0 B12R0.233 C#CCCOC(C)CCC=C(C)C 34a_100102619829_100000688953 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.233 C#CCCOC(C)CCC=C(C)C 7a_100102619829_100000688953 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.233 C/C=C/COC(C)CCC=C(C)C 34a_100102619829_100102629194 [0,0,0,0,0,0|3,0,0]=3 3 B12R0.233 C/C=C/COC(C)CCC=C(C)C 7a_100102619829_100102629194 [0,0,0,0,0,0|3,0,0]=3 4 B12R0.233 C=CCCCC(=O)CCC=C(C)C 1458a_100000766728_100011217483 [0,0,0,0,0,0|3,0,1]=4 5 B12R0.233 C=CCCNC(C)CCC=C(C)C 270004a_100015191253_100000765506 [0,0,0,0,0,0|3,0,0]=3 6 B12R0.233 C=CCCOC(C)CCC=C(C)C 34a_100102619829_100000754431 [0,0,0,0,0,0|3,0,0]=3 7 B12R0.233 C=CCCOC(C)CCC=C(C)C 7a_100102619829_100000754431 [0,0,0,0,0,0|3,0,0]=3 8 B12R0.233 C=CCNCC(C)CCC=C(C)C 270004a_100020586998_100000033009 [0,0,0,0,0,0|3,0,0]=3 9 B12R0.233 C=COCCN(C)CCCN(C)C 269982a_100000225831_100000039644 [0,0,0,0,0,0|3,0,1]=4 10 B12R0.233 CC#CCOC(C)CCC=C(C)C 34a_100102619829_100000748600 [0,0,0,0,0,0|3,0,1]=4 11 B12R0.233 CC#CCOC(C)CCC=C(C)C 7a_100102619829_100000748600 [0,0,0,0,0,0|3,0,1]=4 12 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 34a_100016990311_100015361967 [0,0,0,0,0,0|1,0,3]=4 13 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 7a_100016990311_100015361967 [0,0,0,0,0,0|1,0,3]=4 14 B12R0.233 CC(=CCCC(C)CCOCF)C 34a_100000017536_100015361967 [0,0,0,0,0,0|1,0,1]=2 15 B12R0.233 CC(=CCCC(C)CCOCF)C 7a_100000017536_100015361967 [0,0,0,0,0,0|1,0,1]=2 16 B12R0.233 CC(=CCCC(C)CCSCF)C 62a_100009814015_100015361967 [0,0,0,0,0,0|1,1,1]=3 17 B12R0.233 CC(=CCCC(C)CCSCF)C 62a_100015361967_100009814015 [0,0,0,0,0,0|1,1,1]=3 18 B12R0.233 CC(=CCCC(C)CNCCO)C 270004a_100000210304_100000033009 [0,0,0,0,0,0|2,0,2]=4 19 B12R0.233 CC(=CCCC(C)NCCC#N)C 270004a_100000720768_100000765506 [0,0,0,0,0,0|3,0,1]=4 20 B12R0.233 CC(=CCCC(C)NCCCF)C 270004a_100015189416_100000765506 [0,0,0,0,0,0|3,0,1]=4 21 B12R0.233 CC(=CCCC(C)NCCCO)C 270004a_100000182051_100000765506 [0,0,0,0,0,0|2,0,2]=4 22 B12R0.233 CC(=CCCC(C)OCCC#N)C 7a_100102619829_100000184422 [0,0,0,0,0,0|3,0,1]=4 23 B12R0.233 CC(=CCCC(C)OCCCF)C 34a_100102619829_100011934791 [0,0,0,0,0,0|3,0,1]=4 24 B12R0.233 CC(=CCCC(C)OCCCF)C 7a_100102619829_100011934791 [0,0,0,0,0,0|3,0,1]=4 25 B12R0.233 CC(=CCCC(C)OCCCO)C 34a_100102619829_100000230001 [0,0,0,0,0,0|2,0,2]=4 26 B12R0.233 CC(=CCCC(C)OCCCO)C 7a_100102619829_100011215043 [0,0,0,0,0,0|2,0,2]=4 27 B12R0.233 CC(=CCCN(C)CCCCO)C 2230a_100000717598_100011217483 [0,0,0,0,0,0|2,0,2]=4 28 B12R0.233 CC(=CCCN(C)CCCCO)C 269982a_100000717598_100011217483 [0,0,0,0,0,0|2,0,2]=4 29 B12R0.233 CC(=CCNC(C)CCCC#N)C 270004a_100000718196_200000032708 [0,0,0,0,0,0|3,0,1]=4 30 B12R0.233 CC(C)CCCC(C)CCOCF 34a_100000015991_100015361967 [0,0,0,0,0,0|1,0,3]=4 31 B12R0.233 CC(C)CCCC(C)CCOCF 7a_100000015991_100015361967 [0,0,0,0,0,0|1,0,3]=4 32 B12R0.233 CC=CCOC(C)CCC=C(C)C 34a_100102619829_100000070051 [0,0,0,0,0,0|3,0,0]=3 33 B12R0.233 CC=CCOC(C)CCC=C(C)C 7a_100102619829_100000070051 [0,0,0,0,0,0|3,0,0]=3 34 B12R0.233 CCCCCC(C)NCC=C(C)C 2230a_100000211957_100000761012 [0,0,0,0,0,0|3,0,1]=4 35 B12R0.233 CCCCCC(C)NCC=C(C)C 270004a_100000718196_100000211708 [0,0,0,0,0,0|3,0,1]=4 36 B12R0.233 CCCCCC(C)NCC=C(C)C 34a_100000718196_200011218191 [0,0,0,0,0,0|3,0,1]=4 37 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100000753907_200011218191 [0,0,0,0,0,0|3,0,1]=4 38 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100011215632_100000761012 [0,0,0,0,0,0|3,0,1]=4 39 B12R0.233 CCCCCC(C)OCC=C(C)C 7a_100011215632_100000761012 [0,0,0,0,0,0|3,0,1]=4 40 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_100000761012_200011218191 [0,0,0,0,0,0|3,0,1]=4 41 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_200011218191_100000761012 [0,0,0,0,0,0|3,0,1]=4 42 B12R0.233 CCCCCN(C)CCC=C(C)C 2230a_100000223495_100011217483 [0,0,0,0,0,0|3,0,1]=4 43 B12R0.233 CCCCCN(C)CCC=C(C)C 269982a_100000223495_100011217483 [0,0,0,0,0,0|3,0,1]=4 44 B12R0.233 CCCCNC(C)CCC=C(C)C 270004a_100000102301_100000765506 [0,0,0,0,0,0|3,0,1]=4 45 B12R0.233 CCCCOC(C)CCC=C(C)C 34a_100102619829_100000210210 [0,0,0,0,0,0|3,0,1]=4 46 B12R0.233 CCCCOC(C)CCC=C(C)C 7a_100102619829_100000210211 [0,0,0,0,0,0|3,0,1]=4 47 B12R0.233 CCCNCC(C)CCC=C(C)C 270004a_100020643023_100000033009 [0,0,0,0,0,0|3,0,1]=4 48 B12R0.233 CCNCCC(C)CCC=C(C)C 2230a_100015525214_100009814015 [0,0,0,0,0,0|2,0,1]=3 49 B12R0.233 CCNCCC(C)CCC=C(C)C 269862a_100015525214_100000212096 [0,0,0,0,0,0|2,0,1]=3 50 B12R0.233 CCNCCC(C)CCC=C(C)C 270004a_100015525214_100000212096 [0,0,0,0,0,0|2,0,1]=3 51 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210202 [0,0,0,0,0,0|1,0,3]=4 52 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210202 [0,0,0,0,0,0|1,0,3]=4 53 B12R0.233 CCOC/C=C(\C)/CCC=C(C)C 34a_100121572206_100016991246 [0,0,0,0,0,0|1,0,3]=4 54 B12R0.233 CCOCCC(=O)CCC=C(C)C 1458a_100000749530_100011217483 [0,0,0,0,0,0|2,0,2]=4 55 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [0,0,0,0,0,0|1,0,1]=2 56 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [0,0,0,0,0,0|1,0,1]=2 57 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [0,0,0,0,0,0|1,0,1]=2 58 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100000015991_100000210202 [0,0,0,0,0,0|1,0,3]=4 59 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100121572206_100009816328 [0,0,0,0,0,0|1,0,3]=4 60 B12R0.233 CCOCCC(C)CCCC(C)C 7a_100000015991_100000210202 [0,0,0,0,0,0|1,0,3]=4 61 B12R0.233 CCOCCC(C)NCC=C(C)C 270004a_100000718196_200011216536 [0,0,0,0,0,0|2,0,1]=3 62 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100000210202_100009814015 [0,0,0,0,0,0|1,1,1]=3 63 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100009814015_100000210202 [0,0,0,0,0,0|1,1,1]=3 64 B12R0.233 CN(C)CCCN(C)CCCC=O 269982a_100000225831_200011292268 [0,0,0,0,0,0|3,0,1]=4 65 B12R0.233 COCCCC(C)OCC=C(C)C 34a_200011539412_100000761012 [0,0,0,0,0,0|4,0,0]=4 66 B12R0.233 COCCCC(C)OCC=C(C)C 7a_200011539412_100000761012 [0,0,0,0,0,0|4,0,0]=4 67 B12R0.233 COCCCN(C)CCC=C(C)C 2230a_100000224831_100011217483 [0,0,0,0,0,0|4,0,0]=4 68 B12R0.233 COCCCN(C)CCC=C(C)C 269982a_100000224831_100011217483 [0,0,0,0,0,0|4,0,0]=4 69 B12R0.233 COCCNC(C)CCC=C(C)C 270004a_100000209980_100000765506 [0,0,0,0,0,0|4,0,0]=4 70 B12R0.233 COCCOC(C)CCC=C(C)C 34a_100102619829_100011201679 [0,0,0,0,0,0|4,0,0]=4 71 B12R0.233 COCCOC(C)CCC=C(C)C 7a_100102619829_100000233755 [0,0,0,0,0,0|4,0,0]=4 72 B12R0.233 CSCCCC(C)NCC=C(C)C 270004a_100000718196_100011399439 [0,0,0,0,0,0|4,0,0]=4 73 B12R0.233 CSCCNC(C)CCC=C(C)C 270004a_100020590264_100000765506 [0,0,0,0,0,0|4,0,0]=4 74 B12R0.233 CSCCOC(C)CCC=C(C)C 34a_100102619829_100000212216 [0,0,0,0,0,0|4,0,0]=4 75 B12R0.233 CSCCOC(C)CCC=C(C)C 7a_100102619829_100000212216 [0,0,0,0,0,0|4,0,0]=4 76 B11R0.147 C#CCOC(C)CCC=C(C)C 34a_100102619829_100000184674 [1,0,0,0,0,0|2,0,1]=4 77 B11R0.147 C#CCOC(C)CCC=C(C)C 7a_100102619829_100000038162 [1,0,0,0,0,0|2,0,1]=4 78 B11R0.147 C=CCCC(=O)CCC=C(C)C 1458a_100000749702_100011217483 [1,0,0,0,0,0|2,0,1]=4 79 B11R0.147 C=CCCC(C)NCC=C(C)C 270004a_100000718196_100000762624 [1,0,0,0,0,0|2,0,0]=3 80 B11R0.147 C=CCCC(C)OCC=C(C)C 34a_100000765329_100000761012 [1,0,0,0,0,0|2,0,0]=3 81 B11R0.147 C=CCCC(C)OCC=C(C)C 7a_100000765329_100000761012 [1,0,0,0,0,0|2,0,0]=3 82 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [1,0,0,0,0,0|2,0,0]=3 83 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [1,0,0,0,0,0|2,0,0]=3 84 B11R0.147 C=CCNC(C)CCC=C(C)C 270004a_100020586998_100000765506 [1,0,0,0,0,0|2,0,0]=3 85 B11R0.147 C=CCOC(C)CCC=C(C)C 34a_100102619829_100015514636 [1,0,0,0,0,0|2,0,0]=3 86 B11R0.147 C=CCOC(C)CCC=C(C)C 7a_100102619829_100015514636 [1,0,0,0,0,0|2,0,0]=3 87 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [1,0,0,0,0,0|0,0,3]=4 88 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [1,0,0,0,0,0|0,0,3]=4 89 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [1,0,0,0,0,0|0,0,1]=2 90 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [1,0,0,0,0,0|0,0,1]=2 91 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [1,0,0,0,0,0|0,1,1]=3 92 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [1,0,0,0,0,0|0,1,1]=3 93 B11R0.147 CC(=CCCC(C)NCCO)C 270004a_100000210304_100000765506 [1,0,0,0,0,0|1,0,2]=4 94 B11R0.147 CC(=CCCC(C)OCC#N)C 7a_100102619829_100011215382 [1,0,0,0,0,0|2,0,1]=4 95 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [1,0,0,0,0,0|1,0,0]=2 96 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [1,0,0,0,0,0|1,0,0]=2 97 B11R0.147 CC(=CCCC(C)OCCF)C 34a_100102619829_100011217306 [1,0,0,0,0,0|2,0,1]=4 98 B11R0.147 CC(=CCCC(C)OCCF)C 7a_100102619829_100011217306 [1,0,0,0,0,0|2,0,1]=4 99 B11R0.147 CC(=CCCC(C)OCCO)C 34a_100102619829_100000211926 [1,0,0,0,0,0|1,0,2]=4 100 B11R0.147 CC(=CCCC(C)OCCO)C 7a_100102619829_100000211926 [1,0,0,0,0,0|1,0,2]=4 101 B11R0.147 CC(=CCCN(C)CCC#N)C 2230a_100000184479_100011217483 [1,0,0,0,0,0|2,0,1]=4 102 B11R0.147 CC(=CCCN(C)CCCO)C 2230a_100000213112_100011217483 [1,0,0,0,0,0|1,0,2]=4 103 B11R0.147 