0 B13R0.1398 C=C(C)CCOC(C)CCC=C(C)C 34a_100102619829_100000730704 [0,0,0,0,0,0|3,0,0]=3 1 B13R0.1398 C=C(C)CCOC(C)CCC=C(C)C 7a_100102619829_100000730704 [0,0,0,0,0,0|3,0,0]=3 2 B13R0.1398 CC(=CCC/C(=C/COC(C)C)/C)C 34a_100000212225_100016991246 [0,0,0,0,0,0|1,0,3]=4 3 B13R0.1398 CC(=CCC/C(=C\COC(C)C)/C)C 34a_100016990311_100000210206 [0,0,0,0,0,0|1,0,3]=4 4 B13R0.1398 CC(=CCC/C(=C\COC(C)C)/C)C 7a_100016990311_100000210206 [0,0,0,0,0,0|1,0,3]=4 5 B13R0.1398 CC(=CCCC(=O)CCNC(=O)N)C 1458a_100000181464_100011217483 [0,0,0,0,0,0|3,0,1]=4 6 B13R0.1398 CC(=CCCC(C)CCNC(C)C)C 2230a_100138425928_100009814015 [0,0,0,0,0,0|2,0,1]=3 7 B13R0.1398 CC(=CCCC(C)CCNC(C)C)C 34a_100138425928_100009814015 [0,0,0,0,0,0|2,0,1]=3 8 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 34a_100000017536_100000210206 [0,0,0,0,0,0|1,0,1]=2 9 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 34a_100000212225_100009814015 [0,0,0,0,0,0|1,0,1]=2 10 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 7a_100000017536_100000210206 [0,0,0,0,0,0|1,0,1]=2 11 B13R0.1398 CC(=CCCC(C)CCSC(C)C)C 62a_100000210206_100009814015 [0,0,0,0,0,0|1,1,1]=3 12 B13R0.1398 CC(=CCCC(C)CCSC(C)C)C 62a_100009814015_100000210206 [0,0,0,0,0,0|1,1,1]=3 13 B13R0.1398 CC(=CCCC(C)CNCC(C)C)C 270004a_100000210953_100000033009 [0,0,0,0,0,0|3,0,1]=4 14 B13R0.1398 CC(=CCCC(C)CNCC(C)O)C 270004a_100000210904_100000033009 [0,0,0,0,0,0|2,0,2]=4 15 B13R0.1398 CC(=CCCC(C)NCC=C(C)C)C 270004a_100000718196_100000765506 [0,0,0,0,0,0|3,0,0]=3 16 B13R0.1398 CC(=CCCC(C)NCCC(C)C)C 270004a_100000210545_100000765506 [0,0,0,0,0,0|3,0,1]=4 17 B13R0.1398 CC(=CCCC(C)NCCC(C)O)C 270004a_200000755665_100000765506 [0,0,0,0,0,0|2,0,2]=4 18 B13R0.1398 CC(=CCCC(C)NCCN(C)C)C 270004a_100000210585_100000765506 [0,0,0,0,0,0|4,0,0]=4 19 B13R0.1398 CC(=CCCC(C)OCC=C(C)C)C 34a_100102619829_100000761012 [0,0,0,0,0,0|3,0,0]=3 20 B13R0.1398 CC(=CCCC(C)OCC=C(C)C)C 7a_100102619829_100000761012 [0,0,0,0,0,0|3,0,0]=3 21 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 34a_100102619829_100000731001 [0,0,0,0,0,0|3,0,0]=3 22 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 7a_100102619829_100000744528 [0,0,0,0,0,0|3,0,0]=3 23 B13R0.1398 CC(=CCCC(C)OCCC(C)C)C 34a_100102619829_100000210312 [0,0,0,0,0,0|3,0,1]=4 24 B13R0.1398 CC(=CCCC(C)OCCC(C)C)C 7a_100102619829_100000210626 [0,0,0,0,0,0|3,0,1]=4 25 B13R0.1398 CC(=CCCC(C)OCCC(C)O)C 34a_100102619829_100012276601 [0,0,0,0,0,0|2,0,2]=4 26 B13R0.1398 CC(=CCCC(C)OCCC(C)O)C 7a_100102619829_100012276601 [0,0,0,0,0,0|2,0,2]=4 27 B13R0.1398 CC(=CCCC(C)OCCN(C)C)C 7a_100102619829_100000755713 [0,0,0,0,0,0|4,0,0]=4 28 B13R0.1398 CC(=CCCC(C)OCOC(C)C)C 34a_100102619829_100000709892 [0,0,0,0,0,0|2,0,1]=3 29 B13R0.1398 CC(=CCCN(C)CCCC(=O)O)C 269956a_100000719178_100011217483 [0,0,0,0,0,0|3,0,0]=3 30 B13R0.1398 CC(=CCCN(C)CCCN(C)C)C 269982a_100000225831_100011217483 [0,0,0,0,0,0|4,0,0]=4 31 B13R0.1398 CC(=CCNC(C)CCCC(C)C)C 2230a_100000210607_100000761012 [0,0,0,0,0,0|3,0,1]=4 32 B13R0.1398 CC(=CCNC(C)CCCC(C)C)C 270004a_100000718196_100000753411 [0,0,0,0,0,0|3,0,1]=4 33 B13R0.1398 CC(=CCNC(C)CCOC(C)C)C 270004a_100000718196_200011219172 [0,0,0,0,0,0|2,0,1]=3 34 B13R0.1398 CC(=CCOC(C)CCCC(=O)[O-])C 7a_100000761597_100000761012 [0,0,0,0,0,0|3,0,0]=3 35 B13R0.1398 CC(=CCOC(C)CCCC(C)C)C 34a_200011218570_100000761012 [0,0,0,0,0,0|3,0,1]=4 36 B13R0.1398 CC(=CCOC(C)CCCC(C)C)C 7a_200011218570_100000761012 [0,0,0,0,0,0|3,0,1]=4 37 B13R0.1398 CC(=O)CCCN(C)CCCN(C)C 269982a_100000225831_100011215641 [0,0,0,0,0,0|3,0,1]=4 38 B13R0.1398 CC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000053229 [0,0,0,0,0,0|2,0,0]=2 39 B13R0.1398 CC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000053229 [0,0,0,0,0,0|2,0,2]=4 40 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100015343762 [0,0,0,0,0,0|1,0,2]=3 41 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100015343762 [0,0,0,0,0,0|1,0,2]=3 42 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100103153847 [0,0,0,0,0,0|1,0,2]=3 43 B13R0.1398 CC(=O)NCCC(=O)CCC=C(C)C 1458a_100000183196_100011217483 [0,0,0,0,0,0|2,0,1]=3 44 B13R0.1398 CC(=O)NCCC(=O)CCOC(=O)C 1458a_100000183196_100009814007 [0,0,0,0,0,0|3,0,1]=4 45 B13R0.1398 CC(=O)NCCC(=O)NCC=C(C)C 11a_100000718196_100000183196 [0,0,0,0,0,0|3,0,1]=4 46 B13R0.1398 CC(=O)NCCC(=O)NCC=C(C)C 1626a_100000718196_100000183196 [0,0,0,0,0,0|3,0,1]=4 47 B13R0.1398 CC(=O)NCCC(=O)NCC=C(C)C 527a_100000718196_100000183196 [0,0,0,0,0,0|3,0,1]=4 48 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100015343762 [0,0,0,0,0,0|1,0,2]=3 49 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100015343762 [0,0,0,0,0,0|1,0,2]=3 50 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100103153847 [0,0,0,0,0,0|1,0,2]=3 51 B13R0.1398 CC(=O)NCCN(C)CCCN(C)C 269982a_100000225831_100000189650 [0,0,0,0,0,0|3,0,1]=4 52 B13R0.1398 CC(=O)NN=CC(C)CCC=C(C)C 4a_100000189765_100000033009 [0,0,0,0,0,0|2,0,1]=3 53 B13R0.1398 CC(=O)OCCC(=O)C/C=C/C(C)C 1458a_100016292215_100009814007 [0,0,0,0,0,0|1,0,3]=4 54 B13R0.1398 CC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_100009814007 [0,0,0,0,0,0|1,0,3]=4 55 B13R0.1398 CC(=O)OCCC(=O)CCSC(=O)C 1458a_100000048949_100009814007 [0,0,0,0,0,0|3,0,1]=4 56 B13R0.1398 CC(=O)OCCN(C)CCCC(=O)O 269956a_100000719178_100009814007 [0,0,0,0,0,0|3,0,1]=4 57 B13R0.1398 CC(=O)OCCN(C)CCCN(C)C 269982a_100000225831_100009814007 [0,0,0,0,0,0|2,0,1]=3 58 B13R0.1398 CC(=O)OCOC(C)CCC=C(C)C 34a_100102619829_100009813279 [0,0,0,0,0,0|1,0,0]=1 59 B13R0.1398 CC(=O)OCOC(C)CCCC(C)C 34a_200011218570_100009813279 [0,0,0,0,0,0|1,0,2]=3 60 B13R0.1398 CC(=O)SCCC(=O)CCC=C(C)C 1458a_100000048949_100011217483 [0,0,0,0,0,0|1,1,1]=3 61 B13R0.1398 CC(=O)SCCC(=O)NCC=C(C)C 1626a_100000718196_100000048949 [0,0,0,0,0,0|2,1,1]=4 62 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 34a_100000015991_100000210206 [0,0,0,0,0,0|1,0,3]=4 63 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 34a_100000212225_100009816328 [0,0,0,0,0,0|1,0,3]=4 64 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 7a_100000015991_100000210206 [0,0,0,0,0,0|1,0,3]=4 65 B13R0.1398 CN(C)CCCN(C)CCOC(=O)N 269982a_100000225831_200011214921 [0,0,0,0,0,0|3,0,1]=4 66 B12R0.233 C/C=C/COC(C)CCC=C(C)C 34a_100102619829_100102629194 [1,0,0,0,0,0|2,0,0]=3 67 B12R0.233 C/C=C/COC(C)CCC=C(C)C 7a_100102619829_100102629194 [1,0,0,0,0,0|2,0,0]=3 68 B12R0.233 C/C=C/COC(C)CCCC(=O)[O-] 7a_100000761597_100102629194 [1,0,0,0,0,0|3,0,0]=4 69 B12R0.233 C=CCCNC(C)CCC=C(C)C 270004a_100015191253_100000765506 [1,0,0,0,0,0|2,0,1]=4 70 B12R0.233 C=CCCOC(C)CCC=C(C)C 34a_100102619829_100000754431 [1,0,0,0,0,0|2,0,1]=4 71 B12R0.233 C=CCCOC(C)CCC=C(C)C 7a_100102619829_100000754431 [1,0,0,0,0,0|2,0,1]=4 72 B12R0.233 C=CCNCC(C)CCC=C(C)C 270004a_100020586998_100000033009 [1,0,0,0,0,0|2,0,1]=4 73 B12R0.233 CC#CCOC(C)CCC=C(C)C 34a_100102619829_100000748600 [1,0,0,0,0,0|2,0,1]=4 74 B12R0.233 CC#CCOC(C)CCC=C(C)C 7a_100102619829_100000748600 [1,0,0,0,0,0|2,0,1]=4 75 B12R0.233 CC(=CCCC(C)CCOCF)C 34a_100000017536_100015361967 [1,0,0,0,0,0|1,0,1]=3 76 B12R0.233 CC(=CCCC(C)CCOCF)C 7a_100000017536_100015361967 [1,0,0,0,0,0|1,0,1]=3 77 B12R0.233 CC(=CCCC(C)CCSCF)C 62a_100009814015_100015361967 [1,0,0,0,0,0|1,1,1]=4 78 B12R0.233 CC(=CCCC(C)CCSCF)C 62a_100015361967_100009814015 [1,0,0,0,0,0|1,1,1]=4 79 B12R0.233 CC=CCOC(C)CCC=C(C)C 34a_100102619829_100000070051 [1,0,0,0,0,0|2,0,0]=3 80 B12R0.233 CC=CCOC(C)CCC=C(C)C 7a_100102619829_100000070051 [1,0,0,0,0,0|2,0,0]=3 81 B12R0.233 CC=CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000070051 [1,0,0,0,0,0|3,0,0]=4 82 B12R0.233 CCCCCC(C)NCC=C(C)C 2230a_100000211957_100000761012 [1,0,0,0,0,0|2,0,1]=4 83 B12R0.233 CCCCCC(C)NCC=C(C)C 270004a_100000718196_100000211708 [1,0,0,0,0,0|2,0,1]=4 84 B12R0.233 CCCCCC(C)NCC=C(C)C 34a_100000718196_200011218191 [1,0,0,0,0,0|2,0,1]=4 85 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100000753907_200011218191 [1,0,0,0,0,0|2,0,1]=4 86 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100011215632_100000761012 [1,0,0,0,0,0|2,0,1]=4 87 B12R0.233 CCCCCC(C)OCC=C(C)C 7a_100011215632_100000761012 [1,0,0,0,0,0|2,0,1]=4 88 B12R0.233 CCCCCC(C)OCOC(=O)C 34a_100011215632_100009813279 [1,0,0,0,0,0|1,0,2]=4 89 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_100000761012_200011218191 [1,0,0,0,0,0|2,0,1]=4 90 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_200011218191_100000761012 [1,0,0,0,0,0|2,0,1]=4 91 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_100000076356_200011218191 [1,0,0,0,0,0|1,0,2]=4 92 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_200011218191_100000076356 [1,0,0,0,0,0|1,0,2]=4 93 B12R0.233 CCCCCN(C)CCC=C(C)C 2230a_100000223495_100011217483 [1,0,0,0,0,0|2,0,1]=4 94 B12R0.233 CCCCCN(C)CCC=C(C)C 269982a_100000223495_100011217483 [1,0,0,0,0,0|2,0,1]=4 95 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [1,0,0,0,0,0|1,0,2]=4 96 B12R0.233 CCCCNC(C)CCC=C(C)C 270004a_100000102301_100000765506 [1,0,0,0,0,0|2,0,1]=4 97 B12R0.233 CCCCOC(C)CCC=C(C)C 34a_100102619829_100000210210 [1,0,0,0,0,0|2,0,1]=4 98 B12R0.233 CCCCOC(C)CCC=C(C)C 7a_100102619829_100000210211 [1,0,0,0,0,0|2,0,1]=4 99 B12R0.233 CCCNCC(C)CCC=C(C)C 270004a_100020643023_100000033009 [1,0,0,0,0,0|2,0,1]=4 100 B12R0.233 CCNCCC(C)CCC=C(C)C 2230a_100015525214_100009814015 [1,0,0,0,0,0|1,0,1]=3 101 B12R0.233 CCNCCC(C)CCC=C(C)C 269862a_100015525214_100000212096 [1,0,0,0,0,0|1,0,1]=3 102 B12R0.233 CCNCCC(C)CCC=C(C)C 270004a_100015525214_100000212096 [1,0,0,0,0,0|1,0,1]=3 103 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210202 [1,0,0,0,0,0|0,0,3]=4 104 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210202 [1,0,0,0,0,0|0,0,3]=4 105 B12R0.233 CCOC/C=C(\C)/CCC=C(C)C 34a_100121572206_100016991246 [1,0,0,0,0,0|0,0,3]=4 106 B12R0.233 CCOCCC(=O)CCC=C(C)C 1458a_100000749530_100011217483 [1,0,0,0,0,0|1,0,2]=4 107 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [1,0,0,0,0,0|0,0,1]=2 108 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [1,0,0,0,0,0|0,0,1]=2 109 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [1,0,0,0,0,0|0,0,1]=2 110 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100000015991_100000210202 [1,0,0,0,0,0|0,0,3]=4 111 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100121572206_100009816328 [1,0,0,0,0,0|0,0,3]=4 112 B12R0.233 CCOCCC(C)CCCC(C)C 7a_100000015991_100000210202 [1,0,0,0,0,0|0,0,3]=4 113 B12R0.233 CCOCCC(C)NCC=C(C)C 270004a_100000718196_200011216536 [1,0,0,0,0,0|1,0,1]=3 114 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100000210202_100009814015 [1,0,0,0,0,0|0,1,1]=3 115 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100009814015_100000210202 [1,0,0,0,0,0|0,1,1]=3 116 B12R0.233 COCCCC(C)OCC=C(C)C 34a_200011539412_100000761012 [1,0,0,0,0,0|3,0,0]=4 117 B12R0.233 COCCCC(C)OCC=C(C)C 7a_200011539412_100000761012 [1,0,0,0,0,0|3,0,0]=4 118 B12R0.233 COCCCC(C)OCOC(=O)C 34a_200011539412_100009813279 [1,0,0,0,0,0|2,0,1]=4 119 B12R0.233 COCCCN(C)CCC=C(C)C 2230a_100000224831_100011217483 [1,0,0,0,0,0|3,0,0]=4 120 B12R0.233 COCCCN(C)CCC=C(C)C 269982a_100000224831_100011217483 [1,0,0,0,0,0|3,0,0]=4 121 B12R0.233 COCCCN(C)CCOC(=O)C 269982a_100000224831_100009814007 [1,0,0,0,0,0|2,0,1]=4 122 B12R0.233 COCCNC(C)CCC=C(C)C 270004a_100000209980_100000765506 [1,0,0,0,0,0|3,0,0]=4 123 B12R0.233 COCCOC(C)CCC=C(C)C 34a_100102619829_100011201679 [1,0,0,0,0,0|3,0,0]=4 124 B12R0.233 COCCOC(C)CCC=C(C)C 7a_100102619829_100000233755 [1,0,0,0,0,0|3,0,0]=4 125 B12R0.233 CSCCCC(C)NCC=C(C)C 270004a_100000718196_100011399439 [1,0,0,0,0,0|3,0,0]=4 126 B12R0.233 CSCCNC(C)CCC=C(C)C 270004a_100020590264_100000765506 [1,0,0,0,0,0|3,0,0]=4 127 B12R0.233 CSCCOC(C)CCC=C(C)C 34a_100102619829_100000212216 [1,0,0,0,0,0|3,0,0]=4 128 B12R0.233 CSCCOC(C)CCC=C(C)C 7a_100102619829_100000212216 [1,0,0,0,0,0|3,0,0]=4 129 B12R0.268 C=C(C)CCOCCCOC(=O)C 34a_100000764851_100000042594 [1,0,0,0,0,0|1,0,2]=4 130 B12R0.268 C=C(C)CCSCCCOC(=O)C 62a_100000042594_100000730704 [1,0,0,0,0,0|1,0,2]=4 131 B12R0.268 C=C(C)CCSCCCOC(=O)C 62a_100000730704_100000042594 [1,0,0,0,0,0|1,0,2]=4 132 B12R0.268 C=C(C)COCCCCOC(=O)C 34a_100000073216_100000748629 [1,0,0,0,0,0|1,0,2]=4 133 B12R0.268 C=C(C)COCCCCOC(=O)C 34a_100000210245_100000033659 [1,0,0,0,0,0|1,0,2]=4 134 B12R0.268 C=C(C)COCCCCOC(=O)C 7a_100000073216_100000748629 [1,0,0,0,0,0|1,0,2]=4 135 B12R0.268 C=C(C)CSCCCCOC(=O)C 62a_100000033659_100000211660 [1,0,0,0,0,0|1,0,2]=4 136 B12R0.268 C=C(C)CSCCCCOC(=O)C 62a_100000748629_100000033659 [1,0,0,0,0,0|1,0,2]=4 137 B12R0.268 CC(=CCCNCCCC(=O)N)C 34a_100000739312_100011217483 [1,0,0,0,0,0|3,0,0]=4 138 B12R0.268 CC(=CCCNCCCS(=O)C)C 2230a_200000753449_100011217483 [1,0,0,0,0,0|3,0,0]=4 139 B12R0.268 CC(=CCCNCCNC(=O)N)C 34a_100020590234_100011217483 [1,0,0,0,0,0|3,0,0]=4 140 B12R0.268 CC(=CCCNCCOC(C)C)C 2230a_100000701111_100011217483 [1,0,0,0,0,0|2,0,1]=4 141 B12R0.268 CC(=CCCNCCOC(C)C)C 34a_100000701111_100011217483 [1,0,0,0,0,0|2,0,1]=4 142 B12R0.268 CC(=CCCOCCNC(=O)N)C 34a_100000181757_100011217483 [1,0,0,0,0,0|3,0,0]=4 143 B12R0.268 CC(=CCCOCCOC(=O)N)C 7a_100000766696_100011217483 [1,0,0,0,0,0|2,0,0]=3 144 B12R0.268 CC(=CCCOCCOC(C)C)C 34a_100000211219_100011217483 [1,0,0,0,0,0|2,0,1]=4 145 B12R0.268 CC(=CCCOCCOC(C)C)C 7a_100000211219_100011217483 [1,0,0,0,0,0|2,0,1]=4 146 B12R0.268 CC(=CCCSCCC=C(C)C)C 62a_100011217483_100011217483 [1,0,0,0,0,0|3,0,0]=4 147 B12R0.268 CC(=CCCSCCCC(=O)N)C 62a_100011217483_100102525003 [1,0,0,0,0,0|3,0,0]=4 148 B12R0.268 CC(=CCCSCCCC(=O)N)C 62a_100102525003_100011217483 [1,0,0,0,0,0|3,0,0]=4 149 B12R0.268 CC(=CCCSCCNC(=O)N)C 62a_100011217483_200000034859 [1,0,0,0,0,0|3,0,0]=4 150 B12R0.268 CC(=CCCSCCNC(=O)N)C 62a_200000034859_100011217483 [1,0,0,0,0,0|3,0,0]=4 151 B12R0.268 CC(=CCCSCCOC(=O)N)C 62a_100011217483_200011214921 [1,0,0,0,0,0|2,0,0]=3 152 B12R0.268 CC(=CCCSCCOC(=O)N)C 62a_200011214921_100011217483 [1,0,0,0,0,0|2,0,0]=3 153 B12R0.268 CC(=CCCSCCOC(C)C)C 62a_100000211751_100011217483 [1,0,0,0,0,0|2,0,1]=4 154 B12R0.268 CC(=CCCSCCOC(C)C)C 62a_100011217483_100000211751 [1,0,0,0,0,0|2,0,1]=4 155 B12R0.268 CC(=CCNCCCCC(=O)N)C 34a_100000696515_100000761012 [1,0,0,0,0,0|3,0,0]=4 156 B12R0.268 CC(=CCNCCCOC(C)C)C 2230a_100000737246_100000761012 [1,0,0,0,0,0|2,0,1]=4 157 B12R0.268 CC(=CCNCCCOC(C)C)C 34a_100000737246_100000761012 [1,0,0,0,0,0|2,0,1]=4 158 B12R0.268 CC(=CCOCCCCC(=O)N)C 34a_100012022536_100000761012 [1,0,0,0,0,0|3,0,0]=4 159 B12R0.268 CC(=CCOCCCCC(=O)N)C 7a_100012022536_100000761012 [1,0,0,0,0,0|3,0,0]=4 160 B12R0.268 CC(=O)CCCCNCC=C(C)C 34a_100000718196_100009817362 [1,0,0,0,0,0|2,0,0]=3 161 B12R0.268 CC(=O)CCCCOCC=C(C)C 34a_100000753907_100009817362 [1,0,0,0,0,0|2,0,0]=3 162 B12R0.268 CC(=O)CCCCSCC=C(C)C 62a_100000735457_100000761012 [1,0,0,0,0,0|2,0,0]=3 163 B12R0.268 CC(=O)CCCCSCC=C(C)C 62a_100000761012_100000735457 [1,0,0,0,0,0|2,0,0]=3 164 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000076356_100000735457 [1,0,0,0,0,0|2,0,1]=4 165 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000735457_100000076356 [1,0,0,0,0,0|2,0,1]=4 166 B12R0.268 CC(=O)CCCOCCC=C(C)C 34a_100000759063_100011217483 [1,0,0,0,0,0|2,0,0]=3 167 B12R0.268 CC(=O)CCCOCCC=C(C)C 7a_100000759063_100011217483 [1,0,0,0,0,0|2,0,0]=3 168 B12R0.268 CC(=O)CCCOCCOC(=O)C 34a_100000759063_100009814007 [1,0,0,0,0,0|2,0,1]=4 169 B12R0.268 CC(=O)CCCOCCOC(=O)C 7a_100000759063_100009814007 [1,0,0,0,0,0|2,0,1]=4 170 B12R0.268 CC(=O)CCCSCCC=C(C)C 62a_100011215641_100011217483 [1,0,0,0,0,0|2,0,0]=3 171 B12R0.268 CC(=O)CCCSCCC=C(C)C 62a_100011217483_100011215641 [1,0,0,0,0,0|2,0,0]=3 172 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100009814007_100011215641 [1,0,0,0,0,0|2,0,1]=4 173 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100011215641_100009814007 [1,0,0,0,0,0|2,0,1]=4 174 B12R0.268 CC(=O)CCOCCCOC(=O)C 34a_100000759926_100000042594 [1,0,0,0,0,0|2,0,1]=4 175 B12R0.268 CC(=O)CCOCCCOC(=O)C 7a_100000759926_100000042594 [1,0,0,0,0,0|2,0,1]=4 176 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000042594_100000053229 [1,0,0,0,0,0|2,0,1]=4 177 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000053229_100000042594 [1,0,0,0,0,0|2,0,1]=4 178 B12R0.268 CC(=O)COCCCCOC(=O)C 34a_100000211253_100000033659 [1,0,0,0,0,0|2,0,1]=4 179 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [1,0,0,0,0,0|1,0,2]=4 180 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [1,0,0,0,0,0|1,0,2]=4 181 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [1,0,0,0,0,0|1,0,2]=4 182 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [1,0,0,0,0,0|1,0,2]=4 183 B12R0.268 CC(=O)NCCCCCCN(C)C 240690a_200011233508_100015343762 [1,0,0,0,0,0|2,0,1]=4 184 B12R0.268 CC(=O)NCCCCCNC(=O)C 1626a_200012022750_100015343762 [1,0,0,0,0,0|3,0,0]=4 185 B12R0.268 CC(=O)NCCCCCNC(=O)C 240690a_200012022750_100015343762 [1,0,0,0,0,0|3,0,0]=4 186 B12R0.268 CC(=O)NCCCCCNC(=O)C 527a_200012022750_100103153847 [1,0,0,0,0,0|3,0,0]=4 187 B12R0.268 CC(=O)NCCCCCNC(C)C 2230a_200012022750_100000210206 [1,0,0,0,0,0|2,0,1]=4 188 B12R0.268 CC(=O)NCCCCCNC(C)C 34a_200012022750_100000210206 [1,0,0,0,0,0|2,0,1]=4 189 B12R0.268 CC(=O)NCCCNCC=C(C)C 34a_100000736810_100000761012 [1,0,0,0,0,0|2,0,0]=3 190 B12R0.268 CC(=O)NCCCNCOC(=O)C 34a_100000736810_100009813279 [1,0,0,0,0,0|3,0,0]=4 191 B12R0.268 CC(=O)NCCCOCC=C(C)C 34a_100000752032_100000761012 [1,0,0,0,0,0|2,0,0]=3 192 B12R0.268 CC(=O)NCCCOCOC(=O)C 34a_100000752032_100009813279 [1,0,0,0,0,0|3,0,0]=4 193 B12R0.268 CC(=O)NCCNCCC=C(C)C 2230a_100000209853_100011217483 [1,0,0,0,0,0|2,0,0]=3 194 B12R0.268 CC(=O)NCCOCCC=C(C)C 34a_100000158858_100011217483 [1,0,0,0,0,0|2,0,0]=3 195 B12R0.268 CC(=O)NCCOCCOC(=O)C 34a_100000158858_100009814007 [1,0,0,0,0,0|3,0,0]=4 196 B12R0.268 CC(=O)NCCSCCC=C(C)C 62a_100000189650_100011217483 [1,0,0,0,0,0|2,0,0]=3 197 B12R0.268 CC(=O)NCCSCCC=C(C)C 62a_100011217483_100000189650 [1,0,0,0,0,0|2,0,0]=3 198 B12R0.268 CC(=O)NCCSCCOC(=O)C 62a_100000189650_100009814007 [1,0,0,0,0,0|3,0,0]=4 199 B12R0.268 CC(=O)NCCSCCOC(=O)C 62a_100009814007_100000189650 [1,0,0,0,0,0|3,0,0]=4 200 B12R0.268 CC(=O)OCCCCCNC(C)C 2230a_100138425928_100009813381 [1,0,0,0,0,0|1,0,1]=3 201 B12R0.268 CC(=O)OCCCCCNC(C)C 34a_100138425928_100000033007 [1,0,0,0,0,0|1,0,1]=3 202 B12R0.268 CC(=O)OCCCCCOC(C)C 34a_100000212225_100000033007 [1,0,0,0,0,0|1,0,1]=3 203 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000033007_100000210206 [1,0,0,0,0,0|1,0,1]=3 204 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000210206_100000033007 [1,0,0,0,0,0|1,0,1]=3 205 B12R0.268 CC(=O)OCCCCNCC(C)C 34a_100000210953_100000033659 [1,0,0,0,0,0|1,0,2]=4 206 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000073216_100000210624 [1,0,0,0,0,0|1,0,2]=4 207 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000210257_100000033659 [1,0,0,0,0,0|1,0,2]=4 208 B12R0.268 CC(=O)OCCCCOCC(C)C 7a_100000073216_100000210760 [1,0,0,0,0,0|1,0,2]=4 209 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000033659_100000210760 [1,0,0,0,0,0|1,0,2]=4 210 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000210624_100000033659 [1,0,0,0,0,0|1,0,2]=4 211 B12R0.268 CC(=O)OCCCNCC=C(C)C 34a_100000718196_100000042594 [1,0,0,0,0,0|1,0,0]=2 212 B12R0.268 CC(=O)OCCCOCC=C(C)C 34a_100000753907_100000042594 [1,0,0,0,0,0|1,0,0]=2 213 B12R0.268 CC(=O)OCCCOCCC(C)C 34a_100000210254_100000042594 [1,0,0,0,0,0|1,0,2]=4 214 B12R0.268 CC(=O)OCCCOCCC(C)C 7a_100000210254_100000042594 [1,0,0,0,0,0|1,0,2]=4 215 B12R0.268 CC(=O)OCCCSCC=C(C)C 62a_100000042594_100000761012 [1,0,0,0,0,0|1,0,0]=2 216 B12R0.268 CC(=O)OCCCSCC=C(C)C 62a_100000761012_100000042594 [1,0,0,0,0,0|1,0,0]=2 217 