]=4 5013 B12R1.353 O=C1CCCC1SC[C@@H](O)CO 62a_100000211823_100009815848 [0,1,0,0,1,0|2,0,0]=4 5014 B12R1.353 O=C1CCCC1SC[C@@H](O)CO 62a_100009815848_100000211823 [0,1,0,0,1,0|2,0,0]=4 5015 B12R1.372 C#CCCCNC1CCCC1=O 34a_100000718082_100000709159 [0,1,0,0,1,0|0,0,2]=4 5016 B12R1.372 C#CCCCOC1CCCC1=O 34a_100000215630_100000709159 [0,1,0,0,1,0|0,0,2]=4 5017 B12R1.372 C#CCCCOC1CCCC1=O 34a_200000719330_100000695029 [0,1,0,0,1,0|0,0,2]=4 5018 B12R1.372 C#CCCCOC1CCCC1=O 7a_100000215630_100000211823 [0,1,0,0,1,0|0,0,2]=4 5019 B12R1.372 C#CCCCSC1CCCC1=O 62a_100000211823_100011215417 [0,1,0,0,1,0|0,0,2]=4 5020 B12R1.372 C#CCCCSC1CCCC1=O 62a_100011215417_100000211823 [0,1,0,0,1,0|0,0,2]=4 5021 B12R1.372 C/C=C/CCOC1CCCC1=O 34a_100016278192_100000709159 [0,1,0,0,1,0|0,0,2]=4 5022 B12R1.372 C=CCCCNC1CCCC1=O 2230a_100000700776_100000211823 [0,1,0,0,1,0|0,0,2]=4 5023 B12R1.372 C=CCCCNC1CCCC1=O 34a_100000700776_100000709159 [0,1,0,0,1,0|0,0,2]=4 5024 B12R1.372 C=CCCCOC1CCCC1=O 34a_100000758997_100000709159 [0,1,0,0,1,0|0,0,2]=4 5025 B12R1.372 C=CCCCOC1CCCC1=O 34a_200000719330_100000757094 [0,1,0,0,1,0|0,0,2]=4 5026 B12R1.372 C=CCCCOC1CCCC1=O 7a_100000758997_100000211823 [0,1,0,0,1,0|0,0,2]=4 5027 B12R1.372 C=CCCCSC1CCCC1=O 62a_100000211823_100000757094 [0,1,0,0,1,0|0,0,2]=4 5028 B12R1.372 C=CCCCSC1CCCC1=O 62a_100011713584_100000211823 [0,1,0,0,1,0|0,0,2]=4 5029 B12R1.372 CC#CCCOC1CCCC1=O 34a_100000750427_100000709159 [0,1,0,0,1,0|0,0,2]=4 5030 B12R1.372 CC/C=C\COC1CCCC1=O 34a_100016268518_100000709159 [0,1,0,0,1,0|0,0,2]=4 5031 B12R1.372 CC/C=C\COC1CCCC1=O 34a_200000719330_100103147603 [0,1,0,0,1,0|0,0,2]=4 5032 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100000211823_100103147603 [0,1,0,0,1,0|0,0,2]=4 5033 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100103147603_100000211823 [0,1,0,0,1,0|0,0,2]=4 5034 B12R1.372 CCC#CCOC1CCCC1=O 34a_100000032950_100000709159 [0,1,0,0,1,0|0,0,2]=4 5035 B12R1.372 CCC#CCOC1CCCC1=O 34a_200000719330_100009813939 [0,1,0,0,1,0|0,0,2]=4 5036 B12R1.372 CCC#CCSC1CCCC1=O 62a_100000211823_100009813939 [0,1,0,0,1,0|0,0,2]=4 5037 B12R1.372 CCC#CCSC1CCCC1=O 62a_100009813939_100000211823 [0,1,0,0,1,0|0,0,2]=4 5038 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,1,0,0,1,0|0,0,0]=2 5039 B12R1.372 CCCCCNC1CCCC1C 269862a_100000209983_100000752053 [0,1,0,0,1,0|1,0,1]=4 5040 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [0,1,0,0,1,0|1,0,0]=3 5041 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [0,1,0,0,1,0|1,0,0]=3 5042 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [0,1,0,0,1,0|1,0,0]=3 5043 B12R1.372 CCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210326 [0,1,0,0,1,0|2,0,0]=4 5044 B12R1.372 CCCCCN[C@@H]1CONC1=O 34a_100000765999_100000718602 [0,1,0,0,1,0|2,0,0]=4 5045 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,1,0,0,1,0|0,0,0]=2 5046 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,1,0,0,1,0|0,0,0]=2 5047 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,1,0,0,1,0|0,0,0]=2 5048 B12R1.372 CCCCCOC1CCCC1C 34a_100011216460_100000718602 [0,1,0,0,1,0|1,0,1]=4 5049 B12R1.372 CCCCCOC1CCCC1C 7a_100011216460_100000210326 [0,1,0,0,1,0|1,0,1]=4 5050 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,1,0,0,1,0|1,0,0]=3 5051 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,1,0,0,1,0|1,0,0]=3 5052 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000718602 [0,1,0,0,1,0|1,0,1]=4 5053 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000718602 [0,1,0,0,1,0|1,0,1]=4 5054 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,1,0,0,1,0|1,0,0]=3 5055 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,1,0,0,1,0|0,0,0]=2 5056 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,1,0,0,1,0|0,0,0]=2 5057 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [0,1,0,0,1,0|1,0,0]=3 5058 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [0,1,0,0,1,0|1,0,0]=3 5059 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_100000210326_200016002552 [0,1,0,0,1,0|0,0,2]=4 5060 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210326 [0,1,0,0,1,0|0,0,2]=4 5061 B12R1.372 CCCCOCC1=CCCC1=O 34a_100000087531_100000210210 [0,1,0,0,1,0|0,0,2]=4 5062 B12R1.372 CCCCOCC1CCCN1C 34a_100000743107_100000210210 [0,1,0,0,1,0|2,0,0]=4 5063 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [0,1,0,0,1,0|1,0,0]=3 5064 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [0,1,0,0,1,0|1,0,0]=3 5065 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [0,1,0,0,1,0|1,0,0]=3 5066 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [0,1,0,0,1,0|1,0,0]=3 5067 B12R1.372 CCCNCCN1CCNC1=O 2230a_100011207550_100000210303 [0,1,0,0,1,0|2,0,0]=4 5068 B12R1.372 CCCOCCC1CCCN1C 34a_100000210258_100000005710 [0,1,0,0,1,0|2,0,0]=4 5069 B12R1.372 CCCOCCC1CCCN1C 34a_100011215177_100000210303 [0,1,0,0,1,0|2,0,0]=4 5070 B12R1.372 CCCOCCC1CCCN1C 7a_100011215177_100000210303 [0,1,0,0,1,0|2,0,0]=4 5071 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [0,1,0,0,1,0|1,0,0]=3 5072 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [0,1,0,0,1,0|1,0,0]=3 5073 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [0,1,0,0,1,0|1,0,0]=3 5074 B12R1.372 CCCOCCN1CCNC1=O 34a_100000216532_100000210303 [0,1,0,0,1,0|2,0,0]=4 5075 B12R1.372 CCCSCCC1CCCN1C 62a_100000005710_100000210303 [0,1,0,0,1,0|2,0,0]=4 5076 B12R1.372 CCCSCCC1CCCN1C 62a_100000210303_100000005710 [0,1,0,0,1,0|2,0,0]=4 5077 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [0,1,0,0,1,0|1,0,0]=3 5078 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [0,1,0,0,1,0|1,0,0]=3 5079 B12R1.372 CCCSCCN1CCNC1=O 62a_100000090651_100000210303 [0,1,0,0,1,0|2,0,0]=4 5080 B12R1.372 CCCSCCN1CCNC1=O 62a_100000210303_100000090651 [0,1,0,0,1,0|2,0,0]=4 5081 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [0,1,0,0,1,0|1,0,0]=3 5082 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [0,1,0,0,1,0|1,0,0]=3 5083 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [0,1,0,0,1,0|1,0,0]=3 5084 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [0,1,0,0,1,0|1,0,0]=3 5085 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [0,1,0,0,1,0|1,0,0]=3 5086 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [0,1,0,0,1,0|1,0,0]=3 5087 B12R1.372 CCOCCNC1CCNC1=O 2230a_100016995588_100011215890 [0,1,0,0,1,0|2,0,0]=4 5088 B12R1.372 CCOCCNC1CCNC1=O 34a_100016995588_100000210147 [0,1,0,0,1,0|2,0,0]=4 5089 B12R1.372 CCOCCNC1CCOC1=O 2230a_102516460346_100000211211 [0,1,0,0,1,0|2,0,0]=4 5090 B12R1.372 CCOCCNC1CCOC1=O 34a_102516460346_100000211211 [0,1,0,0,1,0|2,0,0]=4 5091 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [0,1,0,0,1,0|1,0,0]=3 5092 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [0,1,0,0,1,0|1,0,0]=3 5093 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [0,1,0,0,1,0|1,0,0]=3 5094 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [0,1,0,0,1,0|2,0,0]=4 5095 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [0,1,0,0,1,0|2,0,0]=4 5096 B12R1.372 CCOCCO[C@H]1CCNC1=O 34a_100000688343_100000210147 [0,1,0,0,1,0|2,0,0]=4 5097 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [0,1,0,0,1,0|1,0,0]=3 5098 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [0,1,0,0,1,0|1,0,0]=3 5099 B12R1.372 CCOCCSC1CCOC1=O 62a_100000210147_100000211211 [0,1,0,0,1,0|2,0,0]=4 5100 B12R1.372 CCOCCSC1CCOC1=O 62a_100000211211_100011215890 [0,1,0,0,1,0|2,0,0]=4 5101 B12R1.372 CCOCSCN1CCCC1=O 62a_100000026320_100000739092 [0,1,0,0,1,0|2,0,0]=4 5102 B12R1.372 CCOCSCN1CCCC1=O 62a_100000739092_100000026320 [0,1,0,0,1,0|2,0,0]=4 5103 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [0,1,0,0,1,0|1,0,0]=3 5104 B12R1.372 CCSCCNC1CCNC1=O 2230a_100016995588_100000757381 [0,1,0,0,1,0|2,0,0]=4 5105 B12R1.372 CCSCCNC1CCNC1=O 34a_100016995588_100000757381 [0,1,0,0,1,0|2,0,0]=4 5106 B12R1.372 CCSCCNC1CCOC1=O 2230a_100000106463_100000211211 [0,1,0,0,1,0|2,0,0]=4 5107 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [0,1,0,0,1,0|1,0,0]=3 5108 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [0,1,0,0,1,0|1,0,0]=3 5109 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [0,1,0,0,1,0|1,0,0]=3 5110 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [0,1,0,0,1,0|2,0,0]=4 5111 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [0,1,0,0,1,0|2,0,0]=4 5112 B12R1.372 CCSCCO[C@H]1CCNC1=O 34a_100000688343_100000757381 [0,1,0,0,1,0|2,0,0]=4 5113 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [0,1,0,0,1,0|1,0,0]=3 5114 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [0,1,0,0,1,0|1,0,0]=3 5115 B12R1.372 CCSCCSC1CCOC1=O 62a_100000211211_100000757381 [0,1,0,0,1,0|2,0,0]=4 5116 B12R1.372 CCSCCSC1CCOC1=O 62a_100000757381_100000211211 [0,1,0,0,1,0|2,0,0]=4 5117 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [0,1,0,0,1,0|1,0,0]=3 5118 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [0,1,0,0,1,0|2,0,0]=4 5119 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [0,1,0,0,1,0|1,0,0]=3 5120 B12R1.372 COCCCNC1CCNC1=O 2230a_100016995588_100000740836 [0,1,0,0,1,0|2,0,0]=4 5121 B12R1.372 COCCCNC1CCNC1=O 34a_100016995588_100000740836 [0,1,0,0,1,0|2,0,0]=4 5122 B12R1.372 COCCCNC1CCOC1=O 34a_100150723488_100000211211 [0,1,0,0,1,0|2,0,0]=4 5123 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [0,1,0,0,1,0|1,0,0]=3 5124 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [0,1,0,0,1,0|1,0,0]=3 5125 B12R1.372 COCCCOC1CCOC1=O 34a_100000740835_100000211211 [0,1,0,0,1,0|2,0,0]=4 5126 B12R1.372 COCCCO[C@H]1CCNC1=O 34a_100000688343_100000740836 [0,1,0,0,1,0|2,0,0]=4 5127 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [0,1,0,0,1,0|1,0,0]=3 5128 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [0,1,0,0,1,0|1,0,0]=3 5129 B12R1.372 COCCCSC1CCOC1=O 62a_100000211211_100000709357 [0,1,0,0,1,0|2,0,0]=4 5130 B12R1.372 COCCCSC1CCOC1=O 62a_100000709357_100000211211 [0,1,0,0,1,0|2,0,0]=4 5131 B12R1.372 COCCOCC1CCNC1=O 34a_100000133458_100011201679 [0,1,0,0,1,0|2,0,0]=4 5132 B12R1.372 COCCSCN1CCCC1=O 62a_100000026320_100000233755 [0,1,0,0,1,0|2,0,0]=4 5133 B12R1.372 COCCSCN1CCCC1=O 62a_100000233755_100000026320 [0,1,0,0,1,0|2,0,0]=4 5134 B12R1.372 COCNCCN1CCCC1=O 2230a_100011200922_100000766300 [0,1,0,0,1,0|2,0,0]=4 5135 B12R1.372 COCSCCN1CCCC1=O 62a_100000739059_100000766300 [0,1,0,0,1,0|2,0,0]=4 5136 B12R1.372 COCSCCN1CCCC1=O 62a_100000766300_100000739059 [0,1,0,0,1,0|2,0,0]=4 5137 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [0,1,0,0,1,0|1,0,0]=3 5138 B12R1.372 CSCCCNC1CCOC1=O 2230a_100000749238_100000211211 [0,1,0,0,1,0|2,0,0]=4 5139 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [0,1,0,0,1,0|1,0,0]=3 5140 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [0,1,0,0,1,0|1,0,0]=3 5141 B12R1.372 CSCCCOC1CCOC1=O 34a_100000690336_100000211211 [0,1,0,0,1,0|2,0,0]=4 5142 B12R1.372 CSCCCOC1CCOC1=O 7a_100000690336_100000211211 [0,1,0,0,1,0|2,0,0]=4 5143 B12R1.372 CSCCOCC1CCNC1=O 34a_100000133458_100000212216 [0,1,0,0,1,0|2,0,0]=4 5144 B12R1.372 CSCCSCN1CCCC1=O 62a_100000026320_100000751147 [0,1,0,0,1,0|2,0,0]=4 5145 B12R1.372 CSCCSCN1CCCC1=O 62a_100000212216_100000026320 [0,1,0,0,1,0|2,0,0]=4 5146 B12R1.372 CSCNCCN1CCCC1=O 2230a_100011200922_100011218213 [0,1,0,0,1,0|2,0,0]=4 5147 B12R1.372 CSCOCCN1CCCC1=O 34a_100000211209_100011218213 [0,1,0,0,1,0|2,0,0]=4 5148 B12R1.372 CSCSCCN1CCCC1=O 62a_100000739059_100011218213 [0,1,0,0,1,0|2,0,0]=4 5149 B12R1.372 CSCSCCN1CCCC1=O 62a_100011218213_100000739059 [0,1,0,0,1,0|2,0,0]=4 5150 B12R1.372 N#CCCCSC1CCCC1=O 62a_100000211823_100000687738 [0,1,0,0,1,0|1,0,1]=4 5151 B12R1.372 N#CCCCSC1CCCC1=O 62a_100000687738_100000211823 [0,1,0,0,1,0|1,0,1]=4 5152 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [0,1,0,0,1,0|1,0,0]=3 5153 B12R1.372 NCCCCOC1CCOC1=O 34a_100000750430_100000211211 [0,1,0,0,1,0|2,0,0]=4 5154 B12R1.372 NCCOCCN1CCCC1=O 34a_100000210304_100000739059 [0,1,0,0,1,0|2,0,0]=4 5155 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [0,1,0,0,1,0|1,0,0]=3 5156 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [0,1,0,0,1,0|1,0,0]=3 5157 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [0,1,0,0,1,0|1,0,0]=3 5158 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [0,1,0,0,1,0|1,0,0]=3 5159 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [0,1,0,0,1,0|1,0,0]=3 5160 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [0,1,0,0,1,0|1,0,0]=3 5161 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [0,1,0,0,1,0|1,0,0]=3 5162 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [0,1,0,0,1,0|1,0,0]=3 5163 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [0,1,0,0,1,0|1,0,0]=3 5164 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [0,1,0,0,1,0|1,0,0]=3 5165 B12R1.372 O=C1CCCC1SCCCCF 62a_100000211823_100000729493 [0,1,0,0,1,0|1,0,0]=3 5166 B12R1.372 O=C1CCCC1SCCCCF 62a_100000729493_100000211823 [0,1,0,0,1,0|1,0,0]=3 5167 B12R1.372 O=C1CCCC1SCCCCO 62a_100000210776_100000211823 [0,1,0,0,1,0|1,0,0]=3 5168 B12R1.372 O=C1CCCC1SCCCCO 62a_100000211823_100000210776 [0,1,0,0,1,0|1,0,0]=3 5169 B12R1.372 O=C1CCCN1CCCNCF 34a_100000210347_100015361967 [0,1,0,0,1,0|2,0,0]=4 5170 B12R1.372 O=C1CCCN1CCCOCF 34a_100011216539_100015361967 [0,1,0,0,1,0|2,0,0]=4 5171 B12R1.372 O=C1CCCN1CCCOCF 7a_100011216539_100015361967 [0,1,0,0,1,0|2,0,0]=4 5172 B12R1.372 O=C1CCCN1CCNCCF 2230a_100011200922_100011217306 [0,1,0,0,1,0|2,0,0]=4 5173 B12R1.372 O=C1CCCN1CCNCCF 34a_100000724931_100000739059 [0,1,0,0,1,0|2,0,0]=4 5174 B12R1.372 O=C1CCCN1CCNCCO 2230a_100011200922_100000211926 [0,1,0,0,1,0|2,0,0]=4 5175 B12R1.372 O=C1CCCN1CCNCCO 2230a_100016997473_100000739059 [0,1,0,0,1,0|2,0,0]=4 5176 B12R1.372 O=C1CCCN1CCNCCO 34a_100016990907_100000739059 [0,1,0,0,1,0|2,0,0]=4 5177 B12R1.372 O=C1CCCN1CCOCCBr 34a_100000211926_100000739059 [0,1,0,0,1,0|2,0,0]=4 5178 B12R1.372 O=C1CCCN1CCOCCF 34a_100000211209_100011217306 [0,1,0,0,1,0|2,0,0]=4 5179 B12R1.372 O=C1CCCN1CCOCCF 7a_100000211209_100011217306 [0,1,0,0,1,0|2,0,0]=4 5180 B12R1.372 O=C1CCCN1CCOCCO 34a_100000211209_100000211926 [0,1,0,0,1,0|2,0,0]=4 5181 B12R1.372 O=C1CCCN1CCOCCO 7a_100000211209_100000211926 [0,1,0,0,1,0|2,0,0]=4 5182 B12R1.372 O=C1CCCN1CCSCCF 62a_100000739059_100011217306 [0,1,0,0,1,0|2,0,0]=4 5183 B12R1.372 O=C1CCCN1CCSCCF 62a_100011217306_100000739059 [0,1,0,0,1,0|2,0,0]=4 5184 B12R1.372 O=C1CCCN1CCSCCO 62a_100000211926_100000739059 [0,1,0,0,1,0|2,0,0]=4 5185 B12R1.372 O=C1CCCN1CCSCCO 62a_100000739059_100000211926 [0,1,0,0,1,0|2,0,0]=4 5186 B12R1.372 O=C1CCCN1CSCCCF 62a_100000026320_100011934791 [0,1,0,0,1,0|2,0,0]=4 5187 B12R1.372 O=C1CCCN1CSCCCF 62a_100011934791_100000026320 [0,1,0,0,1,0|2,0,0]=4 5188 B12R1.372 O=C1CCCN1CSCCCO 62a_100000026320_100011215043 [0,1,0,0,1,0|2,0,0]=4 5189 B12R1.372 O=C1CCCN1CSCCCO 62a_100011215043_100000026320 [0,1,0,0,1,0|2,0,0]=4 5190 B12R1.372 O=C1NCCC1COCCCF 34a_100000133458_100011934791 [0,1,0,0,1,0|2,0,0]=4 5191 B12R1.372 O=C1NCCC1COCCCO 34a_100000133458_100000230001 [0,1,0,0,1,0|2,0,0]=4 5192 B12R1.372 O=C1NCCC1NCCCCF 2230a_100016995588_100000729493 [0,1,0,0,1,0|2,0,0]=4 