CC(=CCCN(C)CCCO)C 269982a_100000213112_100011217483 [1,0,0,0,0,0|1,0,2]=4 104 B11R0.147 CC(=CCOC(C)CCCCl)C 34a_200000718107_100000761012 [1,0,0,0,0,0|2,0,1]=4 105 B11R0.147 CC(=CCOC(C)CCCCl)C 7a_200000718107_100000761012 [1,0,0,0,0,0|2,0,1]=4 106 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 34a_100000015991_200025704644 [1,0,0,0,0,0|0,0,3]=4 107 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 7a_100000015991_200025704644 [1,0,0,0,0,0|0,0,3]=4 108 B11R0.147 CC(C)CCCC(C)NCC=O 2230a_100000210607_200015260668 [1,0,0,0,0,0|1,0,2]=4 109 B11R0.147 CC(C)CCCC(C)OCC=O 34a_200011218570_200009817547 [1,0,0,0,0,0|1,0,2]=4 110 B11R0.147 CC(C)CCCC(C)OCC=O 7a_200011218570_200015260668 [1,0,0,0,0,0|1,0,2]=4 111 B11R0.147 CCCCC(C)NCC=C(C)C 2230a_100000126638_100000761012 [1,0,0,0,0,0|2,0,1]=4 112 B11R0.147 CCCCC(C)NCC=C(C)C 270004a_100000718196_100000210087 [1,0,0,0,0,0|2,0,1]=4 113 B11R0.147 CCCCC(C)NCC=C(C)C 34a_100000718196_200011215066 [1,0,0,0,0,0|2,0,1]=4 114 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000687866_100000761012 [1,0,0,0,0,0|2,0,1]=4 115 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000753907_200011215066 [1,0,0,0,0,0|2,0,1]=4 116 B11R0.147 CCCCC(C)OCC=C(C)C 7a_100000687866_100000761012 [1,0,0,0,0,0|2,0,1]=4 117 B11R0.147 CCCCC(C)SCC=C(C)C 62a_100000761012_200011215066 [1,0,0,0,0,0|2,0,1]=4 118 B11R0.147 CCCCC(C)SCC=C(C)C 62a_200011215066_100000761012 [1,0,0,0,0,0|2,0,1]=4 119 B11R0.147 CCCCN(C)CCC=C(C)C 2230a_100000207549_100011217483 [1,0,0,0,0,0|2,0,1]=4 120 B11R0.147 CCCCN(C)CCC=C(C)C 269982a_100000207549_100011217483 [1,0,0,0,0,0|2,0,1]=4 121 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [1,0,0,0,0,0|2,0,1]=4 122 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [1,0,0,0,0,0|2,0,1]=4 123 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [1,0,0,0,0,0|2,0,1]=4 124 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [1,0,0,0,0,0|2,0,1]=4 125 B11R0.147 CCOCC(C)OCC=C(C)C 34a_100000718985_100000761012 [1,0,0,0,0,0|2,0,1]=4 126 B11R0.147 CCOCC(C)OCC=C(C)C 7a_100000718985_100000761012 [1,0,0,0,0,0|2,0,1]=4 127 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [1,0,0,0,0,0|1,0,1]=3 128 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [1,0,0,0,0,0|1,0,1]=3 129 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [1,0,0,0,0,0|1,0,1]=3 130 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [1,0,0,0,0,0|1,0,1]=3 131 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [1,0,0,0,0,0|1,0,1]=3 132 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [1,0,0,0,0,0|0,0,3]=4 133 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [1,0,0,0,0,0|0,0,3]=4 134 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [1,0,0,0,0,0|0,0,3]=4 135 B11R0.147 COCCC(=O)CCC=C(C)C 1458a_100000749529_100011217483 [1,0,0,0,0,0|1,0,2]=4 136 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [1,0,0,0,0,0|0,0,1]=2 137 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [1,0,0,0,0,0|0,0,1]=2 138 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [1,0,0,0,0,0|0,0,1]=2 139 B11R0.147 COCCC(C)CCCC(C)C 34a_100000015991_200000210301 [1,0,0,0,0,0|0,0,3]=4 140 B11R0.147 COCCC(C)CCCC(C)C 34a_100138415774_100009816328 [1,0,0,0,0,0|0,0,3]=4 141 B11R0.147 COCCC(C)CCCC(C)C 7a_100000015991_200000210301 [1,0,0,0,0,0|0,0,3]=4 142 B11R0.147 COCCC(C)NCC=C(C)C 270004a_100000718196_100000742357 [1,0,0,0,0,0|1,0,1]=3 143 B11R0.147 COCCN(C)CCC=C(C)C 2230a_100000743101_100011217483 [1,0,0,0,0,0|1,0,1]=3 144 B11R0.147 COCCN(C)CCC=C(C)C 269982a_100000743101_100011217483 [1,0,0,0,0,0|1,0,1]=3 145 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [1,0,0,0,0,0|0,1,1]=3 146 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [1,0,0,0,0,0|0,1,1]=3 147 B11R0.147 CSCCC(C)NCC=C(C)C 270004a_100000718196_100011217047 [1,0,0,0,0,0|1,1,1]=4 148 B11R0.147 CSCCN(C)CCC=C(C)C 2230a_100000686725_100011217483 [1,0,0,0,0,0|1,1,1]=4 149 B11R0.147 CSCCN(C)CCC=C(C)C 269982a_100000686725_100011217483 [1,0,0,0,0,0|1,1,1]=4 150 B11R0.147 CSCOC(C)CCC=C(C)C 34a_100102619829_100011218213 [1,0,0,0,0,0|1,1,1]=4 151 B11R0.148 C/C=C/CCOCCC=C(C)C 34a_100016278192_100011217483 [1,0,0,0,0,0|3,0,0]=4 152 B11R0.148 C=CCCCCNCC=C(C)C 2230a_100000703577_100000761012 [1,0,0,0,0,0|3,0,0]=4 153 B11R0.148 C=CCCCCNCC=C(C)C 34a_100000703577_100000761012 [1,0,0,0,0,0|3,0,0]=4 154 B11R0.148 C=CCCCCNCC=C(C)C 34a_100000718196_100011215482 [1,0,0,0,0,0|3,0,0]=4 155 B11R0.148 C=CCCCCOCC=C(C)C 34a_100000753907_100011215482 [1,0,0,0,0,0|3,0,0]=4 156 B11R0.148 C=CCCCCOCC=C(C)C 34a_100000766645_100000761012 [1,0,0,0,0,0|3,0,0]=4 157 B11R0.148 C=CCCCCOCC=C(C)C 7a_100000766645_100000761012 [1,0,0,0,0,0|3,0,0]=4 158 B11R0.148 C=CCCCCSCC=C(C)C 62a_100000761012_100011215482 [1,0,0,0,0,0|3,0,0]=4 159 B11R0.148 C=CCCCCSCC=C(C)C 62a_100011215482_100000761012 [1,0,0,0,0,0|3,0,0]=4 160 B11R0.148 C=CCCCNCCC=C(C)C 2230a_100000700776_100011217483 [1,0,0,0,0,0|3,0,0]=4 161 B11R0.148 C=CCCCNCCC=C(C)C 34a_100000700776_100011217483 [1,0,0,0,0,0|3,0,0]=4 162 B11R0.148 C=CCCCOCCC=C(C)C 34a_100000758997_100011217483 [1,0,0,0,0,0|3,0,0]=4 163 B11R0.148 C=CCCCOCCC=C(C)C 7a_100000758997_100011217483 [1,0,0,0,0,0|3,0,0]=4 164 B11R0.148 C=CCCCSCCC=C(C)C 62a_100011217483_100000757094 [1,0,0,0,0,0|3,0,0]=4 165 B11R0.148 C=CCCCSCCC=C(C)C 62a_100011713584_100011217483 [1,0,0,0,0,0|3,0,0]=4 166 B11R0.148 C=COCCCNCC=C(C)C 2230a_100000210767_100000761012 [1,0,0,0,0,0|2,0,0]=3 167 B11R0.148 C=COCCCNCC=C(C)C 34a_100000210767_100000761012 [1,0,0,0,0,0|2,0,0]=3 168 B11R0.148 C=COCCOCCC=C(C)C 34a_100000033082_100011217483 [1,0,0,0,0,0|2,0,0]=3 169 B11R0.148 C=COCCSCCC=C(C)C 62a_100000039644_100011217483 [1,0,0,0,0,0|2,0,0]=3 170 B11R0.148 C=COCCSCCC=C(C)C 62a_100011217483_100000039644 [1,0,0,0,0,0|2,0,0]=3 171 B11R0.148 CC(=CCCSCCCC=O)C 62a_100011217483_200011292268 [1,0,0,0,0,0|2,0,0]=3 172 B11R0.148 CC(=CCCSCCCC=O)C 62a_200011292268_100011217483 [1,0,0,0,0,0|2,0,0]=3 173 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000139335_100000761012 [1,0,0,0,0,0|2,0,0]=3 174 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000761012_100000139335 [1,0,0,0,0,0|2,0,0]=3 175 B11R0.148 CC=CCCCOCC=C(C)C 34a_100020645299_100000761012 [1,0,0,0,0,0|3,0,0]=4 176 B11R0.148 CCOCCCNCC=C(C)C 2230a_100000210961_100000761012 [1,0,0,0,0,0|2,0,1]=4 177 B11R0.148 CCOCCCNCC=C(C)C 34a_100000210961_100000761012 [1,0,0,0,0,0|2,0,1]=4 178 B11R0.148 CCOCCCNCC=C(C)C 34a_100000718196_100012232248 [1,0,0,0,0,0|2,0,1]=4 179 B11R0.148 CCOCCCOCC=C(C)C 34a_100000753907_100012232248 [1,0,0,0,0,0|2,0,1]=4 180 B11R0.148 CCOCCCOCC=C(C)C 34a_100000757476_100000761012 [1,0,0,0,0,0|2,0,1]=4 181 B11R0.148 CCOCCCOCC=C(C)C 7a_100000757476_100000761012 [1,0,0,0,0,0|2,0,1]=4 182 B11R0.148 CCOCCCSCC=C(C)C 62a_100000761012_100012232248 [1,0,0,0,0,0|2,0,1]=4 183 B11R0.148 CCOCCCSCC=C(C)C 62a_100012232248_100000761012 [1,0,0,0,0,0|2,0,1]=4 184 B11R0.148 CCOCCNCCC=C(C)C 2230a_102516460346_100011217483 [1,0,0,0,0,0|2,0,1]=4 185 B11R0.148 CCOCCNCCC=C(C)C 34a_102516460346_100011217483 [1,0,0,0,0,0|2,0,1]=4 186 B11R0.148 CCOCCOCCC=C(C)C 34a_100000210136_100011217483 [1,0,0,0,0,0|2,0,1]=4 187 B11R0.148 CCOCCOCCC=C(C)C 7a_100000210136_100011217483 [1,0,0,0,0,0|2,0,1]=4 188 B11R0.148 CCOCCSCCC=C(C)C 62a_100000210147_100011217483 [1,0,0,0,0,0|2,0,1]=4 189 B11R0.148 CCOCCSCCC=C(C)C 62a_100011217483_100011215890 [1,0,0,0,0,0|2,0,1]=4 190 B13R0.1 C#CCCCNC(C)CCC=C(C)C 270004a_100000718082_100000765506 [0,1,0,0,0,0|2,0,1]=4 191 B13R0.1 C#CCCCOC(C)CCC=C(C)C 34a_100102619829_100000695029 [0,1,0,0,0,0|2,0,1]=4 192 B13R0.1 C#CCCCOC(C)CCC=C(C)C 7a_100102619829_100011215417 [0,1,0,0,0,0|2,0,1]=4 193 B13R0.1 C#CCNCCC(C)CCC=C(C)C 34a_100000212058_100009814015 [0,1,0,0,0,0|2,0,1]=4 194 B13R0.1 C#CCOCCC(C)CCC=C(C)C 34a_100000017536_100000184674 [0,1,0,0,0,0|1,0,1]=3 195 B13R0.1 C#CCOCCC(C)CCC=C(C)C 34a_100000210247_100009814015 [0,1,0,0,0,0|1,0,1]=3 196 B13R0.1 C#CCOCCC(C)CCC=C(C)C 7a_100000017536_100000038162 [0,1,0,0,0,0|1,0,1]=3 197 B13R0.1 C#CCSCCC(C)CCC=C(C)C 62a_100000038162_100009814015 [0,1,0,0,0,0|1,1,1]=4 198 B13R0.1 C=CCCCCN(C)CCC=C(C)C 2230a_100012000471_100011217483 [0,1,0,0,0,0|3,0,0]=4 199 B13R0.1 C=CCCCCN(C)CCC=C(C)C 269982a_100012000471_100011217483 [0,1,0,0,0,0|3,0,0]=4 200 B13R0.1 C=CCCCNC(C)CCC=C(C)C 270004a_100000700776_100000765506 [0,1,0,0,0,0|2,0,0]=3 201 B13R0.1 C=CCCCOC(C)CCC=C(C)C 34a_100102619829_100000757094 [0,1,0,0,0,0|2,0,0]=3 202 B13R0.1 C=CCCCOC(C)CCC=C(C)C 7a_100102619829_100000757094 [0,1,0,0,0,0|2,0,0]=3 203 B13R0.1 C=CCCNCC(C)CCC=C(C)C 270004a_100015191253_100000033009 [0,1,0,0,0,0|2,0,0]=3 204 B13R0.1 C=CCNCCC(C)CCC=C(C)C 2230a_100020586998_100009814015 [0,1,0,0,0,0|2,0,0]=3 205 B13R0.1 C=CCNCCC(C)CCC=C(C)C 270004a_100020586998_100000212096 [0,1,0,0,0,0|2,0,0]=3 206 B13R0.1 C=CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100015514636 [0,1,0,0,0,0|1,0,2]=4 207 B13R0.1 C=CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100015514636 [0,1,0,0,0,0|1,0,2]=4 208 B13R0.1 C=CCOC/C=C(\C)/CCC=C(C)C 34a_200000210373_100016991246 [0,1,0,0,0,0|1,0,2]=4 209 B13R0.1 C=CCOCCC(=O)CCC=C(C)C 1458a_200011217002_100011217483 [0,1,0,0,0,0|2,0,1]=4 210 B13R0.1 C=CCOCCC(C)CCC=C(C)C 34a_100000017536_100015514636 [0,1,0,0,0,0|1,0,0]=2 211 B13R0.1 C=CCOCCC(C)CCC=C(C)C 34a_200000210373_100009814015 [0,1,0,0,0,0|1,0,0]=2 212 B13R0.1 C=CCOCCC(C)CCC=C(C)C 7a_100000017536_100015514636 [0,1,0,0,0,0|1,0,0]=2 213 B13R0.1 C=CCOCCC(C)CCCC(C)C 34a_100000015991_100015514636 [0,1,0,0,0,0|1,0,2]=4 214 B13R0.1 C=CCOCCC(C)CCCC(C)C 34a_200000210373_100009816328 [0,1,0,0,0,0|1,0,2]=4 215 B13R0.1 C=CCOCCC(C)CCCC(C)C 7a_100000015991_100015514636 [0,1,0,0,0,0|1,0,2]=4 216 B13R0.1 C=CCSCCC(C)CCC=C(C)C 62a_100000210623_100009814015 [0,1,0,0,0,0|1,1,0]=3 217 B13R0.1 C=CCSCCC(C)CCC=C(C)C 62a_100009814015_100000210623 [0,1,0,0,0,0|1,1,0]=3 218 B13R0.1 C=COCCNC(C)CCCC(C)C 2230a_100000210607_100000039644 [0,1,0,0,0,0|1,0,2]=4 219 B13R0.1 C=COCCOC(C)CCC=C(C)C 34a_100102619829_100000039644 [0,1,0,0,0,0|1,0,0]=2 220 B13R0.1 C=COCCOC(C)CCC=C(C)C 7a_100102619829_100000039644 [0,1,0,0,0,0|1,0,0]=2 221 B13R0.1 C=COCCOC(C)CCCC(C)C 34a_200011218570_100000039644 [0,1,0,0,0,0|1,0,2]=4 222 B13R0.1 C=COCCOC(C)CCCC(C)C 7a_200011218570_100000039644 [0,1,0,0,0,0|1,0,2]=4 223 B13R0.1 CC(=CCC/C(=C/CNCC=O)/C)C 2230a_200020676162_200015260668 [0,1,0,0,0,0|1,0,2]=4 224 B13R0.1 CC(=CCC/C(=C/CNCC=O)/C)C 34a_200020676162_200009817547 [0,1,0,0,0,0|1,0,2]=4 225 B13R0.1 CC(=CCC/C(=C/CSCC=O)/C)C 62a_100016991246_200015260668 [0,1,0,0,0,0|0,1,2]=4 226 B13R0.1 CC(=CCC/C(=C/CSCC=O)/C)C 62a_200015260668_100016991246 [0,1,0,0,0,0|0,1,2]=4 227 B13R0.1 CC(=CCC/C(=C\COCC=O)/C)C 34a_100016990311_200009817547 [0,1,0,0,0,0|0,0,2]=3 228 B13R0.1 CC(=CCC/C(=C\COCC=O)/C)C 7a_100016990311_200015260668 [0,1,0,0,0,0|0,0,2]=3 229 B13R0.1 CC(=CCCC(C)CCNCCF)C 269862a_100000724931_100000212096 [0,1,0,0,0,0|2,0,1]=4 230 B13R0.1 CC(=CCCC(C)CCNCCF)C 34a_100000724931_100009814015 [0,1,0,0,0,0|2,0,1]=4 231 B13R0.1 CC(=CCCC(C)CCNCCO)C 2230a_100016997473_100009814015 [0,1,0,0,0,0|1,0,2]=4 232 B13R0.1 CC(=CCCC(C)CCNCCO)C 269862a_100000210304_100000212096 [0,1,0,0,0,0|1,0,2]=4 233 B13R0.1 CC(=CCCC(C)CCNCCO)C 270004a_100000210304_100000212096 [0,1,0,0,0,0|1,0,2]=4 234 B13R0.1 CC(=CCCC(C)CCNCCO)C 34a_100016990907_100009814015 [0,1,0,0,0,0|1,0,2]=4 235 B13R0.1 CC(=CCCC(C)CCOCC#N)C 7a_100000017536_100011215382 [0,1,0,0,0,0|1,0,1]=3 236 B13R0.1 CC(=CCCC(C)CCOCC=O)C 34a_100000017536_200009817547 [0,1,0,0,0,0|0,0,0]=1 237 B13R0.1 CC(=CCCC(C)CCOCC=O)C 7a_100000017536_200015260668 [0,1,0,0,0,0|0,0,0]=1 238 B13R0.1 CC(=CCCC(C)CCOCCBr)C 34a_100000211926_100009814015 [0,1,0,0,0,0|1,0,1]=3 239 B13R0.1 CC(=CCCC(C)CCOCCF)C 34a_100000017536_100011217306 [0,1,0,0,0,0|1,0,1]=3 240 B13R0.1 CC(=CCCC(C)CCOCCF)C 7a_100000017536_100011217306 [0,1,0,0,0,0|1,0,1]=3 241 B13R0.1 CC(=CCCC(C)CCOCCN)C 34a_100000210304_100009814015 [0,1,0,0,0,0|1,0,1]=3 242 B13R0.1 CC(=CCCC(C)CCOCCO)C 34a_100000017536_100000211926 [0,1,0,0,0,0|0,0,2]=3 243 B13R0.1 CC(=CCCC(C)CCOCCO)C 7a_100000017536_100000211926 [0,1,0,0,0,0|0,0,2]=3 244 B13R0.1 CC(=CCCC(C)CCSCC#N)C 62a_100009814015_100011215382 [0,1,0,0,0,0|1,1,1]=4 245 B13R0.1 CC(=CCCC(C)CCSCC#N)C 62a_100011215382_100009814015 [0,1,0,0,0,0|1,1,1]=4 246 B13R0.1 CC(=CCCC(C)CCSCC=O)C 62a_100009814015_200015260668 [0,1,0,0,0,0|0,1,0]=2 247 B13R0.1 CC(=CCCC(C)CCSCC=O)C 62a_200015260668_100009814015 [0,1,0,0,0,0|0,1,0]=2 248 B13R0.1 CC(=CCCC(C)CCSCCF)C 62a_100009814015_100011217306 [0,1,0,0,0,0|1,1,1]=4 249 B13R0.1 CC(=CCCC(C)CCSCCF)C 62a_100011217306_100009814015 [0,1,0,0,0,0|1,1,1]=4 250 B13R0.1 CC(=CCCC(C)CCSCCO)C 62a_100000211926_100009814015 [0,1,0,0,0,0|0,1,2]=4 251 B13R0.1 CC(=CCCC(C)CCSCCO)C 62a_100009814015_100000211926 [0,1,0,0,0,0|0,1,2]=4 252 B13R0.1 CC(=CCCC(C)CNCCC#N)C 270004a_100000720768_100000033009 [0,1,0,0,0,0|2,0,1]=4 253 B13R0.1 CC(=CCCC(C)CNCCCF)C 270004a_100015189416_100000033009 [0,1,0,0,0,0|2,0,1]=4 254 B13R0.1 CC(=CCCC(C)CNCCCO)C 270004a_100000182051_100000033009 [0,1,0,0,0,0|1,0,2]=4 255 B13R0.1 CC(=CCCC(C)NCCCCO)C 270004a_100000750430_100000765506 [0,1,0,0,0,0|1,0,2]=4 256 B13R0.1 CC(=CCCC(C)OCCCC#N)C 7a_100102619829_100000687738 [0,1,0,0,0,0|2,0,1]=4 257 B13R0.1 CC(=CCCC(C)OCCCC=O)C 7a_100102619829_200011292268 [0,1,0,0,0,0|1,0,0]=2 258 B13R0.1 CC(=CCCC(C)OCCCCF)C 34a_100102619829_100000729493 [0,1,0,0,0,0|2,0,1]=4 259 B13R0.1 CC(=CCCC(C)OCCCCF)C 7a_100102619829_100000729493 [0,1,0,0,0,0|2,0,1]=4 260 B13R0.1 CC(=CCCC(C)OCCCCO)C 34a_100102619829_100011216708 [0,1,0,0,0,0|1,0,2]=4 261 B13R0.1 CC(=CCCC(C)OCCCCO)C 7a_100102619829_100000210776 [0,1,0,0,0,0|1,0,2]=4 262 B13R0.1 CC(=CCCN(C)CCOCCO)C 2230a_100000228057_100011217483 [0,1,0,0,0,0|1,0,2]=4 263 B13R0.1 CC(=CCCN(C)CCOCCO)C 269982a_100000228057_100011217483 [0,1,0,0,0,0|1,0,2]=4 264 B13R0.1 CC(C)CCCC(C)CCNCC=O 2230a_102516457229_200015260668 [0,1,0,0,0,0|1,0,2]=4 265 B13R0.1 CC(C)CCCC(C)CCOCC=O 34a_100000015991_200009817547 [0,1,0,0,0,0|0,0,2]=3 266 B13R0.1 CC(C)CCCC(C)CCOCC=O 7a_100000015991_200015260668 [0,1,0,0,0,0|0,0,2]=3 267 B13R0.1 CC(C)CCCC(C)CCSCC=O 62a_100009816328_200015260668 [0,1,0,0,0,0|0,1,2]=4 268 B13R0.1 CC(C)CCCC(C)CCSCC=O 62a_200015260668_100009816328 [0,1,0,0,0,0|0,1,2]=4 269 B13R0.1 CC(C)CCCC(C)NCCCC=O 2230a_100000210607_200011292268 [0,1,0,0,0,0|1,0,2]=4 270 B13R0.1 CC(C)CCCC(C)OCCCC=O 7a_200011218570_200011292268 [0,1,0,0,0,0|1,0,2]=4 271 B13R0.1 CC/C=C\COC(C)CCC=C(C)C 34a_100102619829_100103147603 [0,1,0,0,0,0|3,0,0]=4 272 B13R0.1 CC/C=C\COC(C)CCC=C(C)C 7a_100102619829_100103147603 [0,1,0,0,0,0|3,0,0]=4 273 B13R0.1 CCCCCNC(C)CCC=C(C)C 270004a_100000209983_100000765506 [0,1,0,0,0,0|2,0,1]=4 274 B13R0.1 CCCCCOC(C)CCC=C(C)C 34a_100102619829_100000718602 [0,1,0,0,0,0|2,0,1]=4 275 B13R0.1 CCCCCOC(C)CCC=C(C)C 7a_100102619829_100000210326 [0,1,0,0,0,0|2,0,1]=4 276 B13R0.1 CCCCNCC(C)CCC=C(C)C 270004a_100000102301_100000033009 [0,1,0,0,0,0|2,0,1]=4 277 B13R0.1 CCCNCCC(C)CCC=C(C)C 269862a_100020643023_100000212096 [0,1,0,0,0,0|2,0,1]=4 278 B13R0.1 CCCNCCC(C)CCC=C(C)C 270004a_100020643023_100000212096 [0,1,0,0,0,0|2,0,1]=4 279 B13R0.1 CCCOCCC(C)CCC=C(C)C 34a_100000017536_100000210303 [0,1,0,0,0,0|1,0,1]=3 280 B13R0.1 CCCOCCC(C)CCC=C(C)C 34a_100000210258_100009814015 [0,1,0,0,0,0|1,0,1]=3 281 B13R0.1 CCCOCCC(C)CCC=C(C)C 7a_100000017536_100000210303 [0,1,0,0,0,0|1,0,1]=3 282 B13R0.1 CCCSCCC(C)CCC=C(C)C 62a_100000210303_100009814015 [0,1,0,0,0,0|1,1,1]=4 283 B13R0.1 CCCSCCC(C)CCC=C(C)C 62a_100009814015_100000210303 [0,1,0,0,0,0|1,1,1]=4 284 B13R0.1 CCOCCNC(C)CCC=C(C)C 270004a_102516460346_100000765506 [0,1,0,0,0,0|1,0,1]=3 285 B13R0.1 CCOCCOC(C)CCC=C(C)C 34a_100102619829_100000210147 [0,1,0,0,0,0|1,0,1]=3 286 B13R0.1 CCOCCOC(C)CCC=C(C)C 7a_100102619829_100011215890 [0,1,0,0,0,0|1,0,1]=3 287 B13R0.1 CCSCCNC(C)CCC=C(C)C 270004a_100000106463_100000765506 [0,1,0,0,0,0|1,1,1]=4 288 B13R0.1 CCSCCOC(C)CCC=C(C)C 34a_100102619829_100000757381 [0,1,0,0,0,0|1,1,1]=4 289 B13R0.1 CCSCCOC(C)CCC=C(C)C 7a_100102619829_100000757381 [0,1,0,0,0,0|1,1,1]=4 290 B13R0.1 COCCCNC(C)CCC=C(C)C 270004a_100150723488_100000765506 [0,1,0,0,0,0|3,0,0]=4 291 B13R0.1 COCCCOC(C)CCC=C(C)C 34a_100102619829_100000740836 [0,1,0,0,0,0|3,0,0]=4 292 B13R0.1 COCCCOC(C)CCC=C(C)C 7a_100102619829_100000740836 [0,1,0,0,0,0|3,0,0]=4 293 B13R0.1 COCCNCC(C)CCC=C(C)C 270004a_100000209980_100000033009 [0,1,0,0,0,0|3,0,0]=4 294 B13R0.1 COCSCCC(C)CCC=C(C)C 62a_100000766300_100009814015 [0,1,0,0,0,0|0,1,2]=4 295 B13R0.1 COCSCCC(C)CCC=C(C)C 62a_100009814015_100000766300 [0,1,0,0,0,0|0,1,2]=4 296 B13R0.1 CSCCCNC(C)CCC=C(C)C 270004a_100000749238_100000765506 [0,1,0,0,0,0|3,0,0]=4 297 B13R0.1 CSCCNCC(C)CCC=C(C)C 270004a_100020590264_100000033009 [0,1,0,0,0,0|3,0,0]=4 298 B13R0.1 CSCOCCC(C)CCC=C(C)C 34a_100000017536_100011218213 [0,1,0,0,0,0|0,1,1]=3 299 B13R0.1 CSCSCCC(C)CCC=C(C)C 62a_100009814015_100011218213 [0,1,0,0,0,0|0,2,1]=4 300 B13R0.1 CSCSCCC(C)CCC=C(C)C 62a_100011218213_100009814015 [0,1,0,0,0,0|0,2,1]=4 301 B13R0.331 C=CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000210623 [0,1,0,0,0,0|2,0,1]=4 302 B13R0.331 C=CCN(C)CC(C)CCC=C(C)C 270004a_100000225617_100000033009 [0,1,0,0,0,0|3,0,0]=4 303 B13R0.345 C=CCCN(C)C(C)CCC=C(C)C 270004a_100020639649_100000765506 [0,1,0,0,0,0|3,0,0]=4 304 B13R0.493 C#CC(=O)CCC(C)CCC=C(C)C 1458a_100000211873_100009814015 [0,1,0,0,0,0|2,0,1]=4 305 B13R0.493 C=CC(=O)CCC(C)CCC=C(C)C 1458a_100000185746_100009814015 [0,1,0,0,0,0|2,0,0]=3 306 B13R0.493 C=CC(O)COC(C)CCC=C(C)C 34a_100102619829_100000730141 [0,1,0,0,0,0|3,0,0]=4 307 B13R0.493 C=CC(O)COC(C)CCC=C(C)C 7a_100102619829_100000730141 [0,1,0,0,0,0|3,0,0]=4 308 B13R0.493 CC(=CCCC(C)CCC(=O)CO)C 1458a_100000210174_100009814015 [0,1,0,0,0,0|1,0,2]=4 309 B13R0.493 CCC(=O)CCC(C)CCC=C(C)C 1458a_100000210414_100009814015 [0,1,0,0,0,0|2,0,1]=4 310 B13R0.493 CCN(C)CCC(C)CCC=C(C)C 2230a_100000225621_100009814015 [0,1,0,0,0,0|2,0,1]=4 311 B13R0.493 CCN(C)CCC(C)CCC=C(C)C 269982a_100000225621_100009814015 [0,1,0,0,0,0|2,0,1]=4 312 B13R0.1398 C=C(C)CCOC(C)CCC=C(C)C 34a_100102619829_100000730704 [0,1,0,0,0,0|3,0,0]=4 313 B13R0.1398 C=C(C)CCOC(C)CCC=C(C)C 7a_100102619829_100000730704 [0,1,0,0,0,0|3,0,0]=4 314 B13R0.1398 CC(=CCCC(=O)CCNC(=O)N)C 1458a_100000181464_100011217483 [0,1,0,0,0,0|2,0,1]=4 315 B13R0.1398 CC(=CCCC(C)CCNC(C)C)C 2230a_100138425928_100009814015 [0,1,0,0,0,0|2,0,1]=4 316 B13R0.1398 CC(=CCCC(C)CCNC(C)C)C 34a_100138425928_100009814015 [0,1,0,0,0,0|2,0,1]=4 317 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 34a_100000017536_100000210206 [0,1,0,0,0,0|1,0,1]=3 318 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 34a_100000212225_100009814015 [0,1,0,0,0,0|1,0,1]=3 319 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 7a_100000017536_100000210206 [0,1,0,0,0,0|1,0,1]=3 320 B13R0.1398 CC(=CCCC(C)CCSC(C)C)C 62a_100000210206_100009814015 [0,1,0,0,0,0|1,1,1]=4 321 B13R0.1398 CC(=CCCC(C)CCSC(C)C)C 62a_100009814015_100000210206 [0,1,0,0,0,0|1,1,1]=4 322 B13R0.1398 CC(=CCCC(C)NCC=C(C)C)C 270004a_100000718196_100000765506 [0,1,0,0,0,0|3,0,0]=4 323 B13R0.1398 CC(=CCCC(C)OCC=C(C)C)C 34a_100102619829_100000761012 [0,1,0,0,0,0|3,0,0]=4 324 B13R0.1398 CC(=CCCC(C)OCC=C(C)C)C 7a_100102619829_100000761012 [0,1,0,0,0,0|3,0,0]=4 325 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 34a_100102619829_100000731001 [0,1,0,0,0,0|2,0,0]=3 326 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 7a_100102619829_100000744528 [0,1,0,0,0,0|2,0,0]=3 327 B13R0.1398 CC(=CCCC(C)OCOC(C)C)C 34a_100102619829_100000709892 [0,1,0,0,0,0|2,0,1]=4 328 B13R0.1398 CC(=CCCN(C)CCCC(=O)O)C 269956a_100000719178_100011217483 [0,1,0,0,0,0|2,0,0]=3 329 B13R0.1398 CC(=CCNC(C)CCOC(C)C)C 270004a_100000718196_200011219172 [0,1,0,0,0,0|2,0,1]=4 330 B13R0.1398 CC(=CCOC(C)CCCC(=O)[O-])C 7a_100000761597_100000761012 [0,1,0,0,0,0|2,0,0]=3 331 B13R0.1398 CC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000053229 [0,1,0,0,0,0|2,0,0]=3 332 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100015343762 [0,1,0,0,0,0|1,0,2]=4 333 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100015343762 [0,1,0,0,0,0|1,0,2]=4 334 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100103153847 [0,1,0,0,0,0|1,0,2]=4 335 B13R0.1398 CC(=O)NCCC(=O)CCC=C(C)C 1458a_100000183196_100011217483 [0,1,0,0,0,0|2,0,1]=4 336 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100015343762 [0,1,0,0,0,0|1,0,2]=4 337 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100015343762 [0,1,0,0,0,0|1,0,2]=4 338 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100103153847 [0,1,0,0,0,0|1,0,2]=4 339 B13R0.1398 CC(=O)NN=CC(C)CCC=C(C)C 4a_100000189765_100000033009 [0,1,0,0,0,0|2,0,1]=4 340 B13R0.1398 CC(=O)OCCN(C)CCCN(C)C 269982a_100000225831_100009814007 [0,1,0,0,0,0|2,0,1]=4 341 B13R0.1398 CC(=O)OCOC(C)CCC=C(C)C 34a_100102619829_100009813279 [0,1,0,0,0,0|1,0,0]=2 342 B13R0.1398 CC(=O)OCOC(C)CCCC(C)C 34a_200011218570_100009813279 [0,1,0,0,0,0|1,0,2]=4 343 B13R0.1398 CC(=O)SCCC(=O)CCC=C(C)C 1458a_100000048949_100011217483 [0,1,0,0,0,0|1,1,1]=4 344 B13R0.1398 CN(C)CCCN(C)CCOC(=O)N 269982a_100000225831_200011214921 [0,1,0,0,0,0|2,0,1]=4 345 B13R1.149 CC(=CCCN1CCC=C(C1)C)C 2230a_100000725631_100011217483 [0,0,0,1,0,0|3,0,0]=4 346 B13R1.149 CC(=CCCN1CCC=C(C1)C)C 269982a_100000725631_100011217483 [0,0,0,1,0,0|3,0,0]=4 347 B13R1.149 CC(=CCCN1CCC=C(C1)C)C 34a_100000725631_100011217483 [0,0,0,1,0,0|3,0,0]=4 348 B13R1.149 CC(=CCCN1CCNC(=O)C1)C 2230a_100000184651_100011217483 [0,0,0,1,0,0|2,0,0]=3 349 B13R1.149 CC(=CCCN1CCOC(=O)C1)C 2230a_100000131268_100011217483 [0,0,0,1,0,0|1,0,0]=2 350 B13R1.149 CC(=CCCN1CCOC(C1)C)C 2230a_100000729577_100011217483 [0,0,0,1,0,0|2,0,1]=4 351 B13R1.149 CC(=CCCN1CCOC(C1)C)C 269982a_100000729577_100011217483 [0,0,0,1,0,0|2,0,1]=4 352 B13R1.149 CC(=CCCN1CCOC(C1)C)C 34a_100000729577_100011217483 [0,0,0,1,0,0|2,0,1]=4 353 B13R1.149 CC(=CCCN1CCOC(C1)O)C 2230a_100000688207_100011217483 [0,0,0,1,0,0|1,0,2]=4 354 B13R1.149 CC(=CCCN1CCOC(C1)O)C 269982a_100000688207_100011217483 [0,0,0,1,0,0|1,0,2]=4 355 B13R1.149 CC(=CCNC1CCNC(=O)C1)C 2230a_100016994916_100000761012 [0,0,0,1,0,0|2,0,0]=3 356 B13R1.149 CC(=CCNC1CCNC(=O)C1)C 34a_100016994916_100000761012 [0,0,0,1,0,0|2,0,0]=3 357 B13R1.149 CC(=CCNC1CCOC(C1)C)C 270004a_100000718196_100000755752 [0,0,0,1,0,0|2,0,1]=4 358 B13R1.149 CC(=CCOC1CCCC(=O)C1)C 34a_100012613340_100000761012 [0,0,0,1,0,0|2,0,0]=3 359 B13R1.149 CC(=CCOC1CCOC(C1)C)C 34a_100011986385_100000761012 [0,0,0,1,0,0|2,0,1]=4 360 B13R1.149 CC(=CCOC1CCOC(C1)C)C 7a_100011986385_100000761012 [0,0,0,1,0,0|2,0,1]=4 361 B13R1.149 CC(=CCO[C@@H]1CCNC(=O)C1)C 34a_100015189427_100000761012 [0,0,0,1,0,0|2,0,0]=3 362 B13R1.149 CC(=O)NCCN1CCOC(=O)C1 2230a_100000131268_100000189650 [0,0,0,1,0,0|3,0,0]=4 363 B13R1.149 CC(C)CCCN1CCOC(=O)C1 2230a_100000131268_100011214892 [0,0,0,1,0,0|1,0,2]=4 364 B13R1.149 CC(C)OCCN1CCOC(=O)C1 2230a_100000131268_100000211751 [0,0,0,1,0,0|2,0,1]=4 365 B13R1.149 CC(C)SCCN1CCOC(=O)C1 2230a_100000131268_100000730970 [0,0,0,1,0,0|2,0,1]=4 366 B13R1.149 O=C1CN(CCO1)CCC=C(F)F 2230a_100000131268_200009816681 [0,0,0,1,0,0|3,0,0]=4 367 B13R1.232 CCOC1CN(C1)CCC=C(C)C 269982a_100000732654_100011217483 [0,0,0,1,0,0|2,0,1]=4 368 B13R1.232 CCOC1CN(C1)CCC=C(C)C 34a_100000732654_100011217483 [0,0,0,1,0,0|2,0,1]=4 369 B13R1.342 CC(=CCCN(C)C1CCOC1)C 2230a_100016988252_100011217483 [0,0,0,1,0,0|2,0,1]=4 370 B13R1.342 CC(=CCCN(C)C1CCOC1)C 269982a_100016988252_100011217483 [0,0,0,1,0,0|2,0,1]=4 371 B13R1.342 CC(=CCCN(C)C1CCOC1)C 34a_100016988252_100011217483 [0,0,0,1,0,0|2,0,1]=4 372 B13R1.1988 CC(=CCCN1CCCOCC1)C 2230a_100000685342_100011217483 [0,0,0,1,0,0|2,0,1]=4 373 B13R1.1988 CC(=CCCN1CCCOCC1)C 269982a_100000685342_100011217483 [0,0,0,1,0,0|2,0,1]=4 374 B13R1.1988 CC(=CCCN1CCCOCC1)C 34a_100000685342_100011217483 [0,0,0,1,0,0|2,0,1]=4 375 B13R1.5134 CC(=CCNC1(CCOCC1)C)C 2230a_100000692449_100000761012 [0,0,0,1,0,0|2,0,1]=4 376 B13R1.5134 CC(=CCNC1(CCOCC1)C)C 34a_100000692449_100000761012 [0,0,0,1,0,0|2,0,1]=4 377 B13R1.5134 CC(=CCOC1(CCOCC1)C)C 34a_100011827762_100000761012 [0,0,0,1,0,0|2,0,1]=4 378 B13R1.5134 CC(=CCOC1(CCOCC1)C)C 7a_100011827762_100000761012 [0,0,0,1,0,0|2,0,1]=4 379 B11R0.46 C=COCCC(=O)CC=C(C)C 1458a_100011220947_100000039644 [0,0,0,0,1,0|2,0,1]=4 380 B11R0.46 C=COCCN(C)CCC(C)C 2230a_100000742789_100000039644 [0,0,0,0,1,0|2,0,1]=4 381 B11R0.46 C=COCCN(C)CCC(C)C 269982a_100000742789_100000039644 [0,0,0,0,1,0|2,0,1]=4 382 B11R0.46 C=COCCN(C)CCN(C)C 269982a_100000225618_100000039644 [0,0,0,0,1,0|3,0,0]=4 383 B11R0.46 CC(C)CCN(C)CCCC=O 2230a_100000742789_200011292268 [0,0,0,0,1,0|2,0,1]=4 384 B11R0.46 CC(C)CCN(C)CCCC=O 269982a_100000742789_200011292268 [0,0,0,0,1,0|2,0,1]=4 385 B11R0.46 CN(C)CCN(C)CCCC=O 269982a_100000225618_200011292268 [0,0,0,0,1,0|3,0,0]=4 386 B13R0.188 CCCCCC(C)NCCC=C(C)C 2230a_100000211957_100011217483 [0,0,0,0,0,1|2,0,1]=4 387 B13R0.188 CCCCCC(C)OCCC=C(C)C 34a_100011215632_100011217483 [0,0,0,0,0,1|2,0,1]=4 388 B13R0.188 CCCCCC(C)OCCC=C(C)C 7a_100011215632_100011217483 [0,0,0,0,0,1|2,0,1]=4 389 B13R0.188 CCCCCC(C)SCCC=C(C)C 62a_100011217483_200011218191 [0,0,0,0,0,1|2,0,1]=4 390 B13R0.188 CCCCCC(C)SCCC=C(C)C 62a_200011218191_100011217483 [0,0,0,0,0,1|2,0,1]=4 391 B13R0.188 COCCCC(C)OCCC=C(C)C 34a_200011539412_100011217483 [0,0,0,0,0,1|3,0,0]=4 392 B13R0.188 COCCCC(C)OCCC=C(C)C 7a_200011539412_100011217483 [0,0,0,0,0,1|3,0,0]=4 393 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [2,0,0,0,0,0|2,0,0]=4 394 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [2,0,0,0,0,0|2,0,0]=4 395 B10R0.71 C=COCCCNC/C=C/C 34a_100000210767_100102629194 [2,0,0,0,0,0|2,0,0]=4 396 B10R0.71 C=COCCCNCC=CC 2230a_100000210767_100000070051 [2,0,0,0,0,0|2,0,0]=4 397 B10R0.71 C=COCCCNCC=CC 34a_100000210767_100000070051 [2,0,0,0,0,0|2,0,0]=4 398 B10R0.71 C=COCCOCC/C=C/C 34a_100016278192_100000039644 [2,0,0,0,0,0|2,0,0]=4 399 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [2,0,0,0,0,0|2,0,0]=4 400 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [2,0,0,0,0,0|2,0,0]=4 401 B10R0.91 C=CCCC(C)OC/C=C/C 34a_100000765329_100102629194 [2,0,0,0,0,0|2,0,0]=4 402 B10R0.91 C=CCCC(C)OC/C=C/C 7a_100000765329_100102629194 [2,0,0,0,0,0|2,0,0]=4 403 B10R0.91 C=CCCC(C)OCC=CC 34a_100000765329_100000070051 [2,0,0,0,0,0|2,0,0]=4 404 B10R0.91 C=CCCC(C)OCC=CC 7a_100000765329_100000070051 [2,0,0,0,0,0|2,0,0]=4 405 B10R0.91 C=CCCN(C)CCCC=O 2230a_100020639649_200011292268 [2,0,0,0,0,0|2,0,0]=4 406 B10R0.91 C=CCCN(C)CCCC=O 269982a_100020639649_200011292268 [2,0,0,0,0,0|2,0,0]=4 407 B10R0.91 C=CCCN(C)CCOC=C 2230a_100020639649_100000039644 [2,0,0,0,0,0|2,0,0]=4 408 B10R0.91 C=CCCN(C)CCOC=C 269982a_100020639649_100000039644 [2,0,0,0,0,0|2,0,0]=4 409 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [2,0,0,0,0,0|1,0,1]=4 410 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [2,0,0,0,0,0|1,0,1]=4 411 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [2,0,0,0,0,0|1,0,1]=4 412 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [2,0,0,0,0,0|1,0,1]=4 413 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [2,0,0,0,0,0|1,0,1]=4 