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000042594_100000210312 [1,0,0,0,0,0|1,0,2]=4 218 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000210312_100000042594 [1,0,0,0,0,0|1,0,2]=4 219 B12R0.268 CC(=O)OCCCSCCN(C)C 62a_100000042594_100000755713 [1,0,0,0,0,0|2,0,1]=4 220 B12R0.268 CC(=O)OCCCSCOC(=O)C 62a_100000042594_100000076356 [1,0,0,0,0,0|3,0,0]=4 221 B12R0.268 CC(=O)OCCCSCOC(=O)C 62a_100000076356_100000042594 [1,0,0,0,0,0|3,0,0]=4 222 B12R0.268 CC(=O)OCCCSCOC(C)C 62a_100000042594_100000709892 [1,0,0,0,0,0|2,0,1]=4 223 B12R0.268 CC(=O)OCCCSCOC(C)C 62a_100000709892_100000042594 [1,0,0,0,0,0|2,0,1]=4 224 B12R0.268 CC(=O)OCCNCCCC(C)C 34a_200000737386_100009814007 [1,0,0,0,0,0|1,0,2]=4 225 B12R0.268 CC(=O)OCCNCCOC(C)C 34a_100000701111_100009814007 [1,0,0,0,0,0|2,0,1]=4 226 B12R0.268 CC(=O)OCCNCCSC(C)C 34a_100000731138_100009814007 [1,0,0,0,0,0|2,0,1]=4 227 B12R0.268 CC(=O)OCCOCCCC(C)C 34a_100000210774_100009814007 [1,0,0,0,0,0|1,0,2]=4 228 B12R0.268 CC(=O)OCCOCCCC(C)C 7a_100000210774_100009814007 [1,0,0,0,0,0|1,0,2]=4 229 B12R0.268 CC(=O)OCCOCCNC(C)C 2230a_100138425928_200000083610 [1,0,0,0,0,0|2,0,1]=4 230 B12R0.268 CC(=O)OCCOCCNC(C)C 34a_100000224655_100009814007 [1,0,0,0,0,0|2,0,1]=4 231 B12R0.268 CC(=O)OCCOCCNC(C)C 34a_100138425928_200000083610 [1,0,0,0,0,0|2,0,1]=4 232 B12R0.268 CC(=O)OCCOCCOC(C)C 34a_100000211219_100009814007 [1,0,0,0,0,0|2,0,1]=4 233 B12R0.268 CC(=O)OCCOCCOC(C)C 34a_100000212225_200000083610 [1,0,0,0,0,0|2,0,1]=4 234 B12R0.268 CC(=O)OCCOCCOC(C)C 7a_100000211219_100009814007 [1,0,0,0,0,0|2,0,1]=4 235 B12R0.268 CC(=O)OCCOCCSC(C)C 34a_200011212901_100009814007 [1,0,0,0,0,0|2,0,1]=4 236 B12R0.268 CC(=O)OCCOCCSC(C)C 62a_100000210206_200000083610 [1,0,0,0,0,0|2,0,1]=4 237 B12R0.268 CC(=O)OCCOCCSC(C)C 62a_200000083610_100000210206 [1,0,0,0,0,0|2,0,1]=4 238 B12R0.268 CC(=O)OCCOCCSC(C)C 7a_200011212901_100009814007 [1,0,0,0,0,0|2,0,1]=4 239 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100009814007_100011217483 [1,0,0,0,0,0|1,0,0]=2 240 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100011217483_100009814007 [1,0,0,0,0,0|1,0,0]=2 241 B12R0.268 CC(=O)OCCSCCC=C(F)F 62a_100009814007_200009816681 [1,0,0,0,0,0|3,0,0]=4 242 B12R0.268 CC(=O)OCCSCCC=C(F)F 62a_200009816681_100009814007 [1,0,0,0,0,0|3,0,0]=4 243 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100009814007_100011214892 [1,0,0,0,0,0|1,0,2]=4 244 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100011214892_100009814007 [1,0,0,0,0,0|1,0,2]=4 245 B12R0.268 CC(=O)OCCSCCCN(C)C 62a_100009814007_100000757444 [1,0,0,0,0,0|2,0,1]=4 246 B12R0.268 CC(=O)OCCSCCOC(=O)C 62a_100009814007_100009814007 [1,0,0,0,0,0|3,0,0]=4 247 B12R0.268 CC(=O)OCCSCCOC(C)C 62a_100000211751_100009814007 [1,0,0,0,0,0|2,0,1]=4 248 B12R0.268 CC(=O)OCCSCCOC(C)C 62a_100009814007_100000211751 [1,0,0,0,0,0|2,0,1]=4 249 B12R0.268 CC(=O)OCCSCCSC(C)C 62a_100000730970_100009814007 [1,0,0,0,0,0|2,0,1]=4 250 B12R0.268 CC(=O)OCCSCCSC(C)C 62a_100009814007_100000730970 [1,0,0,0,0,0|2,0,1]=4 251 B12R0.268 CC(=O)OCNCCCOC(C)C 34a_100000737246_100009813279 [1,0,0,0,0,0|2,0,1]=4 252 B12R0.268 CC(=O)OCOCCCCC(C)C 34a_100011214890_100009813279 [1,0,0,0,0,0|1,0,2]=4 253 B12R0.268 CC(=O)OCOCCCNC(C)C 34a_100000182298_100009813279 [1,0,0,0,0,0|2,0,1]=4 254 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100000076356_100011216152 [1,0,0,0,0,0|1,0,2]=4 255 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100011216152_100000076356 [1,0,0,0,0,0|1,0,2]=4 256 B12R0.268 CC(=O)OCSCCCCN(C)C 62a_100000076356_100000690147 [1,0,0,0,0,0|2,0,1]=4 257 B12R0.268 CC(=O)OCSCCCOC(=S)C 62a_100000076356_200135323944 [1,0,0,0,0,0|3,0,0]=4 258 B12R0.268 CC(=O)OCSCCCOC(=S)C 62a_200135323944_100000076356 [1,0,0,0,0,0|3,0,0]=4 259 B12R0.268 CC(=O)OCSCCCSC(=O)C 62a_100000038929_100000076356 [1,0,0,0,0,0|3,0,0]=4 260 B12R0.268 CC(=O)OCSCCCSC(=O)C 62a_100000076356_100000038929 [1,0,0,0,0,0|3,0,0]=4 261 B12R0.268 CC(=O)SCCCNCC=C(C)C 34a_100000718196_100000038929 [1,0,0,0,0,0|1,1,0]=3 262 B12R0.268 CC(=O)SCCCOCC=C(C)C 34a_100000753907_100000038929 [1,0,0,0,0,0|1,1,0]=3 263 B12R0.268 CC(=O)SCCCSCC=C(C)C 62a_100000038929_100000761012 [1,0,0,0,0,0|1,1,0]=3 264 B12R0.268 CC(=O)SCCCSCC=C(C)C 62a_100000761012_100000038929 [1,0,0,0,0,0|1,1,0]=3 265 B12R0.268 CC(=S)OCCCNCC=C(C)C 34a_100000718196_200135323944 [1,0,0,0,0,0|1,1,0]=3 266 B12R0.268 CC(=S)OCCCOCC=C(C)C 34a_100000753907_200135323944 [1,0,0,0,0,0|1,1,0]=3 267 B12R0.268 CC(=S)OCCCSCC=C(C)C 62a_100000761012_200135323944 [1,0,0,0,0,0|1,1,0]=3 268 B12R0.268 CC(=S)OCCCSCC=C(C)C 62a_200135323944_100000761012 [1,0,0,0,0,0|1,1,0]=3 269 B14R0.222 C=C(C)C(=O)CCC(C)CCC=C(C)C 1458a_100000185857_100009814015 [0,1,0,0,0,0|2,0,0]=3 270 B14R0.222 C=C(C)C(=O)NCC(C)OCOC(=O)C 34a_100000065599_100009813279 [0,1,0,0,0,0|2,0,1]=4 271 B14R0.222 CC(=CCCC(C)CCC(=O)C(C)C)C 1458a_100000210198_100009814015 [0,1,0,0,0,0|2,0,1]=4 272 B14R0.222 CC(=CCCC(C)CCC(=O)C(C)F)C 1458a_100000062450_100009814015 [0,1,0,0,0,0|2,0,1]=4 273 B14R0.222 CC(=CCCC(C)CCC(=O)[C@@H](C)O)C 1458a_100000717761_100009814015 [0,1,0,0,0,0|1,0,2]=4 274 B14R0.222 CC(=CCCC(C)CCC(=O)[C@H](C)O)C 1458a_217856618621_100009814015 [0,1,0,0,0,0|1,0,2]=4 275 B14R0.222 CC(=CCCC(C)CCN(C)C(C)C)C 269982a_200000211004_100009814015 [0,1,0,0,0,0|2,0,1]=4 276 B14R0.222 CC(=CCCC(C)CCN(C)C(C)C)C 270004a_200000211004_100000212096 [0,1,0,0,0,0|2,0,1]=4 277 B14R0.222 CC(=CCCC(C)CN[C@H](C)C(=O)N)C 270004a_100000119354_100000033009 [0,1,0,0,0,0|3,0,0]=4 278 B14R0.222 CC(=O)C(=O)COC(C)CCC=C(C)C 34a_100102619829_100011261029 [0,1,0,0,0,0|2,0,0]=3 279 B14R0.222 CC(=O)N(C)CCC(=O)CCC=C(C)C 1458a_100011216537_100011217483 [0,1,0,0,0,0|2,0,1]=4 280 B14R0.222 CC(=O)OCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100009814007 [0,1,0,0,0,0|2,0,1]=4 281 B14R0.304 C#CC(C)NCCC(C)CCC=C(C)C 2230a_100000707721_100009814015 [0,1,0,0,0,0|2,0,1]=4 282 B14R0.304 C#CC(C)NCCC(C)CCC=C(C)C 270004a_100000707721_100000212096 [0,1,0,0,0,0|2,0,1]=4 283 B14R0.304 C#CC(C)NCCC(C)CCC=C(C)C 34a_100000707721_100009814015 [0,1,0,0,0,0|2,0,1]=4 284 B14R0.304 C#CC(C)OCCC(C)CCC=C(C)C 34a_100000017536_200000035995 [0,1,0,0,0,0|1,0,1]=3 285 B14R0.304 C#CC(C)SCCC(C)CCC=C(C)C 62a_200000035995_100009814015 [0,1,0,0,0,0|1,1,1]=4 286 B14R0.304 C#C[C@@H](C)OCCC(C)CCC=C(C)C 34a_100009815206_100009814015 [0,1,0,0,0,0|1,0,1]=3 287 B14R0.304 C#C[C@@H](C)OCCC(C)CCC=C(C)C 7a_100009815206_100009814015 [0,1,0,0,0,0|1,0,1]=3 288 B14R0.304 C=CC(=O)OCCC(=O)CCC=C(C)C 1458a_100000065099_100011217483 [0,1,0,0,0,0|1,0,2]=4 289 B14R0.304 C=CC(C)OCCC(C)CCC=C(C)C 34a_100000695699_100009814015 [0,1,0,0,0,0|1,0,1]=3 290 B14R0.304 C=CC(C)SCCC(C)CCC=C(C)C 62a_100011215867_100009814015 [0,1,0,0,0,0|1,1,1]=4 291 B14R0.304 CC(=CCC/C(=C/CNC(=O)CO)/C)C 527a_200020676162_100000210174 [0,1,0,0,0,0|1,0,2]=4 292 B14R0.304 CC(=CCCC(C)CCNC(C)C#N)C 2230a_100000737613_100009814015 [0,1,0,0,0,0|2,0,1]=4 293 B14R0.304 CC(=CCCC(C)CCN[C@H](C)CF)C 269862a_100102880703_100000212096 [0,1,0,0,0,0|2,0,1]=4 294 B14R0.304 CC(=CCCC(C)CCN[C@H](C)CF)C 270004a_100102880703_100000212096 [0,1,0,0,0,0|2,0,1]=4 295 B14R0.304 CC(=CCCC(C)CCN[C@H](C)CO)C 2230a_100000737577_100009814015 [0,1,0,0,0,0|1,0,2]=4 296 B14R0.304 CC(=CCCC(C)CCN[C@H](C)CO)C 269862a_100000737577_100000212096 [0,1,0,0,0,0|1,0,2]=4 297 B14R0.304 CC(=CCCC(C)CCN[C@H](C)CO)C 270004a_100000737577_100000212096 [0,1,0,0,0,0|1,0,2]=4 298 B14R0.304 CC(=CCCC(C)CCOC(C)C#N)C 34a_100011218135_100009814015 [0,1,0,0,0,0|1,0,1]=3 299 B14R0.304 CC(=CCCC(C)CCOC(C)C#N)C 7a_100000017536_100000703298 [0,1,0,0,0,0|1,0,1]=3 300 B14R0.304 CC(=CCCC(C)CCOC(C)CF)C 34a_100016041109_100009814015 [0,1,0,0,0,0|1,0,1]=3 301 B14R0.304 CC(=CCCC(C)CCOC(C)CF)C 7a_100016041109_100009814015 [0,1,0,0,0,0|1,0,1]=3 302 B14R0.304 CC(=CCCC(C)CCOC(C)CN)C 34a_100000210904_100009814015 [0,1,0,0,0,0|1,0,1]=3 303 B14R0.304 CC(=CCCC(C)CCOC(C)CO)C 34a_100000017536_100012180447 [0,1,0,0,0,0|0,0,2]=3 304 B14R0.304 CC(=CCCC(C)CCOC(C)CO)C 7a_100000017536_100012180447 [0,1,0,0,0,0|0,0,2]=3 305 B14R0.304 CC(=CCCC(C)CCSC(C)C#N)C 62a_100000703298_100009814015 [0,1,0,0,0,0|1,1,1]=4 306 B14R0.304 CC(=CCCC(C)CCSC(C)C#N)C 62a_100009814015_100000703298 [0,1,0,0,0,0|1,1,1]=4 307 B14R0.304 CC(=CCCC(C)CCSC(C)CO)C 62a_100012180447_100009814015 [0,1,0,0,0,0|0,1,2]=4 308 B14R0.304 CC(=CCCC(C)CCS[C@H](C)CO)C 62a_100009814015_100016084084 [0,1,0,0,0,0|0,1,2]=4 309 B14R0.304 CC(=CCCC(C)CCS[C@H](C)CO)C 62a_100016084084_100009814015 [0,1,0,0,0,0|0,1,2]=4 310 B14R0.304 CC(C)CCCC(C)CCNC(=O)CO 240690a_102516457229_100000210174 [0,1,0,0,0,0|1,0,2]=4 311 B14R0.304 CC(C)CCCC(C)CCNC(=O)CO 527a_102516457229_100000210174 [0,1,0,0,0,0|1,0,2]=4 312 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210414 [0,1,0,0,0,0|1,0,2]=4 313 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210414 [0,1,0,0,0,0|1,0,2]=4 314 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210414 [0,1,0,0,0,0|1,0,2]=4 315 B14R0.304 CCC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100000210414 [0,1,0,0,0,0|1,0,2]=4 316 B14R0.304 CCC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100000210414 [0,1,0,0,0,0|1,0,2]=4 317 B14R0.304 CCC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100000210414 [0,1,0,0,0,0|1,0,2]=4 318 B14R0.304 CCC(=O)NN=CC(C)CCC=C(C)C 4a_100000183195_100000033009 [0,1,0,0,0,0|2,0,1]=4 319 B14R0.304 CCC(C)NCCC(C)CCC=C(C)C 2230a_100000209981_100009814015 [0,1,0,0,0,0|2,0,1]=4 320 B14R0.304 CCC(C)NCCC(C)CCC=C(C)C 269862a_100000209981_100000212096 [0,1,0,0,0,0|2,0,1]=4 321 B14R0.304 CCC(C)NCCC(C)CCC=C(C)C 270004a_100000209981_100000212096 [0,1,0,0,0,0|2,0,1]=4 322 B14R0.304 CCC(C)OCCC(C)CCC=C(C)C 34a_100000017536_100011215416 [0,1,0,0,0,0|1,0,1]=3 323 B14R0.304 CCC(C)OCCC(C)CCC=C(C)C 7a_100000017536_100000758301 [0,1,0,0,0,0|1,0,1]=3 324 B14R0.304 CCC(C)OCCC(C)CCC=C(C)C 7a_100000210228_100009814015 [0,1,0,0,0,0|1,0,1]=3 325 B14R0.304 CCC(C)SCCC(C)CCC=C(C)C 62a_100000758301_100009814015 [0,1,0,0,0,0|1,1,1]=4 326 B14R0.304 CCC(C)SCCC(C)CCC=C(C)C 62a_100009814015_100000758301 [0,1,0,0,0,0|1,1,1]=4 327 B14R0.304 CNC(=O)CCNC(C)CCC=C(C)C 270004a_100000738227_100000765506 [0,1,0,0,0,0|2,0,0]=3 328 B14R0.304 CNC(=O)CCOC(C)CCC=C(C)C 34a_100102619829_100012179268 [0,1,0,0,0,0|2,0,0]=3 329 B14R0.304 CNC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000737683 [0,1,0,0,0,0|2,0,0]=3 330 B14R0.304 CNC(=O)CNCC(C)CCC=C(C)C 270004a_100000693194_100000033009 [0,1,0,0,0,0|2,0,0]=3 331 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_100102657272_200020676162 [0,1,0,0,0,0|1,0,2]=4 332 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_200020676162_106832991635 [0,1,0,0,0,0|1,0,2]=4 333 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_100102657272_200020676162 [0,1,0,0,0,0|1,0,2]=4 334 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100102657272 [0,1,0,0,0,0|1,0,2]=4 335 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_106832991638_200020676162 [0,1,0,0,0,0|1,0,2]=4 336 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100102657272 [0,1,0,0,0,0|1,0,2]=4 337 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 2708a_100102657272_102516457229 [0,1,0,0,0,0|1,0,2]=4 338 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 2708a_102516457229_106832991635 [0,1,0,0,0,0|1,0,2]=4 339 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 273464a_100102657272_102516457229 [0,1,0,0,0,0|1,0,2]=4 340 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 273464a_102516457229_100102657272 [0,1,0,0,0,0|1,0,2]=4 341 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 512a_102516457229_100102657272 [0,1,0,0,0,0|1,0,2]=4 342 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 512a_106832991638_102516457229 [0,1,0,0,0,0|1,0,2]=4 343 B14R0.304 CNC(=O)OCCN(C)CCCN(C)C 269982a_100000225831_200011997002 [0,1,0,0,0,0|2,0,1]=4 344 B14R0.304 COC(=O)CCCC(=O)CCC=C(C)C 1458a_100000239890_100011217483 [0,1,0,0,0,0|2,0,1]=4 345 B14R0.304 COC(=O)CCCN(C)CCC=C(C)C 269982a_100000739225_100011217483 [0,1,0,0,0,0|2,0,0]=3 346 B14R0.304 COC(=O)CCCN(C)CCOC(=O)C 269982a_100000739225_100009814007 [0,1,0,0,0,0|2,0,1]=4 347 B14R0.304 COC(=O)CCOC(C)CCC=C(C)C 34a_100102619829_100000742370 [0,1,0,0,0,0|2,0,0]=3 348 B14R0.304 COC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000204255 [0,1,0,0,0,0|2,0,0]=3 349 B14R0.304 COC(C)SCCC(C)CCC=C(C)C 62a_100009814015_100009879195 [0,1,0,0,0,0|0,1,2]=4 350 B14R0.304 COC(C)SCCC(C)CCC=C(C)C 62a_100009879195_100009814015 [0,1,0,0,0,0|0,1,2]=4 351 B14R0.426 C=C(C)CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000748629 [0,1,0,0,0,0|2,0,1]=4 352 B14R0.426 C=C(C)CN(C)CC(C)CCC=C(C)C 270004a_100000225649_100000033009 [0,1,0,0,0,0|3,0,0]=4 353 B14R0.426 CC(=CCCC(C)CC(=O)CC(=O)N)C 1458a_100000043202_100000187820 [0,1,0,0,0,0|2,0,1]=4 354 B14R0.426 CC(=CCCC(C)CC(=O)CC(=O)[O-])C 1458a_100000043202_100020667443 [0,1,0,0,0,0|2,0,1]=4 355 B14R0.426 CC(=CCCC(C)CN(C)CC(=O)N)C 270004a_100000739694_100000033009 [0,1,0,0,0,0|3,0,0]=4 356 B14R0.1421 CC(=CCCC(C)N(C)CCC(=O)N)C 270004a_100000730477_100000765506 [0,1,0,0,0,0|3,0,0]=4 357 B14R0.1421 CC(=O)OCC(C)N(C)CCCN(C)C 270004a_100000225831_100000000629 [0,1,0,0,0,0|2,0,1]=4 358 B14R0.1421 CC(=O)SC[C@@H](C)C(=O)CCC=C(C)C 1458a_200015407212_100011217483 [0,1,0,0,0,0|1,1,1]=4 359 B14R0.2672 CC(=O)OCCS(=O)(=O)NCC=C(C)C 270084a_100000718196_200000119425 [0,1,0,0,0,0|3,0,0]=4 360 B14R0.2672 CC(=O)OCCS(=O)(=O)NCC=C(C)C 274078a_100000718196_200000119425 [0,1,0,0,0,0|3,0,0]=4 361 B14R0.2691 CC(=CCCC(C)CCNC(C)(C)C)C 2230a_100000715429_100009814015 [0,1,0,0,0,0|2,0,1]=4 362 B14R0.2691 CC(=CCCC(C)CCOC(C)(C)C)C 34a_100000017536_100000210625 [0,1,0,0,0,0|1,0,1]=3 363 B14R0.2691 CC(=CCCC(C)CCOC(C)(C)C)C 34a_100015890283_100009814015 [0,1,0,0,0,0|1,0,1]=3 364 B14R0.2691 CC(=CCCC(C)CCOC(C)(C)C)C 7a_100015890283_100009814015 [0,1,0,0,0,0|1,0,1]=3 365 B14R0.2691 CC(=CCCC(C)CCOC(F)(F)F)C 34a_100000017536_200103152311 [0,1,0,0,0,0|2,0,1]=4 366 B14R0.2691 CC(=CCCC(C)CCOC(F)(F)F)C 7a_100000017536_200000243211 [0,1,0,0,0,0|2,0,1]=4 367 B14R0.2691 CC(=CCCC(C)CCSC(C)(C)C)C 62a_100000211941_100009814015 [0,1,0,0,0,0|1,1,1]=4 368 B14R0.2691 CC(=CCCC(C)CCSC(C)(C)C)C 62a_100009814015_100000211941 [0,1,0,0,0,0|1,1,1]=4 369 B14R0.2691 CC(=CCCC(C)NCCS(=O)(=O)C)C 270004a_100000740961_100000765506 [0,1,0,0,0,0|3,0,0]=4 370 B14R0.2691 CC(=CCCC(C)OCCS(=O)(=O)C)C 34a_100102619829_100000731031 [0,1,0,0,0,0|3,0,0]=4 371 B14R0.2691 CC(=CCCC(C)OCCS(=O)(=O)C)C 7a_100102619829_100000230027 [0,1,0,0,0,0|3,0,0]=4 372 B14R0.2691 CC(=CCCN(C)CCOC(C)(C)C)C 2230a_100000690421_100011217483 [0,1,0,0,0,0|2,0,1]=4 373 B14R0.2691 CC(=CCCN(C)CCOC(C)(C)C)C 269982a_100000690421_100011217483 [0,1,0,0,0,0|2,0,1]=4 374 B14R0.2691 CC(=O)OCCN(C)CCOC(C)(C)C 269982a_100000690421_100009814007 [0,1,0,0,0,0|2,0,1]=4 375 B14R0.4266 CCN(CCCN(C)C)CCOC(=O)C 269982a_100000225837_100009814007 [0,1,0,0,0,0|2,0,1]=4 376 B14R1.164 CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_100025773825_100015343762 [0,0,0,1,0,0|1,0,2]=4 377 B14R1.164 CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100025773825_100015343762 [0,0,0,1,0,0|1,0,2]=4 378 B14R1.164 CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100025773825_100015343762 [0,0,0,1,0,0|1,0,2]=4 379 B14R1.1456 CC(=CCCN1CC(C1)CC(=O)O)C 269956a_100016993960_100011217483 [0,0,0,1,0,0|3,0,0]=4 380 B14R1.1456 CC(=CCCN1CC(C1)OC(C)C)C 2230a_100000698322_100011217483 [0,0,0,1,0,0|2,0,1]=4 381 B14R1.1456 CC(=CCCN1CC(C1)OC(C)C)C 269982a_100000698322_100011217483 [0,0,0,1,0,0|2,0,1]=4 382 B14R1.1456 CC(=CCCN1CC(C1)OC(C)C)C 34a_100000698322_100011217483 [0,0,0,1,0,0|2,0,1]=4 383 B14R1.1456 CC(=O)CCCN1CC(C1)OC(=O)C 269982a_100016994906_100011215641 [0,0,0,1,0,0|2,0,1]=4 384 B14R1.1456 CC(=O)NCCN1CC(C1)OC(=O)C 269982a_100016994906_100000189650 [0,0,0,1,0,0|3,0,0]=4 385 B14R1.1456 CC(=O)OC1CN(C1)CCC=C(C)C 269982a_100016994906_100011217483 [0,0,0,1,0,0|1,0,0]=2 386 B14R1.1456 CC(=O)OC1CN(C1)CCC=C(F)F 269982a_100016994906_200009816681 [0,0,0,1,0,0|3,0,0]=4 387 B14R1.1456 CC(=O)OC1CN(C1)CCCC(C)C 269982a_100016994906_100011214892 [0,0,0,1,0,0|1,0,2]=4 388 B14R1.1456 CC(=O)OC1CN(C1)CCCN(C)C 269982a_100016994906_100000757444 [0,0,0,1,0,0|2,0,1]=4 389 B14R1.1456 CC(=O)OC1CN(C1)CCOC(C)C 269982a_100016994906_100000211751 [0,0,0,1,0,0|2,0,1]=4 390 B14R1.1456 CC(=O)OC1CN(C1)CCSC(C)C 269982a_100016994906_100000730970 [0,0,0,1,0,0|2,0,1]=4 391 B14R1.1456 CC(=O)OCCN1CC(C1)CC(C)C 269982a_214813039686_100009814007 [0,0,0,1,0,0|1,0,2]=4 392 B14R1.1456 CC(=O)OCCN1CC(C1)CC(C)C 34a_214813039686_100009814007 [0,0,0,1,0,0|1,0,2]=4 393 B14R1.1456 CC(=O)OCCN1CC(C1)CN(C)C 269982a_100015199603_100009814007 [0,0,0,1,0,0|2,0,1]=4 394 B14R1.1456 CC(=O)OCCN1CC(C1)OC(=O)C 269982a_100016994906_100009814007 [0,0,0,1,0,0|3,0,0]=4 395 B14R1.1456 CC(=O)OCCN1CC(C1)OC(C)C 269982a_100000698322_100009814007 [0,0,0,1,0,0|2,0,1]=4 396 B14R1.1456 CC(=O)OCCN1CC(C1)OC(C)C 34a_100000698322_100009814007 [0,0,0,1,0,0|2,0,1]=4 397 B14R1.1470 CC(=CCCC(C)CCNC1CC1)C 34a_100000212008_100009814015 [0,0,0,1,0,0|2,0,1]=4 398 B14R1.1470 CC(=CCCC(C)CCOC1CC1)C 34a_100000017536_100000211595 [0,0,0,1,0,0|1,0,1]=3 399 B14R1.1470 CC(=CCCC(C)CCSC1CC1)C 62a_100009814015_100000211595 [0,0,0,1,0,0|1,1,1]=4 400 B14R1.4268 CC(=CCCC(=O)C1CNC(=O)C1)C 1458a_100000747279_100011217483 [0,0,0,1,0,0|2,0,1]=4 401 B14R1.4268 CC(=O)OCCN(C)C1CCN(C1)C 269982a_103436538152_100009814007 [0,0,0,1,0,0|2,0,1]=4 402 B14R1.4917 CC(=CCCN1CCNC(=O)CC1)C 2230a_100000698595_100011217483 [0,0,0,1,0,0|2,0,0]=3 403 B14R1.4917 CC(=CCCN1CCNC(=O)CC1)C 269982a_100000698595_100011217483 [0,0,0,1,0,0|2,0,0]=3 404 B14R1.4917 CC(=O)OCCN1CCCC(CC1)C 269982a_100025706717_100009814007 [0,0,0,1,0,0|1,0,2]=4 405 B14R1.4917 CC(=O)OCCN1CCCC(CC1)C 34a_100025706717_100009814007 [0,0,0,1,0,0|1,0,2]=4 406 B14R1.4917 CC(=O)OCCN1CCCN(CC1)C 269982a_100000211313_100009814007 [0,0,0,1,0,0|2,0,1]=4 407 B14R1.4917 CC(=O)OCCN1CCNC(=O)CC1 269982a_100000698595_100009814007 [0,0,0,1,0,0|3,0,0]=4 408 B14R1.5035 C=C1CC(C1)NC(C)CCC=C(C)C 270004a_100132301982_100000765506 [0,0,0,1,0,0|3,0,0]=4 409 B14R1.6314 CC(=CCCN1CCC(C1)C(=O)N)C 2230a_100000752358_100011217483 [0,0,0,1,0,0|3,0,0]=4 410 B14R1.6314 CC(=CCCN1CCC(C1)C(=O)N)C 269982a_100000752358_100011217483 [0,0,0,1,0,0|3,0,0]=4 411 B14R1.6314 CC(=CCCN1CCC(C1)C(=O)N)C 34a_100000752358_100011217483 [0,0,0,1,0,0|3,0,0]=4 412 B14R1.6314 CC(=CCN[C@H]1CC[C@H](C1)C(=O)O)C 269956a_100015195206_100000761012 [0,0,0,1,0,0|3,0,0]=4 413 B14R1.6314 CC(=O)N1CCC(C1)NCC=C(C)C 2230a_100000705975_100000761012 [0,0,0,1,0,0|2,0,0]=3 414 B14R1.6314 CC(=O)N1CC[C@@H](C1)OCC=C(C)C 7a_100012000934_100000761012 [0,0,0,1,0,0|2,0,0]=3 415 B14R1.6314 CC(=O)OCCN1CC[C@@H](C1)N(C)C 269982a_100016988096_100009814007 [0,0,0,1,0,0|2,0,1]=4 416 B14R1.6385 CC(=CCCN1CCOC(C1)(C)C)C 2230a_100000738910_100011217483 [0,0,0,1,0,0|2,0,1]=4 417 B14R1.6385 CC(=CCCN1CCOC(C1)(C)C)C 269982a_100000738910_100011217483 [0,0,0,1,0,0|2,0,1]=4 418 B14R1.6385 CC(=CCCN1CCOC(C1)(C)C)C 34a_100000738910_100011217483 [0,0,0,1,0,0|2,0,1]=4 419 B14R1.6385 CC(=CCNC1CCOC(C1)(C)C)C 2230a_100000696200_100000761012 [0,0,0,1,0,0|2,0,1]=4 420 B14R1.6385 CC(=CCNC1CCOC(C1)(C)C)C 270004a_100000718196_100000755756 [0,0,0,1,0,0|2,0,1]=4 421 B14R1.6385 CC(=CCNC1CCOC(C1)(C)C)C 34a_100000718196_100010191092 [0,0,0,1,0,0|2,0,1]=4 422 B14R1.6385 CC(=CCOC1CCOC(C1)(C)C)C 34a_100000693217_100000761012 [0,0,0,1,0,0|2,0,1]=4 423 B14R1.6385 CC(=CCOC1CCOC(C1)(C)C)C 34a_100000753907_100010191092 [0,0,0,1,0,0|2,0,1]=4 424 B14R1.6385 CC(=CCOC1CCOC(C1)(C)C)C 7a_100000693217_100000761012 [0,0,0,1,0,0|2,0,1]=4 425 B14R1.6385 CC(=CCSC1CCOC(C1)(C)C)C 