5193 B12R1.372 O=C1NCCC1NCCCCF 34a_100016995588_100000729493 [0,1,0,0,1,0|2,0,0]=4 5194 B12R1.372 O=C1NCCC1NCCCCO 2230a_100016995588_100000210776 [0,1,0,0,1,0|2,0,0]=4 5195 B12R1.372 O=C1NCCC1NCCCCO 34a_100016995588_100011216708 [0,1,0,0,1,0|2,0,0]=4 5196 B12R1.372 O=C1NCC[C@@H]1OCCCCF 34a_100000688343_100000729493 [0,1,0,0,1,0|2,0,0]=4 5197 B12R1.372 O=C1NCC[C@@H]1OCCCCO 34a_100000688343_100011216708 [0,1,0,0,1,0|2,0,0]=4 5198 B12R1.372 O=C1OCCC1NCCCCO 2230a_100000750430_100000211211 [0,1,0,0,1,0|2,0,0]=4 5199 B12R1.372 O=C1OCCC1NCCCCO 34a_100000750430_100000211211 [0,1,0,0,1,0|2,0,0]=4 5200 B12R1.372 O=C1OCCC1OCCCCBr 34a_100011216708_100000211211 [0,1,0,0,1,0|2,0,0]=4 5201 B12R1.372 O=C1OCCC1OCCCCCl 34a_100000210776_100000211211 [0,1,0,0,1,0|2,0,0]=4 5202 B12R1.372 O=C1OCCC1OCCCCCl 7a_100000210776_100000211211 [0,1,0,0,1,0|2,0,0]=4 5203 B12R1.372 O=C1OCCC1OCCCCF 34a_100011995726_100000211211 [0,1,0,0,1,0|2,0,0]=4 5204 B12R1.372 O=C1OCCC1OCCCCF 7a_100011995726_100000211211 [0,1,0,0,1,0|2,0,0]=4 5205 B12R1.372 O=C1OCCC1OCCCCI 34a_200012148704_100000211211 [0,1,0,0,1,0|2,0,0]=4 5206 B12R1.372 O=C1OCCC1SCCCCF 62a_100000211211_100000729493 [0,1,0,0,1,0|2,0,0]=4 5207 B12R1.372 O=C1OCCC1SCCCCF 62a_100000729493_100000211211 [0,1,0,0,1,0|2,0,0]=4 5208 B12R1.372 O=C1OCCC1SCCCCO 62a_100000210776_100000211211 [0,1,0,0,1,0|2,0,0]=4 5209 B12R1.372 O=C1OCCC1SCCCCO 62a_100000211211_100000210776 [0,1,0,0,1,0|2,0,0]=4 5210 B12R1.372 O=CCCCSC1CCCC1=O 62a_100000211823_200011292268 [0,1,0,0,1,0|1,0,1]=4 5211 B12R1.372 O=CCCCSC1CCCC1=O 62a_200011292268_100000211823 [0,1,0,0,1,0|1,0,1]=4 5212 B12R1.460 CCCCC(=O)C1CCCC1=O 1458a_100000210183_100000211823 [0,1,0,0,1,0|0,0,1]=3 5213 B12R1.460 CCCCC(=O)C1CCOC1=O 1458a_100000210183_100000211211 [0,1,0,0,1,0|1,0,1]=4 5214 B12R1.460 CCCCN(C)C1CCCC1=O 2230a_100000207549_100000211823 [0,1,0,0,1,0|1,0,0]=3 5215 B12R1.460 CCCCN(C)C1CCCC1=O 269982a_100000207549_100000211823 [0,1,0,0,1,0|1,0,0]=3 5216 B12R1.460 CCCCN(C)C1CCOC1=O 2230a_100000207549_100000211211 [0,1,0,0,1,0|2,0,0]=4 5217 B12R1.460 CCCCN(C)C1CCOC1=O 269982a_100000207549_100000211211 [0,1,0,0,1,0|2,0,0]=4 5218 B12R1.460 CCOCC(=O)C1CCCC1=O 1458a_100000211967_100000211823 [0,1,0,0,1,0|1,0,1]=4 5219 B12R1.460 CCSCC(=O)C1CCCC1=O 1458a_100000230394_100000211823 [0,1,0,0,1,0|1,0,1]=4 5220 B12R1.460 CN(CCCO)C1CCCC1=O 2230a_100000213112_100000211823 [0,1,0,0,1,0|2,0,0]=4 5221 B12R1.460 CN(CCCO)C1CCCC1=O 269982a_100000213112_100000211823 [0,1,0,0,1,0|2,0,0]=4 5222 B12R1.460 COCCC(=O)C1CCCC1=O 1458a_100000749529_100000211823 [0,1,0,0,1,0|1,0,1]=4 5223 B12R1.460 COCCN(C)C1CCCC1=O 2230a_100000743101_100000211823 [0,1,0,0,1,0|2,0,0]=4 5224 B12R1.460 COCCN(C)C1CCCC1=O 269982a_100000743101_100000211823 [0,1,0,0,1,0|2,0,0]=4 5225 B12R1.460 CSCCC(=O)C1CCCC1=O 1458a_100000174002_100000211823 [0,1,0,0,1,0|1,0,1]=4 5226 B12R1.460 CSCCN(C)C1CCCC1=O 2230a_100000686725_100000211823 [0,1,0,0,1,0|2,0,0]=4 5227 B12R1.460 CSCCN(C)C1CCCC1=O 269982a_100000686725_100000211823 [0,1,0,0,1,0|2,0,0]=4 5228 B12R1.567 CCCCNC1C(=O)CCC1=O 2230a_100000102301_100009820769 [0,1,0,0,1,0|1,0,1]=4 5229 B12R1.567 CCCCNC1C(=O)CCC1=O 7a_106832991798_100009820769 [0,1,0,0,1,0|1,0,1]=4 5230 B12R1.567 CCCCOC1C(=O)CCC1=O 7a_100000210227_100009820769 [0,1,0,0,1,0|1,0,1]=4 5231 B12R1.567 CCCCSC1C(=O)CCC1=O 62a_100000210211_100009820769 [0,1,0,0,1,0|1,0,1]=4 5232 B12R1.567 CCCCSC1C(=O)CCC1=O 62a_100009820769_100000210210 [0,1,0,0,1,0|1,0,1]=4 5233 B14R1.1252 CCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210314 [0,1,0,0,0,1|2,0,0]=4 5234 B14R1.1252 CCCCOCN1CCCNC(=O)C1 2230a_100015190381_100011995733 [0,1,0,0,0,1|2,0,0]=4 5235 B14R1.1252 CCCOCCN1CCCNC(=O)C1 2230a_100015190381_100011215938 [0,1,0,0,0,1|2,0,0]=4 5236 B14R1.1252 CCOCCCN1CCCNC(=O)C1 2230a_100015190381_100012232248 [0,1,0,0,0,1|2,0,0]=4 5237 B14R1.1252 COCCCCN1CCCNC(=O)C1 2230a_100015190381_100000730899 [0,1,0,0,0,1|2,0,0]=4 5238 B14R1.1252 O=C1CN(CCCN1)CCCCCF 2230a_100015190381_100000729378 [0,1,0,0,0,1|2,0,0]=4 5239 B14R1.1252 O=C1CN(CCCN1)CCCCCO 2230a_100015190381_100000746330 [0,1,0,0,0,1|2,0,0]=4 5240 B14R1.2393 CCCCCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210326 [0,1,0,0,0,1|2,0,0]=4 5241 B14R1.2393 CCCCCN1CCCN(C(=O)C1)C 269982a_100000709885_100000210215 [0,1,0,0,0,1|2,0,0]=4 5242 B14R1.2393 CCCCCN1CCCN(C(=O)C1)C 34a_100000709885_100000718602 [0,1,0,0,0,1|2,0,0]=4 5243 B14R1.2468 CCCCC(C)N1CCCNC(=O)C1 2230a_100015190381_200011215066 [0,1,0,0,0,1|2,0,0]=4 5244 B14R1.2468 CCCCC(C)N1CCCNC(=O)C1 270004a_100015190381_100000210087 [0,1,0,0,0,1|2,0,0]=4 5245 B14R1.4898 CC(C)CCCN1CCCNC(=O)C1 2230a_100015190381_100011214892 [0,1,0,0,0,1|2,0,0]=4 5246 B14R1.4898 CC(O)CCCN1CCCNC(=O)C1 2230a_100015190381_200000718107 [0,1,0,0,0,1|2,0,0]=4 5247 B14R1.7341 CCCC(C)CN1CCCNC(=O)C1 2230a_100015190381_100011216630 [0,1,0,0,0,1|2,0,0]=4 5248 B14R1.7341 CCCC(C)CN1CCCNC(=O)C1 270004a_100015190381_100000243154 [0,1,0,0,0,1|2,0,0]=4 5249 B14R1.9 CCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210211 [0,2,0,0,0,0|1,0,0]=3 5250 B14R1.9 CCCCNCC1CCCC(=O)N1C 34a_200010383782_100000210210 [0,2,0,0,0,0|1,0,0]=3 5251 B14R1.9 CN1C(=O)CCCC1CNCCCF 2230a_200010383782_100011934791 [0,2,0,0,0,0|2,0,0]=4 5252 B14R1.9 CN1C(=O)CCCC1CNCCCF 34a_200010383782_100011934791 [0,2,0,0,0,0|2,0,0]=4 5253 B14R1.9 CN1C(=O)CCCC1CNCCCO 2230a_200010383782_100000230001 [0,2,0,0,0,0|2,0,0]=4 5254 B14R1.9 CN1C(=O)CCCC1CNCCCO 34a_200010383782_100000230001 [0,2,0,0,0,0|2,0,0]=4 5255 B14R1.9 COCCNCC1CCCC(=O)N1C 2230a_200010383782_100011201679 [0,2,0,0,0,0|2,0,0]=4 5256 B14R1.9 COCCNCC1CCCC(=O)N1C 34a_200010383782_100011201679 [0,2,0,0,0,0|2,0,0]=4 5257 B14R1.9 CSCCNCC1CCCC(=O)N1C 2230a_200010383782_100000751147 [0,2,0,0,0,0|2,0,0]=4 5258 B14R1.9 CSCCNCC1CCCC(=O)N1C 34a_200010383782_100000212216 [0,2,0,0,0,0|2,0,0]=4 5259 B14R1.20 CCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210326 [0,2,0,0,0,0|2,0,0]=4 5260 B14R1.20 CCCCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210326 [0,2,0,0,0,0|2,0,0]=4 5261 B14R1.20 CCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210326 [0,2,0,0,0,0|1,0,0]=3 5262 B14R1.20 CCCCNC(=O)[C@H]1CCCC(=O)N1 240690a_100000102301_100000705292 [0,2,0,0,0,0|1,0,1]=4 5263 B14R1.20 CCCCNC(=O)[C@H]1CCCC(=O)N1 527a_100000102301_100000705292 [0,2,0,0,0,0|1,0,1]=4 5264 B14R1.20 CCOCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100011215890 [0,2,0,0,0,0|1,0,1]=4 5265 B14R1.20 CCSCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000757381 [0,2,0,0,0,0|1,0,1]=4 5266 B14R1.20 COCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000740836 [0,2,0,0,0,0|1,0,1]=4 5267 B14R1.20 O=C1CCC[C@@H](N1)C(=O)CCCCF 1458a_100000705292_100000729493 [0,2,0,0,0,0|1,0,1]=4 5268 B14R1.20 O=C1CCC[C@@H](N1)C(=O)CCCCO 1458a_100000705292_100000210776 [0,2,0,0,0,0|1,0,1]=4 5269 B14R1.26 C#CCCCCOC1CCCC(=O)C1 34a_100012613340_100010269958 [0,2,0,0,0,0|1,0,1]=4 5270 B14R1.26 C#CCCCOCC1CCCC(=O)N1 34a_200000102386_100000695029 [0,2,0,0,0,0|1,0,1]=4 5271 B14R1.26 C=CCCCCOC1CCCC(=O)C1 34a_100012613340_100011215482 [0,2,0,0,0,0|1,0,1]=4 5272 B14R1.26 C=CCCCOCC1CCCC(=O)N1 34a_200000102386_100000757094 [0,2,0,0,0,0|1,0,1]=4 5273 B14R1.26 CC/C=C\CCOC1CCCC(=O)C1 34a_100012613340_100015370543 [0,2,0,0,0,0|1,0,1]=4 5274 B14R1.26 CC/C=C\COCC1CCCC(=O)N1 34a_200000102386_100103147603 [0,2,0,0,0,0|1,0,1]=4 5275 B14R1.26 CC1=CC(CCC1)OCCCCCF 34a_100011218613_100000729378 [0,2,0,0,0,0|2,0,0]=4 5276 B14R1.26 CC1=CC(CCC1)OCCCCCO 34a_100011218613_100000746330 [0,2,0,0,0,0|2,0,0]=4 5277 B14R1.26 CCC#CCOCC1CCCC(=O)N1 34a_200000102386_100009813939 [0,2,0,0,0,0|1,0,1]=4 5278 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,2,0,0,0,0|2,0,0]=4 5279 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,2,0,0,0,0|2,0,0]=4 5280 B14R1.26 CCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210314 [0,2,0,0,0,0|2,0,0]=4 5281 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,2,0,0,0,0|1,0,0]=3 5282 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,2,0,0,0,0|2,0,0]=4 5283 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,2,0,0,0,0|1,0,0]=3 5284 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,2,0,0,0,0|2,0,0]=4 5285 B14R1.26 CCCCCOCC1COCC(=O)N1 34a_200000101122_100000718602 [0,2,0,0,0,0|2,0,0]=4 5286 B14R1.26 CCCCOCNC1CCNC(=O)C1 2230a_100016994916_100011995733 [0,2,0,0,0,0|2,0,0]=4 5287 B14R1.26 CCCCOCNC1CCNC(=O)C1 34a_100016994916_100011995733 [0,2,0,0,0,0|2,0,0]=4 5288 B14R1.26 CCCCOCOC1C=C(CCC1)C 34a_100011218613_100011995733 [0,2,0,0,0,0|2,0,0]=4 5289 B14R1.26 CCCCOCOC1CCCC(=O)C1 34a_100012613340_100011995733 [0,2,0,0,0,0|1,0,0]=3 5290 B14R1.26 CCCCOCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011995733 [0,2,0,0,0,0|2,0,0]=4 5291 B14R1.26 CCCOCCNC1CCNC(=O)C1 2230a_100016994916_100011215938 [0,2,0,0,0,0|2,0,0]=4 5292 B14R1.26 CCCOCCNC1CCNC(=O)C1 34a_100016994916_100011215938 [0,2,0,0,0,0|2,0,0]=4 5293 B14R1.26 CCCOCCOC1C=C(CCC1)C 34a_100011218613_100011215938 [0,2,0,0,0,0|2,0,0]=4 5294 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,2,0,0,0,0|1,0,0]=3 5295 B14R1.26 CCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011215938 [0,2,0,0,0,0|2,0,0]=4 5296 B14R1.26 CCOCCCNC1CCNC(=O)C1 2230a_100016994916_100012232248 [0,2,0,0,0,0|2,0,0]=4 5297 B14R1.26 CCOCCCNC1CCNC(=O)C1 34a_100016994916_100012232248 [0,2,0,0,0,0|2,0,0]=4 5298 B14R1.26 CCOCCCOC1C=C(CCC1)C 34a_100011218613_100012232248 [0,2,0,0,0,0|2,0,0]=4 5299 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,2,0,0,0,0|1,0,0]=3 5300 B14R1.26 CCOCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012232248 [0,2,0,0,0,0|2,0,0]=4 5301 B14R1.26 CCOCCOCC1CCCC(=O)N1 34a_200000102386_100000210147 [0,2,0,0,0,0|1,0,0]=3 5302 B14R1.26 CCOCCOCC1CCNC(=O)C1 34a_100009886756_100000210147 [0,2,0,0,0,0|2,0,0]=4 5303 B14R1.26 CCOCCOCC1COCC(=O)N1 34a_200000101122_100000210147 [0,2,0,0,0,0|2,0,0]=4 5304 B14R1.26 CCSCCOCC1CCCC(=O)N1 34a_200000102386_100000757381 [0,2,0,0,0,0|1,0,0]=3 5305 B14R1.26 CCSCCOCC1CCNC(=O)C1 34a_100009886756_100000757381 [0,2,0,0,0,0|2,0,0]=4 5306 B14R1.26 CCSCCOCC1COCC(=O)N1 34a_200000101122_100000757381 [0,2,0,0,0,0|2,0,0]=4 5307 B14R1.26 COCCCCNC1CCNC(=O)C1 2230a_100016994916_100000730899 [0,2,0,0,0,0|2,0,0]=4 5308 B14R1.26 COCCCCNC1CCNC(=O)C1 34a_100016994916_100000755781 [0,2,0,0,0,0|2,0,0]=4 5309 B14R1.26 COCCCCOC1C=C(CCC1)C 34a_100011218613_100000755781 [0,2,0,0,0,0|2,0,0]=4 5310 B14R1.26 COCCCCOC1CCCC(=O)C1 34a_100012613340_100000755781 [0,2,0,0,0,0|1,0,0]=3 5311 B14R1.26 COCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000755781 [0,2,0,0,0,0|2,0,0]=4 5312 B14R1.26 COCCCOCC1CCCC(=O)N1 34a_200000102386_100000740836 [0,2,0,0,0,0|1,0,0]=3 5313 B14R1.26 COCCCOCC1CCNC(=O)C1 34a_100009886756_100000740836 [0,2,0,0,0,0|2,0,0]=4 5314 B14R1.26 COCCCOCC1COCC(=O)N1 34a_200000101122_100000740836 [0,2,0,0,0,0|2,0,0]=4 5315 B14R1.26 O=C1CC(CCN1)COCCCCF 34a_100009886756_100000729493 [0,2,0,0,0,0|2,0,0]=4 5316 B14R1.26 O=C1CC(CCN1)COCCCCO 34a_100009886756_100011216708 [0,2,0,0,0,0|2,0,0]=4 5317 B14R1.26 O=C1CC(CCN1)NCCCCCF 2230a_100016994916_100000729378 [0,2,0,0,0,0|2,0,0]=4 5318 B14R1.26 O=C1CC(CCN1)NCCCCCF 34a_100016994916_100000729378 [0,2,0,0,0,0|2,0,0]=4 5319 B14R1.26 O=C1CC(CCN1)NCCCCCO 2230a_100016994916_100000746330 [0,2,0,0,0,0|2,0,0]=4 5320 B14R1.26 O=C1CC(CCN1)NCCCCCO 34a_100016994916_100000746330 [0,2,0,0,0,0|2,0,0]=4 5321 B14R1.26 O=C1CCCC(C1)OCCCCCF 34a_100012613340_100000729378 [0,2,0,0,0,0|1,0,0]=3 5322 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [0,2,0,0,0,0|1,0,0]=3 5323 B14R1.26 O=C1CCCC(C1)OCCOCCO 34a_100012613340_100000692535 [0,2,0,0,0,0|2,0,0]=4 5324 B14R1.26 O=C1CCCC(N1)COCCCCF 34a_200000102386_100000729493 [0,2,0,0,0,0|1,0,0]=3 5325 B14R1.26 O=C1CCCC(N1)COCCCCO 34a_200000102386_100011216708 [0,2,0,0,0,0|1,0,0]=3 5326 B14R1.26 O=C1COCC(N1)COCCCCF 34a_200000101122_100000729493 [0,2,0,0,0,0|2,0,0]=4 5327 B14R1.26 O=C1COCC(N1)COCCCCO 34a_200000101122_100011216708 [0,2,0,0,0,0|2,0,0]=4 5328 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCF 34a_100015189427_100000729378 [0,2,0,0,0,0|2,0,0]=4 5329 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCO 34a_100015189427_100000746330 [0,2,0,0,0,0|2,0,0]=4 5330 B14R1.32 CC(CCO)OCC1CCCC(=O)N1 34a_200000102386_100009893172 [0,2,0,0,0,0|2,0,0]=4 5331 B14R1.32 CCCC(C)CNC1CCNC(=O)C1 2230a_100016994916_100011216630 [0,2,0,0,0,0|2,0,0]=4 5332 B14R1.32 CCCC(C)CNC1CCNC(=O)C1 34a_100016994916_100011216630 [0,2,0,0,0,0|2,0,0]=4 5333 B14R1.32 CCCC(C)COC1C=C(CCC1)C 34a_100011218613_100011216630 [0,2,0,0,0,0|2,0,0]=4 5334 B14R1.32 CCCC(C)COC1CCCC(=O)C1 34a_100012613340_100011216630 [0,2,0,0,0,0|1,0,0]=3 5335 B14R1.32 CCCC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100011216630 [0,2,0,0,0,0|2,0,0]=4 5336 B14R1.32 CCCC(C)OCC1CCCC(=O)N1 34a_200000102386_100000766640 [0,2,0,0,0,0|1,0,0]=3 5337 B14R1.32 CCCC(C)OCC1CCNC(=O)C1 34a_100009886756_100000766640 [0,2,0,0,0,0|2,0,0]=4 5338 B14R1.32 CCCC(C)OCC1COCC(=O)N1 34a_200000101122_100000766640 [0,2,0,0,0,0|2,0,0]=4 5339 B14R1.32 COCC(C)OCC1CCCC(=O)N1 34a_200000102386_100000765312 [0,2,0,0,0,0|2,0,0]=4 5340 B14R1.32 COCC(O)COC1CCCC(=O)C1 34a_100012613340_100011215053 [0,2,0,0,0,0|2,0,0]=4 5341 B14R1.34 CCCCC(C)NC1CCNC(=O)C1 2230a_100016994916_200011215066 [0,2,0,0,0,0|2,0,0]=4 5342 B14R1.34 CCCCC(C)NC1CCNC(=O)C1 34a_100016994916_200011215066 [0,2,0,0,0,0|2,0,0]=4 5343 B14R1.34 CCCCC(C)OC1C=C(CCC1)C 34a_100011218613_200011215066 [0,2,0,0,0,0|2,0,0]=4 5344 B14R1.34 CCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011215066 [0,2,0,0,0,0|1,0,0]=3 5345 B14R1.34 CCCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_200011215066 [0,2,0,0,0,0|2,0,0]=4 5346 B14R1.148 C=C(C)CCOCC1CCCC(=O)N1 34a_200000102386_100000730704 [0,2,0,0,0,0|1,0,1]=4 5347 B14R1.148 CC(=O)CCCOC1CCCC(=O)C1 34a_100012613340_100000685027 [0,2,0,0,0,0|1,0,1]=4 5348 B14R1.148 CC(C)CCCNC1CCNC(=O)C1 2230a_100016994916_100011214892 [0,2,0,0,0,0|2,0,0]=4 5349 B14R1.148 CC(C)CCCNC1CCNC(=O)C1 34a_100016994916_100011214892 [0,2,0,0,0,0|2,0,0]=4 5350 B14R1.148 CC(C)CCCOC1CCCC(=O)C1 34a_100012613340_100011214892 [0,2,0,0,0,0|1,0,0]=3 5351 B14R1.148 CC(C)CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011214892 [0,2,0,0,0,0|2,0,0]=4 5352 B14R1.148 CC(C)CCOCC1CCCC(=O)N1 34a_200000102386_100000210312 [0,2,0,0,0,0|1,0,0]=3 5353 B14R1.148 CC(C)CCOCC1CCNC(=O)C1 34a_100009886756_100000210312 [0,2,0,0,0,0|2,0,0]=4 5354 B14R1.148 CC(C)CCOCC1COCC(=O)N1 34a_200000101122_100000210312 [0,2,0,0,0,0|2,0,0]=4 5355 B14R1.148 CC(C)OCCOC1CCCC(=O)C1 34a_100012613340_100000211751 [0,2,0,0,0,0|2,0,0]=4 5356 B14R1.148 CC(C)OCOCC1CCCC(=O)N1 34a_200000102386_100000709892 [0,2,0,0,0,0|2,0,0]=4 5357 B14R1.148 CC(C)SCCOC1CCCC(=O)C1 34a_100012613340_100000730970 [0,2,0,0,0,0|2,0,0]=4 5358 B14R1.148 CC(O)CCCNC1CCNC(=O)C1 2230a_100016994916_200000718107 [0,2,0,0,0,0|2,0,0]=4 5359 B14R1.148 CC(O)CCCNC1CCNC(=O)C1 34a_100016994916_200000718107 [0,2,0,0,0,0|2,0,0]=4 5360 B14R1.148 CC(O)CCCOC1CCCC(=O)C1 34a_100012613340_200000718107 [0,2,0,0,0,0|1,0,0]=3 5361 B14R1.148 CC(O)CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_200000718107 [0,2,0,0,0,0|2,0,0]=4 5362 B14R1.148 CC(O)CCOCC1CCCC(=O)N1 34a_200000102386_100012276601 [0,2,0,0,0,0|1,0,0]=3 5363 B14R1.148 CC(O)CCOCC1CCNC(=O)C1 34a_100009886756_100012276601 [0,2,0,0,0,0|2,0,0]=4 5364 B14R1.148 CC(O)CCOCC1COCC(=O)N1 34a_200000101122_100012276601 [0,2,0,0,0,0|2,0,0]=4 5365 B14R1.148 CC1=CC(CCC1)OCCCC(C)C 34a_100011218613_100011214892 [0,2,0,0,0,0|2,0,0]=4 5366 B14R1.148 CC1=CC(CCC1)OCCCC(C)O 34a_100011218613_200000718107 [0,2,0,0,0,0|2,0,0]=4 5367 B14R1.232 CCCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210326 [0,2,0,0,0,0|2,0,0]=4 5368 B14R1.232 CCCCCNC1CCN(C(=O)C1)C 34a_100000126938_100000718602 [0,2,0,0,0,0|2,0,0]=4 5369 B14R1.1025 CCC(C)COCC1CCCC(=O)N1 34a_200000102386_100000748023 [0,2,0,0,0,0|1,0,0]=3 5370 B14R1.1025 CCC(C)COCC1CCNC(=O)C1 34a_100009886756_100000748023 [0,2,0,0,0,0|2,0,0]=4 5371 B14R1.1025 CCC(C)COCC1COCC(=O)N1 34a_200000101122_100000748023 [0,2,0,0,0,0|2,0,0]=4 5372 B14R1.1025 CCC(O)COCC1CCCC(=O)N1 34a_200000102386_100011218378 [0,2,0,0,0,0|1,0,0]=3 5373 B14R1.1025 CCC(O)COCC1CCNC(=O)C1 34a_100009886756_100011218378 [0,2,0,0,0,0|2,0,0]=4 5374 B14R1.1025 CCC(O)COCC1COCC(=O)N1 34a_200000101122_100011218378 [0,2,0,0,0,0|2,0,0]=4 5375 B14R1.1025 CC[C@H](C)COCC1CCCC(=O)N1 34a_200000102386_100009816398 [0,2,0,0,0,0|1,0,0]=3 5376 B14R1.1025 CC[C@H](C)COCC1CCNC(=O)C1 34a_100009886756_100009816398 [0,2,0,0,0,0|2,0,0]=4 5377 B14R1.1025 CC[C@H](C)COCC1COCC(=O)N1 34a_200000101122_100009816398 [0,2,0,0,0,0|2,0,0]=4 5378 B14R1.1025 C[C@@H](CO)COCC1CCCC(=O)N1 34a_200000102386_100000059175 [0,2,0,0,0,0|2,0,0]=4 5379 B14R1.1025 O=C1CCCC(N1)COCC(O)CO 34a_200000102386_100011219619 [0,2,0,0,0,0|2,0,0]=4 5380 B14R1.1025 O=C1CCCC(N1)COC[C@@H](O)CF 34a_200000102386_100015614560 [0,2,0,0,0,0|2,0,0]=4 5381 B14R1.1025 O=C1CCCC(N1)COC[C@@H](O)CO 34a_200000102386_100009815848 [0,2,0,0,0,0|2,0,0]=4 5382 B14R1.11 CCC(C)CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000748023 [0,2,0,0,0,0|1,0,1]=4 5383 B14R1.11 CCC(O)CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100011218378 [0,2,0,0,0,0|1,0,1]=4 5384 B14R1.11 CC[C@H](C)CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100009816398 [0,2,0,0,0,0|1,0,1]=4 5385 B14R1.15 CCC(C)NCC1CCCC(=O)N1C 2230a_200010383782_100000758301 [0,2,0,0,0,0|2,0,0]=4 5386 B14R1.15 CCC(C)NCC1CCCC(=O)N1C 34a_200010383782_100011215416 [0,2,0,0,0,0|2,0,0]=4 5387 B14R1.547 CCC(CC)COC1CCCC(=O)C1 34a_100012613340_100011215472 [0,2,0,0,0,0|2,0,0]=4 5388 B14R1.154 CC(C)CNCC1CCCC(=O)N1C 2230a_200010383782_100000210760 [0,2,0,0,0,0|2,0,0]=4 5389 B14R1.154 CC(C)CNCC1CCCC(=O)N1C 270004a_200010383782_100000210432 [0,2,0,0,0,0|2,0,0]=4 5390 B14R1.154 CC(C)CNCC1CCCC(=O)N1C 34a_200010383782_100000210624 [0,2,0,0,0,0|2,0,0]=4 5391 B14R1.154 CC(O)CNCC1CCCC(=O)N1C 2230a_200010383782_100011218427 [0,2,0,0,0,0|2,0,0]=4 5392 B14R1.154 CC(O)CNCC1CCCC(=O)N1C 34a_200010383782_100011218427 [0,2,0,0,0,0|2,0,0]=4 5393 B14R1.154 C[C@@H](O)CNCC1CCCC(=O)N1C 2230a_200010383782_100009817552 [0,2,0,0,0,0|2,0,0]=4 5394 B14R1.154 C[C@@H](O)CNCC1CCCC(=O)N1C 34a_200010383782_100009817552 [0,2,0,0,0,0|2,0,0]=4 5395 B14R1.36 CCCC(C)C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000766640 [0,2,0,0,0,0|1,0,1]=4 5396 B14R1.149 CC(C)CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210312 [0,2,0,0,0,0|1,0,1]=4 5397 B14R1.149 CC(O)CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100012276601 [0,2,0,0,0,0|1,0,1]=4 5398 B14R1.5978 CC(C)CC(C)OC1CCCC(=O)C1 34a_100012613340_100000731052 [0,2,0,0,0,0|2,0,0]=4 5399 B14R1.147 CC(C)(C)CCOC1CCCC(=O)C1 34a_100012613340_100000755188 [0,2,0,0,0,0|2,0,0]=4 5400 B14R1.147 CC(C)(C)COCC1CCCC(=O)N1 34a_200000102386_100011219605 [0,2,0,0,0,0|2,0,0]=4 5401 B14R1.147 CC(C)(F)COCC1CCCC(=O)N1 34a_200000102386_100011997219 [0,2,0,0,0,0|2,0,0]=4 5402 B14R1.147 CC(C)(O)CCOC1CCCC(=O)C1 34a_100012613340_100000702414 [0,2,0,0,0,0|2,0,0]=4 5403 B14R1.147 CC(C)(O)COCC1CCCC(=O)N1 34a_200000102386_100000764493 [0,2,0,0,0,0|2,0,0]=4 5404 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [0,0,1,1,0,0|1,0,1]=4 5405 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [0,0,1,1,0,0|1,0,1]=4 5406 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [0,0,1,1,0,0|1,0,1]=4 5407 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [0,0,1,1,0,0|1,0,1]=4 5408 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,0,1,1,0,0|0,0,2]=4 5409 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,0,1,1,0,0|1,0,0]=3 5410 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,0,1,1,0,0|1,0,0]=3 5411 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,0,1,1,0,0|2,0,0]=4 5412 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000211992_100000004467 [0,0,1,1,0,0|2,0,0]=4 5413 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000738983_100000210303 [0,0,1,1,0,0|2,0,0]=4 5414 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [0,0,1,1,0,0|2,0,0]=4 5415 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [0,0,1,1,0,0|2,0,0]=4 5416 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [0,0,1,1,0,0|2,0,0]=4 5417 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [0,0,1,1,0,0|2,0,0]=4 5418 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [0,0,1,1,0,0|2,0,0]=4 5419 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [0,0,1,1,0,0|1,0,0]=3 5420 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [0,0,1,1,0,0|1,0,0]=3 5421 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [0,0,1,1,0,0|1,0,0]=3 5422 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [0,0,1,1,0,0|1,0,0]=3 5423 B12R1.51 CCCC(=O)NCC1CCOC1 11a_100000737293_100000211992 [0,0,1,1,0,0|2,0,0]=4 5424 B12R1.51 CCCC(=O)NCC1CCOC1 1626a_100000737293_100000211992 [0,0,1,1,0,0|2,0,0]=4 5425 B12R1.51 CCCC(=O)NCC1CCOC1 240690a_100000737293_100000211992 [0,0,1,1,0,0|2,0,0]=4 5426 B12R1.51 CCCC(=O)NCC1CCOC1 527a_100000737293_100000211992 [0,0,1,1,0,0|2,0,0]=4 5427 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [0,0,1,1,0,0|2,0,0]=4 5428 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [0,0,1,1,0,0|2,0,0]=4 5429 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [0,0,1,1,0,0|2,0,0]=4 5430 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [0,0,1,1,0,0|2,0,0]=4 5431 B12R1.51 CCCC(=O)NNC1CCCC1 22a_100000737850_100000211992 [0,0,1,1,0,0|2,0,0]=4 5432 B12R1.51 CCCC(=O)OCN1CCCC1 2230a_100000188435_100000034017 [0,0,1,1,0,0|1,0,0]=3 5433 B12R1.51 CCCC(=O)OCN1CCCC1 269982a_100000188435_100000034017 [0,0,1,1,0,0|1,0,0]=3 5434 B12R1.51 CCCC(=O)OCN1CCSC1 2230a_100011215254_100000034017 [0,0,1,1,0,0|2,0,0]=4 5435 B12R1.51 CCCC(=O)OCN1CCSC1 269982a_100011215254_100000034017 [0,0,1,1,0,0|2,0,0]=4 5436 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000742336_100000766640 [0,0,1,1,0,0|1,0,1]=4 5437 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000764384_100000740388 [0,0,1,1,0,0|1,0,1]=4 5438 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000742336_100000766640 [0,0,1,1,0,0|1,0,1]=4 5439 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000764384_100000740388 [0,0,1,1,0,0|1,0,1]=4 5440 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,0,1,1,0,0|2,0,0]=4 5441 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,0,1,1,0,0|2,0,0]=4 5442 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,0,1,1,0,0|2,0,0]=4 5443 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [0,0,1,1,0,0|2,0,0]=4 5444 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [0,0,1,1,0,0|2,0,0]=4 5445 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [0,0,1,1,0,0|2,0,0]=4 5446 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [0,0,1,1,0,0|2,0,0]=4 5447 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [0,0,1,1,0,0|2,0,0]=4 5448 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [0,0,1,1,0,0|2,0,0]=4 5449 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [0,0,1,1,0,0|2,0,0]=4 5450 B12R1.51 COCC(=O)NCC1CCCC1 11a_100000737975_100000210968 [0,0,1,1,0,0|2,0,0]=4 5451 B12R1.51 COCC(=O)NCC1CCCC1 1626a_100000737975_100000210968 [0,0,1,1,0,0|2,0,0]=4 5452 B12R1.51 COCC(=O)NCC1CCCC1 240690a_100000737975_100000210968 [0,0,1,1,0,0|2,0,0]=4 5453 B12R1.51 COCC(=O)NCC1CCCC1 527a_100000737975_100000210968 [0,0,1,1,0,0|2,0,0]=4 5454 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [0,0,1,1,0,0|2,0,0]=4 5455 B12R1.51 CSCC(=O)NCC1CCCC1 11a_100000737975_100000184570 [0,0,1,1,0,0|2,0,0]=4 5456 B12R1.51 CSCC(=O)NCC1CCCC1 1626a_100000737975_100000184570 [0,0,1,1,0,0|2,0,0]=4 5457 B12R1.51 CSCC(=O)NCC1CCCC1 240690a_100000737975_100000184570 [0,0,1,1,0,0|2,0,0]=4 5458 B12R1.51 CSCC(=O)NCC1CCCC1 527a_100000737975_100000184570 [0,0,1,1,0,0|2,0,0]=4 5459 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [0,0,1,1,0,0|2,0,0]=4 5460 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [0,0,1,1,0,0|2,0,0]=4 5461 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [0,0,1,1,0,0|2,0,0]=4 5462 B12R1.51 O=C(CCO)NCC1CCCC1 240690a_100000737975_100011216618 [0,0,1,1,0,0|2,0,0]=4 5463 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [0,0,1,1,0,0|2,0,0]=4 5464 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [0,0,1,1,0,0|2,0,0]=4 5465 B12R1.308 CC1CCCCN1C(=O)CCO 240690a_100000211376_100011216618 [0,0,1,1,0,0|2,0,0]=4 5466 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_100000182743_200025704644 [0,0,1,1,0,0|2,0,0]=4 5467 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000182743 [0,0,1,1,0,0|2,0,0]=4 5468 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,0,1,1,0,0|1,0,0]=3 5469 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [0,0,1,1,0,0|2,0,0]=4 5470 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [0,0,1,1,0,0|1,0,0]=3 5471 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [0,0,1,1,0,0|1,0,0]=3 5472 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [0,0,1,1,0,0|1,0,0]=3 5473 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [0,0,1,1,0,0|1,0,0]=3 5474 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000211992 [0,0,1,1,0,0|2,0,0]=4 5475 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000211992 [0,0,1,1,0,0|2,0,0]=4 5476 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000211992 [0,0,1,1,0,0|2,0,0]=4 5477 B12R1.308 CCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210303 [0,0,1,1,0,0|2,0,0]=4 5478 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [0,0,1,1,0,0|2,0,0]=4 5479 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [0,0,1,1,0,0|2,0,0]=4 5480 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [0,0,1,1,0,0|2,0,0]=4 5481 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [0,0,1,1,0,0|2,0,0]=4 5482 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [0,0,1,1,0,0|2,0,0]=4 5483 B12R1.308 CNCC(=O)N1CCCCC1C 2230a_106832991635_100000182743 [0,0,1,1,0,0|2,0,0]=4 5484 B12R1.308 CNCC(=O)N1CCCCC1C 34a_100102657272_100000182743 [0,0,1,1,0,0|2,0,0]=4 5485 B12R1.308 CNCC(=O)N1CCCCC1C 7a_106832991635_100000182743 [0,0,1,1,0,0|2,0,0]=4 5486 B12R1.308 COCC(=O)N1CCCCC1C 11a_100000211376_100000210968 [0,0,1,1,0,0|2,0,0]=4 5487 B12R1.308 COCC(=O)N1CCCCC1C 1626a_100000211376_100000210968 [0,0,1,1,0,0|2,0,0]=4 5488 B12R1.308 COCC(=O)N1CCCCC1C 240690a_100000211376_100000210968 [0,0,1,1,0,0|2,0,0]=4 5489 B12R1.308 COCC(=O)N1CCCCC1C 34a_100138415774_100000182743 [0,0,1,1,0,0|2,0,0]=4 5490 B12R1.308 COCC(=O)N1CCCCC1C 527a_100000211376_100000210968 [0,0,1,1,0,0|2,0,0]=4 5491 B12R1.308 CSCC(=O)N1CCCCC1C 11a_100000211376_100000184570 [0,0,1,1,0,0|2,0,0]=4 5492 B12R1.308 CSCC(=O)N1CCCCC1C 1626a_100000211376_100000184570 [0,0,1,1,0,0|2,0,0]=4 5493 B12R1.308 CSCC(=O)N1CCCCC1C 240690a_100000211376_100000184570 [0,0,1,1,0,0|2,0,0]=4 5494 B12R1.308 CSCC(=O)N1CCCCC1C 527a_100000211376_100000184570 [0,0,1,1,0,0|2,0,0]=4 5495 B12R1.308 CSCC(=O)N1CCCCC1C 62a_100000182743_200000210301 [0,0,1,1,0,0|2,0,0]=4 5496 B12R1.308 CSCC(=O)N1CCCCC1C 62a_200000210301_100000182743 [0,0,1,1,0,0|2,0,0]=4 5497 B12R1.310 CCCC(=O)COCCC1CC1 7a_100000754188_100000747444 [0,0,1,1,0,0|2,0,0]=4 5498 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000747444_100000764125 [0,0,1,1,0,0|2,0,0]=4 5499 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000764125_100000747444 [0,0,1,1,0,0|2,0,0]=4 5500 B12R1.310 CCCC(=O)OCNCC1CC1 2230a_100000735609_100000034017 [0,0,1,1,0,0|1,0,0]=3 5501 B12R1.310 CCCC(=O)OCNCC1CC1 34a_100000735609_100000034017 [0,0,1,1,0,0|1,0,0]=3 5502 B12R1.310 CCCC(=O)OCOCC1CC1 34a_100000211283_100000034017 [0,0,1,1,0,0|1,0,0]=3 5503 B12R1.310 CCCC(=O)OCOC[C@@H]1CO1 34a_100000757423_100000034017 [0,0,1,1,0,0|2,0,0]=4 5504 B12R1.310 CCCC(=O)OCSCC1CC1 62a_100000756562_100000034017 [0,0,1,1,0,0|1,0,0]=3 5505 B12R1.310 CCCC(=O)OCSCC1CO1 62a_102125554688_100000034017 [0,0,1,1,0,0|2,0,0]=4 5506 B12R1.310 CCCC(=O)OCSCC1CS1 62a_100000031435_100000034017 [0,0,1,1,0,0|2,0,0]=4 5507 B12R1.310 CCCC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000034017 [0,0,1,1,0,0|2,0,0]=4 5508 B12R1.310 CCOC(=O)OCSCC1CC1 62a_100000756562_100000075025 [0,0,1,1,0,0|2,0,0]=4 5509 B12R1.311 CCCC(=O)OCN1CCC1C 269982a_100000755817_100000034017 [0,0,1,1,0,0|1,0,0]=3 5510 B12R1.311 CCCC(=O)OCN1CCC1C 34a_100000755817_100000034017 [0,0,1,1,0,0|1,0,0]=3 5511 B12R1.315 CCCC(=O)CNCC1CCC1 2230a_100000738700_100000747444 [0,0,1,1,0,0|2,0,0]=4 5512 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000747444_100000763275 [0,0,1,1,0,0|2,0,0]=4 5513 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000763275_100000747444 [0,0,1,1,0,0|2,0,0]=4 5514 B12R1.315 CCCC(=O)NCCN1CCC1 240690a_100000691440_100000211992 [0,0,1,1,0,0|2,0,0]=4 5515 B12R1.315 CCCC(=O)NNCC1CCC1 22a_200020586977_100000211992 [0,0,1,1,0,0|2,0,0]=4 5516 B12R1.315 CCCC(=O)OCNC1CCC1 2230a_100000749019_100000034017 [0,0,1,1,0,0|1,0,0]=3 5517 B12R1.315 CCCC(=O)OCNC1CCC1 34a_100000749019_100000034017 [0,0,1,1,0,0|1,0,0]=3 5518 B12R1.315 CCCC(=O)OCNC1COC1 2230a_100016991112_100000034017 [0,0,1,1,0,0|2,0,0]=4 5519 B12R1.315 CCCC(=O)OCOC1CCC1 34a_100000748187_100000034017 [0,0,1,1,0,0|1,0,0]=3 5520 B12R1.316 CCC1CCCN1C(=O)CCO 240690a_100000754278_100011216618 [0,0,1,1,0,0|2,0,0]=4 5521 B12R1.316 CCC1CCCN1C(=O)COC 11a_100000754278_100000210968 [0,0,1,1,0,0|2,0,0]=4 5522 B12R1.316 CCC1CCCN1C(=O)COC 1626a_100000754278_100000210968 [0,0,1,1,0,0|2,0,0]=4 5523 B12R1.316 CCC1CCCN1C(=O)COC 240690a_100000754278_100000210968 [0,0,1,1,0,0|2,0,0]=4 5524 B12R1.316 CCC1CCCN1C(=O)COC 527a_100000754278_100000210968 [0,0,1,1,0,0|2,0,0]=4 5525 B12R1.316 CCC1CCCN1C(=O)CSC 11a_100000754278_100000184570 [0,0,1,1,0,0|2,0,0]=4 5526 B12R1.316 CCC1CCCN1C(=O)CSC 1626a_100000754278_100000184570 [0,0,1,1,0,0|2,0,0]=4 5527 B12R1.316 CCC1CCCN1C(=O)CSC 240690a_100000754278_100000184570 [0,0,1,1,0,0|2,0,0]=4 5528 B12R1.316 CCC1CCCN1C(=O)CSC 527a_100000754278_100000184570 [0,0,1,1,0,0|2,0,0]=4 5529 B12R1.316 CCCC(=O)C1CCCN1CC 1458a_106256033941_100000210303 [0,0,1,1,0,0|2,0,0]=4 5530 B12R1.316 CCCC(=O)N1CCCC1CC 11a_100000754278_100000211992 [0,0,1,1,0,0|1,0,0]=3 5531 B12R1.316 CCCC(=O)N1CCCC1CC 1626a_100000754278_100000211992 [0,0,1,1,0,0|1,0,0]=3 5532 B12R1.316 CCCC(=O)N1CCCC1CC 240690a_100000754278_100000211992 [0,0,1,1,0,0|1,0,0]=3 5533 B12R1.316 CCCC(=O)N1CCCC1CC 527a_100000754278_100000211992 [0,0,1,1,0,0|1,0,0]=3 5534 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000211992 [0,0,1,1,0,0|2,0,0]=4 5535 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000211992 [0,0,1,1,0,0|2,0,0]=4 5536 B12R1.316 CCNC(=O)N1CCCC1CC 2708a_100015525214_100000754278 [0,0,1,1,0,0|2,0,0]=4 5537 B12R1.316 CCNC(=O)N1CCCC1CC 273464a_100015525214_100000754278 [0,0,1,1,0,0|2,0,0]=4 5538 B12R1.535 CCCC(=O)N1CCC1COC 11a_100015195929_100000211992 [0,0,1,1,0,0|2,0,0]=4 5539 B12R1.535 CCCC(=O)N1CCC1COC 1626a_100015195929_100000211992 [0,0,1,1,0,0|2,0,0]=4 5540 B12R1.535 CCCC(=O)N1CCC1COC 240690a_100015195929_100000211992 [0,0,1,1,0,0|2,0,0]=4 5541 B12R1.535 CCCC(=O)N1CCC1COC 527a_100015195929_100000211992 [0,0,1,1,0,0|2,0,0]=4 5542 B12R1.542 CCCN1CCNC(=O)C1CC 2230a_100000187962_100000210303 [0,0,1,1,0,0|2,0,0]=4 5543 B12R1.542 CCCN1CCNC(=O)C1CC 269982a_100000187962_100000210303 [0,0,1,1,0,0|2,0,0]=4 5544 B12R1.542 CCCN1CCNC(=O)C1CC 34a_100000187962_100000210303 [0,0,1,1,0,0|2,0,0]=4 5545 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,0,1,1,0,0|1,0,0]=3 5546 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [0,0,1,1,0,0|2,0,0]=4 5547 B12R1.923 CCCCCCNC(=O)C1CC1 11a_100000210581_100000210395 [0,0,1,1,0,0|1,0,0]=3 5548 B12R1.923 CCCCCCNC(=O)C1CC1 1626a_100000210581_100000210395 [0,0,1,1,0,0|1,0,0]=3 5549 B12R1.923 CCCCCCNC(=O)C1CC1 240690a_100000210581_100000210395 [0,0,1,1,0,0|1,0,0]=3 5550 B12R1.923 CCCCCCNC(=O)C1CC1 527a_100000210581_100000210395 [0,0,1,1,0,0|1,0,0]=3 5551 B12R1.923 CCCCCCNC(=O)C1CO1 11a_100000210581_100000701028 [0,0,1,1,0,0|2,0,0]=4 5552 B12R1.923 CCCCCCNC(=O)C1CO1 1626a_100000210581_100000701028 [0,0,1,1,0,0|2,0,0]=4 5553 B12R1.923 CCCCCCNC(=O)C1CO1 240690a_100000210581_100000701028 [0,0,1,1,0,0|2,0,0]=4 5554 B12R1.923 CCCCCCNC(=O)C1CO1 527a_100000210581_100000701028 [0,0,1,1,0,0|2,0,0]=4 5555 B12R1.923 CCCCCCOC(C)C1CC1 34a_100000744524_100000210314 [0,0,1,1,0,0|1,0,1]=4 5556 B12R1.923 CCCCCCOC(C)C1CC1 7a_100000744524_100000210314 [0,0,1,1,0,0|1,0,1]=4 5557 B12R1.923 CCCCCNCC(=O)C1CC1 2230a_100000209983_100000746382 [0,0,1,1,0,0|2,0,0]=4 5558 B12R1.923 CCCCCNNC(=O)C1CC1 22a_100000694160_100000210395 [0,0,1,1,0,0|2,0,0]=4 5559 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000210253_100000746382 [0,0,1,1,0,0|2,0,0]=4 5560 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000686663_100000718602 [0,0,1,1,0,0|2,0,0]=4 5561 B12R1.923 CCCCCOCC(=O)C1CC1 7a_100000210253_100000746382 [0,0,1,1,0,0|2,0,0]=4 5562 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000210326_100000746382 [0,0,1,1,0,0|2,0,0]=4 5563 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000746382_100000210326 [0,0,1,1,0,0|2,0,0]=4 5564 B12R1.923 CCCCNCOC(=O)C1CC1 2230a_100000102301_100000140896 [0,0,1,1,0,0|1,0,0]=3 5565 B12R1.923 CCCCOCCC(=O)C1CC1 1458a_100000210395_100000743108 [0,0,1,1,0,0|2,0,0]=4 5566 B12R1.923 CCCCOCOC(=O)C1CC1 34a_100000210227_100000140896 [0,0,1,1,0,0|1,0,0]=3 5567 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000140896_100000210210 [0,0,1,1,0,0|1,0,0]=3 5568 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000210211_100000140896 [0,0,1,1,0,0|1,0,0]=3 5569 B12R1.923 CCCOCCNC(=O)C1CC1 1626a_100161115042_100000210395 [0,0,1,1,0,0|2,0,0]=4 5570 B12R1.923 CCCOCCNC(=O)C1CC1 240690a_100161115042_100000210395 [0,0,1,1,0,0|2,0,0]=4 5571 B12R1.923 CCCOCCNC(=O)C1CC1 527a_100161115042_100000210395 [0,0,1,1,0,0|2,0,0]=4 5572 B12R1.923 CCCSCCNC(=O)C1CC1 11a_100020603323_100000210395 [0,0,1,1,0,0|2,0,0]=4 5573 B12R1.923 CCCSCCNC(=O)C1CC1 240690a_100020603323_100000210395 [0,0,1,1,0,0|2,0,0]=4 5574 B12R1.923 CCCSCCNC(=O)C1CC1 527a_100020603323_100000210395 [0,0,1,1,0,0|2,0,0]=4 5575 B12R1.923 CCOCCCNC(=O)C1CC1 11a_100000210961_100000210395 [0,0,1,1,0,0|2,0,0]=4 5576 B12R1.923 CCOCCCNC(=O)C1CC1 1626a_100000210961_100000210395 [0,0,1,1,0,0|2,0,0]=4 5577 B12R1.923 CCOCCCNC(=O)C1CC1 240690a_100000210961_100000210395 [0,0,1,1,0,0|2,0,0]=4 5578 B12R1.923 CCOCCCNC(=O)C1CC1 527a_100000210961_100000210395 [0,0,1,1,0,0|2,0,0]=4 5579 B12R1.923 CCOCSCOC(=O)C1CC1 62a_100000140896_100000739092 [0,0,1,1,0,0|2,0,0]=4 5580 B12R1.923 CCOCSCOC(=O)C1CC1 62a_100000739092_100000140896 [0,0,1,1,0,0|2,0,0]=4 5581 B12R1.923 COCCNCOC(=O)C1CC1 2230a_100000209980_100000140896 [0,0,1,1,0,0|2,0,0]=4 5582 B12R1.923 COCCOCOC(=O)C1CC1 34a_100000210237_100000140896 [0,0,1,1,0,0|2,0,0]=4 5583 B12R1.923 COCCSCOC(=O)C1CC1 62a_100000140896_100000233755 [0,0,1,1,0,0|2,0,0]=4 5584 B12R1.923 COCCSCOC(=O)C1CC1 62a_100000233755_100000140896 [0,0,1,1,0,0|2,0,0]=4 5585 B12R1.923 CSCCNCOC(=O)C1CC1 2230a_100020590264_100000140896 [0,0,1,1,0,0|2,0,0]=4 5586 B12R1.923 CSCCOCOC(=O)C1CC1 34a_100000230434_100000140896 [0,0,1,1,0,0|2,0,0]=4 5587 B12R1.923 CSCCSCOC(=O)C1CC1 62a_100000140896_100000751147 [0,0,1,1,0,0|2,0,0]=4 5588 B12R1.923 CSCCSCOC(=O)C1CC1 62a_100000212216_100000140896 [0,0,1,1,0,0|2,0,0]=4 5589 B12R1.923 NCCCOCOC(=O)C1CC1 34a_100000182051_100000140896 [0,0,1,1,0,0|2,0,0]=4 5590 B12R1.923 O=C(CCCCCCF)C1CC1 1458a_100000210395_100015922095 [0,0,1,1,0,0|2,0,0]=4 5591 B12R1.923 O=C(CCCCCCO)C1CC1 1458a_100000210395_100000766143 [0,0,1,1,0,0|2,0,0]=4 5592 B12R1.923 O=C(NCCCCCO)C1CC1 240690a_100000762737_100000210395 [0,0,1,1,0,0|2,0,0]=4 5593 B12R1.923 O=C(OCNCCCF)C1CC1 2230a_100015189416_100000140896 [0,0,1,1,0,0|2,0,0]=4 5594 B12R1.923 O=C(OCNCCCF)C1CC1 34a_100015189416_100000140896 [0,0,1,1,0,0|2,0,0]=4 5595 B12R1.923 O=C(OCOCCCBr)C1CC1 34a_100011217188_100000140896 [0,0,1,1,0,0|2,0,0]=4 5596 B12R1.923 O=C(OCOCCCCl)C1CC1 34a_100000230001_100000140896 [0,0,1,1,0,0|2,0,0]=4 5597 B12R1.923 O=C(OCOCCCF)C1CC1 34a_100000759539_100000140896 [0,0,1,1,0,0|2,0,0]=4 5598 B12R1.923 O=C(OCSCCCF)C1CC1 62a_100000140896_100011934791 [0,0,1,1,0,0|2,0,0]=4 5599 B12R1.923 O=C(OCSCCCF)C1CC1 62a_100011934791_100000140896 [0,0,1,1,0,0|2,0,0]=4 5600 B12R1.923 O=C(OCSCCCO)C1CC1 62a_100000140896_100011215043 [0,0,1,1,0,0|2,0,0]=4 5601 B12R1.923 O=C(OCSCCCO)C1CC1 62a_100011215043_100000140896 [0,0,1,1,0,0|2,0,0]=4 5602 B12R1.1505 CCCC(=O)COCC1CC1C 7a_100000744939_100000747444 [0,0,1,1,0,0|2,0,0]=4 5603 B12R1.1505 CCCC(=O)OCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000034017 [0,0,1,1,0,0|2,0,0]=4 5604 B12R1.1505 CCCC(=O)OCN[C@@H]1C[C@H]1F 2230a_100025746932_100000034017 [0,0,1,1,0,0|2,0,0]=4 5605 B12R1.1505 CCCC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100000034017 [0,0,1,1,0,0|2,0,0]=4 5606 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,0,1,1,0,0|1,0,0]=3 5607 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,0,1,1,0,0|1,0,0]=3 5608 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [0,0,1,1,0,0|1,0,0]=3 5609 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [0,0,1,1,0,0|1,0,0]=3 5610 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [0,0,1,1,0,0|1,0,0]=3 5611 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [0,0,1,1,0,0|1,0,0]=3 5612 B12R1.1564 CCCC(=O)N1CCCOCC1 11a_100000685342_100000211992 [0,0,1,1,0,0|2,0,0]=4 5613 B12R1.1564 CCCC(=O)N1CCCOCC1 1626a_100000685342_100000211992 [0,0,1,1,0,0|2,0,0]=4 5614 B12R1.1564 CCCC(=O)N1CCCOCC1 240690a_100000685342_100000211992 [0,0,1,1,0,0|2,0,0]=4 5615 B12R1.1564 CCCC(=O)N1CCCOCC1 527a_100000685342_100000211992 [0,0,1,1,0,0|2,0,0]=4 5616 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [0,0,1,1,0,0|2,0,0]=4 5617 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [0,0,1,1,0,0|2,0,0]=4 5618 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [0,0,1,1,0,0|2,0,0]=4 5619 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [0,0,1,1,0,0|2,0,0]=4 5620 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [0,0,1,1,0,0|2,0,0]=4 5621 B12R1.1564 CNCC(=O)N1CCCCCC1 2230a_106832991635_100000182869 [0,0,1,1,0,0|2,0,0]=4 5622 B12R1.1564 CNCC(=O)N1CCCCCC1 34a_100102657272_100000182869 [0,0,1,1,0,0|2,0,0]=4 5623 B12R1.1564 CNCC(=O)N1CCCCCC1 7a_106832991635_100000182869 [0,0,1,1,0,0|2,0,0]=4 5624 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [0,0,1,1,0,0|2,0,0]=4 5625 B12R1.1564 COCC(=O)N1CCCCCC1 11a_100000185865_100000210968 [0,0,1,1,0,0|2,0,0]=4 5626 B12R1.1564 COCC(=O)N1CCCCCC1 1626a_100000185865_100000210968 [0,0,1,1,0,0|2,0,0]=4 5627 B12R1.1564 COCC(=O)N1CCCCCC1 240690a_100000185865_100000210968 [0,0,1,1,0,0|2,0,0]=4 5628 B12R1.1564 COCC(=O)N1CCCCCC1 34a_100138415774_100000182869 [0,0,1,1,0,0|2,0,0]=4 5629 B12R1.1564 COCC(=O)N1CCCCCC1 527a_100000185865_100000210968 [0,0,1,1,0,0|2,0,0]=4 5630 B12R1.1564 CSCC(=O)C1CCCCCC1 1458a_100000184570_100011217769 [0,0,1,1,0,0|2,0,0]=4 5631 B12R1.1564 CSCC(=O)N1CCCCCC1 11a_100000185865_100000184570 [0,0,1,1,0,0|2,0,0]=4 5632 B12R1.1564 CSCC(=O)N1CCCCCC1 1626a_100000185865_100000184570 [0,0,1,1,0,0|2,0,0]=4 5633 B12R1.1564 CSCC(=O)N1CCCCCC1 240690a_100000185865_100000184570 [0,0,1,1,0,0|2,0,0]=4 5634 B12R1.1564 CSCC(=O)N1CCCCCC1 527a_100000185865_100000184570 [0,0,1,1,0,0|2,0,0]=4 5635 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_100000182869_200000210301 [0,0,1,1,0,0|2,0,0]=4 5636 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_200000210301_100000182869 [0,0,1,1,0,0|2,0,0]=4 5637 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [0,0,1,1,0,0|2,0,0]=4 5638 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [0,0,1,1,0,0|2,0,0]=4 5639 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [0,0,1,1,0,0|2,0,0]=4 5640 B12R1.1564 O=C(CCO)N1CCCCCC1 240690a_100000185865_100011216618 [0,0,1,1,0,0|2,0,0]=4 5641 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_100000182869_200025704644 [0,0,1,1,0,0|2,0,0]=4 5642 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_200025704644_100000182869 [0,0,1,1,0,0|2,0,0]=4 5643 B12R1.1996 CCCCCCOC1(CCC1)C 34a_100000759064_100000210314 [0,0,1,1,0,0|1,0,1]=4 5644 B12R1.1996 CCCCCCOC1(CCC1)C 7a_100000759064_100000210314 [0,0,1,1,0,0|1,0,1]=4 5645 B12R1.4 CC(=O)NC1CCC(CC1)O[13CH3] 34a_100000161027_200025704644 [0,0,1,1,0,0|2,0,0]=4 5646 B12R1.4 CC(=O)NC1CCC(CC1)O[13CH3] 7a_100000161027_200025704644 [0,0,1,1,0,0|2,0,0]=4 5647 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CO 240690a_100009821084_100015343762 [0,0,1,1,0,0|2,0,0]=4 5648 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CO 527a_100009821084_100103153847 [0,0,1,1,0,0|2,0,0]=4 5649 B12R1.4 CCC1CCC(CC1)NC(=O)C 11a_100011194317_100015343762 [0,0,1,1,0,0|1,0,0]=3 5650 B12R1.4 CCC1CCC(CC1)NC(=O)C 1626a_100011194317_100015343762 [0,0,1,1,0,0|1,0,0]=3 5651 B12R1.4 CCC1CCC(CC1)NC(=O)C 240690a_100011194317_100015343762 [0,0,1,1,0,0|1,0,0]=3 5652 B12R1.4 CCC1CCC(CC1)NC(=O)C 527a_100011194317_100103153847 [0,0,1,1,0,0|1,0,0]=3 5653 B12R1.4 CCC1CCC(CC1)OC(C)C 34a_100011215326_100000210206 [0,0,1,1,0,0|1,0,1]=4 5654 B12R1.4 CCC1CCC(CC1)OC(C)C 7a_100011215326_100000210206 [0,0,1,1,0,0|1,0,1]=4 5655 B12R1.4 CCN1CCC(CC1)CC(=O)C 1458a_200015183082_200000210301 [0,0,1,1,0,0|2,0,0]=4 5656 B12R1.4 CCN1CCC(CC1)CC(=O)[13CH3] 1458a_200015183082_200025704644 [0,0,1,1,0,0|2,0,0]=4 5657 B12R1.4 CCN1CCC(CC1)NC(=O)C 11a_100000199033_100015343762 [0,0,1,1,0,0|2,0,0]=4 5658 B12R1.4 CCN1CCC(CC1)NC(=O)C 1626a_100000199033_100015343762 [0,0,1,1,0,0|2,0,0]=4 5659 B12R1.4 CCN1CCC(CC1)NC(=O)C 2230a_100000747453_100000210202 [0,0,1,1,0,0|2,0,0]=4 5660 B12R1.4 CCN1CCC(CC1)NC(=O)C 240690a_100000199033_100015343762 [0,0,1,1,0,0|2,0,0]=4 5661 B12R1.4 CCN1CCC(CC1)NC(=O)C 269982a_100000747453_100000204670 [0,0,1,1,0,0|2,0,0]=4 5662 B12R1.4 CCN1CCC(CC1)NC(=O)C 527a_100000199033_100103153847 [0,0,1,1,0,0|2,0,0]=4 5663 B12R1.4 CNC1CCC(CC1)NC(=O)C 270004a_106832991635_100000735651 [0,0,1,1,0,0|2,0,0]=4 5664 B12R1.4 CNC1CCC(CC1)OC(=O)C 270004a_106832991635_200000086378 [0,0,1,1,0,0|1,0,0]=3 5665 B12R1.4 COC1CCC(CC1)CC(=O)C 1458a_100000070787_100013032858 [0,0,1,1,0,0|2,0,0]=4 5666 B12R1.4 COC1CCC(CC1)NC(=O)C 11a_100015205214_100015343762 [0,0,1,1,0,0|2,0,0]=4 5667 B12R1.4 COC1CCC(CC1)NC(=O)C 1626a_100015205214_100015343762 [0,0,1,1,0,0|2,0,0]=4 5668 B12R1.4 COC1CCC(CC1)NC(=O)C 240690a_100015205214_100015343762 [0,0,1,1,0,0|2,0,0]=4 5669 B12R1.4 COC1CCC(CC1)NC(=O)C 34a_100000161027_200000210301 [0,0,1,1,0,0|2,0,0]=4 5670 B12R1.4 COC1CCC(CC1)NC(=O)C 527a_100015205214_100103153847 [0,0,1,1,0,0|2,0,0]=4 5671 B12R1.4 COC1CCC(CC1)NC(=O)C 7a_100000161027_200000210301 [0,0,1,1,0,0|2,0,0]=4 5672 B12R1.182 CCCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210303 [0,0,1,1,0,0|2,0,0]=4 5673 B12R1.182 CCCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000210303 [0,0,1,1,0,0|2,0,0]=4 5674 B12R1.224 CC(=O)NC1CCCC(C1C)C 11a_100000211273_100015343762 [0,0,1,1,0,0|1,0,0]=3 5675 B12R1.224 CC(=O)NC1CCCC(C1C)C 1626a_100000211273_100015343762 [0,0,1,1,0,0|1,0,0]=3 5676 B12R1.224 CC(=O)NC1CCCC(C1C)C 240690a_100000211273_100015343762 [0,0,1,1,0,0|1,0,0]=3 5677 B12R1.224 CC(=O)NC1CCCC(C1C)C 527a_100000211273_100103153847 [0,0,1,1,0,0|1,0,0]=3 5678 B12R1.224 CC(C)OC1CCCC(C1C)C 34a_100011217532_100000210206 [0,0,1,1,0,0|1,0,1]=4 5679 B12R1.224 CC(C)OC1CCCC(C1C)C 7a_100011217532_100000210206 [0,0,1,1,0,0|1,0,1]=4 5680 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,0,1,1,0,0|1,0,0]=3 5681 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,0,1,1,0,0|1,0,0]=3 5682 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,0,1,1,0,0|1,0,0]=3 5683 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,0,1,1,0,0|1,0,0]=3 5684 B12R1.1392 CC(C)OC1CCCCCCC1 34a_100000210054_100000210206 [0,0,1,1,0,0|1,0,1]=4 5685 B12R1.1392 CC(C)OC1CCCCCCC1 7a_100000210054_100000210206 [0,0,1,1,0,0|1,0,1]=4 5686 B12R1.2140 CCCCCC(CC)OC1CC1 34a_100011215405_100000211595 [0,0,1,1,0,0|1,0,1]=4 5687 B12R1.3862 CC(=O)NC1(CCCCC1)CO 240690a_100000740034_100015343762 [0,0,1,1,0,0|2,0,0]=4 5688 B12R1.3862 CC(=O)NC1(CCCCC1)CO 527a_100000740034_100103153847 [0,0,1,1,0,0|2,0,0]=4 5689 B12R1.3862 CCC1(CCCCC1)OC(C)C 34a_100011216009_100000210206 [0,0,1,1,0,0|1,0,1]=4 5690 B12R1.3862 CCC1(CCCCC1)OC(C)C 7a_100011216009_100000210206 [0,0,1,1,0,0|1,0,1]=4 5691 B12R1.293 CCCN(CC=O)C1CCCC1 2230a_100000201646_200015260668 [0,0,1,1,0,0|2,0,0]=4 5692 B12R1.293 CCCN(CC=O)C1CCCC1 269982a_100000201646_200015260668 [0,0,1,1,0,0|2,0,0]=4 5693 B12R1.293 CCCN(CC=O)C1CCCC1 34a_100000201646_200009817547 [0,0,1,1,0,0|2,0,0]=4 5694 B12R1.1143 CCC1CCCN(CC1)CC=O 2230a_100000757272_200015260668 [0,0,1,1,0,0|2,0,0]=4 5695 B12R1.1143 CCC1CCCN(CC1)CC=O 269982a_100000757272_200015260668 [0,0,1,1,0,0|2,0,0]=4 5696 B12R1.1143 CCC1CCCN(CC1)CC=O 34a_100000757272_200009817547 [0,0,1,1,0,0|2,0,0]=4 5697 B12R1.2629 CCCC1(CCCCC1)OCC 34a_200011215981_100000210202 [0,0,1,1,0,0|1,0,1]=4 5698 B12R1.2629 CCCC1(CCCCC1)OCC 7a_200011215981_100000210202 [0,0,1,1,0,0|1,0,1]=4 5699 B12R1.2629 CCCC1(CCCCC1)OCF 34a_200011215981_100015361967 [0,0,1,1,0,0|1,0,1]=4 5700 B12R1.2629 CCCC1(CCCCC1)OCF 7a_200011215981_100015361967 [0,0,1,1,0,0|1,0,1]=4 5701 B12R1.35 CN(CCCC=O)C1CCCC1 2230a_100000207505_200011292268 [0,0,1,1,0,0|2,0,0]=4 5702 B12R1.35 CN(CCCC=O)C1CCCC1 269982a_100000207505_200011292268 [0,0,1,1,0,0|2,0,0]=4 5703 B12R1.483 CN(CCCC=O)CC1CCC1 2230a_200000750244_200011292268 [0,0,1,1,0,0|2,0,0]=4 5704 B12R1.483 CN(CCCC=O)CC1CCC1 269982a_200000750244_200011292268 [0,0,1,1,0,0|2,0,0]=4 5705 B12R1.485 CCCCCC(=O)C1CCC1=O 1458a_100000212188_100009892977 [0,0,1,1,0,0|0,0,2]=4 5706 B12R1.485 CCCCCN(C)C1CCC1=O 269982a_100000223495_100009892977 [0,0,1,1,0,0|2,0,0]=4 5707 B12R1.1631 CC1CCCC(C1OCC=O)C 34a_100011218088_200009817547 [0,0,1,1,0,0|2,0,0]=4 5708 B12R1.1631 CC1CCCC(C1OCC=O)C 7a_100011218088_200015260668 [0,0,1,1,0,0|2,0,0]=4 5709 B12R1.75 CCC1CCCCN1CC(=O)N 2230a_100000210034_100000747473 [0,0,1,1,0,0|2,0,0]=4 5710 B12R1.75 CCC1CCCCN1CC(=O)N 269982a_100000210034_100000187820 [0,0,1,1,0,0|2,0,0]=4 5711 B12R1.75 CCC1CCCCN1CC(=O)N 34a_100000210034_100000187820 [0,0,1,1,0,0|2,0,0]=4 5712 B12R1.75 CCC1CCCCN1CC(=O)[O-] 269982a_100000210034_100020667443 [0,0,1,1,0,0|1,0,1]=4 5713 B12R1.75 CCC1CCCCN1CC(=O)[O-] 34a_100000210034_100020667443 [0,0,1,1,0,0|1,0,1]=4 5714 B12R1.75 CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210202 [0,0,1,1,0,0|2,0,0]=4 5715 B12R1.75 CCN1CCCCC1CC(=O)N 269982a_100015184752_100000204670 [0,0,1,1,0,0|2,0,0]=4 5716 B12R1.75 CCN1CCCCC1CC(=O)N 34a_100015184752_100000210202 [0,0,1,1,0,0|2,0,0]=4 5717 B12R1.81 CCC1CCCN1CCC(=O)C 269982a_100000754278_100000053229 [0,0,1,1,0,0|2,0,0]=4 5718 B12R1.81 CCC1CCCN1CCC(=O)N 2230a_100000754278_100000744528 [0,0,1,1,0,0|2,0,0]=4 5719 B12R1.81 CCC1CCCN1CCC(=O)N 269982a_100000754278_100000744528 [0,0,1,1,0,0|2,0,0]=4 5720 B12R1.81 CCC1CCCN1CCC(=O)N 34a_100000754278_100000731001 [0,0,1,1,0,0|2,0,0]=4 5721 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,0,1,1,0,0|2,0,0]=4 5722 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,0,1,1,0,0|2,0,0]=4 5723 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,0,1,1,0,0|2,0,0]=4 5724 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,0,1,1,0,0|2,0,0]=4 5725 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,0,1,1,0,0|2,0,0]=4 5726 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,0,1,1,0,0|2,0,0]=4 5727 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,0,1,1,0,0|1,0,1]=4 5728 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,0,1,1,0,0|2,0,0]=4 5729 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,0,1,1,0,0|2,0,0]=4 5730 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,0,1,1,0,0|2,0,0]=4 5731 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,0,1,1,0,0|1,0,1]=4 5732 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [0,0,1,1,0,0|2,0,0]=4 5733 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [0,0,1,1,0,0|2,0,0]=4 5734 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [0,0,1,1,0,0|2,0,0]=4 5735 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,0,1,1,0,0|1,0,0]=3 5736 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,0,1,1,0,0|2,0,0]=4 5737 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [0,0,1,1,0,0|2,0,0]=4 5738 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,0,1,1,0,0|2,0,0]=4 5739 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,0,1,1,0,0|1,0,0]=3 5740 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [0,0,1,1,0,0|2,0,0]=4 5741 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [0,0,1,1,0,0|2,0,0]=4 5742 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [0,0,1,1,0,0|2,0,0]=4 5743 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [0,0,1,1,0,0|2,0,0]=4 5744 B12R1.229 CC(=O)CCCCN1CCC1C 269982a_100000755817_100000735457 [0,0,1,1,0,0|2,0,0]=4 5745 B12R1.229 CC(=O)CCCCN1CCC1C 34a_100000755817_100009817362 [0,0,1,1,0,0|2,0,0]=4 5746 B12R1.255 CC(=O)CCCCN1CCCC1 269982a_100000188435_100000735457 [0,0,1,1,0,0|2,0,0]=4 5747 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,0,1,1,0,0|2,0,0]=4 5748 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,0,1,1,0,0|2,0,0]=4 5749 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,0,1,1,0,0|2,0,0]=4 5750 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,0,1,1,0,0|2,0,0]=4 5751 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,0,1,1,0,0|2,0,0]=4 5752 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,0,1,1,0,0|2,0,0]=4 5753 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,0,1,1,0,0|2,0,0]=4 5754 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,0,1,1,0,0|2,0,0]=4 5755 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,0,1,1,0,0|2,0,0]=4 5756 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,0,1,1,0,0|2,0,0]=4 5757 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [0,0,1,1,0,0|2,0,0]=4 5758 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [0,0,1,1,0,0|2,0,0]=4 5759 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [0,0,1,1,0,0|2,0,0]=4 5760 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [0,0,1,1,0,0|2,0,0]=4 5761 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [0,0,1,1,0,0|2,0,0]=4 5762 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [0,0,1,1,0,0|2,0,0]=4 5763 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [0,0,1,1,0,0|2,0,0]=4 5764 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000211070_100102525003 [0,0,1,1,0,0|2,0,0]=4 5765 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000739312_100000179811 [0,0,1,1,0,0|2,0,0]=4 5766 B12R1.255 NC(=O)CCCOC1CCCC1 34a_100000210269_100102525003 [0,0,1,1,0,0|2,0,0]=4 5767 B12R1.255 NC(=O)CCCOC1CCCC1 7a_100000210269_100102525003 [0,0,1,1,0,0|2,0,0]=4 5768 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100011217020_100102525003 [0,0,1,1,0,0|2,0,0]=4 5769 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100102525003_100000179811 [0,0,1,1,0,0|2,0,0]=4 5770 B12R1.255 NC(=O)CCNCC1CCCC1 2230a_100000737975_100000744528 [0,0,1,1,0,0|2,0,0]=4 5771 B12R1.255 NC(=O)CCNCC1CCCC1 269862a_100000740010_100000746403 [0,0,1,1,0,0|2,0,0]=4 5772 B12R1.255 NC(=O)CCNCC1CCCC1 34a_100000737975_100000731001 [0,0,1,1,0,0|2,0,0]=4 5773 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000742336_100000731001 [0,0,1,1,0,0|2,0,0]=4 5774 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000757172_100000740388 [0,0,1,1,0,0|2,0,0]=4 5775 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000742336_100000744528 [0,0,1,1,0,0|2,0,0]=4 5776 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000757172_100000740388 [0,0,1,1,0,0|2,0,0]=4 5777 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000740388_100000744528 [0,0,1,1,0,0|2,0,0]=4 5778 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000744528_100000740388 [0,0,1,1,0,0|2,0,0]=4 5779 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000711301_100000760354 [0,0,1,1,0,0|2,0,0]=4 5780 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000739158_100000747473 [0,0,1,1,0,0|2,0,0]=4 5781 B12R1.255 NC(=O)CNCCC1CCCC1 34a_100000739158_100000187820 [0,0,1,1,0,0|2,0,0]=4 5782 B12R1.255 NC(=O)COCCC1CCCC1 34a_100000749090_100000187820 [0,0,1,1,0,0|2,0,0]=4 5783 B12R1.255 NC(=O)COCCC1CCCC1 7a_100000749090_100000187820 [0,0,1,1,0,0|2,0,0]=4 5784 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000747473_100000760354 [0,0,1,1,0,0|2,0,0]=4 5785 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000760354_100000747473 [0,0,1,1,0,0|2,0,0]=4 5786 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,0,1,1,0,0|1,0,0]=3 5787 B12R1.255 O=C(O)CNCCN1CCCC1 269956a_100016091260_100000004467 [0,0,1,1,0,0|2,0,0]=4 5788 B12R1.255 O=C(O)CONCC1CCCC1 269956a_100000106656_100000740388 [0,0,1,1,0,0|2,0,0]=4 5789 B12R1.255 O=C([O-])CNCCC1CCCC1 34a_100000739158_100020667443 [0,0,1,1,0,0|1,0,1]=4 5790 B12R1.255 O=C([O-])COCCC1CCCC1 34a_100000749090_100020667443 [0,0,1,1,0,0|1,0,1]=4 5791 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100000760354_100020667443 [0,0,1,1,0,0|1,0,1]=4 5792 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100020667443_100000760354 [0,0,1,1,0,0|1,0,1]=4 5793 B12R1.257 CC(=O)CCCCNC1CCC1 34a_100000749019_100009817362 [0,0,1,1,0,0|2,0,0]=4 5794 B12R1.257 CC(=O)CCCCOC1CCC1 34a_100000748187_100009817362 [0,0,1,1,0,0|2,0,0]=4 5795 B12R1.257 CC(=O)CCCCSC1CCC1 62a_100000735457_100000749161 [0,0,1,1,0,0|2,0,0]=4 5796 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [0,0,1,1,0,0|2,0,0]=4 5797 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [0,0,1,1,0,0|2,0,0]=4 5798 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [0,0,1,1,0,0|2,0,0]=4 5799 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [0,0,1,1,0,0|2,0,0]=4 5800 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [0,0,1,1,0,0|2,0,0]=4 5801 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [0,0,1,1,0,0|2,0,0]=4 5802 B12R1.257 NC(=O)CCCCCN1CCC1 269982a_100000754969_100009817443 [0,0,1,1,0,0|2,0,0]=4 5803 B12R1.257 NC(=O)CCCCNC1CCC1 270004a_100000696515_100000241760 [0,0,1,1,0,0|2,0,0]=4 5804 B12R1.257 NC(=O)CCCCNC1CCC1 34a_100000696515_100000749161 [0,0,1,1,0,0|2,0,0]=4 5805 B12R1.257 NC(=O)CCCCOC1CCC1 34a_100012022536_100000749161 [0,0,1,1,0,0|2,0,0]=4 5806 B12R1.257 NC(=O)CCCNCC1CCC1 269862a_100000739312_100000753134 [0,0,1,1,0,0|2,0,0]=4 5807 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000738700_100102525003 [0,0,1,1,0,0|2,0,0]=4 5808 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000739312_100000763275 [0,0,1,1,0,0|2,0,0]=4 5809 B12R1.257 NC(=O)CCCOCC1CCC1 34a_100000760304_100102525003 [0,0,1,1,0,0|2,0,0]=4 5810 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100000763275_100102525003 [0,0,1,1,0,0|2,0,0]=4 5811 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100102525003_100000763275 [0,0,1,1,0,0|2,0,0]=4 5812 B12R1.257 O=C(O)COCCNC1CCC1 269956a_100000700818_100000749161 [0,0,1,1,0,0|2,0,0]=4 5813 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [0,0,1,1,0,0|2,0,0]=4 5814 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [0,0,1,1,0,0|2,0,0]=4 5815 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [0,0,1,1,0,0|2,0,0]=4 5816 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [0,0,1,1,0,0|2,0,0]=4 5817 B12R1.283 CCCN1CCCCC1C(=O)C 1458a_100000743559_200000210301 [0,0,1,1,0,0|2,0,0]=4 5818 B12R1.283 CCCN1CCCCC1C(=O)N 2230a_100000181395_100000210303 [0,0,1,1,0,0|2,0,0]=4 5819 B12R1.283 CCCN1CCCCC1C(=O)N 269982a_100000181395_100000210303 [0,0,1,1,0,0|2,0,0]=4 5820 B12R1.283 CCCN1CCCCC1C(=O)N 34a_100000181395_100000210303 [0,0,1,1,0,0|2,0,0]=4 5821 B12R1.283 CCCN1CCCCC1C(=O)[13CH3] 1458a_100000743559_200025704644 [0,0,1,1,0,0|2,0,0]=4 5822 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,0,1,1,0,0|1,0,0]=3 5823 B12R1.283 CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210207 [0,0,1,1,0,0|2,0,0]=4 5824 B12R1.283 CCCN1CCSCC1C(=O)O 269956a_100011346106_100000210207 [0,0,1,1,0,0|2,0,0]=4 5825 B12R1.283 CCCN1CSCCC1C(=O)O 269956a_100015185162_100000210207 [0,0,1,1,0,0|2,0,0]=4 5826 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,0,1,1,0,0|1,0,0]=3 5827 B12R1.283 COCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000766300 [0,0,1,1,0,0|2,0,0]=4 5828 B12R1.283 CSCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218213 [0,0,1,1,0,0|2,0,0]=4 5829 B12R1.283 O=C(O)[C@@H]1CCCC[C@H]1NCF 269956a_100009816435_100015361967 [0,0,1,1,0,0|2,0,0]=4 5830 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 269956a_100000763471_100011217306 [0,0,1,1,0,0|2,0,0]=4 5831 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 269956a_100000763471_100000211926 [0,0,1,1,0,0|2,0,0]=4 5832 B12R1.386 CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210211 [0,0,1,1,0,0|2,0,0]=4 5833 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,0,1,1,0,0|1,0,0]=3 5834 B12R1.386 CCCCN1CCSC1C(=O)O 269956a_100000035718_100000210211 [0,0,1,1,0,0|2,0,0]=4 5835 B12R1.386 CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210211 [0,0,1,1,0,0|2,0,0]=4 5836 B12R1.386 CCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000739092 [0,0,1,1,0,0|2,0,0]=4 5837 B12R1.386 COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000233755 [0,0,1,1,0,0|2,0,0]=4 5838 B12R1.386 CSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000212216 [0,0,1,1,0,0|2,0,0]=4 5839 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF 269956a_100000743916_100011934791 [0,0,1,1,0,0|2,0,0]=4 5840 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 269956a_100000743916_100011215043 [0,0,1,1,0,0|2,0,0]=4 5841 B12R1.390 CC(=O)CCCCNCC1CC1 34a_100000735609_100009817362 [0,0,1,1,0,0|2,0,0]=4 5842 B12R1.390 CC(=O)CCCCOCC1CC1 34a_100000211283_100009817362 [0,0,1,1,0,0|2,0,0]=4 5843 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000735457_100000742324 [0,0,1,1,0,0|2,0,0]=4 5844 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000756562_100000735457 [0,0,1,1,0,0|2,0,0]=4 5845 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [0,0,1,1,0,0|2,0,0]=4 5846 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [0,0,1,1,0,0|2,0,0]=4 5847 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [0,0,1,1,0,0|2,0,0]=4 5848 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [0,0,1,1,0,0|2,0,0]=4 5849 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [0,0,1,1,0,0|2,0,0]=4 5850 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [0,0,1,1,0,0|2,0,0]=4 5851 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [0,0,1,1,0,0|2,0,0]=4 5852 B12R1.390 NC(=O)CCCCCNC1CC1 34a_100000212008_100009817443 [0,0,1,1,0,0|2,0,0]=4 5853 B12R1.390 NC(=O)CCCCCOC1CC1 34a_100000123541_100000211595 [0,0,1,1,0,0|2,0,0]=4 5854 B12R1.390 NC(=O)CCCCCSC1CC1 62a_100009817443_100000211595 [0,0,1,1,0,0|2,0,0]=4 5855 B12R1.390 NC(=O)CCCCNCC1CC1 269862a_100000696515_100000741477 [0,0,1,1,0,0|2,0,0]=4 5856 B12R1.390 NC(=O)CCCCNCC1CC1 34a_100000696515_100000742324 [0,0,1,1,0,0|2,0,0]=4 5857 B12R1.390 NC(=O)CCCCOCC1CC1 34a_100012022536_100000742324 [0,0,1,1,0,0|2,0,0]=4 5858 B12R1.390 NC(=O)CCCCOCC1CC1 7a_100012022536_100000742324 [0,0,1,1,0,0|2,0,0]=4 5859 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000739312_100000694398 [0,0,1,1,0,0|2,0,0]=4 5860 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000764129_100102525003 [0,0,1,1,0,0|2,0,0]=4 5861 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [0,0,1,1,0,0|2,0,0]=4 5862 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [0,0,1,1,0,0|2,0,0]=4 5863 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100000764125_100102525003 [0,0,1,1,0,0|2,0,0]=4 5864 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100102525003_100000764125 [0,0,1,1,0,0|2,0,0]=4 5865 B12R1.390 O=C(O)COCCNCC1CC1 269956a_100000700818_100000742324 [0,0,1,1,0,0|2,0,0]=4 5866 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [0,0,1,1,0,0|2,0,0]=4 5867 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [0,0,1,1,0,0|2,0,0]=4 5868 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [0,0,1,1,0,0|2,0,0]=4 5869 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [0,0,1,1,0,0|2,0,0]=4 5870 