414 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [2,0,0,0,0,0|1,0,1]=4 415 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [2,0,0,0,0,0|1,0,1]=4 416 B10R0.3 CC(=CCCN(C)CCO)C 2230a_100000210263_100011217483 [2,0,0,0,0,0|1,0,0]=3 417 B10R0.3 CC(=CCCN(C)CCO)C 269982a_100000210263_100011217483 [2,0,0,0,0,0|1,0,0]=3 418 B10R0.3 CC(=CCNC(C)CCO)C 34a_100000718196_100009893172 [2,0,0,0,0,0|1,0,0]=3 419 B10R0.3 CC(=CCN[C@H](C)CCO)C 2230a_100000706166_100000761012 [2,0,0,0,0,0|1,0,0]=3 420 B10R0.3 CC(=CCN[C@H](C)CCO)C 34a_100000706166_100000761012 [2,0,0,0,0,0|1,0,0]=3 421 B10R0.3 CC(=CCOC(C)CCBr)C 34a_100012276601_100000761012 [2,0,0,0,0,0|2,0,0]=4 422 B10R0.3 CC(=CCOC(C)CCO)C 34a_100000753907_100009893172 [2,0,0,0,0,0|1,0,0]=3 423 B10R0.3 CC(=CCSC(C)CCO)C 62a_100000761012_100009893172 [2,0,0,0,0,0|1,0,0]=3 424 B10R0.3 CC(=CCSC(C)CCO)C 62a_100009893172_100000761012 [2,0,0,0,0,0|1,0,0]=3 425 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [2,0,0,0,0,0|1,0,1]=4 426 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [2,0,0,0,0,0|1,0,1]=4 427 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [2,0,0,0,0,0|1,0,1]=4 428 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [2,0,0,0,0,0|1,0,1]=4 429 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [2,0,0,0,0,0|1,0,1]=4 430 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [2,0,0,0,0,0|1,0,1]=4 431 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [2,0,0,0,0,0|1,0,1]=4 432 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [2,0,0,0,0,0|1,0,1]=4 433 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [2,0,0,0,0,0|1,0,1]=4 434 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [2,0,0,0,0,0|1,0,1]=4 435 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [2,0,0,0,0,0|1,0,1]=4 436 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [2,0,0,0,0,0|1,0,1]=4 437 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [2,0,0,0,0,0|1,0,1]=4 438 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [2,0,0,0,0,0|1,0,1]=4 439 B10R0.3 COCC(C)NCC=C(C)C 270004a_100000718196_100000749346 [2,0,0,0,0,0|1,0,1]=4 440 B10R0.3 COCC(C)NCC=C(C)C 34a_100000718196_100000765312 [2,0,0,0,0,0|1,0,1]=4 441 B10R0.3 COCC(C)OCC=C(C)C 34a_100000753907_100000765312 [2,0,0,0,0,0|1,0,1]=4 442 B10R0.3 COCC(C)SCC=C(C)C 62a_100000761012_100000765312 [2,0,0,0,0,0|1,0,1]=4 443 B10R0.3 COCC(C)SCC=C(C)C 62a_100000765312_100000761012 [2,0,0,0,0,0|1,0,1]=4 444 B10R0.3 COC[C@@H](C)NCC=C(C)C 2230a_100000764878_100000761012 [2,0,0,0,0,0|1,0,1]=4 445 B10R0.3 COC[C@@H](C)OCC=C(C)C 34a_100011934205_100000761012 [2,0,0,0,0,0|1,0,1]=4 446 B10R0.4 C=CCCCNCC=C(C)C 2230a_100000700776_100000761012 [2,0,0,0,0,0|2,0,0]=4 447 B10R0.4 C=CCCCNCC=C(C)C 34a_100000700776_100000761012 [2,0,0,0,0,0|2,0,0]=4 448 B10R0.4 C=CCCCNCC=C(C)C 34a_100000718196_100000757094 [2,0,0,0,0,0|2,0,0]=4 449 B10R0.4 C=CCCCOCC=C(C)C 34a_100000753907_100000757094 [2,0,0,0,0,0|2,0,0]=4 450 B10R0.4 C=CCCCOCC=C(C)C 34a_100000758997_100000761012 [2,0,0,0,0,0|2,0,0]=4 451 B10R0.4 C=CCCCOCC=C(C)C 7a_100000758997_100000761012 [2,0,0,0,0,0|2,0,0]=4 452 B10R0.4 C=CCCCSCC=C(C)C 62a_100000761012_100000757094 [2,0,0,0,0,0|2,0,0]=4 453 B10R0.4 C=CCCCSCC=C(C)C 62a_100011713584_100000761012 [2,0,0,0,0,0|2,0,0]=4 454 B10R0.4 C=CCCNCCC=C(C)C 2230a_100015191253_100011217483 [2,0,0,0,0,0|2,0,0]=4 455 B10R0.4 C=CCCOCCC=C(C)C 34a_100011205117_100011217483 [2,0,0,0,0,0|2,0,0]=4 456 B10R0.4 C=CCCSCCC=C(C)C 62a_100000754431_100011217483 [2,0,0,0,0,0|2,0,0]=4 457 B10R0.4 C=CCCSCCC=C(C)C 62a_100011217483_100000754431 [2,0,0,0,0,0|2,0,0]=4 458 B10R0.4 C=COCCNCC=C(C)C 34a_100000718196_100000039644 [2,0,0,0,0,0|2,0,0]=4 459 B10R0.4 C=COCCOCC=C(C)C 34a_100000033082_100000761012 [2,0,0,0,0,0|2,0,0]=4 460 B10R0.4 C=COCCOCC=C(C)C 34a_100000753907_100000039644 [2,0,0,0,0,0|2,0,0]=4 461 B10R0.4 C=COCCSCC=C(C)C 62a_100000039644_100000761012 [2,0,0,0,0,0|2,0,0]=4 462 B10R0.4 C=COCCSCC=C(C)C 62a_100000761012_100000039644 [2,0,0,0,0,0|2,0,0]=4 463 B10R0.4 CC(=CCCOCCON)C 34a_100000700252_100011217483 [2,0,0,0,0,0|2,0,0]=4 464 B10R0.4 CC(=CCSCCCC=O)C 62a_100000761012_200011292268 [2,0,0,0,0,0|1,0,0]=3 465 B10R0.4 CC(=CCSCCCC=O)C 62a_200011292268_100000761012 [2,0,0,0,0,0|1,0,0]=3 466 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [2,0,0,0,0,0|1,0,1]=4 467 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [2,0,0,0,0,0|1,0,1]=4 468 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [2,0,0,0,0,0|1,0,1]=4 469 B10R0.4 COCCCNCC=C(C)C 34a_100000718196_100000740836 [2,0,0,0,0,0|1,0,1]=4 470 B10R0.4 COCCCNCC=C(C)C 34a_100150723488_100000761012 [2,0,0,0,0,0|1,0,1]=4 471 B10R0.4 COCCCOCC=C(C)C 34a_100000740835_100000761012 [2,0,0,0,0,0|1,0,1]=4 472 B10R0.4 COCCCOCC=C(C)C 34a_100000753907_100000740836 [2,0,0,0,0,0|1,0,1]=4 473 B10R0.4 COCCCSCC=C(C)C 62a_100000709357_100000761012 [2,0,0,0,0,0|1,0,1]=4 474 B10R0.4 COCCCSCC=C(C)C 62a_100000761012_100000709357 [2,0,0,0,0,0|1,0,1]=4 475 B10R0.4 COCCNCCC=C(C)C 2230a_100000209980_100011217483 [2,0,0,0,0,0|1,0,1]=4 476 B10R0.4 COCCOCCC=C(C)C 34a_100000210237_100011217483 [2,0,0,0,0,0|1,0,1]=4 477 B10R0.4 COCCSCCC=C(C)C 62a_100000233755_100011217483 [2,0,0,0,0,0|1,0,1]=4 478 B10R0.4 COCCSCCC=C(C)C 62a_100011217483_100000233755 [2,0,0,0,0,0|1,0,1]=4 479 B12R0.44 C=C(C)CCC(C)NCC=C(C)C 270004a_100000718196_100011215600 [1,1,0,0,0,0|2,0,0]=4 480 B12R0.44 C=C(C)COC(C)CCC=C(C)C 34a_100102619829_100000748629 [1,1,0,0,0,0|2,0,0]=4 481 B12R0.44 C=C(C)COC(C)CCC=C(C)C 7a_100102619829_100000748629 [1,1,0,0,0,0|2,0,0]=4 482 B12R0.44 C=C(F)COC(C)CCC=C(C)C 34a_100102619829_100009893438 [1,1,0,0,0,0|2,0,0]=4 483 B12R0.44 C=C(F)COC(C)CCC=C(C)C 7a_100102619829_100000042424 [1,1,0,0,0,0|2,0,0]=4 484 B12R0.44 CC(=CCCC(=O)CCC(=O)N)C 1458a_100011215257_100011217483 [1,1,0,0,0,0|1,0,1]=4 485 B12R0.44 CC(=CCCC(C)CCN(C)C)C 2230a_100102631434_100009814015 [1,1,0,0,0,0|1,0,1]=4 486 B12R0.44 CC(=CCCC(C)CCN(C)C)C 269982a_100102631434_100009814015 [1,1,0,0,0,0|1,0,1]=4 487 B12R0.44 CC(=CCCC(C)CCN(C)C)C 270004a_100102631434_100000212096 [1,1,0,0,0,0|1,0,1]=4 488 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 34a_100102619829_100000187820 [1,1,0,0,0,0|1,0,0]=3 489 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 7a_100102619829_100000187820 [1,1,0,0,0,0|1,0,0]=3 490 B12R0.44 CC(=CCCC(C)OCC(=O)[O-])C 34a_100102619829_100020667443 [1,1,0,0,0,0|1,0,0]=3 491 B12R0.44 CC(=CCCC(C)OC[N+](=O)[O-])C 34a_100102619829_100000761209 [1,1,0,0,0,0|2,0,0]=4 492 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 2230a_100000730477_100011217483 [1,1,0,0,0,0|1,0,0]=3 493 B12R0.44 CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000070787_100016991246 [1,1,0,0,0,0|0,0,2]=4 494 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [1,1,0,0,0,0|0,0,0]=2 495 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [1,1,0,0,0,0|0,0,2]=4 496 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [1,1,0,0,0,0|1,0,1]=4 497 B12R0.44 CC(=O)OCC(C)NCC=C(C)C 270004a_100000718196_100000000629 [1,1,0,0,0,0|1,0,0]=3 498 B12R0.54 C=CCN(C)C(C)CCC=C(C)C 270004a_100000225617_100000765506 [1,1,0,0,0,0|2,0,0]=4 499 B12R0.254 CCN(CCC=C(C)C)CCOC 2230a_100000731262_100011217483 [1,1,0,0,0,0|1,0,1]=4 500 B12R0.254 CCN(CCC=C(C)C)CCOC 269982a_100000731262_100011217483 [1,1,0,0,0,0|1,0,1]=4 501 B12R0.234 C=CCCCCCNCC=C(C)C 34a_100000718196_100000700193 [1,1,0,0,0,0|2,0,0]=4 502 B12R0.234 C=CCCCCCOCC=C(C)C 34a_100000753907_100000700193 [1,1,0,0,0,0|2,0,0]=4 503 B12R0.234 C=CCCCCCOCC=C(C)C 34a_100011216702_100000761012 [1,1,0,0,0,0|2,0,0]=4 504 B12R0.234 C=CCCCCCOCC=C(C)C 7a_100011216702_100000761012 [1,1,0,0,0,0|2,0,0]=4 505 B12R0.234 C=CCCCCCSCC=C(C)C 62a_100000700193_100000761012 [1,1,0,0,0,0|2,0,0]=4 506 B12R0.234 C=CCCCCCSCC=C(C)C 62a_100000761012_100000700193 [1,1,0,0,0,0|2,0,0]=4 507 B12R0.234 C=CCCCCNCCC=C(C)C 2230a_100000703577_100011217483 [1,1,0,0,0,0|2,0,0]=4 508 B12R0.234 C=CCCCCNCCC=C(C)C 34a_100000703577_100011217483 [1,1,0,0,0,0|2,0,0]=4 509 B12R0.234 C=CCCCCOCCC=C(C)C 34a_100000766645_100011217483 [1,1,0,0,0,0|2,0,0]=4 510 B12R0.234 C=CCCCCOCCC=C(C)C 7a_100000766645_100011217483 [1,1,0,0,0,0|2,0,0]=4 511 B12R0.234 C=CCCCCSCCC=C(C)C 62a_100011215482_100011217483 [1,1,0,0,0,0|2,0,0]=4 512 B12R0.234 C=CCCCCSCCC=C(C)C 62a_100011217483_100011215482 [1,1,0,0,0,0|2,0,0]=4 513 B12R0.234 C=CCOCCOCCC=C(C)C 34a_100000037705_100011217483 [1,1,0,0,0,0|2,0,0]=4 514 B12R0.234 C=CCOCCOCCC=C(C)C 7a_100000037705_100011217483 [1,1,0,0,0,0|2,0,0]=4 515 B12R0.234 C=COCCCCOCC=C(C)C 34a_100000031558_100000761012 [1,1,0,0,0,0|1,0,0]=3 516 B12R0.234 C=COCCCCOCC=C(C)C 7a_100000031558_100000761012 [1,1,0,0,0,0|1,0,0]=3 517 B12R0.234 C=COCCCNCCC=C(C)C 2230a_100000210767_100011217483 [1,1,0,0,0,0|1,0,0]=3 518 B12R0.234 C=COCCCNCCC=C(C)C 34a_100000210767_100011217483 [1,1,0,0,0,0|1,0,0]=3 519 B12R0.234 CC(=CCCSCCCCC=O)C 62a_100000139335_100011217483 [1,1,0,0,0,0|1,0,0]=3 520 B12R0.234 CC(=CCCSCCCCC=O)C 62a_100011217483_100000139335 [1,1,0,0,0,0|1,0,0]=3 521 B12R0.234 CC(=CCSCCCCCC=O)C 