62a_100000761012_100010191092 [0,0,0,1,0,0|2,0,1]=4 426 B14R1.6385 CC(=CCSC1CCOC(C1)(C)C)C 62a_100010191092_100000761012 [0,0,0,1,0,0|2,0,1]=4 427 B14R1.6385 CC(=O)OCCN1CCCC(C1)(C)C 269982a_100000716857_100009814007 [0,0,0,1,0,0|1,0,2]=4 428 B14R1.6385 CC(=O)OCCN1CCCC(C1)(C)C 34a_100000716857_100009814007 [0,0,0,1,0,0|1,0,2]=4 429 B14R1.6385 CC(=O)OCCN1CCOC(C1)(C)C 269982a_100000738910_100009814007 [0,0,0,1,0,0|2,0,1]=4 430 B14R1.6385 CC(=O)OCCN1CCOC(C1)(C)C 34a_100000738910_100009814007 [0,0,0,1,0,0|2,0,1]=4 431 B14R1.6385 CC(=O)OCOC1CCOC(C1)(C)C 34a_100000693217_100009813279 [0,0,0,1,0,0|2,0,1]=4 432 B14R1.6385 CC(=O)OCSC1CCOC(C1)(C)C 62a_100000076356_100010191092 [0,0,0,1,0,0|2,0,1]=4 433 B14R1.6385 CC(=O)OCSC1CCOC(C1)(C)C 62a_100010191092_100000076356 [0,0,0,1,0,0|2,0,1]=4 434 B12R0.44 C=C(C)CCC(=O)CCC=C(C)C 1458a_200000688413_100011217483 [0,0,0,0,1,0|2,0,1]=4 435 B12R0.44 C=C(C)CCC(=O)CCOC(=O)C 1458a_200000688413_100009814007 [0,0,0,0,1,0|1,0,2]=4 436 B12R0.44 C=C(C)CCC(C)NCC=C(C)C 270004a_100000718196_100011215600 [0,0,0,0,1,0|2,0,0]=3 437 B12R0.44 C=C(C)COC(C)CCC=C(C)C 34a_100102619829_100000748629 [0,0,0,0,1,0|2,0,0]=3 438 B12R0.44 C=C(C)COC(C)CCC=C(C)C 7a_100102619829_100000748629 [0,0,0,0,1,0|2,0,0]=3 439 B12R0.44 C=C(F)COC(C)CCC=C(C)C 34a_100102619829_100009893438 [0,0,0,0,1,0|2,0,1]=4 440 B12R0.44 C=C(F)COC(C)CCC=C(C)C 7a_100102619829_100000042424 [0,0,0,0,1,0|2,0,1]=4 441 B12R0.44 CC(=CCC(=O)CCOC(=O)N)C 1458a_100011220947_200011214921 [0,0,0,0,1,0|2,0,1]=4 442 B12R0.44 CC(=CCCC(=O)CCC(=O)N)C 1458a_100011215257_100011217483 [0,0,0,0,1,0|2,0,1]=4 443 B12R0.44 CC(=CCCC(C)CCN(C)C)C 2230a_100102631434_100009814015 [0,0,0,0,1,0|2,0,0]=3 444 B12R0.44 CC(=CCCC(C)CCN(C)C)C 269982a_100102631434_100009814015 [0,0,0,0,1,0|2,0,0]=3 445 B12R0.44 CC(=CCCC(C)CCN(C)C)C 270004a_100102631434_100000212096 [0,0,0,0,1,0|2,0,0]=3 446 B12R0.44 CC(=CCCC(C)NCC(C)C)C 270004a_100000210953_100000765506 [0,0,0,0,1,0|2,0,1]=4 447 B12R0.44 CC(=CCCC(C)NCC(C)O)C 270004a_100000210904_100000765506 [0,0,0,0,1,0|1,0,2]=4 448 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 34a_100102619829_100000187820 [0,0,0,0,1,0|2,0,0]=3 449 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 7a_100102619829_100000187820 [0,0,0,0,1,0|2,0,0]=3 450 B12R0.44 CC(=CCCC(C)OCC(=O)[O-])C 34a_100102619829_100020667443 [0,0,0,0,1,0|2,0,0]=3 451 B12R0.44 CC(=CCCC(C)OCC(C)C)C 34a_100102619829_100000210624 [0,0,0,0,1,0|2,0,1]=4 452 B12R0.44 CC(=CCCC(C)OCC(C)C)C 7a_100102619829_100000210760 [0,0,0,0,1,0|2,0,1]=4 453 B12R0.44 CC(=CCCC(C)OCC(C)O)C 34a_100102619829_100011218427 [0,0,0,0,1,0|1,0,2]=4 454 B12R0.44 CC(=CCCC(C)OCC(C)O)C 7a_100102619829_100011218427 [0,0,0,0,1,0|1,0,2]=4 455 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 34a_100102619829_100009817552 [0,0,0,0,1,0|1,0,2]=4 456 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 7a_100102619829_100009817552 [0,0,0,0,1,0|1,0,2]=4 457 B12R0.44 CC(=CCCC(C)OC[N+](=O)[O-])C 34a_100102619829_100000761209 [0,0,0,0,1,0|3,0,0]=4 458 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 2230a_100000730477_100011217483 [0,0,0,0,1,0|2,0,0]=3 459 B12R0.44 CC(=CCCN(C)CCC(C)C)C 2230a_100000742789_100011217483 [0,0,0,0,1,0|2,0,1]=4 460 B12R0.44 CC(=CCCN(C)CCC(C)C)C 269982a_100000742789_100011217483 [0,0,0,0,1,0|2,0,1]=4 461 B12R0.44 CC(=CCCN(C)CCN(C)C)C 269982a_100000225618_100011217483 [0,0,0,0,1,0|3,0,0]=4 462 B12R0.44 CC(=CCN(C)CCCC(=O)O)C 269956a_100000719178_100000761012 [0,0,0,0,1,0|3,0,0]=4 463 B12R0.44 CC(=CCNC(C)CCC(C)C)C 2230a_100138410893_100000761012 [0,0,0,0,1,0|2,0,1]=4 464 B12R0.44 CC(=CCNC(C)CCC(C)C)C 270004a_100000718196_100000210476 [0,0,0,0,1,0|2,0,1]=4 465 B12R0.44 CC(=CCNC(C)CCC(C)C)C 34a_100000718196_100011261404 [0,0,0,0,1,0|2,0,1]=4 466 B12R0.44 CC(=CCOC(C)CCC(C)C)C 34a_100000753907_100011261404 [0,0,0,0,1,0|2,0,1]=4 467 B12R0.44 CC(=CCOC(C)CCC(C)C)C 34a_100011215350_100000761012 [0,0,0,0,1,0|2,0,1]=4 468 B12R0.44 CC(=CCOC(C)CCC(C)C)C 7a_100011215350_100000761012 [0,0,0,0,1,0|2,0,1]=4 469 B12R0.44 CC(=CCSC(C)CCC(C)C)C 62a_100000761012_100011261404 [0,0,0,0,1,0|2,0,1]=4 470 B12R0.44 CC(=CCSC(C)CCC(C)C)C 62a_100011261404_100000761012 [0,0,0,0,1,0|2,0,1]=4 471 B12R0.44 CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000070787_100016991246 [0,0,0,0,1,0|0,0,2]=3 472 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [0,0,0,0,1,0|0,0,0]=1 473 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,0,0,0,1,0|0,0,2]=3 474 B12R0.44 CC(=O)CCCC(=O)CC=C(C)C 1458a_100011220947_100011215641 [0,0,0,0,1,0|2,0,1]=4 475 B12R0.44 CC(=O)CCCN(C)CCC(C)C 269982a_100000742789_100011215641 [0,0,0,0,1,0|2,0,1]=4 476 B12R0.44 CC(=O)CCCN(C)CCN(C)C 269982a_100000225618_100011215641 [0,0,0,0,1,0|3,0,0]=4 477 B12R0.44 CC(=O)CCN(C)CCCN(C)C 269982a_100000225831_100000053229 [0,0,0,0,1,0|2,0,1]=4 478 B12R0.44 CC(=O)CCOC(C)CCC(C)C 34a_100000759926_100011261404 [0,0,0,0,1,0|2,0,1]=4 479 B12R0.44 CC(=O)CCOC(C)CCC(C)C 7a_100011215350_100000053229 [0,0,0,0,1,0|2,0,1]=4 480 B12R0.44 CC(=O)CCSC(C)CCC(C)C 62a_100000053229_100011261404 [0,0,0,0,1,0|2,0,1]=4 481 B12R0.44 CC(=O)CCSC(C)CCC(C)C 62a_100011261404_100000053229 [0,0,0,0,1,0|2,0,1]=4 482 B12R0.44 CC(=O)NCC(=O)CCC=C(C)C 1458a_100000194580_100011217483 [0,0,0,0,1,0|2,0,1]=4 483 B12R0.44 CC(=O)NCCC(=O)CC=C(C)C 1458a_100000183196_100000761012 [0,0,0,0,1,0|2,0,1]=4 484 B12R0.44 CC(=O)NCCC(=O)CC=C(C)C 1458a_100011220947_100000189650 [0,0,0,0,1,0|2,0,1]=4 485 B12R0.44 CC(=O)NCCN(C)CCC(C)C 2230a_100000742789_100000189650 [0,0,0,0,1,0|2,0,1]=4 486 B12R0.44 CC(=O)NCCN(C)CCC(C)C 269982a_100000742789_100000189650 [0,0,0,0,1,0|2,0,1]=4 487 B12R0.44 CC(=O)NCCN(C)CCN(C)C 269982a_100000225618_100000189650 [0,0,0,0,1,0|3,0,0]=4 488 B12R0.44 CC(=O)NN=C(C)CCC=C(C)C 4a_100000189765_100000765506 [0,0,0,0,1,0|2,0,1]=4 489 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [0,0,0,0,1,0|1,0,1]=3 490 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 1626a_100000718196_100000183556 [0,0,0,0,1,0|2,0,1]=4 491 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 527a_100000718196_100000183556 [0,0,0,0,1,0|2,0,1]=4 492 B12R0.44 CC(=O)OCC(C)NCC=C(C)C 270004a_100000718196_100000000629 [0,0,0,0,1,0|1,0,0]=2 493 B12R0.44 CC(=O)OCC(C)NCCC(C)C 270004a_100000210545_100000000629 [0,0,0,0,1,0|1,0,2]=4 494 B12R0.44 CC(=O)OCC(C)NCCN(C)C 270004a_100000210585_100000000629 [0,0,0,0,1,0|2,0,1]=4 495 B12R0.44 CC(=O)OCCC(=O)CC=C(C)C 1458a_100011220947_100009814007 [0,0,0,0,1,0|1,0,1]=3 496 B12R0.44 CC(=O)OCCC(=O)CCC(C)C 1458a_100000181311_100009814007 [0,0,0,0,1,0|1,0,2]=4 497 B12R0.44 CC(=O)OCCC(=O)CC[S+](C)C 1458a_100009452791_100009814007 [0,0,0,0,1,0|2,0,1]=4 498 B12R0.44 CC(=O)OCCN(C)CCC(C)C 269982a_100000742789_100009814007 [0,0,0,0,1,0|1,0,1]=3 499 B12R0.44 CC(=O)OCCN(C)CCN(C)C 269982a_100000225618_100009814007 [0,0,0,0,1,0|2,0,0]=3 500 B12R0.44 CC(=O)OCN(C)CCCN(C)C 269982a_100000225831_100000076356 [0,0,0,0,1,0|2,0,1]=4 501 B12R0.44 CC(=O)OCOC(C)CCC(C)C 34a_100011215350_100009813279 [0,0,0,0,1,0|1,0,1]=3 502 B12R0.44 CC(=O)OCSC(C)CCC(C)C 62a_100000076356_100011261404 [0,0,0,0,1,0|1,0,1]=3 503 B12R0.44 CC(=O)OCSC(C)CCC(C)C 62a_100011261404_100000076356 [0,0,0,0,1,0|1,0,1]=3 504 B12R0.44 CC(=O)SCC(=O)CCC=C(C)C 1458a_100000049016_100011217483 [0,0,0,0,1,0|1,1,1]=4 505 B12R0.44 CC(=O)SCCC(=O)CC=C(C)C 1458a_100000048949_100000761012 [0,0,0,0,1,0|1,1,1]=4 506 B12R0.44 CC(C)CCN(C)CCOC(=O)N 269982a_100000742789_200011214921 [0,0,0,0,1,0|2,0,1]=4 507 B12R0.44 CN(C)CCN(C)CCOC(=O)N 269982a_100000225618_200011214921 [0,0,0,0,1,0|3,0,0]=4 508 B14R0.67 C=C(C)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000748629 [0,0,0,0,0,1|1,0,2]=4 509 B14R0.67 C=C(C)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000748629 [0,0,0,0,0,1|1,0,2]=4 510 B14R0.67 C=C(C)COC/C=C(\C)/CCC=C(C)C 34a_100000210245_100016991246 [0,0,0,0,0,1|1,0,2]=4 511 B14R0.67 C=C(C)COCCC(C)CCC=C(C)C 34a_100000017536_100000748629 [0,0,0,0,0,1|1,0,0]=2 512 B14R0.67 C=C(C)COCCC(C)CCC=C(C)C 34a_100000210245_100009814015 [0,0,0,0,0,1|1,0,0]=2 513 B14R0.67 C=C(C)COCCC(C)CCC=C(C)C 7a_100000017536_100000748629 [0,0,0,0,0,1|1,0,0]=2 514 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 34a_100000015991_100000748629 [0,0,0,0,0,1|1,0,2]=4 515 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 34a_100000210245_100009816328 [0,0,0,0,0,1|1,0,2]=4 516 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 7a_100000015991_100000748629 [0,0,0,0,0,1|1,0,2]=4 517 B14R0.67 C=C(C)CSCCC(C)CCC=C(C)C 62a_100000748629_100009814015 [0,0,0,0,0,1|1,1,0]=3 518 B14R0.67 C=C(C)CSCCC(C)CCC=C(C)C 62a_100009814015_100000211660 [0,0,0,0,0,1|1,1,0]=3 519 B14R0.67 C=C(F)COCCC(C)CCC=C(C)C 34a_100000017536_100009893438 [0,0,0,0,0,1|1,0,1]=3 520 B14R0.67 C=C(F)COCCC(C)CCC=C(C)C 34a_200010262243_100009814015 [0,0,0,0,0,1|1,0,1]=3 521 B14R0.67 C=C(F)COCCC(C)CCC=C(C)C 7a_100000017536_100000042424 [0,0,0,0,0,1|1,0,1]=3 522 B14R0.67 C=C(F)CSCCC(C)CCC=C(C)C 62a_100000042424_100009814015 [0,0,0,0,0,1|1,1,1]=4 523 B14R0.67 C=C(F)CSCCC(C)CCC=C(C)C 62a_100009814015_100000042424 [0,0,0,0,0,1|1,1,1]=4 524 B14R0.67 CC(=CCC/C(=C\COCC(=O)N)/C)C 34a_100016990311_100000187820 [0,0,0,0,0,1|1,0,2]=4 525 B14R0.67 CC(=CCC/C(=C\COCC(=O)N)/C)C 7a_100016990311_100000187820 [0,0,0,0,0,1|1,0,2]=4 526 B14R0.67 CC(=CCC/C(=C\COCC(=O)[O-])/C)C 34a_100016990311_100020667443 [0,0,0,0,0,1|1,0,2]=4 527 B14R0.67 CC(=CCCC(C)CCNCC(=O)N)C 2230a_100000711301_100009814015 [0,0,0,0,0,1|2,0,0]=3 528 B14R0.67 CC(=CCCC(C)CCNCC(=O)O)C 269956a_100016091260_100009814015 [0,0,0,0,0,1|2,0,0]=3 529 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 2230a_100000210953_100009814015 [0,0,0,0,0,1|2,0,1]=4 530 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 269862a_100000210953_100000212096 [0,0,0,0,0,1|2,0,1]=4 531 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 270004a_100000210953_100000212096 [0,0,0,0,0,1|2,0,1]=4 532 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 34a_100000210953_100009814015 [0,0,0,0,0,1|2,0,1]=4 533 B14R0.67 CC(=CCCC(C)CCNCC(C)O)C 2230a_100000210904_100009814015 [0,0,0,0,0,1|1,0,2]=4 534 B14R0.67 CC(=CCCC(C)CCNCC(C)O)C 269862a_100000210904_100000212096 [0,0,0,0,0,1|1,0,2]=4 535 B14R0.67 CC(=CCCC(C)CCNCC(C)O)C 270004a_100000210904_100000212096 [0,0,0,0,0,1|1,0,2]=4 536 B14R0.67 CC(=CCCC(C)CCNCC(C)O)C 34a_100000210904_100009814015 [0,0,0,0,0,1|1,0,2]=4 537 B14R0.67 CC(=CCCC(C)CCOCC(=O)N)C 34a_100000017536_100000187820 [0,0,0,0,0,1|1,0,0]=2 538 B14R0.67 CC(=CCCC(C)CCOCC(=O)N)C 7a_100000017536_100000187820 [0,0,0,0,0,1|1,0,0]=2 539 B14R0.67 CC(=CCCC(C)CCOCC(=O)[O-])C 34a_100000017536_100020667443 [0,0,0,0,0,1|1,0,0]=2 540 B14R0.67 CC(=CCCC(C)CCOCC(C)Br)C 34a_100012180447_100009814015 [0,0,0,0,0,1|1,0,1]=3 541 B14R0.67 CC(=CCCC(C)CCOCC(C)C)C 34a_100000017536_100000210624 [0,0,0,0,0,1|1,0,1]=3 542 B14R0.67 CC(=CCCC(C)CCOCC(C)C)C 34a_100000210257_100009814015 [0,0,0,0,0,1|1,0,1]=3 543 B14R0.67 CC(=CCCC(C)CCOCC(C)C)C 7a_100000017536_100000210760 [0,0,0,0,0,1|1,0,1]=3 544 B14R0.67 CC(=CCCC(C)CCOCC(C)F)C 34a_100015925927_100009814015 [0,0,0,0,0,1|1,0,1]=3 545 B14R0.67 CC(=CCCC(C)CCOCC(C)O)C 34a_100000017536_100011218427 [0,0,0,0,0,1|0,0,2]=3 546 B14R0.67 CC(=CCCC(C)CCOCC(C)O)C 7a_100000017536_100011218427 [0,0,0,0,0,1|0,0,2]=3 547 B14R0.67 CC(=CCCC(C)CCOCC(F)F)C 34a_100000017536_100011934356 [0,0,0,0,0,1|2,0,1]=4 548 B14R0.67 CC(=CCCC(C)CCOCC(F)F)C 34a_100000743014_100009814015 [0,0,0,0,0,1|2,0,1]=4 549 B14R0.67 CC(=CCCC(C)CCOCC(F)F)C 7a_100000017536_100011934356 [0,0,0,0,0,1|2,0,1]=4 550 B14R0.67 CC(=CCCC(C)CCOC[C@@H](C)Cl)C 34a_100016084084_100009814015 [0,0,0,0,0,1|1,0,1]=3 551 B14R0.67 CC(=CCCC(C)CCOC[C@@H](C)N)C 34a_100000737577_100009814015 [0,0,0,0,0,1|1,0,1]=3 552 B14R0.67 CC(=CCCC(C)CCOC[C@@H](C)O)C 34a_100000017536_100009817552 [0,0,0,0,0,1|0,0,2]=3 553 B14R0.67 CC(=CCCC(C)CCOC[C@@H](C)O)C 7a_100000017536_100009817552 [0,0,0,0,0,1|0,0,2]=3 554 B14R0.67 CC(=CCCC(C)CCOC[N+](=O)[O-])C 34a_100000017536_100000761209 [0,0,0,0,0,1|2,0,0]=3 555 B14R0.67 CC(=CCCC(C)CCSCC(=O)N)C 62a_100000747473_100009814015 [0,0,0,0,0,1|1,1,0]=3 556 B14R0.67 CC(=CCCC(C)CCSCC(=O)N)C 62a_100009814015_100000747473 [0,0,0,0,0,1|1,1,0]=3 557 B14R0.67 CC(=CCCC(C)CCSCC(=O)[O-])C 62a_100009814015_100020667443 [0,0,0,0,0,1|1,1,0]=3 558 B14R0.67 CC(=CCCC(C)CCSCC(=O)[O-])C 62a_100020667443_100009814015 [0,0,0,0,0,1|1,1,0]=3 559 B14R0.67 CC(=CCCC(C)CCSCC(C)C)C 62a_100000210624_100009814015 [0,0,0,0,0,1|1,1,1]=4 560 B14R0.67 CC(=CCCC(C)CCSCC(C)C)C 62a_100009814015_100000210760 [0,0,0,0,0,1|1,1,1]=4 561 B14R0.67 CC(=CCCC(C)CCSCC(C)O)C 62a_100009814015_100011218427 [0,0,0,0,0,1|0,1,2]=4 562 B14R0.67 CC(=CCCC(C)CCSCC(C)O)C 62a_100011218427_100009814015 [0,0,0,0,0,1|0,1,2]=4 563 B14R0.67 CC(=CCCC(C)CCSC[C@@H](C)O)C 62a_100009814015_100009817552 [0,0,0,0,0,1|0,1,2]=4 564 B14R0.67 CC(=CCCC(C)CCSC[C@@H](C)O)C 62a_100009817552_100009814015 [0,0,0,0,0,1|0,1,2]=4 565 B14R0.67 CC(=CCCC(C)CCSC[N+](=O)[O-])C 62a_100009814015_100000761209 [0,0,0,0,0,1|2,1,0]=4 566 B14R0.67 CC(=CCCC(C)CNCC=C(C)C)C 270004a_100000718196_100000033009 [0,0,0,0,0,1|2,0,0]=3 567 B14R0.67 CC(=CCCC(C)CNCCC(C)C)C 270004a_100000210545_100000033009 [0,0,0,0,0,1|2,0,1]=4 568 B14R0.67 CC(=CCCC(C)CNCCC(C)O)C 270004a_200000755665_100000033009 [0,0,0,0,0,1|1,0,2]=4 569 B14R0.67 CC(=CCCC(C)CNCCN(C)C)C 270004a_100000210585_100000033009 [0,0,0,0,0,1|3,0,0]=4 570 B14R0.67 CC(=CCCC(C)NCCCC(C)C)C 270004a_200000737386_100000765506 [0,0,0,0,0,1|2,0,1]=4 571 B14R0.67 CC(=CCCC(C)NCCCN(C)C)C 270004a_102531767803_100000765506 [0,0,0,0,0,1|3,0,0]=4 572 B14R0.67 CC(=CCCC(C)NCCCS(=O)C)C 270004a_200000753449_100000765506 [0,0,0,0,0,1|2,0,0]=3 573 B14R0.67 CC(=CCCC(C)NCCOC(C)C)C 270004a_100000701111_100000765506 [0,0,0,0,0,1|1,0,1]=3 574 B14R0.67 CC(=CCCC(C)NCCSC(C)C)C 270004a_100000731138_100000765506 [0,0,0,0,0,1|1,1,1]=4 575 B14R0.67 CC(=CCCC(C)OCCC=C(F)F)C 34a_100102619829_200009816681 [0,0,0,0,0,1|3,0,0]=4 576 B14R0.67 CC(=CCCC(C)OCCC=C(F)F)C 7a_100102619829_200009816681 [0,0,0,0,0,1|3,0,0]=4 577 B14R0.67 CC(=CCCC(C)OCCCC(=O)N)C 34a_100102619829_100102525003 [0,0,0,0,0,1|2,0,0]=3 578 B14R0.67 CC(=CCCC(C)OCCCC(=O)N)C 7a_100102619829_100102525003 [0,0,0,0,0,1|2,0,0]=3 579 B14R0.67 CC(=CCCC(C)OCCCC(C)C)C 34a_100102619829_100011214892 [0,0,0,0,0,1|2,0,1]=4 580 B14R0.67 CC(=CCCC(C)OCCCC(C)C)C 7a_100102619829_100011214892 [0,0,0,0,0,1|2,0,1]=4 581 B14R0.67 CC(=CCCC(C)OCCCC(C)O)C 34a_100102619829_200000718107 [0,0,0,0,0,1|1,0,2]=4 582 B14R0.67 CC(=CCCC(C)OCCCC(C)O)C 7a_100102619829_200000718107 [0,0,0,0,0,1|1,0,2]=4 583 B14R0.67 CC(=CCCC(C)OCCCN(C)C)C 7a_100102619829_100000757444 [0,0,0,0,0,1|3,0,0]=4 584 B14R0.67 CC(=CCCC(C)OCCNC(=O)N)C 7a_100102619829_200000034859 [0,0,0,0,0,1|2,0,0]=3 585 B14R0.67 CC(=CCCC(C)OCCOC(=O)N)C 34a_100102619829_200011214921 [0,0,0,0,0,1|1,0,0]=2 586 B14R0.67 CC(=CCCC(C)OCCOC(=O)N)C 7a_100102619829_200011214921 [0,0,0,0,0,1|1,0,0]=2 587 B14R0.67 CC(=CCCC(C)OCCOC(C)C)C 34a_100102619829_100000211751 [0,0,0,0,0,1|1,0,1]=3 588 B14R0.67 CC(=CCCC(C)OCCOC(C)C)C 7a_100102619829_100000211751 [0,0,0,0,0,1|1,0,1]=3 589 B14R0.67 CC(=CCCC(C)OCCSC(C)C)C 34a_100102619829_100000730970 [0,0,0,0,0,1|1,1,1]=4 590 B14R0.67 CC(=CCCC(C)OCCSC(C)C)C 7a_100102619829_100000730970 [0,0,0,0,0,1|1,1,1]=4 591 B14R0.67 CC(=CCCNC(C)CCCC(C)C)C 2230a_100000210607_100011217483 [0,0,0,0,0,1|2,0,1]=4 592 B14R0.67 CC(=CCCOC(C)CCC=C(C)C)C 34a_100102619829_100011217483 [0,0,0,0,0,1|2,0,0]=3 593 B14R0.67 CC(=CCCOC(C)CCC=C(C)C)C 7a_100102619829_100011217483 [0,0,0,0,0,1|2,0,0]=3 594 B14R0.67 CC(=CCCOC(C)CCCC(=O)[O-])C 7a_100000761597_100011217483 [0,0,0,0,0,1|2,0,0]=3 595 B14R0.67 CC(=CCCOC(C)CCCC(C)C)C 34a_200011218570_100011217483 [0,0,0,0,0,1|2,0,1]=4 596 B14R0.67 CC(=CCCOC(C)CCCC(C)C)C 7a_200011218570_100011217483 [0,0,0,0,0,1|2,0,1]=4 597 B14R0.67 CC(=CCNC(C)CCOCC(C)C)C 270004a_100000718196_200011216429 [0,0,0,0,0,1|2,0,1]=4 598 B14R0.67 CC(=O)CCCOC(C)CCC=C(C)C 34a_100102619829_100000685027 [0,0,0,0,0,1|1,0,0]=2 599 B14R0.67 CC(=O)CCCOC(C)CCC=C(C)C 7a_100102619829_100011215641 [0,0,0,0,0,1|1,0,0]=2 600 B14R0.67 CC(=O)CCCOC(C)CCCC(C)C 34a_200011218570_100000685027 [0,0,0,0,0,1|1,0,2]=4 601 B14R0.67 CC(=O)CCCOC(C)CCCC(C)C 7a_200011218570_100011215641 [0,0,0,0,0,1|1,0,2]=4 602 B14R0.67 CC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000211253_100016991246 [0,0,0,0,0,1|0,0,2]=3 603 B14R0.67 CC(=O)COCCC(C)CCC=C(C)C 34a_100000211253_100009814015 [0,0,0,0,0,1|0,0,0]=1 604 B14R0.67 CC(=O)COCCC(C)CCCC(C)C 34a_100000211253_100009816328 [0,0,0,0,0,1|0,0,2]=3 605 B14R0.67 CC(=O)NCCCC(=O)CCC=C(C)C 1458a_100000194741_100011217483 [0,0,0,0,0,1|2,0,1]=4 606 B14R0.67 CC(=O)NCCNC(C)CCCC(C)C 2230a_100000210607_100000189650 [0,0,0,0,0,1|1,0,2]=4 607 B14R0.67 CC(=O)NCCOC(C)CCC=C(C)C 7a_100102619829_100000189650 [0,0,0,0,0,1|1,0,0]=2 608 B14R0.67 CC(=O)NCCOC(C)CCCC(C)C 7a_200011218570_100000189650 [0,0,0,0,0,1|1,0,2]=4 609 B14R0.67 CC(=O)NN=CCC(C)CCC=C(C)C 4a_100000189765_100000212096 [0,0,0,0,0,1|1,0,1]=3 610 B14R0.67 CC(=O)OCCCN(C)CCCN(C)C 269982a_100000225831_100000042594 [0,0,0,0,0,1|2,0,1]=4 611 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 2708a_100000718196_100000724843 [0,0,0,0,0,1|2,0,1]=4 612 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 273464a_100000718196_100000724843 [0,0,0,0,0,1|2,0,1]=4 613 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 273464a_100000724843_100000718196 [0,0,0,0,0,1|2,0,1]=4 614 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 512a_100000718196_100000724843 [0,0,0,0,0,1|2,0,1]=4 615 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 512a_100000724843_100000718196 [0,0,0,0,0,1|2,0,1]=4 616 B14R0.67 CC(=O)OCCOC(C)CCC=C(C)C 34a_100102619829_100009814007 [0,0,0,0,0,1|0,0,0]=1 617 B14R0.67 CC(=O)OCCOC(C)CCC=C(C)C 7a_100102619829_100009814007 [0,0,0,0,0,1|0,0,0]=1 618 B14R0.67 CC(=O)OCCOC(C)CCCC(=O)[O-] 7a_100000761597_100009814007 [0,0,0,0,0,1|2,0,1]=4 619 B14R0.67 CC(=O)OCCOC(C)CCCC(C)C 34a_200011218570_100009814007 [0,0,0,0,0,1|0,0,2]=3 620 B14R0.67 CC(=O)OCCOC(C)CCCC(C)C 7a_200011218570_100009814007 [0,0,0,0,0,1|0,0,2]=3 621 B14R0.67 CC(C)CCCC(C)CCOCC(=O)N 34a_100000015991_100000187820 [0,0,0,0,0,1|1,0,2]=4 622 B14R0.67 CC(C)CCCC(C)CCOCC(=O)N 7a_100000015991_100000187820 [0,0,0,0,0,1|1,0,2]=4 623 B14R0.67 CC(C)CCCC(C)CCOCC(=O)[O-] 34a_100000015991_100020667443 [0,0,0,0,0,1|1,0,2]=4 624 B14R0.67 CC(C)CCCC(C)OCCOC(=O)N 34a_200011218570_200011214921 [0,0,0,0,0,1|1,0,2]=4 625 B14R0.67 CC(C)CCCC(C)OCCOC(=O)N 7a_200011218570_200011214921 [0,0,0,0,0,1|1,0,2]=4 626 B11R0.147 C=CCCC(=O)CCOC(=O)C 1458a_100000749702_100009814007 [2,0,0,0,0,0|1,0,1]=4 627 B11R0.147 C=CCCC(C)NCC=C(C)C 270004a_100000718196_100000762624 [2,0,0,0,0,0|1,0,1]=4 628 B11R0.147 C=CCCC(C)OCC=C(C)C 34a_100000765329_100000761012 [2,0,0,0,0,0|1,0,1]=4 629 B11R0.147 C=CCCC(C)OCC=C(C)C 7a_100000765329_100000761012 [2,0,0,0,0,0|1,0,1]=4 630 B11R0.147 C=CCCC(C)OCCC(=O)C 7a_100000765329_100000053229 [2,0,0,0,0,0|2,0,0]=4 631 B11R0.147 C=CCCC(C)OCOC(=O)C 34a_100000765329_100009813279 [2,0,0,0,0,0|1,0,0]=3 632 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [2,0,0,0,0,0|1,0,1]=4 633 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [2,0,0,0,0,0|1,0,1]=4 634 B11R0.147 C=CCCN(C)CCCC(=O)C 269982a_100020639649_100011215641 [2,0,0,0,0,0|2,0,0]=4 635 B11R0.147 C=CCCN(C)CCNC(=O)C 2230a_100020639649_100000189650 [2,0,0,0,0,0|2,0,0]=4 636 B11R0.147 C=CCCN(C)CCNC(=O)C 269982a_100020639649_100000189650 [2,0,0,0,0,0|2,0,0]=4 637 B11R0.147 C=CCCN(C)CCOC(=O)C 269982a_100020639649_100009814007 [2,0,0,0,0,0|1,0,0]=3 638 B11R0.147 C=CCCN(C)CCOC(=O)N 269982a_100020639649_200011214921 [2,0,0,0,0,0|2,0,0]=4 