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,0,1,1,0,0|2,0,0]=4 5871 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,0,1,1,0,0|2,0,0]=4 5872 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,0,1,1,0,0|2,0,0]=4 5873 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,0,1,1,0,0|2,0,0]=4 5874 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,0,1,1,0,0|2,0,0]=4 5875 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,0,1,1,0,0|2,0,0]=4 5876 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,0,1,1,0,0|2,0,0]=4 5877 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,0,1,1,0,0|2,0,0]=4 5878 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [0,0,1,1,0,0|2,0,0]=4 5879 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [0,0,1,1,0,0|2,0,0]=4 5880 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [0,0,1,1,0,0|2,0,0]=4 5881 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [0,0,1,1,0,0|2,0,0]=4 5882 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [0,0,1,1,0,0|2,0,0]=4 5883 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [0,0,1,1,0,0|2,0,0]=4 5884 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [0,0,1,1,0,0|2,0,0]=4 5885 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [0,0,1,1,0,0|2,0,0]=4 5886 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [0,0,1,1,0,0|2,0,0]=4 5887 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,0,1,1,0,0|1,0,0]=3 5888 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [0,0,1,1,0,0|1,0,1]=4 5889 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [0,0,1,1,0,0|1,0,1]=4 5890 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [0,0,1,1,0,0|1,0,1]=4 5891 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [0,0,1,1,0,0|1,0,1]=4 5892 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,0,1,1,0,0|2,0,0]=4 5893 B12R1.15 CC(NC(=O)CO)C1CCCC1 240690a_100015185923_100000210174 [0,0,1,1,0,0|2,0,0]=4 5894 B12R1.15 CC(NC(=O)CO)C1CCCC1 527a_100015185923_100000210174 [0,0,1,1,0,0|2,0,0]=4 5895 B12R1.15 CCC(=O)CC(C)N1CCCC1 1458a_100000210414_200015187269 [0,0,1,1,0,0|2,0,0]=4 5896 B12R1.15 CCC(=O)CN(C)C1CCCC1 1458a_100073796569_100000210202 [0,0,1,1,0,0|2,0,0]=4 5897 B12R1.15 CCC(=O)CN(C)C1CCCC1 269982a_100000207505_100000747405 [0,0,1,1,0,0|2,0,0]=4 5898 B12R1.15 CCC(=O)NC(C)C1CCCC1 11a_100015185923_100000210414 [0,0,1,1,0,0|1,0,0]=3 5899 B12R1.15 CCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000210414 [0,0,1,1,0,0|1,0,0]=3 5900 B12R1.15 CCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000210414 [0,0,1,1,0,0|1,0,0]=3 5901 B12R1.15 CCC(=O)NC(C)C1CCCC1 527a_100015185923_100000210414 [0,0,1,1,0,0|1,0,0]=3 5902 B12R1.15 CCC(=O)NC(C)C1CCCO1 11a_100025754208_100000210414 [0,0,1,1,0,0|2,0,0]=4 5903 B12R1.15 CCC(=O)NC(C)C1CCCO1 1626a_100025754208_100000210414 [0,0,1,1,0,0|2,0,0]=4 5904 B12R1.15 CCC(=O)NC(C)C1CCCO1 240690a_100025754208_100000210414 [0,0,1,1,0,0|2,0,0]=4 5905 B12R1.15 CCC(=O)NC(C)C1CCCO1 527a_100025754208_100000210414 [0,0,1,1,0,0|2,0,0]=4 5906 B12R1.15 CCC(C)OC(C)C1CCCC1 34a_100011216366_100011215416 [0,0,1,1,0,0|1,0,1]=4 5907 B12R1.15 CCC(C)OC(C)C1CCCC1 7a_100011216366_100000758301 [0,0,1,1,0,0|1,0,1]=4 5908 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100015185923_106832991635 [0,0,1,1,0,0|2,0,0]=4 5909 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100102657272_100015185923 [0,0,1,1,0,0|2,0,0]=4 5910 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100015185923_100102657272 [0,0,1,1,0,0|2,0,0]=4 5911 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100102657272_100015185923 [0,0,1,1,0,0|2,0,0]=4 5912 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_100015185923_100102657272 [0,0,1,1,0,0|2,0,0]=4 5913 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_106832991638_100015185923 [0,0,1,1,0,0|2,0,0]=4 5914 B12R1.61 CCC(=O)CC1CCN(C1)CC 1458a_100000210414_100015184589 [0,0,1,1,0,0|2,0,0]=4 5915 B12R1.61 CCC(=O)NC1CCN(C1)CC 11a_100015188829_100000210414 [0,0,1,1,0,0|2,0,0]=4 5916 B12R1.61 CCC(=O)NC1CCN(C1)CC 1626a_100015188829_100000210414 [0,0,1,1,0,0|2,0,0]=4 5917 B12R1.61 CCC(=O)NC1CCN(C1)CC 240690a_100015188829_100000210414 [0,0,1,1,0,0|2,0,0]=4 5918 B12R1.61 CCC(=O)NC1CCN(C1)CC 527a_100015188829_100000210414 [0,0,1,1,0,0|2,0,0]=4 5919 B12R1.177 CCC(=O)NC1CC(C1)COC 11a_100012180050_100000210414 [0,0,1,1,0,0|2,0,0]=4 5920 B12R1.177 CCC(=O)NC1CC(C1)COC 1626a_100012180050_100000210414 [0,0,1,1,0,0|2,0,0]=4 5921 B12R1.177 CCC(=O)NC1CC(C1)COC 240690a_100012180050_100000210414 [0,0,1,1,0,0|2,0,0]=4 5922 B12R1.177 CCC(=O)NC1CC(C1)COC 527a_100012180050_100000210414 [0,0,1,1,0,0|2,0,0]=4 5923 B12R1.304 CCC(=O)CN(C)CC1CCC1 269982a_200000750244_100000747405 [0,0,1,1,0,0|2,0,0]=4 5924 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [0,0,1,1,0,0|2,0,0]=4 5925 B12R1.900 CCCCCC(C)OC1(CC1)C 7a_100011725673_200011218191 [0,0,1,1,0,0|1,0,1]=4 5926 B12R1.1748 CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210202 [0,0,1,1,0,0|1,0,1]=4 5927 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,0,1,1,0,0|1,0,0]=3 5928 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,0,1,1,0,0|1,0,0]=3 5929 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [0,0,1,1,0,0|2,0,0]=4 5930 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [0,0,1,1,0,0|2,0,0]=4 5931 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [0,0,1,1,0,0|1,0,0]=3 5932 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [0,0,1,1,0,0|1,0,0]=3 5933 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [0,0,1,1,0,0|1,0,0]=3 5934 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [0,0,1,1,0,0|1,0,0]=3 5935 B12R1.1748 CCC(C)OC1CCCCCC1 34a_100000210887_100011215416 [0,0,1,1,0,0|1,0,1]=4 5936 B12R1.1748 CCC(C)OC1CCCCCC1 7a_100000210887_100000758301 [0,0,1,1,0,0|1,0,1]=4 5937 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [0,0,1,1,0,0|2,0,0]=4 5938 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [0,0,1,1,0,0|2,0,0]=4 5939 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [0,0,1,1,0,0|2,0,0]=4 5940 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [0,0,1,1,0,0|2,0,0]=4 5941 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100000210984_106832991635 [0,0,1,1,0,0|2,0,0]=4 5942 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100102657272_100000210984 [0,0,1,1,0,0|2,0,0]=4 5943 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100000210984_100102657272 [0,0,1,1,0,0|2,0,0]=4 5944 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100102657272_100000210984 [0,0,1,1,0,0|2,0,0]=4 5945 B12R1.1748 CNC(=O)NC1CCCCCC1 512a_106832991638_100000210984 [0,0,1,1,0,0|2,0,0]=4 5946 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [0,0,1,1,0,0|2,0,0]=4 5947 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [0,0,1,1,0,0|2,0,0]=4 5948 B12R1.1748 O=C(CO)NC1CCCCCC1 240690a_100000210984_100000210174 [0,0,1,1,0,0|2,0,0]=4 5949 B12R1.1748 O=C(CO)NC1CCCCCC1 527a_100000210984_100000210174 [0,0,1,1,0,0|2,0,0]=4 5950 B12R1.3441 CC1CCCC(N1C(=O)CO)C 240690a_100000210447_100000210174 [0,0,1,1,0,0|2,0,0]=4 5951 B12R1.3441 CCC(=O)N1C(CCCC1C)C 11a_100000210447_100000210414 [0,0,1,1,0,0|1,0,0]=3 5952 B12R1.3441 CCC(=O)N1C(CCCC1C)C 240690a_100000210447_100000210414 [0,0,1,1,0,0|1,0,0]=3 5953 B12R1.3441 CCC(=O)N1[C@@H](COC[C@@H]1C)C 11a_100103153222_100000210414 [0,0,1,1,0,0|2,0,0]=4 5954 B12R1.3441 CCC(=O)N1[C@@H](COC[C@@H]1C)C 240690a_100103153222_100000210414 [0,0,1,1,0,0|2,0,0]=4 5955 B12R1.3441 CNC(=O)N1C(CCCC1C)C 2708a_100102657272_100000210447 [0,0,1,1,0,0|2,0,0]=4 5956 B12R1.3441 CNC(=O)N1C(CCCC1C)C 273464a_100102657272_100000210447 [0,0,1,1,0,0|2,0,0]=4 5957 B12R1.3524 CC1(CCCCC1)NC(=O)CO 240690a_100000741114_100000210174 [0,0,1,1,0,0|2,0,0]=4 5958 B12R1.3524 CC1(CCCCC1)NC(=O)CO 527a_100000741114_100000210174 [0,0,1,1,0,0|2,0,0]=4 5959 B12R1.3524 CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210202 [0,0,1,1,0,0|2,0,0]=4 5960 B12R1.3524 CCC(=O)NC1(CCCCC1)C 11a_100000741114_100000210414 [0,0,1,1,0,0|1,0,0]=3 5961 B12R1.3524 CCC(=O)NC1(CCCCC1)C 1626a_100000741114_100000210414 [0,0,1,1,0,0|1,0,0]=3 5962 B12R1.3524 CCC(=O)NC1(CCCCC1)C 240690a_100000741114_100000210414 [0,0,1,1,0,0|1,0,0]=3 5963 B12R1.3524 CCC(=O)NC1(CCCCC1)C 527a_100000741114_100000210414 [0,0,1,1,0,0|1,0,0]=3 5964 B12R1.3524 CCC(=O)NC1(CCOCC1)C 11a_100000692449_100000210414 [0,0,1,1,0,0|2,0,0]=4 5965 B12R1.3524 CCC(=O)NC1(CCOCC1)C 1626a_100000692449_100000210414 [0,0,1,1,0,0|2,0,0]=4 5966 B12R1.3524 CCC(=O)NC1(CCOCC1)C 240690a_100000692449_100000210414 [0,0,1,1,0,0|2,0,0]=4 5967 B12R1.3524 CCC(=O)NC1(CCOCC1)C 527a_100000692449_100000210414 [0,0,1,1,0,0|2,0,0]=4 5968 B12R1.3524 CCC(C)OC1(CCCCC1)C 34a_100011215885_100011215416 [0,0,1,1,0,0|1,0,1]=4 5969 B12R1.3524 CCC(C)OC1(CCCCC1)C 7a_100011215885_100000758301 [0,0,1,1,0,0|1,0,1]=4 5970 B12R1.3524 CNC(=O)NC1(CCCCC1)C 2708a_100102657272_100000741114 [0,0,1,1,0,0|2,0,0]=4 5971 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100000741114_100102657272 [0,0,1,1,0,0|2,0,0]=4 5972 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100102657272_100000741114 [0,0,1,1,0,0|2,0,0]=4 5973 B12R1.3524 CNC(=O)NC1(CCCCC1)C 512a_100000741114_100102657272 [0,0,1,1,0,0|2,0,0]=4 5974 B12R2.1286 O=C1CCCC(C1)OC2CC2 34a_100012613340_100000211595 [1,0,0,1,0,0|2,0,0]=4 5975 B12R2.2 C1=CC(CCC1)N2CCCC2 2230a_100000188435_100000751183 [1,0,0,1,0,0|2,0,0]=4 5976 B12R2.2 C1=CC(CCC1)N2CCCC2 269982a_100000188435_100000751183 [1,0,0,1,0,0|2,0,0]=4 5977 B12R2.23 CC1CCN1C2C=CCCC2 269982a_100000755817_100000751183 [1,0,0,1,0,0|2,0,0]=4 5978 B12R2.186 CNCC1CC2C=CC1CC2 269862a_106832991636_100010619355 [1,0,0,1,0,0|2,0,0]=4 5979 B12R2.2057 C1=CC(CCC1)NCC2CC2 2230a_100000735609_100000751183 [1,0,0,1,0,0|2,0,0]=4 5980 B12R2.2057 C1=CC(CCC1)OCC2CC2 34a_100011215024_100000742324 [1,0,0,1,0,0|2,0,0]=4 5981 B12R2.2057 C1=CC(CCC1)SCC2CC2 62a_100000751183_100000742324 [1,0,0,1,0,0|2,0,0]=4 5982 B12R2.2057 C1=CC(CCC1)SCC2CC2 62a_100000756562_100000751183 [1,0,0,1,0,0|2,0,0]=4 5983 B12R2.2057 C1=COC(CC1)COC2CC2 34a_100011217868_100000211595 [1,0,0,1,0,0|1,0,1]=4 5984 B12R2.2057 C1CCC(OC1)CNC2CC2 34a_100000174945_100000211595 [1,0,0,1,0,0|1,0,1]=4 5985 B12R2.2057 C1CCC(OC1)CNC2CC2 34a_100000212008_100000211543 [1,0,0,1,0,0|1,0,1]=4 5986 B12R2.2057 C1CCC(OC1)COC2CC2 34a_100000211370_100000211595 [1,0,0,1,0,0|1,0,1]=4 5987 B12R2.2057 C1CCC(OC1)CSC2CC2 62a_100000211543_100000211595 [1,0,0,1,0,0|1,0,1]=4 5988 B12R2.2057 C1CCC(OC1)OCC2CC2 34a_100000033831_100000742324 [1,0,0,1,0,0|1,0,1]=4 5989 B12R2.2058 C1=CC(CCC1)NC2CCC2 2230a_100000749019_100000751183 [1,0,0,1,0,0|2,0,0]=4 5990 B12R2.2058 C1=CC(CCC1)OC2CCC2 34a_100011215024_100000749161 [1,0,0,1,0,0|2,0,0]=4 5991 B12R2.2058 C1=CC(CCC1)SC2CCC2 62a_100000751183_100000749161 [1,0,0,1,0,0|2,0,0]=4 5992 B12R2.2058 C1CCC(OC1)CN2CCC2 269982a_100000754969_100000211543 [1,0,0,1,0,0|1,0,1]=4 5993 B12R2.2058 C1CCC(OC1)OC2CCC2 34a_100000033831_100000749161 [1,0,0,1,0,0|1,0,1]=4 5994 B12R2.75 CC1CCN1C2COC(=O)O2 34a_100000755817_100000032252 [0,0,0,1,1,0|2,0,0]=4 5995 B12R2.2298 O=C1CCC(C1)OCC2CC2 34a_100012614533_100000742324 [0,0,0,1,1,0|2,0,0]=4 5996 B12R2.2298 O=C1CCC(N1)COC2CC2 34a_100000737831_100000211595 [0,0,0,1,1,0|2,0,0]=4 5997 B12R2.2298 O=C1CC[C@@H](N1)CNC2CC2 34a_100015423886_100000211595 [0,0,0,1,1,0|2,0,0]=4 5998 B12R2.2298 O=C1CC[C@H](N1)CSC2CC2 62a_100015189358_100000211595 [0,0,0,1,1,0|2,0,0]=4 5999 B12R2.2298 O=C1NCC(O1)CNC2CC2 34a_100000212008_100000181169 [0,0,0,1,1,0|2,0,0]=4 6000 B12R2.2298 O=C1NCC(O1)COC2CC2 34a_100011315639_100000211595 [0,0,0,1,1,0|2,0,0]=4 6001 B12R2.2298 O=C1NCC(O1)CSC2CC2 62a_100000181169_100000211595 [0,0,0,1,1,0|2,0,0]=4 6002 B12R2.2298 O=C1OCC(O1)CNC2CC2 34a_100000212008_100000073702 [0,0,0,1,1,0|2,0,0]=4 6003 B12R2.2298 O=C1OCC(O1)CSC2CC2 62a_100000073702_100000211595 [0,0,0,1,1,0|2,0,0]=4 6004 B12R2.2298 O=C1OCC(O1)NCC2CC2 34a_100000735609_100000032252 [0,0,0,1,1,0|2,0,0]=4 6005 B12R2.2298 O=C1OCC(O1)OCC2CC2 34a_100000211283_100000032252 [0,0,0,1,1,0|2,0,0]=4 6006 B12R2.2298 O=C1OCC(O1)SCC2CC2 62a_100000756562_100000032252 [0,0,0,1,1,0|2,0,0]=4 6007 B12R2.2301 O=C1CCC(C1)OC2CCC2 34a_100012614533_100000749161 [0,0,0,1,1,0|2,0,0]=4 6008 B12R2.2301 O=C1CC[C@H](N1)CN2CCC2 269982a_100000754969_100015189358 [0,0,0,1,1,0|2,0,0]=4 6009 B12R2.2301 O=C1NCC(O1)CN2CCC2 269982a_100000754969_100000181169 [0,0,0,1,1,0|2,0,0]=4 6010 B12R2.2301 O=C1OCC(O1)CN2CCC2 269982a_100000754969_100000073702 [0,0,0,1,1,0|2,0,0]=4 6011 B12R2.2301 O=C1OCC(O1)NC2CCC2 34a_100000749019_100000032252 [0,0,0,1,1,0|2,0,0]=4 6012 B12R2.2301 O=C1OCC(O1)OC2CCC2 34a_100000748187_100000032252 [0,0,0,1,1,0|2,0,0]=4 6013 B12R2.10 CN1CCCC1C2CCCC2 2230a_100000743374_200000210301 [0,0,0,1,1,0|2,0,0]=4 6014 B12R2.10 CN1CCCC1C2CCCC2 269982a_100000743374_200000210301 [0,0,0,1,1,0|2,0,0]=4 6015 B12R2.10 CN1CCCC1C2CCCC2 34a_100000743374_200000210301 [0,0,0,1,1,0|2,0,0]=4 6016 B12R2.10 O=C1CCCC1N2CCCC2 2230a_100000188435_100000211823 [0,0,0,1,1,0|1,0,0]=3 6017 B12R2.10 O=C1CCCC1N2CCCC2 269982a_100000188435_100000211823 [0,0,0,1,1,0|1,0,0]=3 6018 B12R2.10 O=C1CCCC1N2CCSC2 2230a_100011215254_100000211823 [0,0,0,1,1,0|2,0,0]=4 6019 B12R2.10 O=C1CCCC1N2CCSC2 269982a_100011215254_100000211823 [0,0,0,1,1,0|2,0,0]=4 6020 B12R2.10 O=C1OCCC1N2CCCC2 2230a_100000188435_100000211211 [0,0,0,1,1,0|2,0,0]=4 6021 B12R2.10 O=C1OCCC1N2CCCC2 269982a_100000188435_100000211211 [0,0,0,1,1,0|2,0,0]=4 6022 B12R2.10 [13CH3]N1CCCC1C2CCCC2 2230a_100000743374_200025704644 [0,0,0,1,1,0|2,0,0]=4 6023 B12R2.10 [13CH3]N1CCCC1C2CCCC2 269982a_100000743374_200025704644 [0,0,0,1,1,0|2,0,0]=4 6024 B12R2.10 [13CH3]N1CCCC1C2CCCC2 34a_100000743374_200025704644 [0,0,0,1,1,0|2,0,0]=4 6025 B12R2.110 CC1CCN1C2CCCC2=O 269982a_100000755817_100000211823 [0,0,0,1,1,0|1,0,0]=3 6026 B12R2.110 CC1CCN1C2CCCC2=O 34a_100000755817_100000709159 [0,0,0,1,1,0|1,0,0]=3 6027 B12R2.110 CC1CCN1C2CCOC2=O 269982a_100000755817_100000211211 [0,0,0,1,1,0|2,0,0]=4 6028 B12R2.110 CC1CCN1C2CCOC2=O 34a_100000755817_100000211211 [0,0,0,1,1,0|2,0,0]=4 6029 B12R2.211 O=C1CCCC1N[C@@H]2C[C@@H]2F 2230a_100015190264_100000211823 [0,0,0,1,1,0|2,0,0]=4 6030 B12R2.211 O=C1CCCC1N[C@@H]2C[C@H]2F 2230a_100025746932_100000211823 [0,0,0,1,1,0|2,0,0]=4 6031 B12R2.211 O=C1CCCC1N[C@@H]2C[C@H]2F 34a_100025746932_100000709159 [0,0,0,1,1,0|2,0,0]=4 6032 B12R2.466 O=C1CCCC1NCC2CC2 2230a_100000735609_100000211823 [0,0,0,1,1,0|1,0,0]=3 6033 B12R2.466 O=C1CCCC1NCC2CC2 34a_100000735609_100000709159 [0,0,0,1,1,0|1,0,0]=3 6034 B12R2.466 O=C1CCCC1OCC2CC2 34a_100000211283_100000709159 [0,0,0,1,1,0|1,0,0]=3 6035 B12R2.466 O=C1CCCC1OCC2CC2 34a_200000719330_100000742324 [0,0,0,1,1,0|1,0,0]=3 6036 B12R2.466 O=C1CCCC1OCC2CO2 34a_200000719330_102125554688 [0,0,0,1,1,0|2,0,0]=4 6037 B12R2.466 O=C1CCCC1OC[C@@H]2CO2 34a_100000757423_100000709159 [0,0,0,1,1,0|2,0,0]=4 6038 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000211823_100000742324 [0,0,0,1,1,0|1,0,0]=3 6039 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000756562_100000211823 [0,0,0,1,1,0|1,0,0]=3 6040 