62a_100000139337_100000761012 [1,1,0,0,0,0|1,0,0]=3 522 B12R0.234 CC(=CCSCCCCCC=O)C 62a_100000761012_100000139337 [1,1,0,0,0,0|1,0,0]=3 523 B12R0.234 CC(C)NCCCCCOCC=O 34a_100011629493_200009817547 [1,1,0,0,0,0|1,0,1]=4 524 B12R0.234 CC=CCCCOCCC=C(C)C 34a_100020645299_100011217483 [1,1,0,0,0,0|2,0,0]=4 525 B12R0.234 CCOCCCNCCC=C(C)C 2230a_100000210961_100011217483 [1,1,0,0,0,0|1,0,1]=4 526 B12R0.234 CCOCCCNCCC=C(C)C 34a_100000210961_100011217483 [1,1,0,0,0,0|1,0,1]=4 527 B12R0.234 CCOCCCOCCC=C(C)C 34a_100000757476_100011217483 [1,1,0,0,0,0|1,0,1]=4 528 B12R0.234 CCOCCCOCCC=C(C)C 7a_100000757476_100011217483 [1,1,0,0,0,0|1,0,1]=4 529 B12R0.234 CCOCCCSCCC=C(C)C 62a_100011217483_100012232248 [1,1,0,0,0,0|1,0,1]=4 530 B12R0.234 CCOCCCSCCC=C(C)C 62a_100012232248_100011217483 [1,1,0,0,0,0|1,0,1]=4 531 B12R0.268 CC(=CCCNCCCC(=O)N)C 34a_100000739312_100011217483 [1,1,0,0,0,0|2,0,0]=4 532 B12R0.268 CC(=CCCNCCNC(=O)N)C 34a_100020590234_100011217483 [1,1,0,0,0,0|2,0,0]=4 533 B12R0.268 CC(=CCCOCCNC(=O)N)C 34a_100000181757_100011217483 [1,1,0,0,0,0|2,0,0]=4 534 B12R0.268 CC(=CCCOCCOC(=O)N)C 7a_100000766696_100011217483 [1,1,0,0,0,0|1,0,0]=3 535 B12R0.268 CC(=CCCSCCCC(=O)N)C 62a_100011217483_100102525003 [1,1,0,0,0,0|2,0,0]=4 536 B12R0.268 CC(=CCCSCCCC(=O)N)C 62a_100102525003_100011217483 [1,1,0,0,0,0|2,0,0]=4 537 B12R0.268 CC(=CCCSCCNC(=O)N)C 62a_100011217483_200000034859 [1,1,0,0,0,0|2,0,0]=4 538 B12R0.268 CC(=CCCSCCNC(=O)N)C 62a_200000034859_100011217483 [1,1,0,0,0,0|2,0,0]=4 539 B12R0.268 CC(=CCCSCCOC(=O)N)C 62a_100011217483_200011214921 [1,1,0,0,0,0|1,0,0]=3 540 B12R0.268 CC(=CCCSCCOC(=O)N)C 62a_200011214921_100011217483 [1,1,0,0,0,0|1,0,0]=3 541 B12R0.268 CC(=CCNCCCCC(=O)N)C 34a_100000696515_100000761012 [1,1,0,0,0,0|2,0,0]=4 542 B12R0.268 CC(=CCOCCCCC(=O)N)C 34a_100012022536_100000761012 [1,1,0,0,0,0|2,0,0]=4 543 B12R0.268 CC(=CCOCCCCC(=O)N)C 7a_100012022536_100000761012 [1,1,0,0,0,0|2,0,0]=4 544 B12R0.268 CC(=O)CCCCNCC=C(C)C 34a_100000718196_100009817362 [1,1,0,0,0,0|2,0,0]=4 545 B12R0.268 CC(=O)CCCCOCC=C(C)C 34a_100000753907_100009817362 [1,1,0,0,0,0|2,0,0]=4 546 B12R0.268 CC(=O)CCCCSCC=C(C)C 62a_100000735457_100000761012 [1,1,0,0,0,0|2,0,0]=4 547 B12R0.268 CC(=O)CCCCSCC=C(C)C 62a_100000761012_100000735457 [1,1,0,0,0,0|2,0,0]=4 548 B12R0.268 CC(=O)CCCOCCC=C(C)C 34a_100000759063_100011217483 [1,1,0,0,0,0|2,0,0]=4 549 B12R0.268 CC(=O)CCCOCCC=C(C)C 7a_100000759063_100011217483 [1,1,0,0,0,0|2,0,0]=4 550 B12R0.268 CC(=O)CCCSCCC=C(C)C 62a_100011215641_100011217483 [1,1,0,0,0,0|2,0,0]=4 551 B12R0.268 CC(=O)CCCSCCC=C(C)C 62a_100011217483_100011215641 [1,1,0,0,0,0|2,0,0]=4 552 B12R0.268 CC(=O)NCCCNCC=C(C)C 34a_100000736810_100000761012 [1,1,0,0,0,0|2,0,0]=4 553 B12R0.268 CC(=O)NCCCOCC=C(C)C 34a_100000752032_100000761012 [1,1,0,0,0,0|2,0,0]=4 554 B12R0.268 CC(=O)NCCNCCC=C(C)C 2230a_100000209853_100011217483 [1,1,0,0,0,0|2,0,0]=4 555 B12R0.268 CC(=O)NCCOCCC=C(C)C 34a_100000158858_100011217483 [1,1,0,0,0,0|2,0,0]=4 556 B12R0.268 CC(=O)NCCSCCC=C(C)C 62a_100000189650_100011217483 [1,1,0,0,0,0|2,0,0]=4 557 B12R0.268 CC(=O)NCCSCCC=C(C)C 62a_100011217483_100000189650 [1,1,0,0,0,0|2,0,0]=4 558 B12R0.268 CC(=O)OCCCCCNC(C)C 2230a_100138425928_100009813381 [1,1,0,0,0,0|1,0,1]=4 559 B12R0.268 CC(=O)OCCCCCNC(C)C 34a_100138425928_100000033007 [1,1,0,0,0,0|1,0,1]=4 560 B12R0.268 CC(=O)OCCCCCOC(C)C 34a_100000212225_100000033007 [1,1,0,0,0,0|1,0,1]=4 561 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000033007_100000210206 [1,1,0,0,0,0|1,0,1]=4 562 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000210206_100000033007 [1,1,0,0,0,0|1,0,1]=4 563 B12R0.268 CC(=O)OCCCNCC=C(C)C 34a_100000718196_100000042594 [1,1,0,0,0,0|1,0,0]=3 564 B12R0.268 CC(=O)OCCCOCC=C(C)C 34a_100000753907_100000042594 [1,1,0,0,0,0|1,0,0]=3 565 B12R0.268 CC(=O)OCCCSCC=C(C)C 62a_100000042594_100000761012 [1,1,0,0,0,0|1,0,0]=3 566 B12R0.268 CC(=O)OCCCSCC=C(C)C 62a_100000761012_100000042594 [1,1,0,0,0,0|1,0,0]=3 567 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100009814007_100011217483 [1,1,0,0,0,0|1,0,0]=3 568 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100011217483_100009814007 [1,1,0,0,0,0|1,0,0]=3 569 B12R0.268 CC(=O)SCCCNCC=C(C)C 34a_100000718196_100000038929 [1,1,0,0,0,0|1,1,0]=4 570 B12R0.268 CC(=O)SCCCOCC=C(C)C 34a_100000753907_100000038929 [1,1,0,0,0,0|1,1,0]=4 571 B12R0.268 CC(=O)SCCCSCC=C(C)C 62a_100000038929_100000761012 [1,1,0,0,0,0|1,1,0]=4 572 B12R0.268 CC(=O)SCCCSCC=C(C)C 62a_100000761012_100000038929 [1,1,0,0,0,0|1,1,0]=4 573 B12R0.268 CC(=S)OCCCNCC=C(C)C 34a_100000718196_200135323944 [1,1,0,0,0,0|1,1,0]=4 574 B12R0.268 CC(=S)OCCCOCC=C(C)C 34a_100000753907_200135323944 [1,1,0,0,0,0|1,1,0]=4 575 B12R0.268 CC(=S)OCCCSCC=C(C)C 62a_100000761012_200135323944 [1,1,0,0,0,0|1,1,0]=4 576 B12R0.268 CC(=S)OCCCSCC=C(C)C 62a_200135323944_100000761012 [1,1,0,0,0,0|1,1,0]=4 577 B14R0.67 CC(=CCCC(C)CNCC=C(C)C)C 270004a_100000718196_100000033009 [0,1,0,0,0,1|2,0,0]=4 578 B14R0.67 CC(=CCCOC(C)CCC=C(C)C)C 34a_100102619829_100011217483 [0,1,0,0,0,1|2,0,0]=4 579 B14R0.67 CC(=CCCOC(C)CCC=C(C)C)C 7a_100102619829_100011217483 [0,1,0,0,0,1|2,0,0]=4 580 B14R0.67 CC(=CCCOC(C)CCCC(=O)[O-])C 7a_100000761597_100011217483 [0,1,0,0,0,1|1,0,0]=3 581 B14R0.2 C#CCCOCCC(C)CCC=C(C)C 34a_100000017536_100000688953 [0,2,0,0,0,0|1,0,1]=4 582 B14R0.2 C#CCCOCCC(C)CCC=C(C)C 34a_100011215631_100009814015 [0,2,0,0,0,0|1,0,1]=4 583 B14R0.2 C#CCCOCCC(C)CCC=C(C)C 7a_100000017536_100000688953 [0,2,0,0,0,0|1,0,1]=4 584 B14R0.2 C#CCOCCOC(C)CCC=C(C)C 34a_100102619829_100010402529 [0,2,0,0,0,0|1,0,1]=4 585 B14R0.2 C#CCOCCOC(C)CCC=C(C)C 7a_100102619829_100010402529 [0,2,0,0,0,0|1,0,1]=4 586 B14R0.2 C/C=C/COCCC(C)CCC=C(C)C 34a_100000017536_100102629194 [0,2,0,0,0,0|1,0,0]=3 587 B14R0.2 C/C=C/COCCC(C)CCC=C(C)C 34a_100016270725_100009814015 [0,2,0,0,0,0|1,0,0]=3 588 B14R0.2 C/C=C/COCCC(C)CCC=C(C)C 7a_100000017536_100102629194 [0,2,0,0,0,0|1,0,0]=3 589 B14R0.2 C/C=C/CSCCC(C)CCC=C(C)C 62a_100009814015_100102629194 [0,2,0,0,0,0|1,1,0]=4 590 B14R0.2 C/C=C/CSCCC(C)CCC=C(C)C 62a_100102629194_100009814015 [0,2,0,0,0,0|1,1,0]=4 591 B14R0.2 C=CCCCCNC(C)CCC=C(C)C 270004a_100000703577_100000765506 [0,2,0,0,0,0|2,0,0]=4 592 B14R0.2 C=CCCCCOC(C)CCC=C(C)C 34a_100102619829_100011215482 [0,2,0,0,0,0|2,0,0]=4 593 B14R0.2 C=CCCCCOC(C)CCC=C(C)C 7a_100102619829_100011215482 [0,2,0,0,0,0|2,0,0]=4 594 B14R0.2 C=CCCCNCC(C)CCC=C(C)C 270004a_100000700776_100000033009 [0,2,0,0,0,0|2,0,0]=4 595 B14R0.2 C=CCCNCCC(C)CCC=C(C)C 2230a_100015191253_100009814015 [0,2,0,0,0,0|2,0,0]=4 596 B14R0.2 C=CCCNCCC(C)CCC=C(C)C 269862a_100015191253_100000212096 [0,2,0,0,0,0|2,0,0]=4 597 B14R0.2 C=CCCNCCC(C)CCC=C(C)C 270004a_100015191253_100000212096 [0,2,0,0,0,0|2,0,0]=4 598 B14R0.2 C=CCCOCCC(C)CCC=C(C)C 34a_100000017536_100000754431 [0,2,0,0,0,0|1,0,0]=3 599 B14R0.2 C=CCCOCCC(C)CCC=C(C)C 34a_100011205117_100009814015 [0,2,0,0,0,0|1,0,0]=3 600 B14R0.2 C=CCCOCCC(C)CCC=C(C)C 7a_100000017536_100000754431 [0,2,0,0,0,0|1,0,0]=3 601 B14R0.2 C=CCCSCCC(C)CCC=C(C)C 62a_100000754431_100009814015 [0,2,0,0,0,0|1,1,0]=4 602 B14R0.2 C=CCCSCCC(C)CCC=C(C)C 62a_100009814015_100000754431 [0,2,0,0,0,0|1,1,0]=4 603 B14R0.2 C=COCCCNC(C)CCC=C(C)C 270004a_100000210767_100000765506 [0,2,0,0,0,0|1,0,0]=3 604 B14R0.2 CC#CCOCCC(C)CCC=C(C)C 34a_100000017536_100000748600 [0,2,0,0,0,0|1,0,1]=4 605 B14R0.2 CC#CCOCCC(C)CCC=C(C)C 34a_100000761923_100009814015 [0,2,0,0,0,0|1,0,1]=4 606 B14R0.2 CC#CCOCCC(C)CCC=C(C)C 7a_100000017536_100000748600 [0,2,0,0,0,0|1,0,1]=4 607 B14R0.2 CC(=CCCC(C)CCOCCC#N)C 7a_100000017536_100000184422 [0,2,0,0,0,0|1,0,1]=4 608 B14R0.2 CC(=CCCC(C)CCOCCCBr)C 34a_100011217188_100009814015 [0,2,0,0,0,0|1,0,1]=4 609 B14R0.2 CC(=CCCC(C)CCOCCCCl)C 34a_100000230001_100009814015 [0,2,0,0,0,0|1,0,1]=4 610 B14R0.2 CC(=CCCC(C)CCOCCCF)C 34a_100000017536_100011934791 [0,2,0,0,0,0|1,0,1]=4 611 B14R0.2 CC(=CCCC(C)CCOCCCF)C 34a_100000759539_100009814015 [0,2,0,0,0,0|1,0,1]=4 612 B14R0.2 CC(=CCCC(C)CCOCCCF)C 7a_100000017536_100011934791 [0,2,0,0,0,0|1,0,1]=4 613 B14R0.2 CC(=CCCC(C)CCOCCCN)C 34a_100000182051_100009814015 [0,2,0,0,0,0|1,0,1]=4 614 B14R0.2 CC(=CCCC(C)CCOCCCO)C 34a_100000017536_100000230001 [0,2,0,0,0,0|0,0,2]=4 615 B14R0.2 CC(=CCCC(C)CCOCCCO)C 7a_100000017536_100011215043 [0,2,0,0,0,0|0,0,2]=4 616 B14R0.2 CC(=CCCC(C)CCOCCON)C 34a_100000700252_100009814015 [0,2,0,0,0,0|0,0,2]=4 617 B14R0.2 CC(=CCCC(C)NCCOCCO)C 270004a_100000211614_100000765506 [0,2,0,0,0,0|0,0,2]=4 618 B14R0.2 CC(=CCCC(C)OCCCCC=O)C 7a_100102619829_100000139335 [0,2,0,0,0,0|1,0,0]=3 619 B14R0.2 CC(=CCCC(C)OCCOCC#N)C 7a_100102619829_200000047693 [0,2,0,0,0,0|1,0,1]=4 620 B14R0.2 CC(=CCCC(C)OCCOCCO)C 34a_100102619829_100000692535 [0,2,0,0,0,0|0,0,2]=4 621 B14R0.2 CC(=CCCC(C)OCCOCCO)C 7a_100102619829_100011215305 [0,2,0,0,0,0|0,0,2]=4 622 B14R0.2 CC/C=C\CCOC(C)CCC=C(C)C 34a_100102619829_100015370543 [0,2,0,0,0,0|2,0,0]=4 623 B14R0.2 CC/C=C\CCOC(C)CCC=C(C)C 7a_100102619829_100015370543 [0,2,0,0,0,0|2,0,0]=4 624 B14R0.2 CC=CCOCCC(C)CCC=C(C)C 34a_100000017536_100000070051 [0,2,0,0,0,0|1,0,0]=3 625 B14R0.2 CC=CCOCCC(C)CCC=C(C)C 7a_100000017536_100000070051 [0,2,0,0,0,0|1,0,0]=3 626 B14R0.2 CC=CCSCCC(C)CCC=C(C)C 62a_100000070051_100009814015 [0,2,0,0,0,0|1,1,0]=4 627 B14R0.2 CC=CCSCCC(C)CCC=C(C)C 62a_100009814015_100000070051 [0,2,0,0,0,0|1,1,0]=4 628 B14R0.2 CCCCOCCC(C)CCC=C(C)C 34a_100000017536_100000210210 [0,2,0,0,0,0|1,0,1]=4 629 B14R0.2 CCCCOCCC(C)CCC=C(C)C 34a_100000210227_100009814015 [0,2,0,0,0,0|1,0,1]=4 630 B14R0.2 CCCCOCCC(C)CCC=C(C)C 7a_100000017536_100000210211 [0,2,0,0,0,0|1,0,1]=4 631 B14R0.2 CCCCOCCC(C)CCC=C(C)C 7a_100000210227_100009814015 [0,2,0,0,0,0|1,0,1]=4 632 B14R0.2 CCCOCCNC(C)CCC=C(C)C 270004a_100161115042_100000765506 [0,2,0,0,0,0|1,0,1]=4 633 B14R0.2 CCCOCCOC(C)CCC=C(C)C 34a_100102619829_100011215938 [0,2,0,0,0,0|1,0,1]=4 634 B14R0.2 CCCOCCOC(C)CCC=C(C)C 7a_100102619829_100011215938 [0,2,0,0,0,0|1,0,1]=4 635 B14R0.2 CCOCCCNC(C)CCC=C(C)C 270004a_100000210961_100000765506 [0,2,0,0,0,0|1,0,1]=4 636 B14R0.2 CCOCCCOC(C)CCC=C(C)C 34a_100102619829_100012232248 [0,2,0,0,0,0|1,0,1]=4 637 B14R0.2 CCOCCCOC(C)CCC=C(C)C 7a_100102619829_100012232248 [0,2,0,0,0,0|1,0,1]=4 638 B14R0.2 CCOCCNCC(C)CCC=C(C)C 270004a_102516460346_100000033009 [0,2,0,0,0,0|1,0,1]=4 639 B14R0.2 CCOCSCCC(C)CCC=C(C)C 62a_100000739092_100009814015 [0,2,0,0,0,0|1,0,1]=4 640 B14R0.2 CCOCSCCC(C)CCC=C(C)C 62a_100009814015_100000739092 [0,2,0,0,0,0|1,0,1]=4 641 B14R0.2 COCCOCCC(C)CCC=C(C)C 34a_100000017536_100011201679 [0,2,0,0,0,0|0,0,2]=4 642 B14R0.2 COCCOCCC(C)CCC=C(C)C 34a_100000210237_100009814015 [0,2,0,0,0,0|0,0,2]=4 643 B14R0.2 COCCOCCC(C)CCC=C(C)C 7a_100000017536_100000233755 [0,2,0,0,0,0|0,0,2]=4 644 B14R0.2 CSCCOCCC(C)CCC=C(C)C 34a_100000017536_100000212216 [0,2,0,0,0,0|0,1,1]=4 645 B14R0.2 CSCCOCCC(C)CCC=C(C)C 34a_100000230434_100009814015 [0,2,0,0,0,0|0,1,1]=4 646 B14R0.2 CSCCOCCC(C)CCC=C(C)C 7a_100000017536_100000212216 [0,2,0,0,0,0|0,1,1]=4 647 B14R0.2 CSCCOCCC(C)CCC=C(C)C 7a_100000230434_100009814015 [0,2,0,0,0,0|0,1,1]=4 648 B14R0.74 C/C=C/CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100102629194 [0,2,0,0,0,0|2,0,0]=4 649 B14R0.74 C=CCCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000754431 [0,2,0,0,0,0|2,0,0]=4 650 B14R0.74 C=CCCN(C)CC(C)CCC=C(C)C 270004a_100020639649_100000033009 [0,2,0,0,0,0|2,0,0]=4 651 B14R0.74 CC=CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000070051 [0,2,0,0,0,0|2,0,0]=4 652 B14R0.304 C#CC(C)OCCC(C)CCC=C(C)C 34a_100000017536_200000035995 [0,2,0,0,0,0|1,0,1]=4 653 B14R0.304 C#C[C@@H](C)OCCC(C)CCC=C(C)C 34a_100009815206_100009814015 [0,2,0,0,0,0|1,0,1]=4 654 B14R0.304 C#C[C@@H](C)OCCC(C)CCC=C(C)C 7a_100009815206_100009814015 [0,2,0,0,0,0|1,0,1]=4 655 B14R0.304 C=CC(=O)OCCC(=O)CCC=C(C)C 1458a_100000065099_100011217483 [0,2,0,0,0,0|1,0,1]=4 656 B14R0.304 C=CC(C)OCCC(C)CCC=C(C)C 34a_100000695699_100009814015 [0,2,0,0,0,0|1,0,0]=3 657 B14R0.304 C=CC(C)SCCC(C)CCC=C(C)C 62a_100011215867_100009814015 [0,2,0,0,0,0|1,1,0]=4 658 B14R0.304 CC(=CCCC(C)CCOC(C)C#N)C 34a_100011218135_100009814015 [0,2,0,0,0,0|1,0,1]=4 659 B14R0.304 CC(=CCCC(C)CCOC(C)C#N)C 7a_100000017536_100000703298 [0,2,0,0,0,0|1,0,1]=4 660 B14R0.304 CC(=CCCC(C)CCOC(C)CF)C 34a_100016041109_100009814015 [0,2,0,0,0,0|1,0,1]=4 661 B14R0.304 CC(=CCCC(C)CCOC(C)CF)C 7a_100016041109_100009814015 [0,2,0,0,0,0|1,0,1]=4 662 B14R0.304 CC(=CCCC(C)CCOC(C)CN)C 34a_100000210904_100009814015 [0,2,0,0,0,0|1,0,1]=4 663 B14R0.304 CC(=CCCC(C)CCOC(C)CO)C 34a_100000017536_100012180447 [0,2,0,0,0,0|0,0,2]=4 664 B14R0.304 CC(=CCCC(C)CCOC(C)CO)C 7a_100000017536_100012180447 [0,2,0,0,0,0|0,0,2]=4 665 B14R0.304 CCC(C)OCCC(C)CCC=C(C)C 34a_100000017536_100011215416 [0,2,0,0,0,0|1,0,1]=4 666 B14R0.304 CCC(C)OCCC(C)CCC=C(C)C 7a_100000017536_100000758301 [0,2,0,0,0,0|1,0,1]=4 667 B14R0.304 CCC(C)OCCC(C)CCC=C(C)C 7a_100000210228_100009814015 [0,2,0,0,0,0|1,0,1]=4 668 B14R0.304 CNC(=O)CCNC(C)CCC=C(C)C 270004a_100000738227_100000765506 [0,2,0,0,0,0|2,0,0]=4 669 B14R0.304 CNC(=O)CCOC(C)CCC=C(C)C 34a_100102619829_100012179268 [0,2,0,0,0,0|2,0,0]=4 670 B14R0.304 CNC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000737683 [0,2,0,0,0,0|2,0,0]=4 671 B14R0.304 CNC(=O)CNCC(C)CCC=C(C)C 270004a_100000693194_100000033009 [0,2,0,0,0,0|2,0,0]=4 672 B14R0.304 COC(=O)CCCN(C)CCC=C(C)C 269982a_100000739225_100011217483 [0,2,0,0,0,0|2,0,0]=4 673 B14R0.304 COC(=O)CCOC(C)CCC=C(C)C 34a_100102619829_100000742370 [0,2,0,0,0,0|2,0,0]=4 674 B14R0.304 COC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000204255 [0,2,0,0,0,0|2,0,0]=4 675 B14R0.431 C=CCC(=O)CCC(C)CCC=C(C)C 1458a_100000210193_100009814015 [0,2,0,0,0,0|2,0,0]=4 676 B14R0.431 C=CCN(C)CCC(C)CCC=C(C)C 2230a_100000225617_100009814015 [0,2,0,0,0,0|2,0,0]=4 677 B14R0.431 C=CCN(C)CCC(C)CCC=C(C)C 269982a_100000225617_100009814015 [0,2,0,0,0,0|2,0,0]=4 678 B14R0.431 C=CCN(C)CCC(C)CCC=C(C)C 270004a_100000225617_100000212096 [0,2,0,0,0,0|2,0,0]=4 679 B14R0.431 C=COC(=O)COC(C)CCC=C(C)C 34a_100102619829_100000036128 [0,2,0,0,0,0|1,0,1]=4 680 B14R0.431 CC(=CCCC(C)CCC(=O)C=CBr)C 1458a_100016273825_100009814015 [0,2,0,0,0,0|2,0,0]=4 681 B14R0.431 CC(=CCCC(C)CCC(=O)C=CCl)C 1458a_200016279998_100009814015 [0,2,0,0,0,0|2,0,0]=4 682 B14R0.431 CC(=CCCC(C)CCC(=O)C=CI)C 1458a_100016256311_100009814015 [0,2,0,0,0,0|2,0,0]=4 683 B14R0.431 CC=CC(=O)CCC(C)CCC=C(C)C 1458a_100000210699_100009814015 [0,2,0,0,0,0|2,0,0]=4 684 B14R0.1421 CC(=CCCC(C)N(C)CCC(=O)N)C 270004a_100000730477_100000765506 [0,2,0,0,0,0|2,0,0]=4 685 B14R0.2691 CC(=CCCC(C)CCOC(C)(C)C)C 34a_100000017536_100000210625 [0,2,0,0,0,0|1,0,1]=4 686 B14R0.2691 CC(=CCCC(C)CCOC(C)(C)C)C 34a_100015890283_100009814015 [0,2,0,0,0,0|1,0,1]=4 687 B14R0.2691 CC(=CCCC(C)CCOC(C)(C)C)C 7a_100015890283_100009814015 [0,2,0,0,0,0|1,0,1]=4 688 B14R0.2691 CC(=CCCC(C)CCOC(F)(F)F)C 34a_100000017536_200103152311 [0,2,0,0,0,0|1,0,1]=4 689 B14R0.2691 CC(=CCCC(C)CCOC(F)(F)F)C 7a_100000017536_200000243211 [0,2,0,0,0,0|1,0,1]=4 690 B14R0.426 CC(=CCCC(C)CC(=O)CC(=O)N)C 1458a_100000043202_100000187820 [0,2,0,0,0,0|1,0,1]=4 691 B14R0.426 CC(=CCCC(C)CC(=O)CC(=O)[O-])C 1458a_100000043202_100020667443 [0,2,0,0,0,0|1,0,1]=4 692 B14R0.426 CC(=CCCC(C)CN(C)CC(=O)N)C 270004a_100000739694_100000033009 [0,2,0,0,0,0|2,0,0]=4 693 B14R0.222 C=C(C)C(=O)CCC(C)CCC=C(C)C 1458a_100000185857_100009814015 [0,2,0,0,0,0|2,0,0]=4 694 B14R0.222 CC(=CCCC(C)CN[C@H](C)C(=O)N)C 270004a_100000119354_100000033009 [0,2,0,0,0,0|2,0,0]=4 695 B14R0.222 CC(=O)C(=O)COC(C)CCC=C(C)C 34a_100102619829_100011261029 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.28 C/C=C/CNC1CCNC(=O)C1 34a_100016994916_100102629194 [1,0,0,1,0,0|2,0,0]=4 697 B12R1.28 C/C=C/COC1CCCC(=O)C1 34a_100012613340_100102629194 [1,0,0,1,0,0|2,0,0]=4 698 B12R1.28 C/C=C/CO[C@@H]1CCNC(=O)C1 34a_100015189427_100102629194 [1,0,0,1,0,0|2,0,0]=4 699 B12R1.28 C=COCCN1CCC=C(C1)C 2230a_100000725631_100000039644 [1,0,0,1,0,0|2,0,0]=4 700 B12R1.28 C=COCCN1CCC=C(C1)C 269982a_100000725631_100000039644 [1,0,0,1,0,0|2,0,0]=4 701 B12R1.28 C=COCCN1CCC=C(C1)C 34a_100000725631_100000039644 [1,0,0,1,0,0|2,0,0]=4 702 B12R1.28 CC1=CCCN(C1)CCCC=O 2230a_100000725631_200011292268 [1,0,0,1,0,0|2,0,0]=4 703 B12R1.28 CC1=CCCN(C1)CCCC=O 269982a_100000725631_200011292268 [1,0,0,1,0,0|2,0,0]=4 704 B12R1.28 CC=CCNC1CCNC(=O)C1 2230a_100016994916_100000070051 [1,0,0,1,0,0|2,0,0]=4 705 B12R1.28 CC=CCNC1CCNC(=O)C1 34a_100016994916_100000070051 [1,0,0,1,0,0|2,0,0]=4 706 B12R1.28 CC=CCOC1CCCC(=O)C1 34a_100012613340_100000070051 [1,0,0,1,0,0|2,0,0]=4 707 B12R1.28 CC=CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000070051 [1,0,0,1,0,0|2,0,0]=4 708 B12R1.1997 CC1(CC=CCC1)COCC=O 34a_200000074738_200009817547 [1,0,0,1,0,0|2,0,0]=4 709 B12R1.105 CC(=CCCN1CNC(=O)C1)C 2230a_200000708111_100011217483 [1,0,0,1,0,0|2,0,0]=4 710 B12R1.105 CC(=CCNC1CNC(=O)C1)C 2230a_100000697751_100000761012 [1,0,0,1,0,0|2,0,0]=4 711 B12R1.105 CC(=CCNC1COC(=O)O1)C 34a_100000718196_100000032252 [1,0,0,1,0,0|2,0,0]=4 712 B12R1.105 CC(=CCOC1CCC(=O)C1)C 34a_100012614533_100000761012 [1,0,0,1,0,0|1,0,0]=3 713 B12R1.105 CC(=CCOC1CNC(=O)C1)C 34a_100000690082_100000761012 [1,0,0,1,0,0|2,0,0]=4 714 B12R1.105 CC(=CCOC1COC(=O)O1)C 34a_100000753907_100000032252 [1,0,0,1,0,0|2,0,0]=4 715 B12R1.105 CC(=CCSC1COC(=O)O1)C 62a_100000761012_100000032252 [1,0,0,1,0,0|2,0,0]=4 716 B12R1.252 CC(=CCCN1CC=CCC1)C 2230a_100000698166_100011217483 [1,0,0,1,0,0|2,0,0]=4 717 B12R1.252 CC(=CCCN1CC=CCC1)C 269982a_100000698166_100011217483 [1,0,0,1,0,0|2,0,0]=4 718 B12R1.252 CC(=CCCN1CC=CCC1)C 34a_100000698166_100011217483 [1,0,0,1,0,0|2,0,0]=4 719 B12R1.252 CC(=CCCN1CCOCC1)C 2230a_100015191051_100011217483 [1,0,0,1,0,0|1,0,1]=4 720 B12R1.252 CC(=CCCN1CCOCC1)C 269982a_100015191051_100011217483 [1,0,0,1,0,0|1,0,1]=4 721 B12R1.252 CC(=CCCN1CCOCC1)C 34a_100015191051_100011217483 [1,0,0,1,0,0|1,0,1]=4 722 B12R1.252 CC(=CCNC1CCOCC1)C 2230a_100000741149_100000761012 [1,0,0,1,0,0|1,0,1]=4 723 B12R1.252 CC(=CCNC1CCOCC1)C 270004a_100000718196_100011217826 [1,0,0,1,0,0|1,0,1]=4 724 B12R1.252 