639 B11R0.147 C=CCNC(C)CCC=C(C)C 270004a_100020586998_100000765506 [2,0,0,0,0,0|1,0,1]=4 640 B11R0.147 C=CCOC(C)CCC=C(C)C 34a_100102619829_100015514636 [2,0,0,0,0,0|1,0,1]=4 641 B11R0.147 C=CCOC(C)CCC=C(C)C 7a_100102619829_100015514636 [2,0,0,0,0,0|1,0,1]=4 642 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [2,0,0,0,0,0|0,0,2]=4 643 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [2,0,0,0,0,0|0,0,2]=4 644 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [2,0,0,0,0,0|0,0,0]=2 645 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [2,0,0,0,0,0|0,0,0]=2 646 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [2,0,0,0,0,0|0,1,0]=3 647 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [2,0,0,0,0,0|0,1,0]=3 648 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [2,0,0,0,0,0|1,0,0]=3 649 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [2,0,0,0,0,0|1,0,0]=3 650 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 34a_100000015991_200025704644 [2,0,0,0,0,0|0,0,2]=4 651 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 7a_100000015991_200025704644 [2,0,0,0,0,0|0,0,2]=4 652 B11R0.147 CC=CCC(=O)CCOC(=O)C 1458a_100121576822_100009814007 [2,0,0,0,0,0|1,0,1]=4 653 B11R0.147 CCCCC(C)NCC=C(C)C 2230a_100000126638_100000761012 [2,0,0,0,0,0|1,0,1]=4 654 B11R0.147 CCCCC(C)NCC=C(C)C 270004a_100000718196_100000210087 [2,0,0,0,0,0|1,0,1]=4 655 B11R0.147 CCCCC(C)NCC=C(C)C 34a_100000718196_200011215066 [2,0,0,0,0,0|1,0,1]=4 656 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000687866_100000761012 [2,0,0,0,0,0|1,0,1]=4 657 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000753907_200011215066 [2,0,0,0,0,0|1,0,1]=4 658 B11R0.147 CCCCC(C)OCC=C(C)C 7a_100000687866_100000761012 [2,0,0,0,0,0|1,0,1]=4 659 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [2,0,0,0,0,0|1,0,1]=4 660 B11R0.147 CCCCC(C)SCC=C(C)C 62a_100000761012_200011215066 [2,0,0,0,0,0|1,0,1]=4 661 B11R0.147 CCCCC(C)SCC=C(C)C 62a_200011215066_100000761012 [2,0,0,0,0,0|1,0,1]=4 662 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [2,0,0,0,0,0|1,0,1]=4 663 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [2,0,0,0,0,0|1,0,1]=4 664 B11R0.147 CCCCN(C)CCC=C(C)C 2230a_100000207549_100011217483 [2,0,0,0,0,0|1,0,1]=4 665 B11R0.147 CCCCN(C)CCC=C(C)C 269982a_100000207549_100011217483 [2,0,0,0,0,0|1,0,1]=4 666 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [2,0,0,0,0,0|1,0,1]=4 667 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [2,0,0,0,0,0|1,0,1]=4 668 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [2,0,0,0,0,0|1,0,1]=4 669 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [2,0,0,0,0,0|1,0,1]=4 670 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [2,0,0,0,0,0|1,0,1]=4 671 B11R0.147 CCOCC(C)OCC=C(C)C 34a_100000718985_100000761012 [2,0,0,0,0,0|1,0,1]=4 672 B11R0.147 CCOCC(C)OCC=C(C)C 7a_100000718985_100000761012 [2,0,0,0,0,0|1,0,1]=4 673 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [2,0,0,0,0,0|1,0,0]=3 674 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [2,0,0,0,0,0|1,0,0]=3 675 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [2,0,0,0,0,0|1,0,0]=3 676 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [2,0,0,0,0,0|1,0,0]=3 677 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [2,0,0,0,0,0|1,0,0]=3 678 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [2,0,0,0,0,0|0,0,2]=4 679 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [2,0,0,0,0,0|0,0,2]=4 680 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [2,0,0,0,0,0|0,0,2]=4 681 B11R0.147 COCCC(=O)CCC=C(C)C 1458a_100000749529_100011217483 [2,0,0,0,0,0|1,0,1]=4 682 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [2,0,0,0,0,0|0,0,0]=2 683 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [2,0,0,0,0,0|0,0,0]=2 684 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [2,0,0,0,0,0|0,0,0]=2 685 B11R0.147 COCCC(C)CCCC(C)C 34a_100000015991_200000210301 [2,0,0,0,0,0|0,0,2]=4 686 B11R0.147 COCCC(C)CCCC(C)C 34a_100138415774_100009816328 [2,0,0,0,0,0|0,0,2]=4 687 B11R0.147 COCCC(C)CCCC(C)C 7a_100000015991_200000210301 [2,0,0,0,0,0|0,0,2]=4 688 B11R0.147 COCCC(C)NCC=C(C)C 270004a_100000718196_100000742357 [2,0,0,0,0,0|1,0,0]=3 689 B11R0.147 COCCN(C)CCC=C(C)C 2230a_100000743101_100011217483 [2,0,0,0,0,0|1,0,0]=3 690 B11R0.147 COCCN(C)CCC=C(C)C 269982a_100000743101_100011217483 [2,0,0,0,0,0|1,0,0]=3 691 B11R0.147 COCCN(C)CCOC(=O)C 269982a_100000743101_100009814007 [2,0,0,0,0,0|2,0,0]=4 692 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [2,0,0,0,0,0|0,1,0]=3 693 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [2,0,0,0,0,0|0,1,0]=3 694 B11R0.147 CSCCC(C)NCC=C(C)C 270004a_100000718196_100011217047 [2,0,0,0,0,0|1,1,0]=4 695 B11R0.147 CSCCN(C)CCC=C(C)C 2230a_100000686725_100011217483 [2,0,0,0,0,0|1,1,0]=4 696 B11R0.147 CSCCN(C)CCC=C(C)C 269982a_100000686725_100011217483 [2,0,0,0,0,0|1,1,0]=4 697 B11R0.147 CSCCN(C)CCOC(=O)C 269982a_100000686725_100009814007 [2,0,0,0,0,0|2,0,0]=4 698 B11R0.147 CSCOC(C)CCC=C(C)C 34a_100102619829_100011218213 [2,0,0,0,0,0|1,1,0]=4 699 B11R0.148 C/C=C/CCOCCC=C(C)C 34a_100016278192_100011217483 [2,0,0,0,0,0|2,0,0]=4 700 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [2,0,0,0,0,0|2,0,0]=4 701 B11R0.148 C/C=C/CCOCCOC(=O)C 34a_100016278192_100009814007 [2,0,0,0,0,0|1,0,0]=3 702 B11R0.148 C/C=C/CCOCCOC(=O)N 34a_100016278192_200011214921 [2,0,0,0,0,0|2,0,0]=4 703 B11R0.148 C/C=C/CNCCCNC(=O)C 34a_100000736810_100102629194 [2,0,0,0,0,0|2,0,0]=4 704 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [2,0,0,0,0,0|2,0,0]=4 705 B11R0.148 C/C=C/COCCCNC(=O)C 34a_100000752032_100102629194 [2,0,0,0,0,0|2,0,0]=4 706 B11R0.148 C/C=C/COCCCOC(=O)C 34a_100016270725_100000042594 [2,0,0,0,0,0|1,0,0]=3 707 B11R0.148 C/C=C/COCCCOC(=S)C 34a_100016270725_200135323944 [2,0,0,0,0,0|1,1,0]=4 708 B11R0.148 C/C=C/COCCCSC(=O)C 34a_100016270725_100000038929 [2,0,0,0,0,0|1,1,0]=4 709 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [2,0,0,0,0,0|2,0,0]=4 710 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [2,0,0,0,0,0|2,0,0]=4 711 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100000042594_100102629194 [2,0,0,0,0,0|1,0,0]=3 712 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100102629194_100000042594 [2,0,0,0,0,0|1,0,0]=3 713 B11R0.148 C/C=C/CSCCCOC(=S)C 62a_100102629194_200135323944 [2,0,0,0,0,0|1,1,0]=4 714 B11R0.148 C/C=C/CSCCCOC(=S)C 62a_200135323944_100102629194 [2,0,0,0,0,0|1,1,0]=4 715 B11R0.148 C/C=C/CSCCCSC(=O)C 62a_100000038929_100102629194 [2,0,0,0,0,0|1,1,0]=4 716 B11R0.148 C/C=C/CSCCCSC(=O)C 62a_100102629194_100000038929 [2,0,0,0,0,0|1,1,0]=4 717 B11R0.148 C=COCCCNCC=C(C)C 2230a_100000210767_100000761012 [2,0,0,0,0,0|1,0,1]=4 718 B11R0.148 C=COCCCNCC=C(C)C 34a_100000210767_100000761012 [2,0,0,0,0,0|1,0,1]=4 719 B11R0.148 C=COCCOCCC=C(C)C 34a_100000033082_100011217483 [2,0,0,0,0,0|1,0,1]=4 720 B11R0.148 C=COCCSCCC=C(C)C 62a_100000039644_100011217483 [2,0,0,0,0,0|1,0,1]=4 721 B11R0.148 C=COCCSCCC=C(C)C 62a_100011217483_100000039644 [2,0,0,0,0,0|1,0,1]=4 722 B11R0.148 CC(=CCCSCCCC=O)C 62a_100011217483_200011292268 [2,0,0,0,0,0|2,0,0]=4 723 B11R0.148 CC(=CCCSCCCC=O)C 62a_200011292268_100011217483 [2,0,0,0,0,0|2,0,0]=4 724 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000139335_100000761012 [2,0,0,0,0,0|2,0,0]=4 725 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000761012_100000139335 [2,0,0,0,0,0|2,0,0]=4 726 B11R0.148 CC=CCCCOCC=C(C)C 34a_100020645299_100000761012 [2,0,0,0,0,0|2,0,0]=4 727 B11R0.148 CC=CCCCOCOC(=O)C 34a_100020645299_100009813279 [2,0,0,0,0,0|1,0,0]=3 728 B11R0.148 CC=CCNCCCNC(=O)C 34a_100000736810_100000070051 [2,0,0,0,0,0|2,0,0]=4 729 B11R0.148 CC=CCOCCCNC(=O)C 34a_100000752032_100000070051 [2,0,0,0,0,0|2,0,0]=4 730 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [2,0,0,0,0,0|2,0,0]=4 731 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [2,0,0,0,0,0|2,0,0]=4 732 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000042594_100000070051 [2,0,0,0,0,0|1,0,0]=3 733 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000070051_100000042594 [2,0,0,0,0,0|1,0,0]=3 734 B11R0.148 CC=CCSCCCOC(=S)C 62a_100000070051_200135323944 [2,0,0,0,0,0|1,1,0]=4 735 B11R0.148 CC=CCSCCCOC(=S)C 62a_200135323944_100000070051 [2,0,0,0,0,0|1,1,0]=4 736 B11R0.148 CC=CCSCCCSC(=O)C 62a_100000038929_100000070051 [2,0,0,0,0,0|1,1,0]=4 737 B11R0.148 CC=CCSCCCSC(=O)C 62a_100000070051_100000038929 [2,0,0,0,0,0|1,1,0]=4 738 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [2,0,0,0,0,0|1,0,1]=4 739 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [2,0,0,0,0,0|1,0,1]=4 740 B11R0.148 CCOCCCNCC=C(C)C 2230a_100000210961_100000761012 [2,0,0,0,0,0|1,0,1]=4 741 B11R0.148 CCOCCCNCC=C(C)C 34a_100000210961_100000761012 [2,0,0,0,0,0|1,0,1]=4 742 B11R0.148 CCOCCCNCC=C(C)C 34a_100000718196_100012232248 [2,0,0,0,0,0|1,0,1]=4 743 B11R0.148 CCOCCCOCC=C(C)C 34a_100000753907_100012232248 [2,0,0,0,0,0|1,0,1]=4 744 B11R0.148 CCOCCCOCC=C(C)C 34a_100000757476_100000761012 [2,0,0,0,0,0|1,0,1]=4 745 B11R0.148 CCOCCCOCC=C(C)C 7a_100000757476_100000761012 [2,0,0,0,0,0|1,0,1]=4 746 B11R0.148 CCOCCCSCC=C(C)C 62a_100000761012_100012232248 [2,0,0,0,0,0|1,0,1]=4 747 B11R0.148 CCOCCCSCC=C(C)C 62a_100012232248_100000761012 [2,0,0,0,0,0|1,0,1]=4 748 B11R0.148 CCOCCNCCC=C(C)C 2230a_102516460346_100011217483 [2,0,0,0,0,0|1,0,1]=4 749 B11R0.148 CCOCCNCCC=C(C)C 34a_102516460346_100011217483 [2,0,0,0,0,0|1,0,1]=4 750 B11R0.148 CCOCCOCCC=C(C)C 34a_100000210136_100011217483 [2,0,0,0,0,0|1,0,1]=4 751 B11R0.148 CCOCCOCCC=C(C)C 7a_100000210136_100011217483 [2,0,0,0,0,0|1,0,1]=4 752 B11R0.148 CCOCCSCCC=C(C)C 62a_100000210147_100011217483 [2,0,0,0,0,0|1,0,1]=4 753 B11R0.148 CCOCCSCCC=C(C)C 62a_100011217483_100011215890 [2,0,0,0,0,0|1,0,1]=4 754 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [2,0,0,0,0,0|1,0,1]=4 755 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [2,0,0,0,0,0|1,0,1]=4 756 B13R0.1 C#CCOCCC(C)CCC=C(C)C 34a_100000017536_100000184674 [1,1,0,0,0,0|0,0,2]=4 757 B13R0.1 C#CCOCCC(C)CCC=C(C)C 34a_100000210247_100009814015 [1,1,0,0,0,0|0,0,2]=4 758 B13R0.1 C#CCOCCC(C)CCC=C(C)C 7a_100000017536_100000038162 [1,1,0,0,0,0|0,0,2]=4 759 B13R0.1 C=CCCCNC(C)CCC=C(C)C 270004a_100000700776_100000765506 [1,1,0,0,0,0|1,0,1]=4 760 B13R0.1 C=CCCCOC(C)CCC=C(C)C 34a_100102619829_100000757094 [1,1,0,0,0,0|1,0,1]=4 761 B13R0.1 C=CCCCOC(C)CCC=C(C)C 7a_100102619829_100000757094 [1,1,0,0,0,0|1,0,1]=4 762 B13R0.1 C=CCCNCC(C)CCC=C(C)C 270004a_100015191253_100000033009 [1,1,0,0,0,0|1,0,1]=4 763 B13R0.1 C=CCNCCC(C)CCC=C(C)C 2230a_100020586998_100009814015 [1,1,0,0,0,0|1,0,1]=4 764 B13R0.1 C=CCNCCC(C)CCC=C(C)C 270004a_100020586998_100000212096 [1,1,0,0,0,0|1,0,1]=4 765 B13R0.1 C=CCOCCC(C)CCC=C(C)C 34a_100000017536_100015514636 [1,1,0,0,0,0|0,0,1]=3 766 B13R0.1 C=CCOCCC(C)CCC=C(C)C 34a_200000210373_100009814015 [1,1,0,0,0,0|0,0,1]=3 767 B13R0.1 C=CCOCCC(C)CCC=C(C)C 7a_100000017536_100015514636 [1,1,0,0,0,0|0,0,1]=3 768 B13R0.1 C=CCSCCC(C)CCC=C(C)C 62a_100000210623_100009814015 [1,1,0,0,0,0|0,1,1]=4 769 B13R0.1 C=CCSCCC(C)CCC=C(C)C 62a_100009814015_100000210623 [1,1,0,0,0,0|0,1,1]=4 770 B13R0.1 C=COCCOC(C)CCC=C(C)C 34a_100102619829_100000039644 [1,1,0,0,0,0|0,0,1]=3 771 B13R0.1 C=COCCOC(C)CCC=C(C)C 7a_100102619829_100000039644 [1,1,0,0,0,0|0,0,1]=3 772 B13R0.1 CC(=CCC/C(=C\COCC=O)/C)C 34a_100016990311_200009817547 [1,1,0,0,0,0|0,0,2]=4 773 B13R0.1 CC(=CCC/C(=C\COCC=O)/C)C 7a_100016990311_200015260668 [1,1,0,0,0,0|0,0,2]=4 774 B13R0.1 CC(=CCCC(C)CCNCCF)C 269862a_100000724931_100000212096 [1,1,0,0,0,0|1,0,1]=4 775 B13R0.1 CC(=CCCC(C)CCNCCF)C 34a_100000724931_100009814015 [1,1,0,0,0,0|1,0,1]=4 776 B13R0.1 CC(=CCCC(C)CCNCCO)C 2230a_100016997473_100009814015 [1,1,0,0,0,0|1,0,1]=4 777 B13R0.1 CC(=CCCC(C)CCNCCO)C 269862a_100000210304_100000212096 [1,1,0,0,0,0|1,0,1]=4 778 B13R0.1 CC(=CCCC(C)CCNCCO)C 270004a_100000210304_100000212096 [1,1,0,0,0,0|1,0,1]=4 779 B13R0.1 CC(=CCCC(C)CCNCCO)C 34a_100016990907_100009814015 [1,1,0,0,0,0|1,0,1]=4 780 B13R0.1 CC(=CCCC(C)CCOCC#N)C 7a_100000017536_100011215382 [1,1,0,0,0,0|0,0,2]=4 781 B13R0.1 CC(=CCCC(C)CCOCC=O)C 34a_100000017536_200009817547 [1,1,0,0,0,0|0,0,0]=2 782 B13R0.1 CC(=CCCC(C)CCOCC=O)C 7a_100000017536_200015260668 [1,1,0,0,0,0|0,0,0]=2 783 B13R0.1 CC(=CCCC(C)CCOCCBr)C 34a_100000211926_100009814015 [1,1,0,0,0,0|0,0,1]=3 784 B13R0.1 CC(=CCCC(C)CCOCCF)C 34a_100000017536_100011217306 [1,1,0,0,0,0|0,0,1]=3 785 B13R0.1 CC(=CCCC(C)CCOCCF)C 7a_100000017536_100011217306 [1,1,0,0,0,0|0,0,1]=3 786 B13R0.1 CC(=CCCC(C)CCOCCN)C 34a_100000210304_100009814015 [1,1,0,0,0,0|0,0,1]=3 787 B13R0.1 CC(=CCCC(C)CCOCCO)C 34a_100000017536_100000211926 [1,1,0,0,0,0|0,0,1]=3 788 B13R0.1 CC(=CCCC(C)CCOCCO)C 7a_100000017536_100000211926 [1,1,0,0,0,0|0,0,1]=3 789 B13R0.1 CC(=CCCC(C)CCSCC=O)C 62a_100009814015_200015260668 [1,1,0,0,0,0|0,1,0]=3 790 B13R0.1 CC(=CCCC(C)CCSCC=O)C 62a_200015260668_100009814015 [1,1,0,0,0,0|0,1,0]=3 791 B13R0.1 CC(=CCCC(C)CCSCCF)C 62a_100009814015_100011217306 [1,1,0,0,0,0|0,1,1]=4 792 B13R0.1 CC(=CCCC(C)CCSCCF)C 62a_100011217306_100009814015 [1,1,0,0,0,0|0,1,1]=4 793 B13R0.1 CC(=CCCC(C)CCSCCO)C 62a_100000211926_100009814015 [1,1,0,0,0,0|0,1,1]=4 794 B13R0.1 CC(=CCCC(C)CCSCCO)C 62a_100009814015_100000211926 [1,1,0,0,0,0|0,1,1]=4 795 B13R0.1 CC(=CCCC(C)OCCCC=O)C 7a_100102619829_200011292268 [1,1,0,0,0,0|1,0,0]=3 796 B13R0.1 CC(=CCCN(C)CCOCCO)C 2230a_100000228057_100011217483 [1,1,0,0,0,0|1,0,1]=4 797 B13R0.1 CC(=CCCN(C)CCOCCO)C 269982a_100000228057_100011217483 [1,1,0,0,0,0|1,0,1]=4 798 B13R0.1 CC(C)CCCC(C)CCOCC=O 34a_100000015991_200009817547 [1,1,0,0,0,0|0,0,2]=4 799 B13R0.1 CC(C)CCCC(C)CCOCC=O 7a_100000015991_200015260668 [1,1,0,0,0,0|0,0,2]=4 800 B13R0.1 CC/C=C\COC(C)CCC=C(C)C 34a_100102619829_100103147603 [1,1,0,0,0,0|2,0,0]=4 801 B13R0.1 CC/C=C\COC(C)CCC=C(C)C 7a_100102619829_100103147603 [1,1,0,0,0,0|2,0,0]=4 802 B13R0.1 CCCCCNC(C)CCC=C(C)C 270004a_100000209983_100000765506 [1,1,0,0,0,0|1,0,1]=4 803 B13R0.1 CCCCCOC(C)CCC=C(C)C 34a_100102619829_100000718602 [1,1,0,0,0,0|1,0,1]=4 804 B13R0.1 CCCCCOC(C)CCC=C(C)C 7a_100102619829_100000210326 [1,1,0,0,0,0|1,0,1]=4 805 B13R0.1 CCCCNCC(C)CCC=C(C)C 270004a_100000102301_100000033009 [1,1,0,0,0,0|1,0,1]=4 806 B13R0.1 CCCNCCC(C)CCC=C(C)C 269862a_100020643023_100000212096 [1,1,0,0,0,0|1,0,1]=4 807 B13R0.1 CCCNCCC(C)CCC=C(C)C 270004a_100020643023_100000212096 [1,1,0,0,0,0|1,0,1]=4 808 B13R0.1 CCCOCCC(C)CCC=C(C)C 34a_100000017536_100000210303 [1,1,0,0,0,0|0,0,1]=3 809 B13R0.1 CCCOCCC(C)CCC=C(C)C 34a_100000210258_100009814015 [1,1,0,0,0,0|0,0,1]=3 810 B13R0.1 CCCOCCC(C)CCC=C(C)C 7a_100000017536_100000210303 [1,1,0,0,0,0|0,0,1]=3 811 B13R0.1 CCCSCCC(C)CCC=C(C)C 62a_100000210303_100009814015 [1,1,0,0,0,0|0,1,1]=4 812 B13R0.1 CCCSCCC(C)CCC=C(C)C 62a_100009814015_100000210303 [1,1,0,0,0,0|0,1,1]=4 813 B13R0.1 CCOCCNC(C)CCC=C(C)C 270004a_102516460346_100000765506 [1,1,0,0,0,0|0,0,1]=3 814 B13R0.1 CCOCCOC(C)CCC=C(C)C 34a_100102619829_100000210147 [1,1,0,0,0,0|0,0,1]=3 815 B13R0.1 CCOCCOC(C)CCC=C(C)C 7a_100102619829_100011215890 [1,1,0,0,0,0|0,0,1]=3 816 B13R0.1 CCSCCNC(C)CCC=C(C)C 270004a_100000106463_100000765506 [1,1,0,0,0,0|0,1,1]=4 817 B13R0.1 CCSCCOC(C)CCC=C(C)C 34a_100102619829_100000757381 [1,1,0,0,0,0|0,1,1]=4 818 B13R0.1 CCSCCOC(C)CCC=C(C)C 7a_100102619829_100000757381 [1,1,0,0,0,0|0,1,1]=4 819 B13R0.1 COCCCNC(C)CCC=C(C)C 270004a_100150723488_100000765506 [1,1,0,0,0,0|2,0,0]=4 820 B13R0.1 COCCCOC(C)CCC=C(C)C 34a_100102619829_100000740836 [1,1,0,0,0,0|2,0,0]=4 821 B13R0.1 COCCCOC(C)CCC=C(C)C 7a_100102619829_100000740836 [1,1,0,0,0,0|2,0,0]=4 822 B13R0.1 COCCNCC(C)CCC=C(C)C 270004a_100000209980_100000033009 [1,1,0,0,0,0|2,0,0]=4 823 B13R0.1 COCSCCC(C)CCC=C(C)C 62a_100000766300_100009814015 [1,1,0,0,0,0|0,1,1]=4 824 B13R0.1 COCSCCC(C)CCC=C(C)C 62a_100009814015_100000766300 [1,1,0,0,0,0|0,1,1]=4 825 B13R0.1 CSCCCNC(C)CCC=C(C)C 270004a_100000749238_100000765506 [1,1,0,0,0,0|2,0,0]=4 826 B13R0.1 CSCCNCC(C)CCC=C(C)C 270004a_100020590264_100000033009 [1,1,0,0,0,0|2,0,0]=4 827 B13R0.1 CSCOCCC(C)CCC=C(C)C 34a_100000017536_100011218213 [1,1,0,0,0,0|0,0,1]=3 828 B13R0.1 CSCSCCC(C)CCC=C(C)C 62a_100009814015_100011218213 [1,1,0,0,0,0|0,1,1]=4 829 B13R0.1 CSCSCCC(C)CCC=C(C)C 62a_100011218213_100009814015 [1,1,0,0,0,0|0,1,1]=4 830 B13R0.493 C=CC(=O)CCC(C)CCC=C(C)C 1458a_100000185746_100009814015 [1,1,0,0,0,0|1,0,1]=4 831 B13R0.493 CCC(=O)CCC(C)CCC=C(C)C 1458a_100000210414_100009814015 [1,1,0,0,0,0|1,0,1]=4 832 B13R0.493 CCN(C)CCC(C)CCC=C(C)C 2230a_100000225621_100009814015 [1,1,0,0,0,0|1,0,1]=4 833 B13R0.493 CCN(C)CCC(C)CCC=C(C)C 269982a_100000225621_100009814015 [1,1,0,0,0,0|1,0,1]=4 834 B13R0.493 CNC(=O)CCN(C)CCOC(=O)C 269982a_100000750875_100009814007 [1,1,0,0,0,0|2,0,0]=4 835 B13R0.493 COC(=O)CCN(C)CCOC(=O)C 269982a_100025711912_100009814007 [1,1,0,0,0,0|2,0,0]=4 836 B13R0.178 CC(=O)CCCCOC(C)C=C(C)C 34a_100000717055_100009817362 [1,1,0,0,0,0|2,0,0]=4 837 B13R0.178 CC(=O)OCCCCC(=O)C=C(C)C 1458a_100000211388_100000033659 [1,1,0,0,0,0|0,0,1]=3 838 B13R0.178 CC(=O)OCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000033659 [1,1,0,0,0,0|1,0,1]=4 839 B13R0.178 CC(=O)OCCCCC(=O)C=C(C)I 1458a_100025716642_100000033659 [1,1,0,0,0,0|1,0,1]=4 840 B13R0.178 CC(=O)OCCCOC(C)C=C(C)C 34a_100000717055_100000042594 [1,1,0,0,0,0|1,0,0]=3 841 B13R0.178 CC(=O)SCCCCC(=O)C=C(C)C 1458a_100000211388_200010402107 [1,1,0,0,0,0|0,1,1]=4 842 B13R0.178 CC(=O)SCCCOC(C)C=C(C)C 34a_100000717055_100000038929 [1,1,0,0,0,0|1,1,0]=4 843 B13R0.178 CC(=S)OCCCOC(C)C=C(C)C 34a_100000717055_200135323944 [1,1,0,0,0,0|1,1,0]=4 844 B13R0.180 C=C(C)C(=O)CCCCCOC(=O)C 1458a_100000185857_100000033007 [1,1,0,0,0,0|0,0,1]=3 845 B13R0.180 C=C(C)C(=O)CCOCCOC(=O)C 1458a_100000185857_200000083610 [1,1,0,0,0,0|1,0,1]=4 846 B13R0.180 CC(=O)NCCCCCC(=O)C(C)C 1458a_100000183861_100000210206 [1,1,0,0,0,0|1,0,1]=4 847 B13R0.180 CC(=O)NCCCCCC(=O)N(C)C 11a_100102631434_100000183861 [1,1,0,0,0,0|2,0,0]=4 848 B13R0.180 CC(=O)NCCCCCC(=O)N(C)C 1626a_100102631434_100000183861 [1,1,0,0,0,0|2,0,0]=4 849 B13R0.180 CC(=O)NCCCCCC(=O)N(C)C 240690a_100102631434_100000183861 [1,1,0,0,0,0|2,0,0]=4 850 B13R0.180 CC(=O)OCCCCCC(=O)C(C)C 1458a_100000210198_100000033007 [1,1,0,0,0,0|0,0,1]=3 851 B13R0.180 CC(=O)OCCCCCC(=O)C(C)F 1458a_100000062450_100000033007 [1,1,0,0,0,0|1,0,1]=4 852 B13R0.180 CC(=O)OCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000033007 [1,1,0,0,0,0|1,0,1]=4 853 B13R0.180 CC(=O)OCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000033007 [1,1,0,0,0,0|1,0,1]=4 854 B13R0.180 CC(=O)OCCCCCN(C)C(C)C 269982a_200000211004_100000033007 [1,1,0,0,0,0|1,0,1]=4 855 B13R0.180 CC(=O)OCCCSCC(=O)C(=O)C 62a_100000042594_100011261029 [1,1,0,0,0,0|2,0,0]=4 856 B13R0.180 CC(=O)OCCCSCC(=O)C(=O)C 62a_100011261029_100000042594 [1,1,0,0,0,0|2,0,0]=4 857 B13R0.180 CC(=O)OCCCSCC(=O)C(C)C 62a_100000042594_100000753385 [1,1,0,0,0,0|1,0,1]=4 858 B13R0.180 CC(=O)OCCCSCC(=O)C(C)C 62a_100000753385_100000042594 [1,1,0,0,0,0|1,0,1]=4 859 B13R0.180 CC(=O)OCCCSCC(=O)N(C)C 62a_100000042594_100000692301 [1,1,0,0,0,0|2,0,0]=4 860 B13R0.180 CC(=O)OCCCSCC(=O)N(C)C 62a_100000692301_100000042594 [1,1,0,0,0,0|2,0,0]=4 861 B13R0.180 CC(=O)OCCOCCC(=O)C(C)C 1458a_100000210198_200000083610 [1,1,0,0,0,0|1,0,1]=4 862 B13R0.180 CC(=O)OCCOCCC(=O)N(C)C 34a_200000747469_100009814007 [1,1,0,0,0,0|2,0,0]=4 863 B13R0.180 CC(=O)OCCSCCC(=O)N(C)C 62a_100000737620_100009814007 [1,1,0,0,0,0|2,0,0]=4 864 B13R0.180 CC(=O)OCCSCCC(=O)N(C)C 62a_100009814007_100000737620 [1,1,0,0,0,0|2,0,0]=4 865 B13R0.180 CC(=O)OCSCCCC(=O)N(C)C 62a_100000076356_100000737642 [1,1,0,0,0,0|2,0,0]=4 866 