B12R2.466 O=C1CCCC1SCC2CO2 62a_100000211823_102125554688 [0,0,0,1,1,0|2,0,0]=4 6041 B12R2.466 O=C1CCCC1SCC2CO2 62a_102125554688_100000211823 [0,0,0,1,1,0|2,0,0]=4 6042 B12R2.466 O=C1CCCC1SCC2CS2 62a_100000031435_100000211823 [0,0,0,1,1,0|2,0,0]=4 6043 B12R2.466 O=C1CCCC1SCC2CS2 62a_100000211823_100000031435 [0,0,0,1,1,0|2,0,0]=4 6044 B12R2.466 O=C1CCCC1SC[C@@H]2CO2 62a_100000211823_100000745022 [0,0,0,1,1,0|2,0,0]=4 6045 B12R2.466 O=C1CCCC1SC[C@@H]2CO2 62a_100000745022_100000211823 [0,0,0,1,1,0|2,0,0]=4 6046 B12R2.466 O=C1CCCN1CSC2CC2 62a_100000026320_100000211595 [0,0,0,1,1,0|2,0,0]=4 6047 B12R2.466 O=C1NCCC1COC2CC2 34a_100000133458_100000211595 [0,0,0,1,1,0|2,0,0]=4 6048 B12R2.466 O=C1NCCC1NCC2CC2 2230a_100016995588_100000742324 [0,0,0,1,1,0|2,0,0]=4 6049 B12R2.466 O=C1NCCC1NCC2CC2 34a_100016995588_100000742324 [0,0,0,1,1,0|2,0,0]=4 6050 B12R2.466 O=C1NCC[C@@H]1OCC2CC2 34a_100000688343_100000742324 [0,0,0,1,1,0|2,0,0]=4 6051 B12R2.466 O=C1OCCC1NCC2CC2 2230a_100000735609_100000211211 [0,0,0,1,1,0|2,0,0]=4 6052 B12R2.466 O=C1OCCC1NCC2CC2 34a_100000735609_100000211211 [0,0,0,1,1,0|2,0,0]=4 6053 B12R2.466 O=C1OCCC1OCC2CC2 34a_100000211283_100000211211 [0,0,0,1,1,0|2,0,0]=4 6054 B12R2.466 O=C1OCCC1SCC2CC2 62a_100000211211_100000742324 [0,0,0,1,1,0|2,0,0]=4 6055 B12R2.466 O=C1OCCC1SCC2CC2 62a_100000756562_100000211211 [0,0,0,1,1,0|2,0,0]=4 6056 B12R2.1114 O=C1CCCC1NC2CCC2 2230a_100000749019_100000211823 [0,0,0,1,1,0|1,0,0]=3 6057 B12R2.1114 O=C1CCCC1NC2CCC2 34a_100000749019_100000709159 [0,0,0,1,1,0|1,0,0]=3 6058 B12R2.1114 O=C1CCCC1NC2COC2 2230a_100016991112_100000211823 [0,0,0,1,1,0|2,0,0]=4 6059 B12R2.1114 O=C1CCCC1OC2CCC2 34a_100000748187_100000709159 [0,0,0,1,1,0|1,0,0]=3 6060 B12R2.1114 O=C1CCCC1OC2CCC2 34a_200000719330_100000749161 [0,0,0,1,1,0|1,0,0]=3 6061 B12R2.1114 O=C1CCCC1OC2COC2 34a_200000719330_100009818527 [0,0,0,1,1,0|2,0,0]=4 6062 B12R2.1114 O=C1CCCC1OC2CSC2 7a_100000072292_100000211823 [0,0,0,1,1,0|2,0,0]=4 6063 B12R2.1114 O=C1CCCC1SC2CCC2 62a_100000211823_100000749161 [0,0,0,1,1,0|1,0,0]=3 6064 B12R2.1114 O=C1CCCC1SC2COC2 62a_100000211823_100009818527 [0,0,0,1,1,0|2,0,0]=4 6065 B12R2.1114 O=C1CCCN1CN2CCC2 269982a_100000754969_100000026320 [0,0,0,1,1,0|2,0,0]=4 6066 B12R2.1114 O=C1NCCC1NC2CCC2 270004a_100016995588_100000241760 [0,0,0,1,1,0|2,0,0]=4 6067 B12R2.1114 O=C1NCCC1NC2CCC2 34a_100016995588_100000749161 [0,0,0,1,1,0|2,0,0]=4 6068 B12R2.1114 O=C1NCC[C@@H]1OC2CCC2 34a_100000688343_100000749161 [0,0,0,1,1,0|2,0,0]=4 6069 B12R2.1114 O=C1OCCC1NC2CCC2 2230a_100000749019_100000211211 [0,0,0,1,1,0|2,0,0]=4 6070 B12R2.1114 O=C1OCCC1NC2CCC2 34a_100000749019_100000211211 [0,0,0,1,1,0|2,0,0]=4 6071 B12R2.1114 O=C1OCCC1OC2CCC2 34a_100000748187_100000211211 [0,0,0,1,1,0|2,0,0]=4 6072 B12R2.1114 O=C1OCCC1SC2CCC2 62a_100000211211_100000749161 [0,0,0,1,1,0|2,0,0]=4 6073 B14R2.388 O=C1CN(CCCN1)C2CCCC2 2230a_100015190381_100000179811 [0,0,0,1,0,1|2,0,0]=4 6074 B14R2.388 O=C1CN(CCCN1)C2CCCC2 270004a_100015190381_100000210133 [0,0,0,1,0,1|2,0,0]=4 6075 B14R2.21172 O=C1CN(CCCN1)CCC2CC2 2230a_100015190381_100000694398 [0,0,0,1,0,1|2,0,0]=4 6076 B14R2.23348 O=C1CN(CCCN1)CC2CCC2 2230a_100015190381_100000763275 [0,0,0,1,0,1|2,0,0]=4 6077 B14R2.716 CC1=CC(CCC1)OC2CCCC2 34a_100011218613_100000179811 [0,1,0,1,0,0|2,0,0]=4 6078 B14R2.716 O=C1CC(CCN1)NC2CCCC2 2230a_100016994916_100000179811 [0,1,0,1,0,0|2,0,0]=4 6079 B14R2.716 O=C1CC(CCN1)NC2CCCC2 34a_100016994916_100000179811 [0,1,0,1,0,0|2,0,0]=4 6080 B14R2.716 O=C1CCCC(C1)OC2CCCC2 34a_100012613340_100000179811 [0,1,0,1,0,0|1,0,0]=3 6081 B14R2.716 O=C1CCCC(C1)OC2CCOC2 34a_100012613340_100000690089 [0,1,0,1,0,0|2,0,0]=4 6082 B14R2.716 O=C1C[C@@H](CCN1)OC2CCCC2 34a_100015189427_100000179811 [0,1,0,1,0,0|2,0,0]=4 6083 B14R2.4475 CC1=CC(CCC1)OCC2CCC2 34a_100011218613_100000763275 [0,1,0,1,0,0|2,0,0]=4 6084 B14R2.4475 O=C1CC(CCN1)COC2CCC2 34a_100009886756_100000749161 [0,1,0,1,0,0|2,0,0]=4 6085 B14R2.4475 O=C1CC(CCN1)NCC2CCC2 2230a_100016994916_100000763275 [0,1,0,1,0,0|2,0,0]=4 6086 B14R2.4475 O=C1CC(CCN1)NCC2CCC2 269862a_100016994916_100000753134 [0,1,0,1,0,0|2,0,0]=4 6087 B14R2.4475 O=C1CC(CCN1)NCC2CCC2 34a_100016994916_100000763275 [0,1,0,1,0,0|2,0,0]=4 6088 B14R2.4475 O=C1CCCC(C1)OCC2CCC2 34a_100012613340_100000763275 [0,1,0,1,0,0|1,0,0]=3 6089 B14R2.4475 O=C1CCCC(C1)OCC2CCO2 34a_100012613340_100000103362 [0,1,0,1,0,0|2,0,0]=4 6090 B14R2.4475 O=C1CCCC(C1)OCC2COC2 34a_100012613340_100010264016 [0,1,0,1,0,0|2,0,0]=4 6091 B14R2.4475 O=C1CCCC(N1)COC2CCC2 34a_200000102386_100000749161 [0,1,0,1,0,0|1,0,0]=3 6092 B14R2.4475 O=C1CCCC(N1)COC2COC2 34a_200000102386_100009818527 [0,1,0,1,0,0|2,0,0]=4 6093 B14R2.4475 O=C1COCC(N1)COC2CCC2 34a_200000101122_100000749161 [0,1,0,1,0,0|2,0,0]=4 6094 B14R2.4475 O=C1C[C@@H](CCN1)OCC2CCC2 34a_100015189427_100000763275 [0,1,0,1,0,0|2,0,0]=4 6095 B14R2.9061 CC1=CC(CCC1)OCCC2CC2 34a_100011218613_100000694398 [0,1,0,1,0,0|2,0,0]=4 6096 B14R2.9061 O=C1CC(CCN1)COCC2CC2 34a_100009886756_100000742324 [0,1,0,1,0,0|2,0,0]=4 6097 B14R2.9061 O=C1CC(CCN1)NCCC2CC2 2230a_100016994916_100000694398 [0,1,0,1,0,0|2,0,0]=4 6098 B14R2.9061 O=C1CC(CCN1)NCCC2CC2 34a_100016994916_100000694398 [0,1,0,1,0,0|2,0,0]=4 6099 B14R2.9061 O=C1CCCC(C1)OCCC2CC2 34a_100012613340_100000694398 [0,1,0,1,0,0|1,0,0]=3 6100 B14R2.9061 O=C1CCCC(C1)OCCC2CO2 34a_100012613340_100000732470 [0,1,0,1,0,0|2,0,0]=4 6101 B14R2.9061 O=C1CCCC(N1)COCC2CC2 34a_200000102386_100000742324 [0,1,0,1,0,0|1,0,0]=3 6102 B14R2.9061 O=C1CCCC(N1)COCC2CO2 34a_200000102386_102125554688 [0,1,0,1,0,0|2,0,0]=4 6103 B14R2.9061 O=C1COCC(N1)COCC2CC2 34a_200000101122_100000742324 [0,1,0,1,0,0|2,0,0]=4 6104 B14R2.9061 O=C1C[C@@H](CCN1)OCCC2CC2 34a_100015189427_100000694398 [0,1,0,1,0,0|2,0,0]=4 6105 B14R2.4487 CN1C(=O)CCCC1CNC2CC2 34a_200010383782_100000211595 [0,1,0,1,0,0|2,0,0]=4 6106 B14R2.9036 O=C1CCC[C@@H](N1)C(=O)CC2CC2 1458a_100000705292_100000742324 [0,1,0,1,0,0|1,0,1]=4 6107 B14R2.29767 O=C1CCC[C@@H](N1)C(=O)C2CCC2 1458a_100000705292_100000749161 [0,1,0,1,0,0|1,0,1]=4 6108 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,0,1,0,1,0|0,0,0]=2 6109 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,0,1,0,1,0|0,0,0]=2 6110 B10R0.86 CCCCCC(CC)N(C)C 270004a_100102631434_100011215316 [0,0,1,0,1,0|2,0,0]=4 6111 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [0,0,1,0,1,0|2,0,0]=4 6112 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [0,0,1,0,1,0|2,0,0]=4 6113 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [0,0,1,0,1,0|2,0,0]=4 6114 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [0,0,1,0,1,0|2,0,0]=4 6115 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,0,1,0,1,0|2,0,0]=4 6116 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [0,0,1,0,1,0|2,0,0]=4 6117 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [0,0,1,0,1,0|2,0,0]=4 6118 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [0,0,1,0,1,0|2,0,0]=4 6119 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [0,0,1,0,1,0|2,0,0]=4 6120 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [0,0,1,0,1,0|2,0,0]=4 6121 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,0,1,0,1,0|0,0,2]=4 6122 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,0,1,0,1,0|0,0,2]=4 6123 B10R0.83 CCC(=O)C(C)NCCCF 2230a_100015189416_100000742827 [0,0,1,0,1,0|2,0,0]=4 6124 B10R0.83 CCC(=O)C(C)NCCOC 2230a_100000209980_100000742827 [0,0,1,0,1,0|2,0,0]=4 6125 B10R0.83 CCC(=O)C(C)NCCSC 2230a_100020590264_100000742827 [0,0,1,0,1,0|2,0,0]=4 6126 B10R0.83 CCC(=O)C(C)OCCSC 7a_100000230434_100000742827 [0,0,1,0,1,0|2,0,0]=4 6127 B10R0.83 CCC(=O)C(C)SCCCF 62a_100000742827_100011934791 [0,0,1,0,1,0|2,0,0]=4 6128 B10R0.83 CCC(=O)C(C)SCCCF 62a_100011934791_100000742827 [0,0,1,0,1,0|2,0,0]=4 6129 B10R0.83 CCC(=O)C(C)SCCCO 62a_100000742827_100011215043 [0,0,1,0,1,0|2,0,0]=4 6130 B10R0.83 CCC(=O)C(C)SCCCO 62a_100011215043_100000742827 [0,0,1,0,1,0|2,0,0]=4 6131 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000233755_100000742827 [0,0,1,0,1,0|2,0,0]=4 6132 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000742827_100000233755 [0,0,1,0,1,0|2,0,0]=4 6133 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000212216_100000742827 [0,0,1,0,1,0|2,0,0]=4 6134 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000742827_100000751147 [0,0,1,0,1,0|2,0,0]=4 6135 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [0,0,1,0,1,0|2,0,0]=4 6136 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [0,0,1,0,1,0|2,0,0]=4 6137 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [0,0,1,0,1,0|2,0,0]=4 6138 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [0,0,1,0,1,0|2,0,0]=4 6139 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [0,0,1,0,1,0|2,0,0]=4 6140 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,0,1,0,1,0|0,0,0]=2 6141 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,0,1,0,1,0|0,0,0]=2 6142 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,0,1,0,1,0|1,0,0]=3 6143 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,0,1,0,1,0|1,0,0]=3 6144 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,0,1,0,1,0|1,0,0]=3 6145 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,0,1,0,1,0|1,0,0]=3 6146 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,0,1,0,1,0|1,0,0]=3 6147 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,0,1,0,1,0|1,0,0]=3 6148 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [0,0,1,0,1,0|2,0,0]=4 6149 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [0,0,1,0,1,0|2,0,0]=4 6150 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,0,1,0,1,0|1,0,0]=3 6151 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,0,1,0,1,0|1,0,0]=3 6152 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,0,1,0,1,0|1,0,0]=3 6153 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,0,1,0,1,0|1,0,0]=3 6154 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,0,1,0,1,0|2,0,0]=4 6155 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,0,1,0,1,0|2,0,0]=4 6156 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,0,1,0,1,0|2,0,0]=4 6157 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,0,1,0,1,0|2,0,0]=4 6158 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,0,1,0,1,0|1,0,0]=3 6159 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,0,1,0,1,0|1,0,0]=3 6160 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,0,1,0,1,0|2,0,0]=4 6161 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,0,1,0,1,0|2,0,0]=4 6162 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,0,1,0,1,0|2,0,0]=4 6163 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,0,1,0,1,0|2,0,0]=4 6164 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,0,1,0,1,0|2,0,0]=4 6165 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,0,1,0,1,0|2,0,0]=4 6166 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,0,1,0,1,0|1,0,0]=3 6167 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,0,1,0,1,0|2,0,0]=4 6168 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,0,1,0,1,0|2,0,0]=4 6169 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,0,1,0,1,0|2,0,0]=4 6170 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,0,1,0,1,0|2,0,0]=4 6171 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,0,1,0,1,0|2,0,0]=4 6172 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,0,1,0,1,0|1,0,0]=3 6173 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,0,1,0,1,0|1,0,0]=3 6174 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,0,1,0,1,0|1,0,0]=3 6175 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,0,1,0,1,0|2,0,0]=4 6176 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,0,1,0,1,0|2,0,0]=4 6177 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,0,1,0,1,0|2,0,0]=4 6178 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,0,1,0,1,0|2,0,0]=4 6179 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,0,1,0,1,0|2,0,0]=4 6180 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,0,1,0,1,0|2,0,0]=4 6181 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,0,1,0,1,0|2,0,0]=4 6182 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,0,1,0,1,0|2,0,0]=4 6183 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,0,1,0,1,0|2,0,0]=4 6184 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,0,1,0,1,0|2,0,0]=4 6185 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,0,1,0,1,0|2,0,0]=4 6186 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,0,1,0,1,0|2,0,0]=4 6187 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,0,1,0,1,0|2,0,0]=4 6188 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,0,1,0,1,0|2,0,0]=4 6189 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,0,1,0,1,0|2,0,0]=4 6190 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,0,1,0,1,0|2,0,0]=4 6191 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,0,1,0,1,0|2,0,0]=4 6192 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,0,1,0,1,0|2,0,0]=4 6193 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000739092_100000742827 [0,0,1,0,1,0|2,0,0]=4 6194 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000742827_100000739092 [0,0,1,0,1,0|2,0,0]=4 6195 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,0,1,0,1,0|2,0,0]=4 6196 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,0,1,0,1,0|2,0,0]=4 6197 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,0,1,0|2,0,0]=4 6198 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [1,0,0,0,1,0|2,0,0]=4 6199 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [1,0,0,0,1,0|2,0,0]=4 6200 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [1,0,0,0,1,0|2,0,0]=4 6201 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [1,0,0,0,1,0|2,0,0]=4 6202 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [1,0,0,0,1,0|2,0,0]=4 6203 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [1,0,0,0,1,0|2,0,0]=4 6204 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [1,0,0,0,1,0|2,0,0]=4 6205 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [1,0,0,0,1,0|2,0,0]=4 6206 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [1,0,0,0,1,0|2,0,0]=4 6207 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [1,0,0,0,1,0|2,0,0]=4 6208 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [1,0,0,0,1,0|2,0,0]=4 6209 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [1,0,0,0,1,0|2,0,0]=4 6210 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [1,0,0,0,1,0|2,0,0]=4 6211 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [1,0,0,0,1,0|2,0,0]=4 6212 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [1,0,0,0,1,0|2,0,0]=4 6213 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [1,0,0,0,1,0|2,0,0]=4 6214 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [1,0,0,0,1,0|2,0,0]=4 6215 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [1,0,0,0,1,0|2,0,0]=4 6216 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,0,1,0|1,0,0]=3 6217 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,0,1,0|1,0,0]=3 6218 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,0,1,0|2,0,0]=4 6219 