CC(=CCNC1CCOCC1)C 34a_100000741149_100000761012 [1,0,0,1,0,0|1,0,1]=4 725 B12R1.252 CC(=CCOC1CC=CCC1)C 34a_100000073881_100000761012 [1,0,0,1,0,0|2,0,0]=4 726 B12R1.252 CC(=CCOC1CCOCC1)C 34a_100000744328_100000761012 [1,0,0,1,0,0|1,0,1]=4 727 B12R1.252 CC(=CCSC1CCOCC1)C 62a_100000761012_100011324220 [1,0,0,1,0,0|1,0,1]=4 728 B12R1.430 COC1CN(C1)CCC=C(C)C 269982a_100000755009_100011217483 [1,0,0,1,0,0|1,0,1]=4 729 B12R1.430 CO[C@H]1C[C@@H](C1)NCC=C(C)C 2230a_100121570643_100000761012 [1,0,0,1,0,0|1,0,1]=4 730 B12R1.1357 CC(=CCCN(C)C1COC1)C 2230a_100102693430_100011217483 [1,0,0,1,0,0|1,0,1]=4 731 B12R1.1357 CC(=CCCN(C)C1COC1)C 269982a_100102693430_100011217483 [1,0,0,1,0,0|1,0,1]=4 732 B12R1.1809 CC(=CCNC1(CCOC1)C)C 2230a_100000693475_100000761012 [1,0,0,1,0,0|1,0,1]=4 733 B12R1.130 CC(=CCNC1CCCC1=O)C 34a_100000718196_100000709159 [1,0,0,1,0,0|2,0,0]=4 734 B12R1.130 CC(=CCNC1CCNC1=O)C 2230a_100016995588_100000761012 [1,0,0,1,0,0|2,0,0]=4 735 B12R1.130 CC(=CCNC1CCNC1=O)C 34a_100016995588_100000761012 [1,0,0,1,0,0|2,0,0]=4 736 B12R1.130 CC(=CCNC1CCOC1=O)C 34a_100000718196_100000211211 [1,0,0,1,0,0|1,0,0]=3 737 B12R1.130 CC(=CCOC1CCCC1=O)C 34a_100000753907_100000709159 [1,0,0,1,0,0|2,0,0]=4 738 B12R1.130 CC(=CCOC1CCCC1=O)C 34a_200000719330_100000761012 [1,0,0,1,0,0|2,0,0]=4 739 B12R1.130 CC(=CCOC1CCOC1=O)C 34a_100000753907_100000211211 [1,0,0,1,0,0|1,0,0]=3 740 B12R1.130 CC(=CCO[C@H]1CCNC1=O)C 34a_100000688343_100000761012 [1,0,0,1,0,0|2,0,0]=4 741 B12R1.130 CC(=CCSC1CCCC1=O)C 62a_100000211823_100000761012 [1,0,0,1,0,0|2,0,0]=4 742 B12R1.130 CC(=CCSC1CCCC1=O)C 62a_100000761012_100000211823 [1,0,0,1,0,0|2,0,0]=4 743 B12R1.130 CC(=CCSC1CCOC1=O)C 62a_100000211211_100000761012 [1,0,0,1,0,0|1,0,0]=3 744 B12R1.130 CC(=CCSC1CCOC1=O)C 62a_100000761012_100000211211 [1,0,0,1,0,0|1,0,0]=3 745 B12R1.229 CC(=CCCSC1CCC1=O)C 62a_100009892977_100011217483 [1,0,0,1,0,0|2,0,0]=4 746 B12R1.229 CC(=CCCSC1CCC1=O)C 62a_100011217483_100009892977 [1,0,0,1,0,0|2,0,0]=4 747 B12R1.1 C=COCCN1CC=C(CC1)C 2230a_100000693516_100000039644 [0,0,0,1,1,0|2,0,0]=4 748 B12R1.1 C=COCCN1CC=C(CC1)C 269982a_100000693516_100000039644 [0,0,0,1,1,0|2,0,0]=4 749 B12R1.1 C=COCCN1CC=C(CC1)C 34a_100000693516_100000039644 [0,0,0,1,1,0|2,0,0]=4 750 B12R1.1 CC1=CCN(CC1)CCCC=O 2230a_100000693516_200011292268 [0,0,0,1,1,0|2,0,0]=4 751 B12R1.1 CC1=CCN(CC1)CCCC=O 269982a_100000693516_200011292268 [0,0,0,1,1,0|2,0,0]=4 752 B12R1.226 C=C(C)CCN1CCOC(=O)C1 2230a_100000131268_100000730704 [0,0,0,1,1,0|1,0,1]=4 753 B12R1.226 CC(=CCN1CCNC(=O)C1)C 2230a_100000184651_100000761012 [0,0,0,1,1,0|2,0,0]=4 754 B12R1.226 CC(=CCN1CCOC(=O)C1)C 2230a_100000131268_100000761012 [0,0,0,1,1,0|1,0,0]=3 755 B12R1.226 CC(C)CCN1CCOC(=O)C1 2230a_100000131268_100000210312 [0,0,0,1,1,0|1,0,1]=4 756 B14R1.20 CCOCCC(C)N1CCC=C(C1)C 270004a_100000725631_200011216536 [0,0,0,1,0,1|1,0,1]=4 757 B14R1.148 CC(=CCCNC1CCNC(=O)C1)C 2230a_100016994916_100011217483 [0,0,0,1,0,1|1,0,0]=3 758 B14R1.148 CC(=CCCNC1CCNC(=O)C1)C 34a_100016994916_100011217483 [0,0,0,1,0,1|1,0,0]=3 759 B14R1.148 CC(=CCCOC1CCCC(=O)C1)C 34a_100012613340_100011217483 [0,0,0,1,0,1|1,0,0]=3 760 B14R1.148 CC(=CCCOC1CCOC(C1)C)C 34a_100011986385_100011217483 [0,0,0,1,0,1|1,0,1]=4 761 B14R1.148 CC(=CCCOC1CCOC(C1)C)C 7a_100011986385_100011217483 [0,0,0,1,0,1|1,0,1]=4 762 B14R1.148 CC(=CCCO[C@@H]1CCNC(=O)C1)C 34a_100015189427_100011217483 [0,0,0,1,0,1|1,0,0]=3 763 B14R1.148 CC(=CCOCC1CCCC(=O)N1)C 34a_200000102386_100000761012 [0,0,0,1,0,1|2,0,0]=4 764 B14R1.148 CC(=CCOCC1CCNC(=O)C1)C 34a_100009886756_100000761012 [0,0,0,1,0,1|1,0,0]=3 765 B14R1.16462 CC(=CCCNC1(CCOCC1)C)C 2230a_100000692449_100011217483 [0,0,0,1,0,1|1,0,1]=4 766 B14R1.16462 CC(=CCCNC1(CCOCC1)C)C 34a_100000692449_100011217483 [0,0,0,1,0,1|1,0,1]=4 767 B14R1.16462 CC(=CCCOC1(CCOCC1)C)C 34a_100011827762_100011217483 [0,0,0,1,0,1|1,0,1]=4 768 B14R1.16462 CC(=CCCOC1(CCOCC1)C)C 7a_100011827762_100011217483 [0,0,0,1,0,1|1,0,1]=4 769 B14R1.16462 CC(=CCNCC1(CCOCC1)C)C 2230a_100000695556_100000761012 [0,0,0,1,0,1|1,0,1]=4 770 B14R1.16462 CC(=CCNCC1(CCOCC1)C)C 34a_100000695556_100000761012 [0,0,0,1,0,1|1,0,1]=4 771 B14R1.16462 CC(=CCOCC1(CC=CCC1)C)C 34a_200000074738_100000761012 [0,0,0,1,0,1|2,0,0]=4 772 B14R1.16462 CC(=CCOCC1(CCOCC1)C)C 34a_100000704393_100000761012 [0,0,0,1,0,1|1,0,1]=4 773 B14R1.16462 CC(=CCOCC1(CCOCC1)C)C 7a_100000704393_100000761012 [0,0,0,1,0,1|1,0,1]=4 774 B14R1.420 CC(=CCCC(C)N1CC=CCC1)C 270004a_100000698166_100000765506 [0,1,0,1,0,0|2,0,0]=4 775 B14R1.420 CC(=CCCC(C)N1CCOCC1)C 270004a_100015191051_100000765506 [0,1,0,1,0,0|1,0,1]=4 776 B14R1.760 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC=O)C 34a_100016197468_200009817547 [0,1,0,1,0,0|0,0,2]=4 777 B14R1.760 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC=O)C 7a_100016197468_200015260668 [0,1,0,1,0,0|0,0,2]=4 778 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC=O)C 34a_100000763588_200009817547 [0,1,0,1,0,0|0,0,2]=4 779 B14R1.760 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC=O)C 7a_100000763588_200015260668 [0,1,0,1,0,0|0,0,2]=4 780 B14R1.810 CC(=CCCC(C)NC1CC=CC1)C 270004a_100015188752_100000765506 [0,1,0,1,0,0|2,0,0]=4 781 B14R1.810 CC(=CCCC(C)N[C@@H]1CCOC1)C 270004a_200015188469_100000765506 [0,1,0,1,0,0|1,0,1]=4 782 B14R1.810 CC(=CCCC(C)N[C@H]1CCOC1)C 270004a_100015188467_100000765506 [0,1,0,1,0,0|1,0,1]=4 783 B14R1.810 CC(=CCCC(C)OC1CCOC1)C 34a_100102619829_100000690089 [0,1,0,1,0,0|1,0,1]=4 784 B14R1.810 CC(=CCCC(C)OC1CCOC1)C 7a_100102619829_100000731011 [0,1,0,1,0,0|1,0,1]=4 785 B14R1.1469 CC(=CCCC(C)NC[C@@H]1CCO1)C 270004a_100020831831_100000765506 [0,1,0,1,0,0|1,0,1]=4 786 B14R1.1469 CC(=CCCC(C)OCC1CCO1)C 34a_100102619829_100000103362 [0,1,0,1,0,0|1,0,1]=4 787 B14R1.1469 CC(=CCCC(C)OCC1CCO1)C 7a_100102619829_100000103362 [0,1,0,1,0,0|1,0,1]=4 788 B14R1.1470 CC(=CCCC(C)CCOC1CC1)C 34a_100000017536_100000211595 [0,1,0,1,0,0|1,0,1]=4 789 B14R1.4898 CC(=CCCN1CCCNC(=O)C1)C 2230a_100015190381_100011217483 [0,1,0,1,0,0|2,0,0]=4 790 B14R1.6001 CC(=CCCC(C)OC1CCC1=O)C 34a_100102619829_100009892977 [0,1,0,1,0,0|1,0,0]=3 791 B14R1.6001 CC(=CCCC(C)OC1CCC1=O)C 7a_100102619829_100009892977 [0,1,0,1,0,0|1,0,0]=3 792 B14R1.149 CC(=CCC(=O)C1CCNC(=O)C1)C 1458a_100000132800_100000761012 [0,1,0,1,0,0|1,0,1]=4 793 B14R1.149 CC(=CCC(=O)N1CCOC(=O)C1)C 11a_100000131268_100011220947 [0,1,0,1,0,0|1,0,1]=4 794 B14R1.149 CC(=CCC(=O)N1CCOC(=O)C1)C 240690a_100000131268_100011220947 [0,1,0,1,0,0|1,0,1]=4 795 B14R1.149 CC(=CCC(=O)N1CCOC(=O)C1)C 527a_100000131268_100011220947 [0,1,0,1,0,0|1,0,1]=4 796 B14R1.154 CC(=CCCN1CCNC(=O)C1C)C 2230a_100000750721_100011217483 [0,1,0,1,0,0|2,0,0]=4 797 B14R1.154 CC(=CCCN1CCNC(=O)C1C)C 269982a_100000750721_100011217483 [0,1,0,1,0,0|2,0,0]=4 798 B14R1.154 CC(=CCCN1CCNC(=O)C1C)C 34a_100000750721_100011217483 [0,1,0,1,0,0|2,0,0]=4 799 B14R1.4917 CC(=CCCN1CCNC(=O)CC1)C 2230a_100000698595_100011217483 [0,1,0,1,0,0|2,0,0]=4 800 B14R1.4917 CC(=CCCN1CCNC(=O)CC1)C 269982a_100000698595_100011217483 [0,1,0,1,0,0|2,0,0]=4 801 B14R1.5956 CN(C)C(=O)CCN1CCOC(=O)C1 2230a_100000131268_100000737620 [0,1,0,1,0,0|2,0,0]=4 802 B14R1.687 CC(=CCCN1CCN(C(=O)C1)C)C 2230a_100000187256_100011217483 [0,1,0,1,0,0|2,0,0]=4 803 B14R1.687 CC(=CCCN1CCN(C(=O)C1)C)C 269982a_100000187256_100011217483 [0,1,0,1,0,0|2,0,0]=4 804 B14R1.687 CC(=CCNC1CCN(C(=O)C1)C)C 2230a_100000126938_100000761012 [0,1,0,1,0,0|2,0,0]=4 805 B14R1.687 CC(=CCNC1CCN(C(=O)C1)C)C 34a_100000126938_100000761012 [0,1,0,1,0,0|2,0,0]=4 806 B14R1.1456 CC(=CCCN1CC(C1)CC(=O)O)C 269956a_100016993960_100011217483 [0,1,0,1,0,0|2,0,0]=4 807 B14R1.1456 CC(=O)OC1CN(C1)CCC=C(C)C 269982a_100016994906_100011217483 [0,1,0,1,0,0|1,0,0]=3 808 B14R1.6314 CC(=CCCN1CCC(C1)C(=O)N)C 2230a_100000752358_100011217483 [0,1,0,1,0,0|2,0,0]=4 809 B14R1.6314 CC(=CCCN1CCC(C1)C(=O)N)C 269982a_100000752358_100011217483 [0,1,0,1,0,0|2,0,0]=4 810 B14R1.6314 CC(=CCCN1CCC(C1)C(=O)N)C 34a_100000752358_100011217483 [0,1,0,1,0,0|2,0,0]=4 811 B14R1.6314 CC(=CCN[C@H]1CC[C@H](C1)C(=O)O)C 269956a_100015195206_100000761012 [0,1,0,1,0,0|2,0,0]=4 812 B14R1.6314 CC(=O)N1CCC(C1)NCC=C(C)C 2230a_100000705975_100000761012 [0,1,0,1,0,0|2,0,0]=4 813 B14R1.6314 CC(=O)N1CC[C@@H](C1)OCC=C(C)C 7a_100012000934_100000761012 [0,1,0,1,0,0|2,0,0]=4 814 B10R0.78 C=CCCN(C)CC=C(C)C 2230a_100020639649_100000761012 [1,0,0,0,1,0|2,0,0]=4 815 B10R0.78 C=CCCN(C)CC=C(C)C 269982a_100020639649_100000761012 [1,0,0,0,1,0|2,0,0]=4 816 B10R0.78 CC(C)CCC(C)NCC=O 2230a_100138410893_200015260668 [1,0,0,0,1,0|1,0,1]=4 817 B10R0.78 CC(C)CCC(C)OCC=O 34a_100011215350_200009817547 [1,0,0,0,1,0|1,0,1]=4 818 B10R0.78 CC(C)CCC(C)OCC=O 7a_100011215350_200015260668 [1,0,0,0,1,0|1,0,1]=4 819 B10R0.78 CC(C)CCC(C)SCC=O 62a_100011261404_200015260668 [1,0,0,0,1,0|1,0,1]=4 820 B10R0.78 CC(C)CCC(C)SCC=O 62a_200015260668_100011261404 [1,0,0,0,1,0|1,0,1]=4 821 B10R0.78 COCCN(C)CC=C(C)C 2230a_100000743101_100000761012 [1,0,0,0,1,0|1,0,1]=4 822 B10R0.78 COCCN(C)CC=C(C)C 269982a_100000743101_100000761012 [1,0,0,0,1,0|1,0,1]=4