B13R0.180 CC(=O)OCSCCCC(=O)N(C)C 62a_100000737642_100000076356 [1,1,0,0,0,0|2,0,0]=4 867 B13R0.182 CC(=O)CCCCC(=O)CC=C(C)C 1458a_100011220947_100000735457 [1,1,0,0,0,0|1,0,1]=4 868 B13R0.182 CC(=O)NCCCC(=O)CC=C(C)C 1458a_100000194741_100000761012 [1,1,0,0,0,0|1,0,1]=4 869 B13R0.182 CC(=O)OCC(=O)CNCC=C(C)C 34a_100000718196_100000036994 [1,1,0,0,0,0|1,0,1]=4 870 B13R0.182 CC(=O)OCC(=O)COCC=C(C)C 34a_100000753907_100000036994 [1,1,0,0,0,0|1,0,1]=4 871 B13R0.182 CC(=O)OCC(=O)CSCC=C(C)C 62a_100000036994_100000761012 [1,1,0,0,0,0|1,0,1]=4 872 B13R0.182 CC(=O)OCC(=O)CSCC=C(C)C 62a_100000761012_100000036994 [1,1,0,0,0,0|1,0,1]=4 873 B13R0.182 CC(=O)OCC(O)CNCC=C(C)C 34a_100000718196_200000139349 [1,1,0,0,0,0|1,0,0]=3 874 B13R0.182 CC(=O)OCC(O)COCC=C(C)C 34a_100000753907_200000139349 [1,1,0,0,0,0|1,0,0]=3 875 B13R0.182 CC(=O)OCC(O)CSCC=C(C)C 62a_100000761012_200000139349 [1,1,0,0,0,0|1,0,0]=3 876 B13R0.182 CC(=O)OCC(O)CSCC=C(C)C 62a_200000139349_100000761012 [1,1,0,0,0,0|1,0,0]=3 877 B13R0.182 CC(=O)OCCCC(=O)CC=C(C)C 1458a_100011220947_100000042594 [1,1,0,0,0,0|0,0,1]=3 878 B13R0.182 CC(=O)OCCNC(=O)CC=C(C)C 11a_100000724843_100011220947 [1,1,0,0,0,0|1,0,1]=4 879 B13R0.182 CC(=O)OCCNC(=O)CC=C(C)C 240690a_100000724843_100011220947 [1,1,0,0,0,0|1,0,1]=4 880 B13R0.182 CC(=O)OCCNC(=O)CC=C(C)C 527a_100000724843_100011220947 [1,1,0,0,0,0|1,0,1]=4 881 B13R0.182 CC(=O)SCC(C)CNCC=C(C)C 34a_100000718196_200000116872 [1,1,0,0,0,0|1,1,0]=4 882 B13R0.182 CC(=O)SCC(C)COCC=C(C)C 34a_100000753907_200000116872 [1,1,0,0,0,0|1,1,0]=4 883 B13R0.182 CC(=O)SCC(C)CSCC=C(C)C 62a_100000761012_200000116872 [1,1,0,0,0,0|1,1,0]=4 884 B13R0.182 CC(=O)SCC(C)CSCC=C(C)C 62a_200000116872_100000761012 [1,1,0,0,0,0|1,1,0]=4 885 B13R0.182 CC(=O)SCCCC(=O)CC=C(C)C 1458a_100011220947_100000038929 [1,1,0,0,0,0|0,1,1]=4 886 B13R0.182 CC(=S)OCCCC(=O)CC=C(C)C 1458a_100011220947_200135323944 [1,1,0,0,0,0|0,1,1]=4 887 B13R0.202 C#C/C(=C\COCCCOC(=O)C)/C 34a_100016990848_100000042594 [1,1,0,0,0,0|1,0,1]=4 888 B13R0.202 C=CC(=O)OCCSCCC=C(C)C 62a_100009813456_100011217483 [1,1,0,0,0,0|1,0,1]=4 889 B13R0.202 C=CC(=O)OCCSCCC=C(C)C 62a_100011217483_100009813456 [1,1,0,0,0,0|1,0,1]=4 890 B13R0.202 CC(=O)OCCCCCN[C@H](C)CO 2230a_100000737577_100009813381 [1,1,0,0,0,0|1,0,1]=4 891 B13R0.202 CC(=O)OCCCCCOC(C)CF 34a_100016041109_100000033007 [1,1,0,0,0,0|1,0,1]=4 892 B13R0.202 CC(=O)OCCCCCOC(C)CF 7a_100016041109_100000033007 [1,1,0,0,0,0|1,0,1]=4 893 B13R0.202 CC(=O)OCCCCCOC(C)CN 34a_100000210904_100000033007 [1,1,0,0,0,0|1,0,1]=4 894 B13R0.202 CC(=O)OCCCCCSC(C)CO 62a_100012180447_100000033007 [1,1,0,0,0,0|1,0,1]=4 895 B13R0.202 CC(=O)OCCCCCS[C@H](C)CO 62a_100000033007_100016084084 [1,1,0,0,0,0|1,0,1]=4 896 B13R0.202 CC(=O)OCCCCCS[C@H](C)CO 62a_100016084084_100000033007 [1,1,0,0,0,0|1,0,1]=4 897 B13R0.202 CCC(=O)NCCNCCC=C(C)C 34a_100132302217_100011217483 [1,1,0,0,0,0|2,0,0]=4 898 B13R0.202 CCC(=O)NCCOCCC=C(C)C 34a_200000158885_100011217483 [1,1,0,0,0,0|2,0,0]=4 899 B13R0.202 CCC(=O)NCCOCCC=C(C)C 7a_200000158885_100011217483 [1,1,0,0,0,0|2,0,0]=4 900 B13R0.202 CCC(=O)OCCOCCC=C(C)C 7a_200000031056_100011217483 [1,1,0,0,0,0|1,0,0]=3 901 B13R0.202 CCC(C)NCCCCCOC(=O)C 2230a_100000209981_100009813381 [1,1,0,0,0,0|1,0,1]=4 902 B13R0.202 CCC(C)OCCCCCOC(=O)C 7a_100000210228_100000033007 [1,1,0,0,0,0|1,0,1]=4 903 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000033007_100000758301 [1,1,0,0,0,0|1,0,1]=4 904 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000758301_100000033007 [1,1,0,0,0,0|1,0,1]=4 905 B13R0.202 CNC(=O)CCCNCCC=C(C)C 2230a_100000740002_100011217483 [1,1,0,0,0,0|2,0,0]=4 906 B13R0.202 CNC(=O)CCCNCCC=C(C)C 34a_100000740002_100011217483 [1,1,0,0,0,0|2,0,0]=4 907 B13R0.202 CNC(=O)CCCSCCC=C(C)C 62a_100000741757_100011217483 [1,1,0,0,0,0|2,0,0]=4 908 B13R0.202 CNC(=O)CCCSCCC=C(C)C 62a_100011217483_100000741757 [1,1,0,0,0,0|2,0,0]=4 909 B13R0.202 CNC(=O)NCCNCCC=C(C)C 34a_100015205895_100011217483 [1,1,0,0,0,0|2,0,0]=4 910 B13R0.202 CNC(=O)OCCSCCC=C(C)C 62a_100011217483_200011997002 [1,1,0,0,0,0|1,0,0]=3 911 B13R0.202 CNC(=O)OCCSCCC=C(C)C 62a_200011997002_100011217483 [1,1,0,0,0,0|1,0,0]=3 912 B13R0.202 COC(=O)CCCCNCC=C(C)C 34a_100000718196_100000204269 [1,1,0,0,0,0|2,0,0]=4 913 B13R0.202 COC(=O)CCCCOCC=C(C)C 34a_100000059025_100000761012 [1,1,0,0,0,0|2,0,0]=4 914 B13R0.202 COC(=O)CCCCOCC=C(C)C 34a_100000753907_100000204269 [1,1,0,0,0,0|2,0,0]=4 915 B13R0.202 COC(=O)CCCCOCC=C(C)C 7a_100000059025_100000761012 [1,1,0,0,0,0|2,0,0]=4 916 B13R0.202 COC(=O)CCCCSCC=C(C)C 62a_100000204269_100000761012 [1,1,0,0,0,0|2,0,0]=4 917 B13R0.202 COC(=O)CCCCSCC=C(C)C 62a_100000761012_100000204269 [1,1,0,0,0,0|2,0,0]=4 918 B13R0.202 COC(=O)CCCSCCC=C(C)C 62a_100011217483_100011218270 [1,1,0,0,0,0|2,0,0]=4 919 B13R0.202 COC(=O)CCCSCCC=C(C)C 62a_100011218270_100011217483 [1,1,0,0,0,0|2,0,0]=4 920 B13R0.202 COC(=O)NCCOCCC=C(C)C 34a_100000757965_100011217483 [1,1,0,0,0,0|2,0,0]=4 921 B13R0.202 COC(=O)OCCOCCC=C(C)C 34a_100010262106_100011217483 [1,1,0,0,0,0|1,0,0]=3 922 B13R0.202 COC(C)SCCCCCOC(=O)C 62a_100000033007_100009879195 [1,1,0,0,0,0|1,0,1]=4 923 B13R0.202 COC(C)SCCCCCOC(=O)C 62a_100009879195_100000033007 [1,1,0,0,0,0|1,0,1]=4 924 B13R0.442 CC(=CCCSCCOS(=O)(=O)C)C 62a_100011217483_200000036756 [1,1,0,0,0,0|2,0,0]=4 925 B13R0.442 CC(=CCCSCCOS(=O)(=O)C)C 62a_200000036756_100011217483 [1,1,0,0,0,0|2,0,0]=4 926 B13R0.442 CC(=O)OCCCCCNC(C)(C)C 2230a_100000715429_100009813381 [1,1,0,0,0,0|1,0,1]=4 927 B13R0.442 CC(=O)OCCCCCOC(C)(C)C 34a_100015890283_100000033007 [1,1,0,0,0,0|1,0,1]=4 928 B13R0.442 CC(=O)OCCCCCOC(C)(C)C 7a_100015890283_100000033007 [1,1,0,0,0,0|1,0,1]=4 929 B13R0.442 CC(=O)OCCCCCSC(C)(C)C 62a_100000033007_100000211941 [1,1,0,0,0,0|1,0,1]=4 930 B13R0.442 CC(=O)OCCCCCSC(C)(C)C 62a_100000211941_100000033007 [1,1,0,0,0,0|1,0,1]=4 931 B13R0.51 CC(=O)OCC(C)NCC(=O)N(C)C 270004a_100015183351_100000000629 [0,1,0,0,1,0|2,0,0]=4 932 B13R0.208 CNC(=O)OCCC(=O)CC=C(C)C 1458a_100011220947_200011997002 [0,1,0,0,1,0|1,0,1]=4 933 B13R0.208 CNC(=O)OCCN(C)CCC(C)C 269982a_100000742789_200011997002 [0,1,0,0,1,0|1,0,1]=4 934 B13R0.208 CNC(=O)OCCN(C)CCN(C)C 269982a_100000225618_200011997002 [0,1,0,0,1,0|2,0,0]=4 935 B13R0.208 COC(=O)CCCN(C)CC=C(C)C 269982a_100000739225_100000761012 [0,1,0,0,1,0|2,0,0]=4 936 B13R0.208 COC(=O)OCSC(C)CCC(C)C 62a_100011261404_100000139417 [0,1,0,0,1,0|1,0,1]=4 937 B13R0.349 CC(=O)OCC(=O)C(C)CCC(C)C 1458a_100000183556_100011261404 [0,1,0,0,1,0|0,0,2]=4 938 B13R0.349 CC(=O)OCC(C)N(C)CCC(C)C 270004a_100000742789_100000000629 [0,1,0,0,1,0|1,0,1]=4 939 B13R0.349 CC(=O)OCC(C)N(C)CCN(C)C 270004a_100000225618_100000000629 [0,1,0,0,1,0|2,0,0]=4 940 B13R0.349 CC(=O)SC[C@@H](C)C(=O)CC=C(C)C 1458a_200015407212_100000761012 [0,1,0,0,1,0|0,1,1]=4 941 B13R0.444 CC(=CCCC(C)N[C@H](C)C(=O)N)C 270004a_100000119354_100000765506 [0,1,0,0,1,0|2,0,0]=4 942 B13R0.444 CC(=CCCC(C)OC(C)C(=O)N)C 34a_100102619829_100000702099 [0,1,0,0,1,0|2,0,0]=4 943 B13R0.444 CC(=CCCC(C)OC(C)C(=O)N)C 7a_100102619829_100000702099 [0,1,0,0,1,0|2,0,0]=4 944 B13R0.444 CC(=CCCC(C)OC(F)C(=O)N)C 34a_100102619829_100009813875 [0,1,0,0,1,0|2,0,0]=4 945 B13R0.444 CC(=CCCC(C)OC(F)C(=O)N)C 7a_100102619829_100009813875 [0,1,0,0,1,0|2,0,0]=4 946 B13R0.444 CC(=CCCC(C)OC(F)C(=O)[O-])C 34a_100102619829_100020610796 [0,1,0,0,1,0|2,0,0]=4 947 B13R0.444 CC(=O)C(C)OC(C)CCC=C(C)C 7a_100102619829_100000179758 [0,1,0,0,1,0|1,0,0]=3 948 B13R0.615 CC(=O)OC(C)SC(C)CCC(C)C 62a_100009818208_100011261404 [0,1,0,0,1,0|1,0,1]=4 949 B13R0.615 CC(=O)OC(C)SC(C)CCC(C)C 62a_100011261404_100009818208 [0,1,0,0,1,0|1,0,1]=4 950 B13R0.615 CC(=O)SCC(C)CC(=O)C=C(C)C 1458a_100000211388_200000116872 [0,1,0,0,1,0|0,1,1]=4 951 B13R0.1157 CC(=O)OCC(CCl)OCC=C(C)C 7a_200000139349_100000761012 [0,1,0,0,1,0|1,0,0]=3 952 B13R0.1157 CCC(CCC(C)C)OCOC(=O)C 34a_100011216567_100009813279 [0,1,0,0,1,0|1,0,1]=4 953 B13R0.1157 CCN(CCC=C(C)C)CCC(=O)N 2230a_100020645749_100011217483 [0,1,0,0,1,0|2,0,0]=4 954 B13R0.1157 CCN(CCOC(=O)C)CCC(C)C 269982a_100000207693_100009814007 [0,1,0,0,1,0|1,0,1]=4 955 B13R0.1157 CCN(CCOC(=O)C)CCN(C)C 269982a_100000225870_100009814007 [0,1,0,0,1,0|2,0,0]=4 956 B13R0.1403 C=C(C)CN(C)C(C)CCC=C(C)C 270004a_100000225649_100000765506 [0,1,0,0,1,0|2,0,0]=4 957 B13R0.1403 CC(=CCCC(C)N(C)CC(=O)N)C 270004a_100000739694_100000765506 [0,1,0,0,1,0|2,0,0]=4 958 B13R0.1403 CC(=O)OCCN(C)C(C)CC(C)C 269982a_100000745462_100009814007 [0,1,0,0,1,0|1,0,1]=4 959 B13R0.1403 CC(=O)O[C@@H](C)C(=O)CCC=C(C)C 1458a_100009816467_100011217483 [0,1,0,0,1,0|1,0,1]=4 960 B13R0.1424 CC(=O)OCSC(C)(C)CCC(C)C 62a_100000076356_200000037585 [0,1,0,0,1,0|1,0,1]=4 961 B13R0.1424 CC(=O)OCSC(C)(C)CCC(C)C 62a_200000037585_100000076356 [0,1,0,0,1,0|1,0,1]=4 962 B13R0.1426 CC(=CCCN(C)CCS(=O)(=O)C)C 2230a_100000750128_100011217483 [0,1,0,0,1,0|2,0,0]=4 963 B13R0.1426 CC(=CCCN(C)CCS(=O)(=O)C)C 269982a_100000750128_100011217483 [0,1,0,0,1,0|2,0,0]=4 964 B13R0.1426 CC(=CCCN(C)CCS(=O)(=O)C)C 34a_100000750128_100011217483 [0,1,0,0,1,0|2,0,0]=4 965 B15R0.246 C=C(C#N)COCCC(C)CCC=C(C)C 34a_100000017536_100000694840 [0,1,0,0,0,1|1,0,1]=4 966 B15R0.246 C=CC(=O)OCCOC(C)CCC=C(C)C 34a_100102619829_100009813456 [0,1,0,0,0,1|0,0,1]=3 967 B15R0.246 C=CC(=O)OCCOC(C)CCC=C(C)C 7a_100102619829_100009813456 [0,1,0,0,0,1|0,0,1]=3 968 B15R0.246 C=CC(C)COCCC(C)CCC=C(C)C 34a_100011215527_100009814015 [0,1,0,0,0,1|1,0,1]=4 969 B15R0.246 C=CC(C)COCCC(C)CCC=C(C)C 7a_100011215527_100009814015 [0,1,0,0,0,1|1,0,1]=4 970 B15R0.246 CC(=CCCC(C)CCOCC(C)CN)C 34a_100000744482_100009814015 [0,1,0,0,0,1|1,0,1]=4 971 B15R0.246 CC(=CCCC(C)CCOCC(Cl)CCl)C 34a_100000033668_100009814015 [0,1,0,0,0,1|1,0,1]=4 972 B15R0.246 CC(=CCCC(C)CCOCC(O)CO)C 34a_100000017536_100011219619 [0,1,0,0,0,1|0,0,2]=4 973 B15R0.246 CC(=CCCC(C)CCOCC(O)CO)C 7a_100000017536_100011219619 [0,1,0,0,0,1|0,0,2]=4 974 B15R0.246 CC(=CCCC(C)CCOC[C@@H](C)CO)C 34a_100000017536_100000059175 [0,1,0,0,0,1|0,0,2]=4 975 B15R0.246 CC(=CCCC(C)CCOC[C@@H](C)CO)C 7a_100000017536_100000059175 [0,1,0,0,0,1|0,0,2]=4 976 B15R0.246 CC(=CCCC(C)CCOC[C@@H](O)CF)C 34a_100000017536_100015614560 [0,1,0,0,0,1|0,0,2]=4 977 B15R0.246 CC(=CCCC(C)CCOC[C@@H](O)CF)C 7a_100000017536_100015614560 [0,1,0,0,0,1|0,0,2]=4 978 B15R0.246 CC(=CCCC(C)CCOC[C@@H](O)CO)C 34a_100000017536_100009815848 [0,1,0,0,0,1|0,0,2]=4 979 B15R0.246 CC(=CCCC(C)CCOC[C@@H](O)CO)C 7a_100000017536_100009815848 [0,1,0,0,0,1|0,0,2]=4 980 B15R0.246 CC(=CCCC(C)CCOC[C@H](F)CN)C 34a_100015665980_100009814015 [0,1,0,0,0,1|1,0,1]=4 981 B15R0.246 CCC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000747405 [0,1,0,0,0,1|0,0,2]=4 982 B15R0.246 CCC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000725409_100016991246 [0,1,0,0,0,1|0,0,2]=4 983 B15R0.246 CCC(=O)COCCC(C)CCC=C(C)C 34a_100000725409_100009814015 [0,1,0,0,0,1|0,0,0]=2 984 B15R0.246 CCC(=O)COCCC(C)CCC=C(C)C 7a_100000017536_100000747405 [0,1,0,0,0,1|0,0,0]=2 985 B15R0.246 CCC(=O)COCCC(C)CCCC(C)C 34a_100000725409_100009816328 [0,1,0,0,0,1|0,0,2]=4 986 B15R0.246 CCC(=O)COCCC(C)CCCC(C)C 7a_100000015991_100000747405 [0,1,0,0,0,1|0,0,2]=4 987 B15R0.246 CCC(=O)CSCCC(C)CCC=C(C)C 62a_100000747405_100009814015 [0,1,0,0,0,1|0,1,0]=3 988 B15R0.246 CCC(=O)CSCCC(C)CCC=C(C)C 62a_100009814015_100000747405 [0,1,0,0,0,1|0,1,0]=3 989 B15R0.246 CCC(=O)NCCNC(C)CCC=C(C)C 270004a_100132302217_100000765506 [0,1,0,0,0,1|1,0,0]=3 990 B15R0.246 CCC(=O)NN=CCC(C)CCC=C(C)C 4a_100000183195_100000212096 [0,1,0,0,0,1|1,0,1]=4 991 B15R0.246 CCC(C)COCCC(C)CCC=C(C)C 34a_100000017536_100000748023 [0,1,0,0,0,1|1,0,1]=4 992 B15R0.246 CCC(C)COCCC(C)CCC=C(C)C 7a_100000017536_100000748023 [0,1,0,0,0,1|1,0,1]=4 993 B15R0.246 CCC(O)COCCC(C)CCC=C(C)C 34a_100000017536_100011218378 [0,1,0,0,0,1|0,0,2]=4 994 B15R0.246 CCC(O)COCCC(C)CCC=C(C)C 7a_100000017536_100011218378 [0,1,0,0,0,1|0,0,2]=4 995 B15R0.246 CC[C@H](C)COCCC(C)CCC=C(C)C 34a_100000017536_100009816398 [0,1,0,0,0,1|1,0,1]=4 996 B15R0.246 CC[C@H](C)COCCC(C)CCC=C(C)C 7a_100000017536_100009816398 [0,1,0,0,0,1|1,0,1]=4 997 B15R0.246 CC[C@H](C)COCCC(C)CCC=C(C)C 7a_100009816381_100009814015 [0,1,0,0,0,1|1,0,1]=4 998 B15R0.246 CNC(=O)CCCNC(C)CCC=C(C)C 270004a_100000740002_100000765506 [0,1,0,0,0,1|1,0,0]=3 999 B15R0.246 CNC(=O)CCCOC(C)CCC=C(C)C 34a_100102619829_100000741757 [0,1,0,0,0,1|1,0,0]=3 1000 B15R0.246 CNC(=O)CCCOC(C)CCC=C(C)C 7a_100102619829_100000741757 [0,1,0,0,0,1|1,0,0]=3 1001 B15R0.246 CNC(=O)CCNCC(C)CCC=C(C)C 270004a_100000738227_100000033009 [0,1,0,0,0,1|1,0,0]=3 1002 B15R0.246 CNC(=O)CNCCC(C)CCC=C(C)C 2230a_100000693194_100009814015 [0,1,0,0,0,1|1,0,0]=3 1003 B15R0.246 CNC(=O)CNCCC(C)CCC=C(C)C 269862a_100000693194_100000212096 [0,1,0,0,0,1|1,0,0]=3 1004 B15R0.246 CNC(=O)CNCCC(C)CCC=C(C)C 270004a_100000693194_100000212096 [0,1,0,0,0,1|1,0,0]=3 1005 B15R0.246 CNC(=O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000183359 [0,1,0,0,0,1|0,0,2]=4 1006 B15R0.246 CNC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000183359 [0,1,0,0,0,1|0,0,2]=4 1007 B15R0.246 CNC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000750040_100016991246 [0,1,0,0,0,1|0,0,2]=4 1008 B15R0.246 CNC(=O)COCCC(C)CCC=C(C)C 34a_100000017536_100000183359 [0,1,0,0,0,1|0,0,0]=2 1009 B15R0.246 CNC(=O)COCCC(C)CCC=C(C)C 34a_100000750040_100009814015 [0,1,0,0,0,1|0,0,0]=2 1010 B15R0.246 CNC(=O)COCCC(C)CCC=C(C)C 7a_100000017536_100000183359 [0,1,0,0,0,1|0,0,0]=2 1011 B15R0.246 CNC(=O)COCCC(C)CCCC(C)C 34a_100000015991_100000183359 [0,1,0,0,0,1|0,0,2]=4 1012 B15R0.246 CNC(=O)COCCC(C)CCCC(C)C 34a_100000750040_100009816328 [0,1,0,0,0,1|0,0,2]=4 1013 B15R0.246 CNC(=O)COCCC(C)CCCC(C)C 7a_100000015991_100000183359 [0,1,0,0,0,1|0,0,2]=4 1014 B15R0.246 CNC(=O)CSCCC(C)CCC=C(C)C 62a_100000183359_100009814015 [0,1,0,0,0,1|0,1,0]=3 1015 B15R0.246 CNC(=O)CSCCC(C)CCC=C(C)C 62a_100009814015_100000183359 [0,1,0,0,0,1|0,1,0]=3 1016 B15R0.246 CNC(=O)OCCOC(C)CCC=C(C)C 34a_100102619829_200011997002 [0,1,0,0,0,1|0,0,0]=2 1017 B15R0.246 CNC(=O)OCCOC(C)CCC=C(C)C 7a_100102619829_200011997002 [0,1,0,0,0,1|0,0,0]=2 1018 B15R0.246 CNC(=O)OCCOC(C)CCCC(C)C 34a_200011218570_200011997002 [0,1,0,0,0,1|0,0,2]=4 1019 B15R0.246 CNC(=O)OCCOC(C)CCCC(C)C 7a_200011218570_200011997002 [0,1,0,0,0,1|0,0,2]=4 1020 B15R0.246 COC(=O)/C=C/COC(C)CCC=C(C)C 34a_100102619829_100000742655 [0,1,0,0,0,1|1,0,1]=4 1021 B15R0.246 COC(=O)/C=C/COC(C)CCC=C(C)C 7a_100102619829_100000742655 [0,1,0,0,0,1|1,0,1]=4 1022 B15R0.246 COC(=O)CCCOC(C)CCC=C(C)C 34a_100102619829_100000742333 [0,1,0,0,0,1|1,0,0]=3 1023 B15R0.246 COC(=O)CCCOC(C)CCC=C(C)C 7a_100102619829_100011218270 [0,1,0,0,0,1|1,0,0]=3 1024 B15R0.246 COC(=O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000747449 [0,1,0,0,0,1|0,0,2]=4 1025 B15R0.246 COC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000747449 [0,1,0,0,0,1|0,0,2]=4 1026 B15R0.246 COC(=O)COCCC(C)CCC=C(C)C 34a_100000017536_100000747449 [0,1,0,0,0,1|0,0,0]=2 1027 B15R0.246 COC(=O)COCCC(C)CCC=C(C)C 7a_100000017536_100000747449 [0,1,0,0,0,1|0,0,0]=2 1028 B15R0.246 COC(=O)COCCC(C)CCCC(C)C 34a_100000015991_100000747449 [0,1,0,0,0,1|0,0,2]=4 1029 B15R0.246 COC(=O)COCCC(C)CCCC(C)C 7a_100000015991_100000747449 [0,1,0,0,0,1|0,0,2]=4 1030 B15R0.246 COC(=O)CSCCC(C)CCC=C(C)C 62a_100000747449_100009814015 [0,1,0,0,0,1|0,1,0]=3 1031 B15R0.246 COC(=O)CSCCC(C)CCC=C(C)C 62a_100009814015_100000747449 [0,1,0,0,0,1|0,1,0]=3 1032 B15R0.246 COC(C)COCCC(C)CCC=C(C)C 34a_100000690652_100009814015 [0,1,0,0,0,1|0,0,2]=4 1033 B15R0.2650 CC(=CCCC(C)CCOCC(C)(C)C)C 34a_100000017536_100011219605 [0,1,0,0,0,1|1,0,1]=4 1034 B15R0.2650 CC(=CCCC(C)CCOCC(C)(C)F)C 34a_100000017536_100011997219 [0,1,0,0,0,1|1,0,1]=4 1035 B15R0.2650 CC(=CCCC(C)CCOCC(C)(C)F)C 34a_100000716592_100009814015 [0,1,0,0,0,1|1,0,1]=4 1036 B15R0.2650 CC(=CCCC(C)CCOCC(C)(C)O)C 34a_100000017536_100000764493 [0,1,0,0,0,1|0,0,2]=4 1037 B15R0.2650 CC(=CCCC(C)CCOCC(C)(C)O)C 7a_100000017536_100000764493 [0,1,0,0,0,1|0,0,2]=4 1038 B15R0.2650 CC(=CCCC(C)CCOCC(C)(F)F)C 34a_100000068830_100009814015 [0,1,0,0,0,1|1,0,1]=4 1039 B15R0.2650 CC(=CCCC(C)CCOCS(=O)(=O)[O-])C 34a_100000017536_100009817235 [0,1,0,0,0,1|2,0,0]=4 1040 B15R0.2650 CC(=CCCC(C)CCOC[Si](C)(C)C)C 7a_100000017536_100000233785 [0,1,0,0,0,1|1,1,0]=4 1041 B15R0.2650 CC(=CCCC(C)CNCCS(=O)(=O)C)C 270004a_100000740961_100000033009 [0,1,0,0,0,1|2,0,0]=4 1042 B15R0.2650 CC(=CCCC(C)NCCCS(=O)(=O)C)C 270004a_100000742409_100000765506 [0,1,0,0,0,1|2,0,0]=4 1043 B15R0.2650 CC(=CCCC(C)NCCNS(=O)(=O)C)C 270004a_100000752411_100000765506 [0,1,0,0,0,1|2,0,0]=4 1044 B15R0.2650 CC(=CCCC(C)NCCOC(C)(C)C)C 270004a_100000747557_100000765506 [0,1,0,0,0,1|1,0,1]=4 1045 B15R0.2650 CC(=CCCC(C)OCCCS(=O)(=O)C)C 34a_100102619829_100000754308 [0,1,0,0,0,1|2,0,0]=4 1046 B15R0.2650 CC(=CCCC(C)OCCCS(=O)(=O)C)C 7a_100102619829_100000754308 [0,1,0,0,0,1|2,0,0]=4 1047 B15R0.2650 CC(=CCCC(C)OCCNS(=O)(=O)C)C 7a_100102619829_100000754112 [0,1,0,0,0,1|2,0,0]=4 1048 B15R0.2650 CC(=CCCC(C)OCCOS(=O)(=O)C)C 34a_100102619829_200000036756 [0,1,0,0,0,1|1,0,0]=3 1049 B15R0.2650 CC(=CCCC(C)OCCOS(=O)(=O)C)C 7a_100102619829_200000036756 [0,1,0,0,0,1|1,0,0]=3 1050 B15R0.2650 CC(=CCCC(C)OCCO[Si](C)(C)C)C 34a_100102619829_200000032530 [0,1,0,0,0,1|1,1,0]=4 1051 B15R0.2650 CC(=CCCC(C)OCCO[Si](C)(C)C)C 7a_100102619829_200000032530 [0,1,0,0,0,1|1,1,0]=4 1052 B15R0.2721 C=C(C)CN(C)CCC(C)CCC=C(C)C 2230a_100000225649_100009814015 [0,1,0,0,0,1|2,0,0]=4 1053 B15R0.2721 C=C(C)CN(C)CCC(C)CCC=C(C)C 269982a_100000225649_100009814015 [0,1,0,0,0,1|2,0,0]=4 1054 B15R0.2721 C=C(C)CN(C)CCC(C)CCC=C(C)C 270004a_100000225649_100000212096 [0,1,0,0,0,1|2,0,0]=4 1055 B15R0.2721 CC(=CCCC(C)CCC(=O)C=C(C)C)C 1458a_100000211388_100009814015 [0,1,0,0,0,1|2,0,0]=4 1056 B15R0.2721 CC(=CCCC(C)CCC(=O)C=C(C)Cl)C 1458a_200042562850_100009814015 [0,1,0,0,0,1|2,0,0]=4 1057 B15R0.2721 CC(=CCCC(C)CCC(=O)C=C(C)I)C 1458a_100025716642_100009814015 [0,1,0,0,0,1|2,0,0]=4 1058 B15R0.2721 CC(=CCCC(C)CCC(=O)CC(=O)N)C 1458a_100134613110_100009814015 [0,1,0,0,0,1|2,0,0]=4 1059 B15R0.2721 CC(=CCCC(C)CCN(C)CC(=O)N)C 2230a_100000739694_100009814015 [0,1,0,0,0,1|2,0,0]=4 1060 B15R0.2721 CC(=CCCC(C)CCN(C)CC(=O)N)C 270004a_100000739694_100000212096 [0,1,0,0,0,1|2,0,0]=4 1061 B15R0.2721 CC(=CCCC(C)CCN(C)CC(=O)O)C 269956a_100000746989_100009814015 [0,1,0,0,0,1|2,0,0]=4 1062 B15R0.2721 CC(=O)NC(=O)COC(C)CCC=C(C)C 7a_100102619829_100000183797 [0,1,0,0,0,1|1,0,1]=4 1063 B15R0.2722 CC(=CCCC(C)CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100009814015 [0,1,0,0,0,1|2,0,0]=4 1064 B15R0.2722 CC(=CCCC(C)CCN[C@H](C)C(=O)N)C 2230a_100000119354_100009814015 [0,1,0,0,0,1|2,0,0]=4 1065 B15R0.2722 CC(=CCCC(C)CCN[C@H](C)C(=O)N)C 270004a_100000119354_100000212096 [0,1,0,0,0,1|2,0,0]=4 1066 B15R0.2722 CC(=CCCC(C)CCN[C@H](C)C(=O)N)C 34a_100000119354_100009814015 [0,1,0,0,0,1|2,0,0]=4 1067 B15R0.2722 CC(=CCCC(C)CCOC(C)C(=O)N)C 34a_100000017536_100000702099 [0,1,0,0,0,1|1,0,0]=3 1068 B15R0.2722 CC(=CCCC(C)CCOC(C)C(=O)N)C 7a_100000017536_100000702099 [0,1,0,0,0,1|1,0,0]=3 1069 B15R0.2722 CC(=CCCC(C)CCOC(C)C(C)C)C 7a_100000748068_100009814015 [0,1,0,0,0,1|1,0,1]=4 1070 B15R0.2722 CC(=CCCC(C)CCOC(F)C(=O)N)C 34a_100000017536_100009813875 [0,1,0,0,0,1|1,0,0]=3 1071 B15R0.2722 CC(=CCCC(C)CCOC(F)C(=O)N)C 7a_100000017536_100009813875 [0,1,0,0,0,1|1,0,0]=3 1072 B15R0.2722 CC(=CCCC(C)CCOC(F)C(=O)[O-])C 34a_100000017536_100020610796 [0,1,0,0,0,1|1,0,0]=3 1073 B15R0.2722 CC(=CCCC(C)CCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100009814015 [0,1,0,0,0,1|1,0,0]=3 1074 B15R0.2722 CC(=CCCC(C)CCO[C@H](C)C(=O)N)C 34a_100000731257_100009814015 [0,1,0,0,0,1|1,0,0]=3 1075 B15R0.2722 CC(=CCCC(C)CCO[C@H](C)C(=O)N)C 7a_100000731257_100009814015 [0,1,0,0,0,1|1,0,0]=3 