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [1,0,0,0,1,0|2,0,0]=4 6220 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,0,1,0|1,0,0]=3 6221 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,0,1,0|1,0,0]=3 6222 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,0,1,0|2,0,0]=4 6223 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,0,1,0|2,0,0]=4 6224 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [1,0,0,0,1,0|2,0,0]=4 6225 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [1,0,0,0,1,0|2,0,0]=4 6226 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [1,0,0,0,1,0|2,0,0]=4 6227 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [1,0,0,0,1,0|2,0,0]=4 6228 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [1,0,0,0,1,0|2,0,0]=4 6229 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [1,0,0,0,1,0|2,0,0]=4 6230 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [1,0,0,0,1,0|2,0,0]=4 6231 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [1,0,0,0,1,0|2,0,0]=4 6232 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [1,0,0,0,1,0|2,0,0]=4 6233 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [1,0,0,0,1,0|2,0,0]=4 6234 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [1,0,0,0,1,0|2,0,0]=4 6235 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [1,0,0,0,1,0|2,0,0]=4 6236 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [1,0,0,0,1,0|2,0,0]=4 6237 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [1,0,0,0,1,0|2,0,0]=4 6238 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [1,0,0,0,1,0|2,0,0]=4 6239 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [1,0,0,0,1,0|2,0,0]=4 6240 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [1,0,0,0,1,0|2,0,0]=4 6241 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [1,0,0,0,1,0|2,0,0]=4 6242 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [1,0,0,0,1,0|2,0,0]=4 6243 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [1,0,0,0,1,0|2,0,0]=4 6244 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [1,0,0,0,1,0|2,0,0]=4 6245 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [1,0,0,0,1,0|2,0,0]=4 6246 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [1,0,0,0,1,0|2,0,0]=4 6247 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [1,0,0,0,1,0|2,0,0]=4 6248 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [1,0,0,0,1,0|2,0,0]=4 6249 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [1,0,0,0,1,0|2,0,0]=4 6250 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [1,0,0,0,1,0|2,0,0]=4 6251 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [1,0,0,0,1,0|2,0,0]=4 6252 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [1,0,0,0,1,0|2,0,0]=4 6253 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [1,0,0,0,1,0|2,0,0]=4 6254 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [1,0,0,0,1,0|2,0,0]=4 6255 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [1,0,0,0,1,0|2,0,0]=4 6256 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [1,0,0,0,1,0|2,0,0]=4 6257 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [1,0,0,0,1,0|1,0,1]=4 6258 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [1,0,0,0,1,0|1,0,1]=4 6259 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [1,0,0,0,1,0|1,0,1]=4 6260 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [1,0,0,0,1,0|1,0,1]=4 6261 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [1,0,0,0,1,0|1,0,1]=4 6262 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [1,0,0,0,1,0|1,0,1]=4 6263 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [1,0,0,0,1,0|1,0,1]=4 6264 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [1,0,0,0,1,0|1,0,1]=4 6265 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [1,0,0,0,1,0|1,0,1]=4 6266 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [1,0,0,0,1,0|1,0,1]=4 6267 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [1,0,0,0,1,0|1,0,1]=4 6268 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [1,0,0,0,1,0|1,0,0]=3 6269 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [1,0,0,0,1,0|1,0,1]=4 6270 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [1,0,0,0,1,0|1,0,1]=4 6271 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [1,0,0,0,1,0|1,0,1]=4 6272 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [1,0,0,0,1,0|1,0,1]=4 6273 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [1,0,0,0,1,0|1,0,1]=4 6274 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [1,0,0,0,1,0|2,0,0]=4 6275 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [1,0,0,0,1,0|2,0,0]=4 6276 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [1,0,0,0,1,0|1,0,0]=3 6277 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [1,0,0,0,1,0|1,0,0]=3 6278 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [1,0,0,0,1,0|1,0,1]=4 6279 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [1,0,0,0,1,0|1,0,1]=4 6280 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [1,0,0,0,1,0|1,0,1]=4 6281 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [1,0,0,0,1,0|1,0,0]=3 6282 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [1,0,0,0,1,0|1,0,0]=3 6283 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [1,0,0,0,1,0|2,0,0]=4 6284 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [1,0,0,0,1,0|2,0,0]=4 6285 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [1,0,0,0,1,0|2,0,0]=4 6286 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [1,0,0,0,1,0|2,0,0]=4 6287 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [1,0,0,0,1,0|1,0,1]=4 6288 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [1,0,0,0,1,0|1,0,1]=4 6289 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [1,0,0,0,1,0|1,0,0]=3 6290 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [1,0,0,0,1,0|1,0,0]=3 6291 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [1,0,0,0,1,0|2,0,0]=4 6292 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [1,0,0,0,1,0|2,0,0]=4 6293 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [1,0,0,0,1,0|1,0,1]=4 6294 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [1,0,0,0,1,0|1,0,1]=4 6295 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [1,0,0,0,1,0|1,0,1]=4 6296 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [1,0,0,0,1,0|2,0,0]=4 6297 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [1,0,0,0,1,0|2,0,0]=4 6298 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [1,0,0,0,1,0|2,0,0]=4 6299 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,0,0,0,1,0|1,0,1]=4 6300 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,0,0,0,1,0|1,0,1]=4 6301 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,0,0,0,1,0|1,0,1]=4 6302 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [1,0,0,0,1,0|2,0,0]=4 6303 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [1,0,0,0,1,0|1,0,1]=4 6304 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [1,0,0,0,1,0|1,0,1]=4 6305 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [1,0,0,0,1,0|2,0,0]=4 6306 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,0,1,0|1,0,1]=4 6307 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,0,1,0|1,0,1]=4 6308 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,0,1,0|1,0,1]=4 6309 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,0,1,0|1,0,1]=4 6310 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,0,1,0|1,0,1]=4 6311 B10R1.21 CNCCCC1OCCO1 2230a_106832991635_100000042513 [1,0,0,0,1,0|2,0,0]=4 6312 B10R1.21 CNCCCC1OCCO1 34a_100102657272_100009861162 [1,0,0,0,1,0|2,0,0]=4 6313 B10R1.21 CNCCCC1OCCO1 7a_106832991635_100000042513 [1,0,0,0,1,0|2,0,0]=4 6314 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,0,0,0,1,0|1,0,1]=4 6315 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,0,0,0,1,0|1,0,1]=4 6316 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,0,0,0,1,0|1,0,1]=4 6317 B10R1.21 COCCCC1OCCO1 34a_100009871617_200000210301 [1,0,0,0,1,0|2,0,0]=4 6318 B10R1.21 COCCCC1OCCO1 34a_100138415774_100009861162 [1,0,0,0,1,0|2,0,0]=4 6319 B10R1.21 COCCCC1OCCO1 7a_100009871617_200000210301 [1,0,0,0,1,0|2,0,0]=4 6320 B10R1.21 COCCOC1CCCO1 34a_100000085407_100011201679 [1,0,0,0,1,0|2,0,0]=4 6321 B10R1.21 COCNC[C@@H]1CCCO1 2230a_100020590478_100000766300 [1,0,0,0,1,0|2,0,0]=4 6322 B10R1.21 COCSCC1CCCO1 62a_100000203698_100000766300 [1,0,0,0,1,0|2,0,0]=4 6323 B10R1.21 COCSCC1CCCO1 62a_100000766300_100000203698 [1,0,0,0,1,0|2,0,0]=4 6324 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,0,1,0|1,0,1]=4 6325 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,0,1,0|1,0,1]=4 6326 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [1,0,0,0,1,0|2,0,0]=4 6327 B10R1.21 CSCCOC1CCCO1 34a_100000085407_100000212216 [1,0,0,0,1,0|2,0,0]=4 6328 B10R1.21 CSCNC[C@@H]1CCCO1 2230a_100020590478_100011218213 [1,0,0,0,1,0|2,0,0]=4 6329 B10R1.21 CSCNC[C@@H]1CCCO1 34a_100020590478_100011218213 [1,0,0,0,1,0|2,0,0]=4 6330 B10R1.21 CSCOCC1CCCO1 34a_100000210270_100011218213 [1,0,0,0,1,0|2,0,0]=4 6331 B10R1.21 CSCSCC1CCCO1 62a_100000203698_100011218213 [1,0,0,0,1,0|2,0,0]=4 6332 B10R1.21 CSCSCC1CCCO1 62a_100011218213_100000203698 [1,0,0,0,1,0|2,0,0]=4 6333 B10R1.21 FCCCOC1CCCO1 34a_100000085407_100011934791 [1,0,0,0,1,0|2,0,0]=4 6334 B10R1.21 FCCNC[C@@H]1CCCO1 2230a_100020590478_100011217306 [1,0,0,0,1,0|2,0,0]=4 6335 B10R1.21 FCCNC[C@@H]1CCCO1 34a_100020590478_100011217306 [1,0,0,0,1,0|2,0,0]=4 6336 B10R1.21 FCCOCC1CCCO1 34a_100000210270_100011217306 [1,0,0,0,1,0|2,0,0]=4 6337 B10R1.21 FCCOCC1CCCO1 7a_100000210270_100011217306 [1,0,0,0,1,0|2,0,0]=4 6338 B10R1.21 FCCSCC1CCCO1 62a_100000203698_100011217306 [1,0,0,0,1,0|2,0,0]=4 6339 B10R1.21 FCCSCC1CCCO1 62a_100011217306_100000203698 [1,0,0,0,1,0|2,0,0]=4 6340 B10R1.21 OCCCOC1CCCO1 34a_100000085407_100000230001 [1,0,0,0,1,0|2,0,0]=4 6341 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [1,0,0,0,1,0|2,0,0]=4 6342 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [1,0,0,0,1,0|2,0,0]=4 6343 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [1,0,0,0,1,0|2,0,0]=4 6344 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [1,0,0,0,1,0|2,0,0]=4 6345 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [1,0,0,0,1,0|2,0,0]=4 6346 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [1,0,0,0,1,0|2,0,0]=4 6347 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [1,0,0,0,1,0|2,0,0]=4 6348 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,0,1,0|1,0,1]=4 6349 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,0,1,0|1,0,1]=4 6350 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,0,0,0,1,0|1,0,1]=4 6351 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,0,0,0,1,0|1,0,1]=4 6352 B10R1.21 [13CH3]OCCCC1OCCO1 34a_100009871617_200025704644 [1,0,0,0,1,0|2,0,0]=4 6353 B10R1.21 [13CH3]OCCCC1OCCO1 7a_100009871617_200025704644 [1,0,0,0,1,0|2,0,0]=4 6354 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,0,1,0|1,0,1]=4 6355 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,0,1,0|1,0,1]=4 6356 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [1,0,0,0,1,0|2,0,0]=4 6357 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,0,0,0,2,0|2,0,0]=4 6358 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,0,0,0,2,0|2,0,0]=4 6359 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,0,0,0,2,0|2,0,0]=4 6360 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,0,0,0,2,0|2,0,0]=4 6361 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,0,0,0,2,0|1,0,0]=3 6362 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,0,0,0,2,0|1,0,0]=3 6363 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,0,0,0,2,0|1,0,0]=3 6364 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,0,0,0,2,0|1,0,0]=3 6365 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,0,0,0,2,0|1,0,0]=3 6366 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,0,0,0,2,0|1,0,0]=3 6367 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,0,0,0,2,0|2,0,0]=4 6368 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,0,0,0,2,0|2,0,0]=4 6369 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,0,0,0,2,0|1,0,0]=3 6370 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,0,0,0,2,0|1,0,0]=3 6371 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,0,0,0,2,0|2,0,0]=4 6372 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,0,0,0,2,0|2,0,0]=4 6373 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,0,0,0,2,0|2,0,0]=4 6374 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,0,0,0,2,0|2,0,0]=4 6375 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,0,0,0,2,0|2,0,0]=4 6376 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,0,0,0,2,0|2,0,0]=4 6377 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,0,0,0,2,0|2,0,0]=4 6378 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,0,0,0,2,0|2,0,0]=4 6379 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,0,0,0,2,0|2,0,0]=4 6380 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,0,0,0,2,0|2,0,0]=4 6381 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,0,0,0,2,0|2,0,0]=4 6382 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,0,0,0,2,0|2,0,0]=4 6383 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,0,0,0,2,0|2,0,0]=4 6384 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,0,0,0,2,0|2,0,0]=4 6385 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,0,0,0,2,0|2,0,0]=4 6386 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,0,0,0,2,0|2,0,0]=4 6387 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,0,0,0,2,0|2,0,0]=4 6388 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,0,0,0,2,0|2,0,0]=4 6389 B12R0.124 C=C(C)COC(CC)CCCCC 34a_100011215405_100000748629 [0,0,1,0,0,1|1,0,0]=3 6390 B12R0.124 C=C(C)COC(CC)CCCCC 7a_100011215405_100000748629 [0,0,1,0,0,1|1,0,0]=3 6391 B12R0.124 C=C(F)COC(CC)CCCCC 34a_100011215405_100009893438 [0,0,1,0,0,1|1,0,1]=4 6392 B12R0.124 C=C(F)COC(CC)CCCCC 7a_100011215405_100000042424 [0,0,1,0,0,1|1,0,1]=4 6393 B12R0.124 CCCCCC(=NNC(=O)C)CC 4a_100000189765_100011215316 [0,0,1,0,0,1|1,0,1]=4 6394 B12R0.124 CCCCCC(CC)OCC(=O)N 34a_100011215405_100000187820 [0,0,1,0,0,1|1,0,0]=3 6395 B12R0.124 CCCCCC(CC)OCC(=O)N 7a_100011215405_100000187820 [0,0,1,0,0,1|1,0,0]=3 6396 B12R0.124 CCCCCC(CC)OCC(=O)[O-] 34a_100011215405_100020667443 [0,0,1,0,0,1|1,0,0]=3 6397 B12R0.124 CCCCCC(CC)OCC(C)C 34a_100011215405_100000210624 [0,0,1,0,0,1|1,0,1]=4 6398 B12R0.124 CCCCCC(CC)OCC(C)C 7a_100011215405_100000210760 [0,0,1,0,0,1|1,0,1]=4 6399 B12R0.124 CCCCCC(CC)OCC(C)O 34a_100011215405_100011218427 [0,0,1,0,0,1|0,0,2]=4 6400 B12R0.124 CCCCCC(CC)OCC(C)O 7a_100011215405_100011218427 [0,0,1,0,0,1|0,0,2]=4 6401 B12R0.124 CCCCCC(CC)OC[C@@H](C)O 34a_100011215405_100009817552 [0,0,1,0,0,1|0,0,2]=4 6402 B12R0.124 CCCCCC(CC)OC[C@@H](C)O 7a_100011215405_100009817552 [0,0,1,0,0,1|0,0,2]=4 6403 B12R0.124 CCCCCC(CC)OC[N+](=O)[O-] 34a_100011215405_100000761209 [0,0,1,0,0,1|2,0,0]=4 6404 B12R0.124 CCCCOC(CCl)COC(=O)C 7a_200000139349_100000210211 [0,0,1,0,0,1|2,0,0]=4 6405 B12R0.124 CCN(CCCCO)COC(=O)C 269982a_100011217355_100000076356 [0,0,1,0,0,1|2,0,0]=4