1076 B15R0.2722 CC(=CCCC(C)CCSC(C)C(=O)N)C 62a_100000702099_100009814015 [0,1,0,0,0,1|1,1,0]=4 1077 B15R0.2722 CC(=CCCC(C)CCSC(C)C(=O)N)C 62a_100009814015_100000702099 [0,1,0,0,0,1|1,1,0]=4 1078 B15R0.2722 CC(=CCCC(C)CCSC(F)C(=O)N)C 62a_100009813875_100009814015 [0,1,0,0,0,1|1,1,0]=4 1079 B15R0.2722 CC(=CCCC(C)CCSC(F)C(=O)N)C 62a_100009814015_100009813875 [0,1,0,0,0,1|1,1,0]=4 1080 B15R0.2722 CC(=CCCC(C)CCSC(F)C(=O)[O-])C 62a_100009814015_100020610796 [0,1,0,0,0,1|1,1,0]=4 1081 B15R0.2722 CC(=CCCC(C)CCSC(F)C(=O)[O-])C 62a_100020610796_100009814015 [0,1,0,0,0,1|1,1,0]=4 1082 B15R0.2722 CC(=O)C(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000179758 [0,1,0,0,0,1|0,0,2]=4 1083 B15R0.2722 CC(=O)C(C)OC/C=C(\C)/CCC=C(C)C 34a_100000212229_100016991246 [0,1,0,0,0,1|0,0,2]=4 1084 B15R0.2722 CC(=O)C(C)OCCC(C)CCC=C(C)C 34a_100000212229_100009814015 [0,1,0,0,0,1|0,0,0]=2 1085 B15R0.2722 CC(=O)C(C)OCCC(C)CCC=C(C)C 7a_100000017536_100000179758 [0,1,0,0,0,1|0,0,0]=2 1086 B15R0.2722 CC(=O)C(C)OCCC(C)CCCC(C)C 34a_100000212229_100009816328 [0,1,0,0,0,1|0,0,2]=4 1087 B15R0.2722 CC(=O)C(C)OCCC(C)CCCC(C)C 7a_100000015991_100000179758 [0,1,0,0,0,1|0,0,2]=4 1088 B15R0.2722 CC(=O)C(C)SCCC(C)CCC=C(C)C 62a_100009814015_100009814033 [0,1,0,0,0,1|0,1,0]=3 1089 B15R0.2722 CC(=O)C(C)SCCC(C)CCC=C(C)C 62a_100009814033_100009814015 [0,1,0,0,0,1|0,1,0]=3 1090 B15R0.2724 C=C(C)CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000730704 [0,1,0,0,0,1|2,0,0]=4 1091 B15R0.2724 CC(=CCCC(C)CC(=O)CC=C(C)C)C 1458a_100000043202_100000761012 [0,1,0,0,0,1|2,0,0]=4 1092 B15R0.2724 CC(=CCCC(C)CN(C)CCC(=O)N)C 270004a_100000730477_100000033009 [0,1,0,0,0,1|2,0,0]=4 1093 B15R0.2724 CC(=O)NNC(=O)CC(C)CCC=C(C)C 22a_100000189765_100000043202 [0,1,0,0,0,1|1,0,1]=4 1094 B15R0.2724 CC(=O)OCC(C)NC(C)CCCC(C)C 270004a_100000210607_100000000629 [0,1,0,0,0,1|0,0,2]=4 1095 B15R0.3317 C=C(C)C(=O)NCC(C)OCCOC(=O)C 34a_100000065599_100009814007 [0,1,0,0,0,1|1,0,1]=4 1096 B15R0.3317 C=C(C)C(=O)OCC(C)OCCOC(=O)C 7a_100000061822_100009814007 [0,1,0,0,0,1|1,0,1]=4 1097 B15R0.4060 CC(=O)OCCOC(C)(C)CCCC(C)C 7a_100011215742_100009814007 [0,1,0,0,0,1|0,0,2]=4 1098 B15R0.1697 C/C=C(\C)/C(=O)CCC(C)CCC=C(C)C 1458a_100020587367_100009814015 [0,2,0,0,0,0|2,0,0]=4 1099 B15R0.1697 C=C(COC(C)CCC=C(C)C)C(=O)OC 34a_100102619829_100009813391 [0,2,0,0,0,0|2,0,0]=4 1100 B15R0.1697 CNC(=O)C(=O)CCC(C)CCC=C(C)C 1458a_100011218921_100009814015 [0,2,0,0,0,0|1,0,0]=3 1101 B15R0.1697 CNC(=O)C(C)CNC(C)CCC=C(C)C 270004a_100015187722_100000765506 [0,2,0,0,0,0|2,0,0]=4 1102 B15R0.1697 COC(=O)C(=O)COC(C)CCC=C(C)C 34a_100102619829_100011610305 [0,2,0,0,0,0|2,0,0]=4 1103 B15R0.1697 COC(=O)C(C)COC(C)CCC=C(C)C 34a_100102619829_100000698445 [0,2,0,0,0,0|2,0,0]=4 1104 B15R0.2637 CC(=O)C(C)C(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000179758 [0,2,0,0,0,0|1,0,1]=4 1105 B15R0.110 C#CCC(C)OCCC(C)CCC=C(C)C 34a_100000685586_100009814015 [0,2,0,0,0,0|1,0,1]=4 1106 B15R0.110 C#CCC(C)OCCC(C)CCC=C(C)C 7a_100000685586_100009814015 [0,2,0,0,0,0|1,0,1]=4 1107 B15R0.110 C/C=C/C(C)OCCC(C)CCC=C(C)C 34a_200102604097_100009814015 [0,2,0,0,0,0|1,0,1]=4 1108 B15R0.110 C=CC[C@@H](C)OCCC(C)CCC=C(C)C 34a_100000731007_100009814015 [0,2,0,0,0,0|1,0,1]=4 1109 B15R0.110 C=CC[C@@H](C)OCCC(C)CCC=C(C)C 7a_100000731007_100009814015 [0,2,0,0,0,0|1,0,1]=4 1110 B15R0.110 CC#CC(C)OCCC(C)CCC=C(C)C 34a_100011216543_100009814015 [0,2,0,0,0,0|1,0,1]=4 1111 B15R0.110 CC(=CCCC(C)CCOC(C)CC#N)C 7a_100000017536_100009813641 [0,2,0,0,0,0|1,0,1]=4 1112 B15R0.110 CC(=CCCC(C)CCOC(C)CCBr)C 34a_100012276601_100009814015 [0,2,0,0,0,0|1,0,1]=4 1113 B15R0.110 CC(=CCCC(C)CCOC(C)CCO)C 34a_100000017536_100009893172 [0,2,0,0,0,0|0,0,2]=4 1114 B15R0.110 CC(=CCCC(C)CCOC(C)CCO)C 7a_100000017536_100009893172 [0,2,0,0,0,0|0,0,2]=4 1115 B15R0.110 CCCC(=O)OCOC(C)CCC=C(C)C 34a_100102619829_100000034017 [0,2,0,0,0,0|1,0,0]=3 1116 B15R0.110 CCCC(C)OCCC(C)CCC=C(C)C 34a_100000017536_100000766640 [0,2,0,0,0,0|1,0,1]=4 1117 B15R0.110 CCCC(C)OCCC(C)CCC=C(C)C 34a_100000764384_100009814015 [0,2,0,0,0,0|1,0,1]=4 1118 B15R0.110 CCCC(C)OCCC(C)CCC=C(C)C 7a_100000017536_100000766640 [0,2,0,0,0,0|1,0,1]=4 1119 B15R0.110 CCCC(C)OCCC(C)CCC=C(C)C 7a_100000764384_100009814015 [0,2,0,0,0,0|1,0,1]=4 1120 B15R0.110 CCNC(=O)CCNC(C)CCC=C(C)C 270004a_100025743525_100000765506 [0,2,0,0,0,0|2,0,0]=4 1121 B15R0.110 CCNC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000737597 [0,2,0,0,0,0|2,0,0]=4 1122 B15R0.110 CCNC(=O)CNCC(C)CCC=C(C)C 270004a_100016988866_100000033009 [0,2,0,0,0,0|2,0,0]=4 1123 B15R0.110 CCOC(=O)CCOC(C)CCC=C(C)C 34a_100102619829_100000765890 [0,2,0,0,0,0|2,0,0]=4 1124 B15R0.110 CCOC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100011206558 [0,2,0,0,0,0|2,0,0]=4 1125 B15R0.110 COCC(C)OCCC(C)CCC=C(C)C 34a_100000017536_100000765312 [0,2,0,0,0,0|0,0,2]=4 1126 B15R0.110 COCC(C)OCCC(C)CCC=C(C)C 7a_100000017536_100000765312 [0,2,0,0,0,0|0,0,2]=4 1127 B15R0.110 COC[C@@H](C)OCCC(C)CCC=C(C)C 34a_100011934205_100009814015 [0,2,0,0,0,0|0,0,2]=4 1128 B15R0.303 CCC(=O)CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000747405 [0,2,0,0,0,0|1,0,1]=4 1129 B15R0.303 CNC(=O)CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000183359 [0,2,0,0,0,0|1,0,1]=4 1130 B15R0.303 CNC(=O)CN(C)CC(C)CCC=C(C)C 270004a_100000189611_100000033009 [0,2,0,0,0,0|2,0,0]=4 1131 B15R0.303 COC(=O)CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000747449 [0,2,0,0,0,0|1,0,1]=4 1132 B15R0.303 COC(=O)CC(C)OC(C)CCC=C(C)C 34a_100102619829_100009817358 [0,2,0,0,0,0|2,0,0]=4 1133 B15R0.303 COC(=O)CC(C)OC(C)CCC=C(C)C 7a_100102619829_100009817358 [0,2,0,0,0,0|2,0,0]=4 1134 B15R0.303 COC(=O)CN(C)CC(C)CCC=C(C)C 270004a_100000198492_100000033009 [0,2,0,0,0,0|2,0,0]=4 1135 B15R0.331 C#CC(C)(C)OCCC(C)CCC=C(C)C 34a_100000017536_100000038118 [0,2,0,0,0,0|1,0,1]=4 1136 B15R0.331 C#CC(C)(C)OCCC(C)CCC=C(C)C 34a_100000189450_100009814015 [0,2,0,0,0,0|1,0,1]=4 1137 B15R0.331 C#CC(C)(C)OCCC(C)CCC=C(C)C 7a_100000189450_100009814015 [0,2,0,0,0,0|1,0,1]=4 1138 B15R0.331 C=CC(C)(C)OCCC(C)CCC=C(C)C 34a_100011215311_100009814015 [0,2,0,0,0,0|1,0,1]=4 1139 B15R0.331 C=CC(C)(C)OCCC(C)CCC=C(C)C 7a_100011215311_100009814015 [0,2,0,0,0,0|1,0,1]=4 1140 B15R0.331 CC(=CCCC(C)CCOC(C)(C)C#N)C 34a_100000017536_100011162410 [0,2,0,0,0,0|1,0,1]=4 1141 B15R0.331 CC(=CCCC(C)CCOC(C)(C)C#N)C 34a_200015195151_100009814015 [0,2,0,0,0,0|1,0,1]=4 1142 B15R0.331 CC(=CCCC(C)CCOC(C)(C)C#N)C 7a_100000017536_100011162410 [0,2,0,0,0,0|1,0,1]=4 1143 B15R0.331 CC(=CCCC(C)CCOC(C)(C)CCl)C 7a_100000764493_100009814015 [0,2,0,0,0,0|1,0,1]=4 1144 B15R0.331 CCC(C)(C)OCCC(C)CCC=C(C)C 7a_100000017536_100000210677 [0,2,0,0,0,0|1,0,1]=4 1145 B15R0.331 CCC(C)(C)OCCC(C)CCC=C(C)C 7a_100000210230_100009814015 [0,2,0,0,0,0|1,0,1]=4 1146 B15R0.1746 C#CC(CC)OCCC(C)CCC=C(C)C 34a_100000758843_100009814015 [0,2,0,0,0,0|1,0,1]=4 1147 B15R0.1746 C#CC(CC)OCCC(C)CCC=C(C)C 7a_100000758843_100009814015 [0,2,0,0,0,0|1,0,1]=4 1148 B15R0.1746 C=CC(CC)OCCC(C)CCC=C(C)C 34a_100000766422_100009814015 [0,2,0,0,0,0|1,0,1]=4 1149 B15R0.1746 C=CC(CC)OCCC(C)CCC=C(C)C 7a_100000766422_100009814015 [0,2,0,0,0,0|1,0,1]=4 1150 B15R0.1746 CC(=CCCC(C)CCOC(C=O)C=O)C 34a_100000017536_100000736813 [0,2,0,0,0,0|0,0,2]=4 1151 B15R0.1746 CC(=CCCC(C)CCOC(CCl)CCl)C 7a_100000737055_100009814015 [0,2,0,0,0,0|1,0,1]=4 1152 B15R0.1746 CC(=CCCC(C)CCOC(CF)CF)C 34a_100000032261_100009814015 [0,2,0,0,0,0|1,0,1]=4 1153 B15R0.1746 CC(=CCCC(C)CCOC(CF)CF)C 7a_100000032261_100009814015 [0,2,0,0,0,0|1,0,1]=4 1154 B15R0.1746 CC(=CCCC(C)CCOC(CN)CN)C 34a_100000031598_100009814015 [0,2,0,0,0,0|1,0,1]=4 1155 B15R0.1746 CC(=CCCC(C)CCO[C@@H](CF)CCl)C 34a_100015614560_100009814015 [0,2,0,0,0,0|1,0,1]=4 1156 B15R0.1746 CC(=CCCC(C)CCO[C@@H](CF)CCl)C 7a_100015614560_100009814015 [0,2,0,0,0,0|1,0,1]=4 1157 B15R0.1746 CCC(CC)OCCC(C)CCC=C(C)C 7a_100000017536_100000210505 [0,2,0,0,0,0|1,0,1]=4 1158 B15R0.1746 CCC(CC)OCCC(C)CCC=C(C)C 7a_100000688536_100009814015 [0,2,0,0,0,0|1,0,1]=4 1159 B15R0.3302 CNC(=O)CCN(C)C(C)CCC=C(C)C 270004a_100000750875_100000765506 [0,2,0,0,0,0|2,0,0]=4 1160 B15R0.9483 CC(=O)OC(C)CC(C)(C)OCC=C(C)C 7a_100103282973_100000761012 [0,2,0,0,0,0|1,0,0]=3 1161 B15R0.12897 C#CC(C)(CCC=C(C)C)OCCC(=O)C 7a_100102524899_100000053229 [0,2,0,0,0,0|2,0,0]=4 1162 B15R0.12897 C#CC(C)(CCC=C(C)C)OCOC(=O)C 34a_100102524899_100009813279 [0,2,0,0,0,0|1,0,0]=3 1163 B15R0.12897 C=CC(C)(CCC=C(C)C)OCCC(=O)C 7a_100000033386_100000053229 [0,2,0,0,0,0|2,0,0]=4 1164 B15R0.12897 C=CC(C)(CCC=C(C)C)OCOC(=O)C 34a_100000033386_100009813279 [0,2,0,0,0,0|1,0,0]=3 1165 B15R0.12897 CCC(C)(CCC=C(C)C)OCCC(=O)C 7a_100000035081_100000053229 [0,2,0,0,0,0|2,0,0]=4 1166 B13R1.149 CC(=CCCN1CCC=C(C1)C)C 2230a_100000725631_100011217483 [1,0,0,1,0,0|2,0,0]=4 1167 B13R1.149 CC(=CCCN1CCC=C(C1)C)C 269982a_100000725631_100011217483 [1,0,0,1,0,0|2,0,0]=4 1168 B13R1.149 CC(=CCCN1CCC=C(C1)C)C 34a_100000725631_100011217483 [1,0,0,1,0,0|2,0,0]=4 1169 B13R1.149 CC(=CCCN1CCNC(=O)C1)C 2230a_100000184651_100011217483 [1,0,0,1,0,0|2,0,0]=4 1170 B13R1.149 CC(=CCCN1CCOC(=O)C1)C 2230a_100000131268_100011217483 [1,0,0,1,0,0|1,0,0]=3 1171 B13R1.149 CC(=CCCN1CCOC(C1)C)C 2230a_100000729577_100011217483 [1,0,0,1,0,0|1,0,1]=4 1172 B13R1.149 CC(=CCCN1CCOC(C1)C)C 269982a_100000729577_100011217483 [1,0,0,1,0,0|1,0,1]=4 1173 B13R1.149 CC(=CCCN1CCOC(C1)C)C 34a_100000729577_100011217483 [1,0,0,1,0,0|1,0,1]=4 1174 B13R1.149 CC(=CCNC1CCNC(=O)C1)C 2230a_100016994916_100000761012 [1,0,0,1,0,0|2,0,0]=4 1175 B13R1.149 CC(=CCNC1CCNC(=O)C1)C 34a_100016994916_100000761012 [1,0,0,1,0,0|2,0,0]=4 1176 B13R1.149 CC(=CCNC1CCOC(C1)C)C 270004a_100000718196_100000755752 [1,0,0,1,0,0|1,0,1]=4 1177 B13R1.149 CC(=CCOC1CCCC(=O)C1)C 34a_100012613340_100000761012 [1,0,0,1,0,0|2,0,0]=4 1178 B13R1.149 CC(=CCOC1CCOC(C1)C)C 34a_100011986385_100000761012 [1,0,0,1,0,0|1,0,1]=4 1179 B13R1.149 CC(=CCOC1CCOC(C1)C)C 7a_100011986385_100000761012 [1,0,0,1,0,0|1,0,1]=4 1180 B13R1.149 CC(=CCO[C@@H]1CCNC(=O)C1)C 34a_100015189427_100000761012 [1,0,0,1,0,0|2,0,0]=4 1181 B13R1.149 CC(=O)CCCN1CCC=C(C1)C 269982a_100000725631_100011215641 [1,0,0,1,0,0|2,0,0]=4 1182 B13R1.149 CC(=O)CCCN1CCC=C(C1)C 34a_100000725631_100000685027 [1,0,0,1,0,0|2,0,0]=4 1183 B13R1.149 CC(=O)NCCN1CCC=C(C1)C 2230a_100000725631_100000189650 [1,0,0,1,0,0|2,0,0]=4 1184 B13R1.149 CC(=O)NCCN1CCC=C(C1)C 269982a_100000725631_100000189650 [1,0,0,1,0,0|2,0,0]=4 1185 B13R1.149 CC(=O)OCCN1CCC=C(C1)C 269982a_100000725631_100009814007 [1,0,0,1,0,0|1,0,0]=3 1186 B13R1.149 CC(=O)OCCN1CCC=C(C1)C 34a_100000725631_100009814007 [1,0,0,1,0,0|1,0,0]=3 1187 B13R1.149 CC1=CCCN(C1)CCOC(=O)N 269982a_100000725631_200011214921 [1,0,0,1,0,0|2,0,0]=4 1188 B13R1.149 CC1=CCCN(C1)CCOC(=O)N 34a_100000725631_200011214921 [1,0,0,1,0,0|2,0,0]=4 1189 B13R1.232 CCOC1CN(C1)CCC=C(C)C 269982a_100000732654_100011217483 [1,0,0,1,0,0|1,0,1]=4 1190 B13R1.232 CCOC1CN(C1)CCC=C(C)C 34a_100000732654_100011217483 [1,0,0,1,0,0|1,0,1]=4 1191 B13R1.342 CC(=CCCN(C)C1CCOC1)C 2230a_100016988252_100011217483 [1,0,0,1,0,0|1,0,1]=4 1192 B13R1.342 CC(=CCCN(C)C1CCOC1)C 269982a_100016988252_100011217483 [1,0,0,1,0,0|1,0,1]=4 1193 B13R1.342 CC(=CCCN(C)C1CCOC1)C 34a_100016988252_100011217483 [1,0,0,1,0,0|1,0,1]=4 1194 B13R1.342 CC(=O)OCCC(=O)C1CC=CC1 1458a_100000759439_100009814007 [1,0,0,1,0,0|1,0,1]=4 1195 B13R1.658 C/C=C/CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100102629194 [1,0,0,1,0,0|2,0,0]=4 1196 B13R1.658 CC=CCNC1CCN(C1)C(=O)C 2230a_100000705975_100000070051 [1,0,0,1,0,0|2,0,0]=4 1197 B13R1.658 CC=CCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000070051 [1,0,0,1,0,0|2,0,0]=4 1198 B13R1.1988 CC(=CCCN1CCCOCC1)C 2230a_100000685342_100011217483 [1,0,0,1,0,0|1,0,1]=4 1199 B13R1.1988 CC(=CCCN1CCCOCC1)C 269982a_100000685342_100011217483 [1,0,0,1,0,0|1,0,1]=4 1200 B13R1.1988 CC(=CCCN1CCCOCC1)C 34a_100000685342_100011217483 [1,0,0,1,0,0|1,0,1]=4 1201 B13R1.5134 CC(=CCNC1(CCOCC1)C)C 2230a_100000692449_100000761012 [1,0,0,1,0,0|1,0,1]=4 1202 B13R1.5134 CC(=CCNC1(CCOCC1)C)C 34a_100000692449_100000761012 [1,0,0,1,0,0|1,0,1]=4 1203 B13R1.5134 CC(=CCOC1(CCOCC1)C)C 34a_100011827762_100000761012 [1,0,0,1,0,0|1,0,1]=4 1204 B13R1.5134 CC(=CCOC1(CCOCC1)C)C 7a_100011827762_100000761012 [1,0,0,1,0,0|1,0,1]=4 1205 B13R1.128 CC(=CCCNC1CNC(=O)C1)C 2230a_100000697751_100011217483 [1,0,0,1,0,0|2,0,0]=4 1206 B13R1.128 CC(=CCCOC1CCC(=O)C1)C 34a_100012614533_100011217483 [1,0,0,1,0,0|2,0,0]=4 1207 B13R1.128 CC(=CCCOC1CNC(=O)C1)C 34a_100000690082_100011217483 [1,0,0,1,0,0|2,0,0]=4 1208 B13R1.128 CC(=CCCSC1COC(=O)O1)C 62a_100011217483_100000032252 [1,0,0,1,0,0|2,0,0]=4 1209 B13R1.128 CC(=CCNCC1CNC(=O)C1)C 2230a_100016993742_100000761012 [1,0,0,1,0,0|2,0,0]=4 1210 B13R1.128 CC(=CCNCC1CNC(=O)C1)C 34a_100016993742_100000761012 [1,0,0,1,0,0|2,0,0]=4 1211 B13R1.128 CC(=CCNCC1COC(=O)O1)C 34a_100000718196_100000073702 [1,0,0,1,0,0|2,0,0]=4 1212 B13R1.128 CC(=CCNC[C@H]1COC(=O)N1)C 34a_100000718196_100015307671 [1,0,0,1,0,0|2,0,0]=4 1213 B13R1.128 CC(=CCOCC1CNC(=O)C1)C 34a_100016041077_100000761012 [1,0,0,1,0,0|2,0,0]=4 1214 B13R1.128 CC(=CCOCC1COC(=O)O1)C 34a_100000753907_100000073702 [1,0,0,1,0,0|2,0,0]=4 1215 B13R1.128 CC(=CCOC[C@H]1COC(=O)N1)C 34a_100000753907_100015307671 [1,0,0,1,0,0|2,0,0]=4 1216 B13R1.128 CC(=CCSCC1COC(=O)O1)C 62a_100000073702_100000761012 [1,0,0,1,0,0|2,0,0]=4 1217 B13R1.128 CC(=CCSCC1COC(=O)O1)C 62a_100000761012_100000073702 [1,0,0,1,0,0|2,0,0]=4 1218 B13R1.128 CC(=CCSC[C@H]1COC(=O)N1)C 62a_100000761012_100015307671 [1,0,0,1,0,0|2,0,0]=4 1219 B13R1.128 CC(=CCSC[C@H]1COC(=O)N1)C 62a_100015307671_100000761012 [1,0,0,1,0,0|2,0,0]=4 1220 B13R1.292 CC(=CCCOCC1CC(=O)C1)C 34a_100000101936_100011217483 [1,0,0,1,0,0|2,0,0]=4 1221 B13R1.292 CC(=CCCSCC1CC(=O)C1)C 62a_100009874392_100011217483 [1,0,0,1,0,0|2,0,0]=4 1222 B13R1.292 CC(=CCCSCC1CC(=O)C1)C 62a_100011217483_100009874392 [1,0,0,1,0,0|2,0,0]=4 1223 B13R1.1052 CC(=O)OCCCCCNC1CC1 34a_100000212008_100000033007 [1,0,0,1,0,0|1,0,1]=4 1224 B13R1.1052 CC(=O)OCCCCCSC1CC1 62a_100000033007_100000211595 [1,0,0,1,0,0|1,0,1]=4 1225 B13R1.3501 CC(=CCN1CCCNC(=O)C1)C 2230a_100015190381_100000761012 [1,0,0,1,0,0|2,0,0]=4 1226 B13R1.165 CC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_200000210301 [0,0,0,1,1,0|0,0,2]=4 1227 B13R1.165 CC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000070787_200009893639 [0,0,0,1,1,0|0,0,2]=4 1228 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)[13CH3])C 1458a_100009868045_200025704644 [0,0,0,1,1,0|0,0,2]=4 1229 B13R1.513 C=C1CCC(CC1)NCC=C(C)C 270004a_100000718196_100010272673 [0,0,0,1,1,0|2,0,0]=4 1230 B13R1.513 C=C1CCN(CC1)CCC=C(C)C 2230a_100000752442_100011217483 [0,0,0,1,1,0|2,0,0]=4 1231 B13R1.513 C=C1CCN(CC1)CCC=C(C)C 269982a_100000752442_100011217483 [0,0,0,1,1,0|2,0,0]=4 1232 B13R1.513 C=C1CCN(CC1)CCC=C(C)C 34a_100000752442_100011217483 [0,0,0,1,1,0|2,0,0]=4 1233 B13R1.513 C=C1CCN(CC1)CCOC(=O)C 269982a_100000752442_100009814007 [0,0,0,1,1,0|1,0,1]=4 1234 B13R1.513 C=C1CCN(CC1)CCOC(=O)C 34a_100000752442_100009814007 [0,0,0,1,1,0|1,0,1]=4 1235 B13R1.513 CC(=CCCN1CC=C(CC1)C)C 2230a_100000693516_100011217483 [0,0,0,1,1,0|2,0,0]=4 1236 B13R1.513 CC(=CCCN1CC=C(CC1)C)C 269982a_100000693516_100011217483 [0,0,0,1,1,0|2,0,0]=4 1237 B13R1.513 CC(=CCCN1CC=C(CC1)C)C 34a_100000693516_100011217483 [0,0,0,1,1,0|2,0,0]=4 1238 B13R1.513 CC(=CCCN1CCS(=O)CC1)C 2230a_100000752083_100011217483 [0,0,0,1,1,0|2,0,0]=4 1239 B13R1.513 CC(=CCCN1CCS(=O)CC1)C 269982a_100000752083_100011217483 [0,0,0,1,1,0|2,0,0]=4 1240 B13R1.513 CC(=CCNC1CCC(=O)NC1)C 2230a_100000748762_100000761012 [0,0,0,1,1,0|2,0,0]=4 1241 B13R1.513 CC(=CCNC1CCC(=O)NC1)C 34a_100000748762_100000761012 [0,0,0,1,1,0|2,0,0]=4 1242 B13R1.513 CC(=CCOC1CCC(=O)CC1)C 34a_100000764474_100000761012 [0,0,0,1,1,0|1,0,0]=3 1243 B13R1.513 CC(=CCOC1CCC(=O)CC1)C 7a_100000764474_100000761012 [0,0,0,1,1,0|1,0,0]=3 1244 B13R1.513 CC(=CCOC1CCC(=O)NC1)C 34a_100000079199_100000761012 [0,0,0,1,1,0|2,0,0]=4 1245 B13R1.513 CC(=O)CCCN1CC=C(CC1)C 269982a_100000693516_100011215641 [0,0,0,1,1,0|2,0,0]=4 1246 B13R1.513 CC(=O)CCCN1CC=C(CC1)C 34a_100000693516_100000685027 [0,0,0,1,1,0|2,0,0]=4 1247 B13R1.513 CC(=O)NCCC1CCN(CC1)C 1626a_100000748683_100015343762 [0,0,0,1,1,0|2,0,0]=4 1248 B13R1.513 CC(=O)NCCC1CCN(CC1)C 2230a_100011370063_200000210301 [0,0,0,1,1,0|2,0,0]=4 1249 B13R1.513 CC(=O)NCCC1CCN(CC1)C 240690a_100000748683_100015343762 [0,0,0,1,1,0|2,0,0]=4 1250 B13R1.513 CC(=O)NCCC1CCN(CC1)C 269982a_100011370063_200000210301 [0,0,0,1,1,0|2,0,0]=4 1251 B13R1.513 CC(=O)NCCC1CCN(CC1)C 34a_100011370063_200000210301 [0,0,0,1,1,0|2,0,0]=4 1252 B13R1.513 CC(=O)NCCC1CCN(CC1)C 527a_100000748683_100103153847 [0,0,0,1,1,0|2,0,0]=4 1253 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 2230a_100011370063_200025704644 [0,0,0,1,1,0|2,0,0]=4 1254 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 269982a_100011370063_200025704644 [0,0,0,1,1,0|2,0,0]=4 1255 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 34a_100011370063_200025704644 [0,0,0,1,1,0|2,0,0]=4 1256 B13R1.513 CC(=O)NCCN1CC=C(CC1)C 2230a_100000693516_100000189650 [0,0,0,1,1,0|2,0,0]=4 1257 B13R1.513 CC(=O)NCCN1CC=C(CC1)C 269982a_100000693516_100000189650 [0,0,0,1,1,0|2,0,0]=4 1258 B13R1.513 CC(=O)OCCN1CC=C(CC1)C 269982a_100000693516_100009814007 [0,0,0,1,1,0|1,0,0]=3 1259 B13R1.513 CC(=O)OCCN1CC=C(CC1)C 34a_100000693516_100009814007 [0,0,0,1,1,0|1,0,0]=3 1260 B13R1.513 CC(=O)OCCN1CCC(CC1)C 269982a_100000188429_100009814007 [0,0,0,1,1,0|1,0,1]=4 1261 B13R1.513 CC(=O)OCCN1CCC(CC1)C 34a_100000188429_100009814007 [0,0,0,1,1,0|1,0,1]=4 1262 B13R1.513 CC(=O)OCCN1CCN(CC1)C 269982a_100000188432_100009814007 [0,0,0,1,1,0|2,0,0]=4 1263 B13R1.513 CC(=O)OCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009813279 [0,0,0,1,1,0|1,0,1]=4 1264 B13R1.513 CC(=O)OCOC1CCC(=O)CC1 34a_100000764474_100009813279 [0,0,0,1,1,0|2,0,0]=4 1265 B13R1.513 CC(=O)OCOC1CCC(CC1)C 34a_100000210714_100009813279 [0,0,0,1,1,0|1,0,1]=4 1266 B13R1.513 CC(=O)OCSC1CCC(CC1)C 62a_100000076356_200011216234 [0,0,0,1,1,0|1,0,1]=4 1267 B13R1.513 CC(=O)OCSC1CCN(CC1)C 62a_100000076356_100011215917 [0,0,0,1,1,0|2,0,0]=4 1268 B13R1.513 CC1=CCN(CC1)CCOC(=O)N 269982a_100000693516_200011214921 [0,0,0,1,1,0|2,0,0]=4 1269 B13R1.513 CC1=CCN(CC1)CCOC(=O)N 34a_100000693516_200011214921 [0,0,0,1,1,0|2,0,0]=4 1270 B13R1.1024 C=C(C)CCN1CC(C1)OC(=O)C 269982a_100016994906_100000730704 [0,0,0,1,1,0|1,0,1]=4 1271 B13R1.1024 CC(=O)CCN1CC(C1)OC(=O)C 269982a_100016994906_100000053229 [0,0,0,1,1,0|2,0,0]=4 1272 B13R1.1024 CC(=O)OC1CN(C1)CC=C(C)C 269982a_100016994906_100000761012 [0,0,0,1,1,0|1,0,0]=3 1273 B13R1.1024 CC(=O)OC1CN(C1)CCC(C)C 269982a_100016994906_100000210312 [0,0,0,1,1,0|1,0,1]=4 1274 B13R1.1024 CC(=O)OC1CN(C1)CCN(C)C 269982a_100016994906_100000755713 [0,0,0,1,1,0|2,0,0]=4 1275 B13R1.1985 CC(=O)OCC1CCN(C1)C(=O)C 11a_100000118262_100015343762 [0,0,0,1,1,0|2,0,0]=4 1276 B13R1.1985 CC(=O)OCC1CCN(C1)C(=O)C 1626a_100000118262_100015343762 [0,0,0,1,1,0|2,0,0]=4 1277 B13R1.1985 CC(=O)OCC1CCN(C1)C(=O)C 240690a_100000118262_100015343762 [0,0,0,1,1,0|2,0,0]=4 1278 B13R1.1985 CC(=O)OCC1CCN(C1)C(=O)C 527a_100000118262_100103153847 [0,0,0,1,1,0|2,0,0]=4 1279 B13R1.1985 CC(=O)OCC1CCN(C1)C(C)C 2230a_100000118262_100000210206 [0,0,0,1,1,0|1,0,1]=4 1280 B13R1.1985 CC(=O)OCC1CCN(C1)C(C)C 269982a_100000118262_100000210206 [0,0,0,1,1,0|1,0,1]=4 1281 B13R1.1989 CC(=CCCN1CC(C1)C(=O)N)C 34a_100025753142_100011217483 [0,0,0,1,1,0|2,0,0]=4 1282 B13R1.1989 CC(=CCN[C@H]1C[C@H](C1)C(=O)O)C 269956a_100000738708_100000761012 [0,0,0,1,1,0|2,0,0]=4 1283 B13R1.1989 CC(=O)N1CC(C1)NCC=C(C)C 2230a_100102955437_100000761012 [0,0,0,1,1,0|2,0,0]=4 1284 B13R1.1989 CC(=O)OCCN1CC(C1)N(C)C 269982a_100000694738_100009814007 [0,0,0,1,1,0|2,0,0]=4 1285 B13R1.3796 CC(=CCN1CCNC(=O)CC1)C 2230a_100000698595_100000761012 [0,0,0,1,1,0|2,0,0]=4 1286 B13R1.3796 CC(=CCN1CCNC(=O)CC1)C 269982a_100000698595_100000761012 [0,0,0,1,1,0|2,0,0]=4 1287 B13R1.5904 CC(=O)OCN1C(CCC1(C)C)C 269982a_100015204717_100000076356 [0,0,0,1,1,0|1,0,1]=4 1288 B13R1.5904 CC(=O)OCN1C(CCC1(C)C)C 34a_100015204717_100009813279 [0,0,0,1,1,0|1,0,1]=4 1289 B13R1.7745 CC(=O)OCCN1CCC(C1)(C)C 269982a_100000764714_100009814007 [0,0,0,1,1,0|1,0,1]=4 1290 B15R1.5468 CC(=CCCC(C)Cc1nc(no1)C)C 270196a_100000212224_100000043202 [0,0,0,1,0,1|1,0,1]=4 1291 B15R1.5468 CC(=CCCC(C)Cc1noc(n1)C)C 270196a_100000016030_100000070787 [0,0,0,1,0,1|1,0,1]=4 1292 B15R1.5468 CC(=CCCC(C)OC1COC(=O)O1)C 34a_100102619829_100000032252 [0,0,0,1,0,1|1,0,0]=3 1293 B15R1.6713 C=C1CC(C1)CNC(C)CCC=C(C)C 270004a_100102567296_100000765506 [0,0,0,1,0,1|2,0,0]=4 1294 B15R1.6713 C=C1CC(C1)NCC(C)CCC=C(C)C 270004a_100132301982_100000033009 [0,0,0,1,0,1|2,0,0]=4 1295 B15R1.6713 CC(=CCCC(C)OCC1CC(=O)C1)C 7a_100102619829_100009874392 [0,0,0,1,0,1|1,0,0]=3 1296 B15R1.8273 CC(=CCCC(C)N1CCC=C(C1)C)C 270004a_100000725631_100000765506 [0,0,0,1,0,1|2,0,0]=4 1297 B15R1.8273 CC(=CCCC(C)N1CCNC(=O)C1)C 270004a_100000184651_100000765506 [0,0,0,1,0,1|1,0,0]=3 1298 B15R1.8273 CC(=CCCC(C)N1CCOC(=O)C1)C 270004a_100000131268_100000765506 [0,0,0,1,0,1|0,0,0]=2 1299 B15R1.8273 CC(=CCCC(C)N1CCOC(C1)C)C 270004a_100000729577_100000765506 [0,0,0,1,0,1|1,0,1]=4 1300 B15R1.8273 CC(=CCCC(C)N1CCOC(C1)O)C 270004a_100000688207_100000765506 [0,0,0,1,0,1|0,0,2]=4 1301 B15R1.8273 CC(C)CCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000753411 [0,0,0,1,0,1|0,0,2]=4 1302 B15R1.8273 CC(C)OCCC(C)N1CCOC(=O)C1 270004a_100000131268_200011219172 [0,0,0,1,0,1|1,0,1]=4 1303 B15R1.8273 CC1=CCCN(C1)C(C)CCOC(C)C 270004a_100000725631_200011219172 [0,0,0,1,0,1|1,0,1]=4 1304 B15R1.8435 CC(=O)COC1CC(CCC1C(C)C)C 1458a_100000239268_200000210301 [0,0,0,1,0,1|0,0,2]=4 1305 B15R1.8435 CC(=O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000211253_200009893639 [0,0,0,1,0,1|0,0,2]=4 1306 B15R1.8435 CC(=O)NN=C1C[C@@H](CCC1=C(C)C)C 4a_100000189765_100009816353 [0,0,0,1,0,1|1,0,1]=4 1307 B15R1.8435 CC1CCC(C(C1)OCC(=O)[13CH3])C(C)C 1458a_100000239268_200025704644 [0,0,0,1,0,1|0,0,2]=4 1308 B15R1.8879 CC(=O)N[C@H]1CCN(C1)CCC=C(C)C 2230a_100016989438_100011217483 [0,0,0,1,0,1|2,0,0]=4 1309 B15R1.8879 CC(=O)N[C@H]1CCN(C1)CCC=C(C)C 269982a_100016989438_100011217483 [0,0,0,1,0,1|2,0,0]=4 1310 B15R1.8923 CC(=CCCN[C@H]1CC[C@H](C1)C(=O)O)C 269956a_100015195206_100011217483 [0,0,0,1,0,1|2,0,0]=4 1311 B15R1.8923 CC(=O)N1CCC(C1)NCCC=C(C)C 2230a_100000705975_100011217483 [0,0,0,1,0,1|1,0,0]=3 1312 B15R1.8923 CC(=O)N1CC[C@@H](C1)OCCC=C(C)C 7a_100012000934_100011217483 [0,0,0,1,0,1|1,0,0]=3 1313 B15R1.8923 CC(=O)OCCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100009814007 [0,0,0,1,0,1|2,0,0]=4 1314 B15R1.8923 CC(=O)OCNCC1CCN(C1)C(C)C 34a_100000743801_100009813279 [0,0,0,1,0,1|1,0,1]=4 1315 B15R1.8923 CC(=O)OCOCC1CCN(C1)C(C)C 34a_200011652538_100009813279 [0,0,0,1,0,1|1,0,1]=4 1316 B15R1.8923 CC(=O)OCSCC1CCN(C1)C(C)C 62a_100000076356_100015187125 [0,0,0,1,0,1|1,0,1]=4 1317 B15R1.8923 CC(=O)OCSCC1CCN(C1)C(C)C 62a_100015187125_100000076356 [0,0,0,1,0,1|1,0,1]=4 1318 B15R1.8994 CC(=CCCC(C)CCOCC1CC1)C 34a_100000017536_100000742324 [0,0,0,1,0,1|1,0,1]=4 1319 B15R1.8994 CC(=CCCC(C)CCOCC1CC1)C 34a_100000211283_100009814015 [0,0,0,1,0,1|1,0,1]=4 1320 B15R1.8994 CC(=CCCC(C)CCOCC1CC1)C 7a_100000017536_100000742324 [0,0,0,1,0,1|1,0,1]=4 1321 B15R1.8994 CC(=CCCC(C)CCOCC1CO1)C 34a_100000017536_102125554688 [0,0,0,1,0,1|0,0,2]=4 1322 B15R1.8994 CC(=CCCC(C)CCOCC1CO1)C 7a_100000017536_102125554688 [0,0,0,1,0,1|0,0,2]=4 1323 B15R1.8994 CC(=CCCC(C)CCOCC1CS1)C 7a_100000017536_100000031435 [0,0,0,1,0,1|0,1,1]=4 1324 B15R1.8994 CC(=CCCC(C)CCOC[C@@H]1CO1)C 34a_100000757423_100009814015 [0,0,0,1,0,1|0,0,2]=4 1325 B15R1.8994 CC(=CCCC(C)CCOC[C@@H]1CO1)C 7a_100000017536_100000745022 [0,0,0,1,0,1|0,0,2]=4 1326 B15R1.9000 CC(=CCCN1CCOC(C1)C(=O)N)C 2230a_100000748043_100011217483 [0,0,0,1,0,1|2,0,0]=4 1327 B15R1.9000 CC(=CCCN1CCOC(C1)C(=O)N)C 34a_100000748043_100011217483 [0,0,0,1,0,1|2,0,0]=4 1328 B15R1.9000 CC(=O)N1CCCC(C1)OCC=C(C)C 7a_200011196156_100000761012 [0,0,0,1,0,1|2,0,0]=4 1329 B15R1.12232 CC(=CCCNC1CCOC(C1)(C)C)C 2230a_100000696200_100011217483 [0,0,0,1,0,1|1,0,1]=4 1330 B15R1.12232 CC(=CCCOC1CCOC(C1)(C)C)C 34a_100000693217_100011217483 [0,0,0,1,0,1|1,0,1]=4 1331 B15R1.12232 CC(=CCCOC1CCOC(C1)(C)C)C 7a_100000693217_100011217483 [0,0,0,1,0,1|1,0,1]=4 1332 B15R1.12232 CC(=CCCSC1CCOC(C1)(C)C)C 62a_100010191092_100011217483 [0,0,0,1,0,1|1,0,1]=4 1333 B15R1.12232 CC(=CCCSC1CCOC(C1)(C)C)C 62a_100011217483_100010191092 [0,0,0,1,0,1|1,0,1]=4 1334 B15R1.12232 CC(=CCNCC1CCOC(C1)(C)C)C 270004a_100000718196_100011361580 [0,0,0,1,0,1|1,0,1]=4 1335 B15R1.12232 CC(=O)OCCOC1CCCC(C1)(C)C 7a_100011995757_100009814007 [0,0,0,1,0,1|0,0,2]=4 1336 B15R1.12232 CC(=O)OCCOC1CCOC(C1)(C)C 34a_100000693217_100009814007 [0,0,0,1,0,1|1,0,1]=4 1337 B15R1.12232 CC(=O)OCCOC1CCOC(C1)(C)C 7a_100000693217_100009814007 [0,0,0,1,0,1|1,0,1]=4 1338 B15R1.12232 CC(=O)OCCSC1CCOC(C1)(C)C 62a_100009814007_100010191092 [0,0,0,1,0,1|1,0,1]=4 1339 B15R1.12232 CC(=O)OCCSC1CCOC(C1)(C)C 62a_100010191092_100009814007 [0,0,0,1,0,1|1,0,1]=4 1340 B15R1.1080 CC(=O)N1CCC(CC1)NCC=C(C)C 2230a_100000203771_100000761012 [0,1,0,1,0,0|2,0,0]=4 1341 B15R1.1080 CC(=O)N1CCC(CC1)NCC=C(C)C 270004a_100000718196_100000162417 [0,1,0,1,0,0|2,0,0]=4 1342 B15R1.1080 CC(=O)N1CCC(CC1)OCC=C(C)C 7a_100000194330_100000761012 [0,1,0,1,0,0|2,0,0]=4 1343 B15R1.1080 CC(=O)N1CCC(CC1)SCC=C(C)C 62a_100000761012_100011863393 [0,1,0,1,0,0|2,0,0]=4 1344 B15R1.1080 CC(=O)N1CCN(CC1)CCC=C(C)C 2230a_100000210354_100011217483 [0,1,0,1,0,0|2,0,0]=4 1345 B15R1.1080 CC(=O)N1CCN(CC1)CCC=C(C)C 269982a_100000210354_100011217483 [0,1,0,1,0,0|2,0,0]=4 1346 B15R1.12195 CC(=O)N(C)C1CN(C1)CCC=C(C)C 269982a_100016988723_100011217483 [0,1,0,1,0,0|2,0,0]=4 1347 B15R1.12195 CC(=O)OCCN1CC(C1)C(=O)N(C)C 34a_100015411772_100009814007 [0,1,0,1,0,0|2,0,0]=4 1348 B15R1.25663 CC(=CCCN1CCC(=O)N(CC1)C)C 2230a_100020591582_100011217483 [0,1,0,1,0,0|2,0,0]=4 1349 B15R1.25663 CC(=CCCN1CCC(=O)N(CC1)C)C 269982a_100020591582_100011217483 [0,1,0,1,0,0|2,0,0]=4 1350 B15R1.25663 CC(=CCCN1CCC(=O)N(CC1)C)C 34a_100020591582_100011217483 [0,1,0,1,0,0|2,0,0]=4 1351 B15R1.25663 CC(=O)OCCN1CCC(=O)N(CC1)C 269982a_100020591582_100009814007 [0,1,0,1,0,0|2,0,0]=4 1352 B15R1.25663 CC(=O)OCCN1CCC(=O)N(CC1)C 34a_100020591582_100009814007 [0,1,0,1,0,0|2,0,0]=4 1353 B15R1.31749 CC(=O)OC1CN(C1)CCC(=O)N(C)C 269982a_100016994906_100000737620 [0,1,0,1,0,0|2,0,0]=4 1354 B15R1.882 CC(=O)OCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100009814007 [0,1,0,1,0,0|1,0,1]=4 1355 B15R1.938 CNC(=O)C1CCN(C1)CCC=C(C)C 2230a_100020588580_100011217483 [0,1,0,1,0,0|2,0,0]=4 1356 B15R1.938 CNC(=O)C1CCN(C1)CCC=C(C)C 269982a_100020588580_100011217483 [0,1,0,1,0,0|2,0,0]=4 1357 B15R1.938 CNC(=O)C1CCN(C1)CCC=C(C)C 34a_100020588580_100011217483 [0,1,0,1,0,0|2,0,0]=4 1358 B15R1.938 COC(=O)C1CCC(C1)OCC=C(C)C 34a_100010257243_100000761012 [0,1,0,1,0,0|2,0,0]=4 1359 B15R1.938 COC(=O)C1CCC(C1)OCC=C(C)C 7a_100010257243_100000761012 [0,1,0,1,0,0|2,0,0]=4 1360 B15R1.938 COC(=O)[C@@H]1CCN(C1)CCC=C(C)C 2230a_100016989057_100011217483 [0,1,0,1,0,0|2,0,0]=4 1361 B15R1.938 COC(=O)[C@@H]1CCN(C1)CCC=C(C)C 269982a_100016989057_100011217483 [0,1,0,1,0,0|2,0,0]=4 1362 B15R1.8993 CC(=CCCC(C)CCOC1CCC1)C 34a_100000017536_100000749161 [0,1,0,1,0,0|1,0,1]=4 1363 B15R1.8993 CC(=CCCC(C)CCOC1CCC1)C 34a_100000748187_100009814015 [0,1,0,1,0,0|1,0,1]=4 1364 B15R1.8993 CC(=CCCC(C)CCOC1COC1)C 34a_100000017536_100009818527 [0,1,0,1,0,0|0,0,2]=4 1365 B15R1.8993 CC(=CCCC(C)CCOC1COC1)C 7a_100000017536_100009818527 [0,1,0,1,0,0|0,0,2]=4 1366 B15R1.8993 CC(=CCCC(C)CCOC1CSC1)C 7a_100000072292_100009814015 [0,1,0,1,0,0|0,1,1]=4 1367 B15R1.11402 COC(=O)CC1CN(C1)CCC=C(C)C 269982a_100016993681_100011217483 [0,1,0,1,0,0|2,0,0]=4 1368 B15R1.31783 CC(=CCCC(C)CCOC1(CC1)C)C 7a_100011725673_100009814015 [0,1,0,1,0,0|1,0,1]=4 1369 B15R1.39582 COC(=O)C1CN1C(C)CCC=C(C)C 270004a_200009830135_100000765506 [0,1,0,1,0,0|2,0,0]=4 1370 B15R1.16737 CC(=O)OC1CN(C1)C(=O)CC=C(C)C 240690a_100016994906_100011220947 [0,1,0,1,0,0|1,0,1]=4 1371 B15R1.16737 CC(=O)OC1CN(C1)C(=O)CC=C(C)C 527a_100016994906_100011220947 [0,1,0,1,0,0|1,0,1]=4 1372 B15R1.29349 CC(=CCCN1CCC(=O)NC[C@@H]1C)C 2230a_102125656889_100011217483 [0,1,0,1,0,0|2,0,0]=4 1373 B15R1.29349 CC(=CCCN1CCC(=O)NC[C@@H]1C)C 269982a_102125656889_100011217483 [0,1,0,1,0,0|2,0,0]=4 1374 B15R1.29349 CC(=CCCN1CCC(=O)NC[C@@H]1C)C 34a_102125656889_100011217483 [0,1,0,1,0,0|2,0,0]=4 1375 B15R1.8999 CC(=CCCN1CC(C1)OS(=O)(=O)C)C 269982a_100102886914_100011217483 [0,1,0,1,0,0|2,0,0]=4 1376 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,0,0,0,1,0|0,0,2]=4 1377 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,0,0,0,1,0|0,0,2]=4 1378 B11R0.30 C=C(C)CCOCCC=C(C)C 34a_100000764851_100011217483 [1,0,0,0,1,0|2,0,0]=4 1379 B11R0.30 C=C(C)CCOCCOC(=O)C 34a_100000764851_100009814007 [1,0,0,0,1,0|1,0,1]=4 1380 B11R0.30 C=C(C)CCSCCC=C(C)C 62a_100000730704_100011217483 [1,0,0,0,1,0|2,0,0]=4 1381 B11R0.30 C=C(C)CCSCCC=C(C)C 62a_100011217483_100000730704 [1,0,0,0,1,0|2,0,0]=4 1382 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100000730704_100009814007 [1,0,0,0,1,0|1,0,1]=4 1383 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100009814007_100000730704 [1,0,0,0,1,0|1,0,1]=4 1384 B11R0.30 C=C(C)COCCCOC(=O)C 34a_100000210245_100000042594 [1,0,0,0,1,0|1,0,1]=4 1385 B11R0.30 C=C(C)CSCCCOC(=O)C 62a_100000042594_100000211660 [1,0,0,0,1,0|1,0,1]=4 1386 B11R0.30 C=C(C)CSCCCOC(=O)C 62a_100000748629_100000042594 [1,0,0,0,1,0|1,0,1]=4 1387 B11R0.30 CC(=CCCOCCC(=O)N)C 34a_100000757172_100011217483 [1,0,0,0,1,0|2,0,0]=4 1388 B11R0.30 CC(=CCCOCCC(=O)N)C 7a_100000757172_100011217483 [1,0,0,0,1,0|2,0,0]=4 1389 B11R0.30 CC(=CCCSCCC(=O)N)C 62a_100000744528_100011217483 [1,0,0,0,1,0|2,0,0]=4 1390 B11R0.30 CC(=CCCSCCC(=O)N)C 62a_100011217483_100000744528 [1,0,0,0,1,0|2,0,0]=4 1391 B11R0.30 CC(=CCNCCCC(=O)N)C 34a_100000718196_100102525003 [1,0,0,0,1,0|2,0,0]=4 1392 B11R0.30 CC(=CCNCCCC(=O)N)C 34a_100000739312_100000761012 [1,0,0,0,1,0|2,0,0]=4 1393 B11R0.30 CC(=CCNCCCS(=O)C)C 2230a_200000753449_100000761012 [1,0,0,0,1,0|2,0,0]=4 1394 B11R0.30 CC(=CCNCCOC(=O)N)C 34a_100000718196_200011214921 [1,0,0,0,1,0|2,0,0]=4 1395 B11R0.30 CC(=CCOCCCC(=O)N)C 34a_100000753907_100102525003 [1,0,0,0,1,0|2,0,0]=4 1396 B11R0.30 CC(=CCOCCOC(=O)N)C 34a_100000753907_200011214921 [1,0,0,0,1,0|2,0,0]=4 1397 B11R0.30 CC(=CCOCCOC(=O)N)C 7a_100000766696_100000761012 [1,0,0,0,1,0|2,0,0]=4 1398 B11R0.30 CC(=CCSCCCC(=O)N)C 62a_100000761012_100102525003 [1,0,0,0,1,0|2,0,0]=4 1399 B11R0.30 CC(=CCSCCCC(=O)N)C 62a_100102525003_100000761012 [1,0,0,0,1,0|2,0,0]=4 1400 B11R0.30 CC(=CCSCCOC(=O)N)C 62a_100000761012_200011214921 [1,0,0,0,1,0|2,0,0]=4 1401 B11R0.30 CC(=CCSCCOC(=O)N)C 62a_200011214921_100000761012 [1,0,0,0,1,0|2,0,0]=4 1402 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [1,0,0,0,1,0|0,0,2]=4 1403 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,0,0,0,1,0|0,0,2]=4 1404 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [1,0,0,0,1,0|2,0,0]=4 1405 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [1,0,0,0,1,0|1,0,0]=3 1406 B11R0.30 CC(=O)CCCNCC=C(C)C 34a_100000718196_100000685027 [1,0,0,0,1,0|1,0,0]=3 1407 B11R0.30 CC(=O)CCCOCC=C(C)C 34a_100000753907_100000685027 [1,0,0,0,1,0|1,0,0]=3 1408 B11R0.30 CC(=O)CCCOCC=C(C)C 34a_100000759063_100000761012 [1,0,0,0,1,0|1,0,0]=3 1409 B11R0.30 CC(=O)CCCOCC=C(C)C 7a_100000759063_100000761012 [1,0,0,0,1,0|1,0,0]=3 1410 B11R0.30 CC(=O)CCCOCOC(=O)C 34a_100000759063_100009813279 [1,0,0,0,1,0|2,0,0]=4 1411 B11R0.30 CC(=O)CCCSCC=C(C)C 62a_100000761012_100011215641 [1,0,0,0,1,0|1,0,0]=3 1412 B11R0.30 CC(=O)CCCSCC=C(C)C 62a_100011215641_100000761012 [1,0,0,0,1,0|1,0,0]=3 1413 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100000076356_100011215641 [1,0,0,0,1,0|2,0,0]=4 1414 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100011215641_100000076356 [1,0,0,0,1,0|2,0,0]=4 1415 B11R0.30 CC(=O)CCOCCC=C(C)C 34a_100000759926_100011217483 [1,0,0,0,1,0|1,0,0]=3 1416 B11R0.30 CC(=O)CCOCCC=C(C)C 7a_100000759926_100011217483 [1,0,0,0,1,0|1,0,0]=3 1417 B11R0.30 CC(=O)CCOCCOC(=O)C 1458a_100000070787_200000083610 [1,0,0,0,1,0|2,0,0]=4 1418 B11R0.30 CC(=O)CCOCCOC(=O)C 34a_100000759926_100009814007 [1,0,0,0,1,0|2,0,0]=4 1419 B11R0.30 CC(=O)CCOCCOC(=O)C 7a_100000759926_100009814007 [1,0,0,0,1,0|2,0,0]=4 1420 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100000053229_100011217483 [1,0,0,0,1,0|1,0,0]=3 1421 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100011217483_100000053229 [1,0,0,0,1,0|1,0,0]=3 1422 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100000053229_100009814007 [1,0,0,0,1,0|2,0,0]=4 1423 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100009814007_100000053229 [1,0,0,0,1,0|2,0,0]=4 1424 B11R0.30 CC(=O)COCCCOC(=O)C 34a_100000211253_100000042594 [1,0,0,0,1,0|2,0,0]=4 1425 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [1,0,0,0,1,0|2,0,0]=4 1426 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [1,0,0,0,1,0|1,0,1]=4 1427 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [1,0,0,0,1,0|1,0,1]=4 1428 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [1,0,0,0,1,0|1,0,1]=4 1429 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [1,0,0,0,1,0|2,0,0]=4 1430 B11R0.30 CC(=O)NCCNCC=C(C)C 2230a_100000209853_100000761012 [1,0,0,0,1,0|2,0,0]=4 1431 B11R0.30 CC(=O)NCCOCC=C(C)C 34a_100000158858_100000761012 [1,0,0,0,1,0|2,0,0]=4 1432 B11R0.30 CC(=O)NCCSCC=C(C)C 62a_100000189650_100000761012 [1,0,0,0,1,0|2,0,0]=4 1433 B11R0.30 CC(=O)NCCSCC=C(C)C 62a_100000761012_100000189650 [1,0,0,0,1,0|2,0,0]=4 1434 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [1,0,0,0,1,0|1,0,0]=3 1435 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [1,0,0,0,1,0|1,0,0]=3 1436 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [1,0,0,0,1,0|1,0,1]=4 1437 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [1,0,0,0,1,0|1,0,1]=4 1438 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [1,0,0,0,1,0|1,0,1]=4 1439 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [1,0,0,0,1,0|1,0,1]=4 1440 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [1,0,0,0,1,0|1,0,1]=4 1441 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [1,0,0,0,1,0|1,0,1]=4 1442 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [1,0,0,0,1,0|1,0,1]=4 1443 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [1,0,0,0,1,0|1,0,1]=4 1444 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [1,0,0,0,1,0|1,0,1]=4 1445 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [1,0,0,0,1,0|1,0,1]=4 1446 B11R0.30 CC(=O)OCCNCC=C(C)C 34a_100000718196_100009814007 [1,0,0,0,1,0|1,0,0]=3 1447 B11R0.30 CC(=O)OCCOCC=C(C)C 34a_100000753907_100009814007 [1,0,0,0,1,0|1,0,0]=3 1448 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [1,0,0,0,1,0|1,0,1]=4 1449 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [1,0,0,0,1,0|1,0,1]=4 1450 B11R0.30 CC(=O)OCCOCCN(C)C 2230a_100102631434_200000083610 [1,0,0,0,1,0|2,0,0]=4 1451 B11R0.30 CC(=O)OCCOCCN(C)C 269982a_100102631434_200000083610 [1,0,0,0,1,0|2,0,0]=4 1452 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100000761012_100009814007 [1,0,0,0,1,0|1,0,0]=3 1453 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100009814007_100000761012 [1,0,0,0,1,0|1,0,0]=3 1454 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [1,0,0,0,1,0|1,0,1]=4 1455 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [1,0,0,0,1,0|1,0,1]=4 1456 B11R0.30 CC(=O)OCCSCCN(C)C 62a_100009814007_100000755713 [1,0,0,0,1,0|2,0,0]=4 1457 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [1,0,0,0,1,0|1,0,1]=4 1458 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [1,0,0,0,1,0|1,0,1]=4 1459 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100000076356_100011217483 [1,0,0,0,1,0|1,0,0]=3 1460 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100011217483_100000076356 [1,0,0,0,1,0|1,0,0]=3 1461 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [1,0,0,0,1,0|1,0,1]=4 1462 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [1,0,0,0,1,0|1,0,1]=4 1463 B11R0.30 CC(=O)OCSCCCN(C)C 62a_100000076356_100000757444 [1,0,0,0,1,0|2,0,0]=4 1464 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [1,0,0,0,1,0|0,0,2]=4 1465 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,0,0,0,1,0|0,0,2]=4 1466 B11R0.6 C=C(C)CN(C)CCC=C(C)C 2230a_100000225649_100011217483 [0,0,0,0,2,0|2,0,0]=4 1467 B11R0.6 C=C(C)CN(C)CCC=C(C)C 269982a_100000225649_100011217483 [0,0,0,0,2,0|2,0,0]=4 1468 B11R0.6 C=C(C)CN(C)CCOC(=O)C 269982a_100000225649_100009814007 [0,0,0,0,2,0|1,0,1]=4 1469 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,0,0,0,2,0|0,0,2]=4 1470 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,0,0,0,2,0|0,0,0]=2 1471 B11R0.6 CC(=CCCC(C)CN(C)C)C 270004a_100102631434_100000033009 [0,0,0,0,2,0|2,0,0]=4 1472 B11R0.6 CC(=CCCC(C)OC(C)C)C 34a_100102619829_100000210206 [0,0,0,0,2,0|1,0,1]=4 1473 B11R0.6 CC(=CCCC(C)OC(C)C)C 7a_100102619829_100000210206 [0,0,0,0,2,0|1,0,1]=4 1474 B11R0.6 CC(=CCCN(C)CC(=O)N)C 2230a_100000739694_100011217483 [0,0,0,0,2,0|2,0,0]=4 1475 B11R0.6 CC(=CCCN(C)CC(=O)O)C 269956a_100000746989_100011217483 [0,0,0,0,2,0|2,0,0]=4 1476 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,0,0,0,2,0|0,0,2]=4 1477 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,0,0,0,2,0|0,0,0]=2 1478 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100000761012_100009818208 [0,0,0,0,2,0|1,0,0]=3 1479 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100009818208_100000761012 [0,0,0,0,2,0|1,0,0]=3 1480 B11R0.6 CC(=O)OCCC(=O)C=C(C)C 1458a_100000211388_100009814007 [0,0,0,0,2,0|1,0,1]=4 1481 B11R0.6 CC(=O)OCCN(C)CC(C)C 269982a_100000747067_100009814007 [0,0,0,0,2,0|1,0,1]=4 1482 B11R0.6 CC(=O)OCOC(C)C=C(C)C 34a_100000717055_100009813279 [0,0,0,0,2,0|1,0,0]=3 1483 B11R0.6 CC(=O)OCOC(C)CC(C)C 34a_100000211805_100009813279 [0,0,0,0,2,0|1,0,1]=4 1484 B11R0.6 CC(=O)OCSC(C)CC(C)C 62a_100000076356_100000731052 [0,0,0,0,2,0|1,0,1]=4 1485 B11R0.6 CC(=O)OCSC(C)CC(C)C 62a_100000731052_100000076356 [0,0,0,0,2,0|1,0,1]=4 1486 B11R0.6 CC(=O)OCSC(C)CN(C)C 62a_100000076356_100020606517 [0,0,0,0,2,0|2,0,0]=4 1487 B11R0.6 CC(=O)OCSC(C)CN(C)C 62a_100020606517_100000076356 [0,0,0,0,2,0|2,0,0]=4 1488 B11R0.85 CC(=CCN(C)CCC(=O)N)C 2230a_100000730477_100000761012 [0,0,0,0,2,0|2,0,0]=4 1489 B11R0.85 CC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000053229 [0,0,0,0,2,0|1,0,1]=4 1490 B11R0.85 CC(=O)CCN(C)CCN(C)C 269982a_100000225618_100000053229 [0,0,0,0,2,0|2,0,0]=4 1491 B11R0.85 CC(=O)COC(C)CCC(C)C 34a_100000211253_100011261404 [0,0,0,0,2,0|1,0,1]=4 1492 B11R0.85 CC(=O)OCC(=O)CC=C(C)C 1458a_100000183556_100000761012 [0,0,0,0,2,0|1,0,1]=4 1493 B11R0.85 CC(=O)OCC(C)NCC(C)C 270004a_100000210953_100000000629 [0,0,0,0,2,0|1,0,1]=4 1494 B11R0.85 CC(=O)OCN(C)CCC(C)C 269982a_100000742789_100000076356 [0,0,0,0,2,0|1,0,1]=4 1495 B11R0.85 CC(=O)OCN(C)CCN(C)C 269982a_100000225618_100000076356 [0,0,0,0,2,0|2,0,0]=4 1496 B13R0.188 CCCCCC(C)NCCC=C(C)C 2230a_100000211957_100011217483 [1,0,0,0,0,1|1,0,1]=4 1497 B13R0.188 CCCCCC(C)OCCC=C(C)C 34a_100011215632_100011217483 [1,0,0,0,0,1|1,0,1]=4 1498 B13R0.188 CCCCCC(C)OCCC=C(C)C 7a_100011215632_100011217483 [1,0,0,0,0,1|1,0,1]=4 1499 B13R0.188 CCCCCC(C)OCCOC(=O)C 34a_100011215632_100009814007 [1,0,0,0,0,1|0,0,2]=4 1500 B13R0.188 CCCCCC(C)OCCOC(=O)C 7a_100011215632_100009814007 [1,0,0,0,0,1|0,0,2]=4 1501 B13R0.188 CCCCCC(C)SCCC=C(C)C 62a_100011217483_200011218191 [1,0,0,0,0,1|1,0,1]=4 1502 B13R0.188 CCCCCC(C)SCCC=C(C)C 62a_200011218191_100011217483 [1,0,0,0,0,1|1,0,1]=4 1503 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218191 [1,0,0,0,0,1|0,0,2]=4 1504 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_200011218191_100009814007 [1,0,0,0,0,1|0,0,2]=4 1505 B13R0.188 COCCCC(C)OCCC=C(C)C 34a_200011539412_100011217483 [1,0,0,0,0,1|2,0,0]=4 1506 B13R0.188 COCCCC(C)OCCC=C(C)C 7a_200011539412_100011217483 [1,0,0,0,0,1|2,0,0]=4 1507 B13R0.188 COCCCC(C)OCCOC(=O)C 34a_200011539412_100009814007 [1,0,0,0,0,1|1,0,1]=4 1508 B13R0.188 COCCCC(C)OCCOC(=O)C 7a_200011539412_100009814007 [1,0,0,0,0,1|1,0,1]=4 1509 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000073216_100000730704 [1,0,0,0,0,1|0,0,2]=4 1510 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000764851_100000033659 [1,0,0,0,0,1|0,0,2]=4 1511 B13R0.179 C=C(C)CCOCCCCOC(=O)C 7a_100000073216_100000730704 [1,0,0,0,0,1|0,0,2]=4 1512 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000033659_100000730704 [1,0,0,0,0,1|0,0,2]=4 1513 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000730704_100000033659 [1,0,0,0,0,1|0,0,2]=4 1514 B13R0.179 C=C(C)COCCCCCOC(=O)C 34a_100000210245_100000033007 [1,0,0,0,0,1|0,0,2]=4 1515 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000033007_100000211660 [1,0,0,0,0,1|0,0,2]=4 1516 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000748629_100000033007 [1,0,0,0,0,1|0,0,2]=4 1517 B13R0.179 CC(=CCCNCCCCC(=O)N)C 34a_100000696515_100011217483 [1,0,0,0,0,1|2,0,0]=4 1518 B13R0.179 CC(=CCCNCCCOC(C)C)C 2230a_100000737246_100011217483 [1,0,0,0,0,1|1,0,1]=4 1519 B13R0.179 CC(=CCCNCCCOC(C)C)C 34a_100000737246_100011217483 [1,0,0,0,0,1|1,0,1]=4 1520 B13R0.179 CC(=CCCNCCOCC(=O)O)C 269956a_100000700818_100011217483 [1,0,0,0,0,1|2,0,0]=4 1521 B13R0.179 CC(=CCCOCCCCC(=O)N)C 34a_100012022536_100011217483 [1,0,0,0,0,1|2,0,0]=4 1522 B13R0.179 CC(=CCCOCCCCC(=O)N)C 7a_100012022536_100011217483 [1,0,0,0,0,1|2,0,0]=4 1523 B13R0.179 CC(=CCCSCCOCC(=O)N)C 62a_100000076697_100011217483 [1,0,0,0,0,1|2,0,0]=4 1524 B13R0.179 CC(=CCCSCCOCC(=O)N)C 62a_100011217483_100000076697 [1,0,0,0,0,1|2,0,0]=4 1525 B13R0.179 CC(=CCNCCCCCC(=O)N)C 34a_100000718196_100009817443 [1,0,0,0,0,1|2,0,0]=4 1526 B13R0.179 CC(=CCNCCCCO[N+](=O)[O-])C 34a_100000718196_100015694321 [1,0,0,0,0,1|2,0,0]=4 1527 B13R0.179 CC(=CCOCCCCCC(=O)N)C 34a_100000123541_100000761012 [1,0,0,0,0,1|2,0,0]=4 1528 B13R0.179 CC(=CCOCCCCCC(=O)N)C 34a_100000753907_100009817443 [1,0,0,0,0,1|2,0,0]=4 1529 B13R0.179 CC(=CCOCCCCCC(=O)N)C 7a_100000123541_100000761012 [1,0,0,0,0,1|2,0,0]=4 1530 B13R0.179 CC(=CCOCCCCCC(=O)[O-])C 7a_100102619762_100000761012 [1,0,0,0,0,1|2,0,0]=4 1531 B13R0.179 CC(=CCOCCCCO[N+](=O)[O-])C 34a_100000753907_100015694321 [1,0,0,0,0,1|2,0,0]=4 1532 B13R0.179 CC(=CCSCCCCCC(=O)N)C 62a_100000761012_100009817443 [1,0,0,0,0,1|2,0,0]=4 1533 B13R0.179 CC(=CCSCCCCCC(=O)N)C 62a_100009817443_100000761012 [1,0,0,0,0,1|2,0,0]=4 1534 B13R0.179 CC(=CCSCCCCO[N+](=O)[O-])C 62a_100000761012_100015694321 [1,0,0,0,0,1|2,0,0]=4 1535 B13R0.179 CC(=O)CCCCSCCC=C(C)C 62a_100000735457_100011217483 [1,0,0,0,0,1|1,0,0]=3 1536 B13R0.179 CC(=O)CCCCSCCC=C(C)C 62a_100011217483_100000735457 [1,0,0,0,0,1|1,0,0]=3 1537 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100000735457_100009814007 [1,0,0,0,0,1|1,0,1]=4 1538 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000735457 [1,0,0,0,0,1|1,0,1]=4 1539 B13R0.179 CC(=O)CCCOCCCOC(=O)C 34a_100000759063_100000042594 [1,0,0,0,0,1|1,0,1]=4 1540 B13R0.179 CC(=O)CCCOCCCOC(=O)C 7a_100000759063_100000042594 [1,0,0,0,0,1|1,0,1]=4 1541 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100000042594_100011215641 [1,0,0,0,0,1|1,0,1]=4 1542 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100011215641_100000042594 [1,0,0,0,0,1|1,0,1]=4 1543 B13R0.179 CC(=O)CCOCCCCOC(=O)C 34a_100000759926_100000033659 [1,0,0,0,0,1|1,0,1]=4 1544 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000053229 [1,0,0,0,0,1|1,0,1]=4 1545 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000759926_100000033659 [1,0,0,0,0,1|1,0,1]=4 1546 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000053229 [1,0,0,0,0,1|1,0,1]=4 1547 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000053229_100000033659 [1,0,0,0,0,1|1,0,1]=4 1548 B13R0.179 CC(=O)COCCCCCOC(=O)C 34a_100000211253_100000033007 [1,0,0,0,0,1|1,0,1]=4 1549 B13R0.179 CC(=O)NCCCCNCC=C(C)C 2230a_200011368371_100000761012 [1,0,0,0,0,1|1,0,0]=3 1550 B13R0.179 CC(=O)NCCCCNCC=C(C)C 34a_200011368371_100000761012 [1,0,0,0,0,1|1,0,0]=3 1551 B13R0.179 CC(=O)NCCCCNCOC(=O)C 34a_200011368371_100009813279 [1,0,0,0,0,1|2,0,0]=4 1552 B13R0.179 CC(=O)NCCCNCCC=C(C)C 34a_100000736810_100011217483 [1,0,0,0,0,1|1,0,0]=3 1553 B13R0.179 CC(=O)NCCCNCCOC(=O)C 34a_100000736810_100009814007 [1,0,0,0,0,1|2,0,0]=4 1554 B13R0.179 CC(=O)NCCCOCCC=C(C)C 34a_100000752032_100011217483 [1,0,0,0,0,1|1,0,0]=3 1555 B13R0.179 CC(=O)NCCCOCCOC(=O)C 34a_100000752032_100009814007 [1,0,0,0,0,1|2,0,0]=4 1556 B13R0.179 CC(=O)NCCOCCCOC(=O)C 34a_100000158858_100000042594 [1,0,0,0,0,1|2,0,0]=4 1557 B13R0.179 CC(=O)NCCSCCCOC(=O)C 62a_100000042594_100000189650 [1,0,0,0,0,1|2,0,0]=4 1558 B13R0.179 CC(=O)NCCSCCCOC(=O)C 62a_100000189650_100000042594 [1,0,0,0,0,1|2,0,0]=4 1559 B13R0.179 CC(=O)OCCCCCNCC(C)C 2230a_100000210953_100009813381 [1,0,0,0,0,1|0,0,2]=4 1560 B13R0.179 CC(=O)OCCCCCNCC(C)C 34a_100000210953_100000033007 [1,0,0,0,0,1|0,0,2]=4 1561 B13R0.179 CC(=O)OCCCCCOCC(C)C 34a_100000210257_100000033007 [1,0,0,0,0,1|0,0,2]=4 1562 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000033007_100000210760 [1,0,0,0,0,1|0,0,2]=4 1563 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000210624_100000033007 [1,0,0,0,0,1|0,0,2]=4 1564 B13R0.179 CC(=O)OCCCCNCC=C(C)C 34a_100000718196_100000033659 [1,0,0,0,0,1|0,0,0]=2 1565 B13R0.179 CC(=O)OCCCCOCC=C(C)C 34a_100000073216_100000761012 [1,0,0,0,0,1|0,0,0]=2 1566 B13R0.179 CC(=O)OCCCCOCC=C(C)C 34a_100000753907_100000033659 [1,0,0,0,0,1|0,0,0]=2 1567 B13R0.179 CC(=O)OCCCCOCC=C(C)C 7a_100000073216_100000761012 [1,0,0,0,0,1|0,0,0]=2 1568 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000073216_100000210312 [1,0,0,0,0,1|0,0,2]=4 1569 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000210254_100000033659 [1,0,0,0,0,1|0,0,2]=4 1570 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000073216_100000210626 [1,0,0,0,0,1|0,0,2]=4 1571 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000210254_100000033659 [1,0,0,0,0,1|0,0,2]=4 1572 B13R0.179 CC(=O)OCCCCOCCN(C)C 7a_100000073216_100000755713 [1,0,0,0,0,1|1,0,1]=4 1573 B13R0.179 CC(=O)OCCCCOCOC(=O)C 34a_100000073216_100009813279 [1,0,0,0,0,1|2,0,0]=4 1574 B13R0.179 CC(=O)OCCCCOCOC(C)C 34a_100000073216_100000709892 [1,0,0,0,0,1|1,0,1]=4 1575 B13R0.179 CC(=O)OCCCCSCC=C(C)C 62a_100000033659_100000761012 [1,0,0,0,0,1|0,0,0]=2 1576 B13R0.179 CC(=O)OCCCCSCC=C(C)C 62a_100000761012_100000033659 [1,0,0,0,0,1|0,0,0]=2 1577 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000033659_100000210312 [1,0,0,0,0,1|0,0,2]=4 1578 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000210312_100000033659 [1,0,0,0,0,1|0,0,2]=4 1579 B13R0.179 CC(=O)OCCCCSCCN(C)C 62a_100000033659_100000755713 [1,0,0,0,0,1|1,0,1]=4 1580 B13R0.179 CC(=O)OCCCCSCOC(=O)C 62a_100000033659_100000076356 [1,0,0,0,0,1|2,0,0]=4 1581 B13R0.179 CC(=O)OCCCCSCOC(=O)C 62a_100000076356_100000033659 [1,0,0,0,0,1|2,0,0]=4 1582 B13R0.179 CC(=O)OCCCCSCOC(C)C 62a_100000033659_100000709892 [1,0,0,0,0,1|1,0,1]=4 1583 B13R0.179 CC(=O)OCCCCSCOC(C)C 62a_100000709892_100000033659 [1,0,0,0,0,1|1,0,1]=4 1584 B13R0.179 CC(=O)OCCCNCCCC(C)C 34a_200000737386_100000042594 [1,0,0,0,0,1|0,0,2]=4 1585 B13R0.179 CC(=O)OCCCNCCOC(C)C 34a_100000701111_100000042594 [1,0,0,0,0,1|1,0,1]=4 1586 B13R0.179 CC(=O)OCCCNCCSC(C)C 34a_100000731138_100000042594 [1,0,0,0,0,1|1,0,1]=4 1587 B13R0.179 CC(=O)OCCCOCCCC(C)C 34a_100000210774_100000042594 [1,0,0,0,0,1|0,0,2]=4 1588 B13R0.179 CC(=O)OCCCOCCCC(C)C 7a_100000210774_100000042594 [1,0,0,0,0,1|0,0,2]=4 1589 B13R0.179 CC(=O)OCCCOCCNC(C)C 34a_100000224655_100000042594 [1,0,0,0,0,1|1,0,1]=4 1590 B13R0.179 CC(=O)OCCCOCCOC(C)C 34a_100000211219_100000042594 [1,0,0,0,0,1|1,0,1]=4 1591 B13R0.179 CC(=O)OCCCOCCOC(C)C 7a_100000211219_100000042594 [1,0,0,0,0,1|1,0,1]=4 1592 B13R0.179 CC(=O)OCCCOCCSC(C)C 34a_200011212901_100000042594 [1,0,0,0,0,1|1,0,1]=4 1593 B13R0.179 CC(=O)OCCCOCCSC(C)C 7a_200011212901_100000042594 [1,0,0,0,0,1|1,0,1]=4 1594 B13R0.179 CC(=O)OCCCSCCC=C(C)C 62a_100000042594_100011217483 [1,0,0,0,0,1|0,0,0]=2 1595 B13R0.179 CC(=O)OCCCSCCC=C(C)C 62a_100011217483_100000042594 [1,0,0,0,0,1|0,0,0]=2 1596 B13R0.179 CC(=O)OCCCSCCC=C(F)F 62a_100000042594_200009816681 [1,0,0,0,0,1|2,0,0]=4 1597 B13R0.179 CC(=O)OCCCSCCC=C(F)F 62a_200009816681_100000042594 [1,0,0,0,0,1|2,0,0]=4 1598 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100000042594_100011214892 [1,0,0,0,0,1|0,0,2]=4 1599 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100011214892_100000042594 [1,0,0,0,0,1|0,0,2]=4 1600 B13R0.179 CC(=O)OCCCSCCCN(C)C 62a_100000042594_100000757444 [1,0,0,0,0,1|1,0,1]=4 1601 B13R0.179 CC(=O)OCCCSCCOC(=O)C 62a_100000042594_100009814007 [1,0,0,0,0,1|2,0,0]=4 1602 B13R0.179 CC(=O)OCCCSCCOC(=O)C 62a_100009814007_100000042594 [1,0,0,0,0,1|2,0,0]=4 1603 B13R0.179 CC(=O)OCCCSCCOC(C)C 62a_100000042594_100000211751 [1,0,0,0,0,1|1,0,1]=4 1604 B13R0.179 CC(=O)OCCCSCCOC(C)C 62a_100000211751_100000042594 [1,0,0,0,0,1|1,0,1]=4 1605 B13R0.179 CC(=O)OCCCSCCSC(C)C 62a_100000042594_100000730970 [1,0,0,0,0,1|1,0,1]=4 1606 B13R0.179 CC(=O)OCCCSCCSC(C)C 62a_100000730970_100000042594 [1,0,0,0,0,1|1,0,1]=4 1607 B13R0.179 CC(=O)OCCNCCCOC(C)C 34a_100000737246_100009814007 [1,0,0,0,0,1|1,0,1]=4 1608 B13R0.179 CC(=O)OCCOCCCCC(C)C 34a_100011214890_100009814007 [1,0,0,0,0,1|0,0,2]=4 1609 B13R0.179 CC(=O)OCCOCCCCC(C)C 7a_100011214890_100009814007 [1,0,0,0,0,1|0,0,2]=4 1610 B13R0.179 CC(=O)OCCOCCCNC(C)C 34a_100000182298_100009814007 [1,0,0,0,0,1|1,0,1]=4 1611 B13R0.179 CC(=O)OCCOCNCC=C(C)C 34a_100000718196_100000076355 [1,0,0,0,0,1|1,0,0]=3 1612 B13R0.179 CC(=O)OCCOCOCC=C(C)C 34a_100000753907_100000076355 [1,0,0,0,0,1|1,0,0]=3 1613 B13R0.179 CC(=O)OCCOCSCC=C(C)C 62a_100000076355_100000761012 [1,0,0,0,0,1|1,0,0]=3 1614 B13R0.179 CC(=O)OCCOCSCC=C(C)C 62a_100000761012_100000076355 [1,0,0,0,0,1|1,0,0]=3 1615 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100009814007_100011216152 [1,0,0,0,0,1|0,0,2]=4 1616 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100011216152_100009814007 [1,0,0,0,0,1|0,0,2]=4 1617 B13R0.179 CC(=O)OCCSCCCCN(C)C 62a_100009814007_100000690147 [1,0,0,0,0,1|1,0,1]=4 1618 B13R0.179 CC(=O)OCCSCCCOC(=S)C 62a_100009814007_200135323944 [1,0,0,0,0,1|2,0,0]=4 1619 B13R0.179 CC(=O)OCCSCCCOC(=S)C 62a_200135323944_100009814007 [1,0,0,0,0,1|2,0,0]=4 1620 B13R0.179 CC(=O)OCCSCCCSC(=O)C 62a_100000038929_100009814007 [1,0,0,0,0,1|2,0,0]=4 1621 B13R0.179 CC(=O)OCCSCCCSC(=O)C 62a_100009814007_100000038929 [1,0,0,0,0,1|2,0,0]=4 1622 B13R0.179 CC(=O)OCNCCCCCC(C)C 34a_100011290863_100009813279 [1,0,0,0,0,1|0,0,2]=4 1623 B13R0.179 CC(=O)OCOCCCCCC(C)C 34a_100011995859_100009813279 [1,0,0,0,0,1|0,0,2]=4 1624 B13R0.179 CC(=O)OCOCCCCNC(C)C 34a_100011521146_100009813279 [1,0,0,0,0,1|1,0,1]=4 1625 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000076356_100000210682 [1,0,0,0,0,1|0,0,2]=4 1626 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000210682_100000076356 [1,0,0,0,0,1|0,0,2]=4 1627 B13R0.179 CC(=O)OCSCCCCSC(=O)C 62a_100000076356_200010402107 [1,0,0,0,0,1|2,0,0]=4 1628 B13R0.179 CC(=O)OCSCCCCSC(=O)C 62a_200010402107_100000076356 [1,0,0,0,0,1|2,0,0]=4 1629 B13R0.179 CC(=O)SCCCCNCC=C(C)C 34a_100000718196_200010402107 [1,0,0,0,0,1|0,1,0]=3 1630 B13R0.179 CC(=O)SCCCCOCC=C(C)C 34a_100000753907_200010402107 [1,0,0,0,0,1|0,1,0]=3 1631 B13R0.179 CC(=O)SCCCCSCC=C(C)C 62a_100000761012_200010402107 [1,0,0,0,0,1|0,1,0]=3 1632 B13R0.179 CC(=O)SCCCCSCC=C(C)C 62a_200010402107_100000761012 [1,0,0,0,0,1|0,1,0]=3 1633 B13R0.179 CC(=O)SCCCSCCC=C(C)C 62a_100000038929_100011217483 [1,0,0,0,0,1|0,1,0]=3 1634 B13R0.179 CC(=O)SCCCSCCC=C(C)C 62a_100011217483_100000038929 [1,0,0,0,0,1|0,1,0]=3 1635 B13R0.179 CC(=S)OCCCSCCC=C(C)C 62a_100011217483_200135323944 [1,0,0,0,0,1|0,1,0]=3 1636 B13R0.179 CC(=S)OCCCSCCC=C(C)C 62a_200135323944_100011217483 [1,0,0,0,0,1|0,1,0]=3 1637 B15R0.221 C=C(Br)CCOCCC(C)CCC=C(C)C 34a_100009813270_100009814015 [0,0,0,0,0,2|1,0,1]=4 1638 B15R0.221 C=C(C)CCOCCC(C)CCC=C(C)C 34a_100000017536_100000730704 [0,0,0,0,0,2|1,0,0]=3 1639 B15R0.221 C=C(C)CCOCCC(C)CCC=C(C)C 34a_100000764851_100009814015 [0,0,0,0,0,2|1,0,0]=3 1640 B15R0.221 C=C(C)CCOCCC(C)CCC=C(C)C 7a_100000017536_100000730704 [0,0,0,0,0,2|1,0,0]=3 1641 B15R0.221 C=C(C)CCSCCC(C)CCC=C(C)C 62a_100000730704_100009814015 [0,0,0,0,0,2|1,1,0]=4 1642 B15R0.221 C=C(C)CCSCCC(C)CCC=C(C)C 62a_100009814015_100000730704 [0,0,0,0,0,2|1,1,0]=4 1643 B15R0.221 CC(=CCCC(C)CCNCC=C(C)C)C 270004a_100000718196_100000212096 [0,0,0,0,0,2|2,0,0]=4 1644 B15R0.221 CC(=CCCC(C)CCNCC=C(C)C)C 34a_100000718196_100009814015 [0,0,0,0,0,2|2,0,0]=4 1645 B15R0.221 CC(=CCCC(C)CCNCCC(=O)N)C 269862a_100000740010_100000212096 [0,0,0,0,0,2|2,0,0]=4 1646 B15R0.221 CC(=CCCC(C)CCNOCC(=O)O)C 269956a_100000106656_100009814015 [0,0,0,0,0,2|1,0,0]=3 1647 B15R0.221 CC(=CCCC(C)CCOCC=C(C)C)C 34a_100000017536_100000761012 [0,0,0,0,0,2|1,0,0]=3 1648 B15R0.221 CC(=CCCC(C)CCOCC=C(C)C)C 34a_100000753907_100009814015 [0,0,0,0,0,2|1,0,0]=3 1649 B15R0.221 CC(=CCCC(C)CCOCC=C(C)C)C 7a_100000017536_100000761012 [0,0,0,0,0,2|1,0,0]=3 1650 B15R0.221 CC(=CCCC(C)CCOCCC(=O)N)C 34a_100000017536_100000731001 [0,0,0,0,0,2|1,0,0]=3 1651 B15R0.221 CC(=CCCC(C)CCOCCC(=O)N)C 34a_100000757172_100009814015 [0,0,0,0,0,2|1,0,0]=3 1652 B15R0.221 CC(=CCCC(C)CCOCCC(=O)N)C 7a_100000017536_100000744528 [0,0,0,0,0,2|1,0,0]=3 1653 B15R0.221 CC(=CCCC(C)CCOCCC(=O)N)C 7a_100000757172_100009814015 [0,0,0,0,0,2|1,0,0]=3 1654 B15R0.221 CC(=CCCC(C)CCOCCC(C)Br)C 34a_100009893172_100009814015 [0,0,0,0,0,2|1,0,1]=4 1655 B15R0.221 CC(=CCCC(C)CCOCCC(C)C)C 34a_100000017536_100000210312 [0,0,0,0,0,2|1,0,1]=4 1656 B15R0.221 CC(=CCCC(C)CCOCCC(C)C)C 34a_100000210254_100009814015 [0,0,0,0,0,2|1,0,1]=4 1657 B15R0.221 CC(=CCCC(C)CCOCCC(C)C)C 7a_100000017536_100000210626 [0,0,0,0,0,2|1,0,1]=4 1658 B15R0.221 CC(=CCCC(C)CCOCCC(C)C)C 7a_100000210254_100009814015 [0,0,0,0,0,2|1,0,1]=4 1659 B15R0.221 CC(=CCCC(C)CCOCCC(C)O)C 34a_100000017536_100012276601 [0,0,0,0,0,2|0,0,2]=4 1660 B15R0.221 CC(=CCCC(C)CCOCCC(C)O)C 7a_100000017536_100012276601 [0,0,0,0,0,2|0,0,2]=4 1661 B15R0.221 CC(=CCCC(C)CCOCCN(C)C)C 7a_100000017536_100000755713 [0,0,0,0,0,2|2,0,0]=4 1662 B15R0.221 CC(=CCCC(C)CCOCC[C@@H](C)N)C 34a_100000706166_100009814015 [0,0,0,0,0,2|1,0,1]=4 1663 B15R0.221 CC(=CCCC(C)CCOCOC(C)C)C 34a_100000017536_100000709892 [0,0,0,0,0,2|1,0,1]=4 1664 B15R0.221 CC(=CCCC(C)CCSCC=C(C)C)C 62a_100000761012_100009814015 [0,0,0,0,0,2|1,1,0]=4 1665 B15R0.221 CC(=CCCC(C)CCSCC=C(C)C)C 62a_100009814015_100000761012 [0,0,0,0,0,2|1,1,0]=4 1666 B15R0.221 CC(=CCCC(C)CCSCCC(=O)N)C 62a_100000744528_100009814015 [0,0,0,0,0,2|1,1,0]=4 1667 B15R0.221 CC(=CCCC(C)CCSCCC(=O)N)C 62a_100009814015_100000744528 [0,0,0,0,0,2|1,1,0]=4 1668 B15R0.221 CC(=CCCC(C)CCSCOC(C)C)C 62a_100000709892_100009814015 [0,0,0,0,0,2|1,0,1]=4 1669 B15R0.221 CC(=CCCC(C)CCSCOC(C)C)C 62a_100009814015_100000709892 [0,0,0,0,0,2|1,0,1]=4 1670 B15R0.221 CC(=CCCC(C)CNCCCS(=O)C)C 270004a_200000753449_100000033009 [0,0,0,0,0,2|2,0,0]=4 1671 B15R0.221 CC(=CCCC(C)CNCCOC(C)C)C 270004a_100000701111_100000033009 [0,0,0,0,0,2|1,0,1]=4 1672 B15R0.221 CC(=CCCC(C)NCCCCC(=O)N)C 270004a_100000696515_100000765506 [0,0,0,0,0,2|2,0,0]=4 1673 B15R0.221 CC(=CCCC(C)NCCCOC(C)C)C 270004a_100000737246_100000765506 [0,0,0,0,0,2|1,0,1]=4 1674 B15R0.221 CC(=CCCC(C)OCCOCC(=O)N)C 34a_100102619829_100000076697 [0,0,0,0,0,2|1,0,0]=3 1675 B15R0.221 CC(=CCCC(C)OCCOCC(=O)N)C 7a_100102619829_100000076697 [0,0,0,0,0,2|1,0,0]=3 1676 B15R0.221 CC(=O)CCCCOC(C)CCC=C(C)C 34a_100102619829_100009817362 [0,0,0,0,0,2|1,0,0]=3 1677 B15R0.221 CC(=O)CCCCOC(C)CCC=C(C)C 7a_100102619829_100000735457 [0,0,0,0,0,2|1,0,0]=3 1678 B15R0.221 CC(=O)CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000053229 [0,0,0,0,0,2|0,0,2]=4 1679 B15R0.221 CC(=O)CCOC/C=C(\C)/CCC=C(C)C 34a_100000759926_100016991246 [0,0,0,0,0,2|0,0,2]=4 1680 B15R0.221 CC(=O)CCOC/C=C(\C)/CCC=C(C)C 7a_100000759926_100016991246 [0,0,0,0,0,2|0,0,2]=4 1681 B15R0.221 CC(=O)CCOCCC(C)CCC=C(C)C 34a_100000759926_100009814015 [0,0,0,0,0,2|0,0,0]=2 1682 B15R0.221 CC(=O)CCOCCC(C)CCC=C(C)C 7a_100000017536_100000053229 [0,0,0,0,0,2|0,0,0]=2 1683 B15R0.221 CC(=O)CCOCCC(C)CCC=C(C)C 7a_100000759926_100009814015 [0,0,0,0,0,2|0,0,0]=2 1684 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 34a_100000759926_100009816328 [0,0,0,0,0,2|0,0,2]=4 1685 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 7a_100000015991_100000053229 [0,0,0,0,0,2|0,0,2]=4 1686 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 7a_100000759926_100009816328 [0,0,0,0,0,2|0,0,2]=4 1687 B15R0.221 CC(=O)CCSC/C=C(\C)/CCC=C(C)C 62a_100000053229_100016991246 [0,0,0,0,0,2|1,0,1]=4 1688 B15R0.221 CC(=O)CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000053229 [0,0,0,0,0,2|1,0,1]=4 1689 B15R0.221 CC(=O)CCSCCC(C)CCC=C(C)C 62a_100000053229_100009814015 [0,0,0,0,0,2|0,1,0]=3 1690 B15R0.221 CC(=O)CCSCCC(C)CCC=C(C)C 62a_100009814015_100000053229 [0,0,0,0,0,2|0,1,0]=3 1691 B15R0.221 CC(=O)NCCCNC(C)CCC=C(C)C 270004a_100000736810_100000765506 [0,0,0,0,0,2|1,0,0]=3 1692 B15R0.221 CC(=O)OCCCOC(C)CCC=C(C)C 34a_100102619829_100000042594 [0,0,0,0,0,2|0,0,0]=2 1693 B15R0.221 CC(=O)OCCCOC(C)CCC=C(C)C 7a_100102619829_100000042594 [0,0,0,0,0,2|0,0,0]=2 1694 B15R0.221 CC(=O)OCCCOC(C)CCCC(C)C 34a_200011218570_100000042594 [0,0,0,0,0,2|0,0,2]=4 1695 B15R0.221 CC(=O)OCCCOC(C)CCCC(C)C 7a_200011218570_100000042594 [0,0,0,0,0,2|0,0,2]=4 1696 B15R0.221 CC(=O)OCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100009813279 [0,0,0,0,0,2|0,0,1]=3 1697 B15R0.221 CC(=O)OCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100009813279 [0,0,0,0,0,2|0,0,1]=3 1698 B15R0.221 CC(=O)OCOCCC(C)CCC=C(C)C 34a_100000017536_100009813279 [0,0,0,0,0,2|0,0,0]=2 1699 B15R0.221 CC(=O)OCOCCC(C)CCCC(C)C 34a_100000015991_100009813279 [0,0,0,0,0,2|0,0,2]=4 1700 B15R0.221 CC(=O)OCSC/C=C(\C)/CCC=C(C)C 62a_100000076356_100016991246 [0,0,0,0,0,2|0,0,1]=3 1701 B15R0.221 CC(=O)OCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000076356 [0,0,0,0,0,2|0,0,1]=3 1702 B15R0.221 CC(=O)OCSCCC(C)CCC=C(C)C 62a_100000076356_100009814015 [0,0,0,0,0,2|0,0,0]=2 1703 B15R0.221 CC(=O)OCSCCC(C)CCC=C(C)C 62a_100009814015_100000076356 [0,0,0,0,0,2|0,0,0]=2 1704 B15R0.221 CC(=O)OCSCCC(C)CCCC(C)C 62a_100000076356_100009816328 [0,0,0,0,0,2|0,0,2]=4 1705 B15R0.221 CC(=O)OCSCCC(C)CCCC(C)C 62a_100009816328_100000076356 [0,0,0,0,0,2|0,0,2]=4 1706 B15R0.221 CC(=O)SCCCOC(C)CCC=C(C)C 34a_100102619829_100000038929 [0,0,0,0,0,2|0,1,0]=3 1707 B15R0.221 CC(=O)SCCCOC(C)CCC=C(C)C 7a_100102619829_100000038929 [0,0,0,0,0,2|0,1,0]=3 1708 B15R0.221 CC(=S)OCCCOC(C)CCC=C(C)C 34a_100102619829_200135323944 [0,0,0,0,0,2|0,1,0]=3 1709 B15R0.221 CC(=S)OCCCOC(C)CCC=C(C)C 7a_100102619829_200135323944 [0,0,0,0,0,2|0,1,0]=3