0 B10R1.16 C#CCNC1COC(=O)O1 34a_100000212058_100000032252 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.16 C#CCOC1CCC(=O)C1 34a_100012614533_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.16 C#CCOC1COC(=O)O1 34a_100000210247_100000032252 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.16 C#CCSC1COC(=O)O1 62a_100000038162_100000032252 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.16 C=CCOC1CCC(=O)C1 34a_100012614533_100015514636 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.16 C=CCOC1COC(=O)O1 34a_200000210373_100000032252 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.16 C=CCSC1COC(=O)O1 62a_100000210623_100000032252 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.16 CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210211 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.16 CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210211 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.16 CCCCN1CC[C@@H](C1)F 34a_100015203821_100000210210 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.16 CCCCc1nnc(o1)C 271570a_100020621405_100000708914 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.16 CCCSC1CCN(C1)C 62a_100000210303_200012183744 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.16 CCOCC1=CC(=O)OC1 34a_100121572206_100000716558 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.16 CCOCC1CCN(C1)C 34a_100121572206_200000690779 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.16 CCSCC1CCN(C1)C 62a_100000210202_200000690779 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.16 CCSCC1CCN(C1)C 62a_200000690779_100000210202 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.16 COCCN1CNC(=O)C1 2230a_200000708111_100011201679 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.16 COCNC1CNC(=O)C1 2230a_100000697751_100000766300 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.16 CSCCN1CNC(=O)C1 2230a_200000708111_100000751147 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.16 CSCNC1CNC(=O)C1 2230a_100000697751_100011218213 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.16 CSCOC1CNC(=O)C1 34a_100000690082_100011218213 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.16 N#CCSC1COC(=O)O1 62a_100011215382_100000032252 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.16 NCCOC1COC(=O)O1 34a_100000210304_100000032252 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.16 O=C1CC(CN1)CNCF 34a_100016993742_100015361967 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.16 O=C1CC(CN1)COCF 34a_100016041077_100015361967 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.16 O=C1CC(CN1)NCCF 2230a_100000697751_100011217306 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.16 O=C1CC(CN1)NCCO 2230a_100000697751_100000211926 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.16 O=C1CC(CN1)OCCF 34a_100000690082_100011217306 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.16 O=C1CC(CN1)OCCO 34a_100000690082_100000211926 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.16 O=C1CN(CN1)CCCF 2230a_200000708111_100011934791 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.16 O=C1CN(CN1)CCCO 2230a_200000708111_100000230001 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.16 O=C1NCC(O1)COCF 34a_100011315639_100015361967 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.16 O=C1NCC(O1)CSCF 62a_100000181169_100015361967 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.16 O=C1NCC(O1)CSCF 62a_100015361967_100000181169 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015307671_100015361967 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.16 O=C1N[C@H](CO1)CSCF 62a_100015361967_100015307671 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.16 O=C1OCC(O1)NCCF 34a_100000724931_100000032252 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.16 O=C1OCC(O1)OCCBr 34a_100000211926_100000032252 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.16 O=C1OCC(O1)SCCF 62a_100011217306_100000032252 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [0,0,0,0,0,0|3,0,1]=4 93 B10R1.16 O=CCSC1COC(=O)O1 62a_200015260668_100000032252 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [0,0,0,0,0,0|3,0,0]=3 95 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.12 CCCCN1CC=CC1 269982a_100015195280_100000210211 [1,0,0,0,0,0|2,0,1]=4 146 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.12 CCCCN1CCSC1 2230a_100011215254_100000210211 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.12 CCCCN1CCSC1 269982a_100011215254_100000210211 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,0,0|0,0,3]=4 151 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,0,0,0,0,0|1,0,2]=4 152 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,0,0,0,0,0|1,0,2]=4 153 B9R1.12 CCCNC1CC=CC1 2230a_100015188752_100000210303 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.12 CCCNC1CCSC1 270004a_100020643023_100000212027 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,0,0,0|1,0,1]=3 166 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,0,0,0|1,0,1]=3 177 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,0,0,0|1,0,1]=3 184 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,0,0,0|1,0,1]=3 185 B9R1.12 CCOCC1CC=CC1 34a_100000688395_100000210202 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,0,0,0|2,0,1]=4 189 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,0,0,0|1,0,1]=3 190 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,0,0,0|1,0,1]=3 191 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,0,0,0|1,0,1]=3 201 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,0,0,0|1,0,1]=3 202 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,0,0,0,0,0|2,0,1]=4 210 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,0,0,0,0,0|2,0,1]=4 219 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [1,0,0,0,0,0|2,0,1]=4 222 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,0,0,0,0,0|2,0,1]=4 224 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [1,0,0,0,0,0|2,0,1]=4 225 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [1,0,0,0,0,0|2,0,1]=4 226 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [1,0,0,0,0,0|2,0,1]=4 227 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [1,0,0,0,0,0|2,0,1]=4 228 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [1,0,0,0,0,0|2,0,1]=4 229 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [1,0,0,0,0,0|2,0,1]=4 230 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [1,0,0,0,0,0|2,0,1]=4 231 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [1,0,0,0,0,0|2,0,1]=4 233 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,0,0,0,0,0|2,0,1]=4 235 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [1,0,0,0,0,0|2,0,1]=4 236 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [1,0,0,0,0,0|2,0,1]=4 237 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,0,0,0,0,0|2,0,1]=4 238 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,0,0,0,0,0|2,0,1]=4 239 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,0,0,0,0,0|2,0,1]=4 242 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,0,0,0,0,0|2,0,1]=4 243 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [1,0,0,0,0,0|2,0,1]=4 244 B11R1.15 C#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000184674 [0,1,0,0,0,0|0,0,3]=4 245 B11R1.15 C=CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210623 [0,1,0,0,0,0|0,0,3]=4 246 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [0,1,0,0,0,0|1,0,1]=3 247 B11R1.15 CCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210303 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.15 CCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210303 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,1,0,0,0,0|0,0,1]=2 250 B11R1.15 CCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210303 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.15 CCCC(C)N1CNC(=O)C1 2230a_200000708111_100000766640 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.15 CCNC(=O)C1CCC(=O)N1 240690a_100015525214_100000210400 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [0,1,0,0,0,0|1,0,1]=3 254 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [0,1,0,0,0,0|1,0,1]=3 255 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [0,1,0,0,0,0|1,0,1]=3 256 B11R1.15 CNNC(=O)[C@@H]1CCC(=O)O1 22a_100016993582_100009814974 [0,1,0,0,0,0|2,0,1]=4 257 B11R1.15 N#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011214920 [0,1,0,0,0,0|1,0,2]=4 258 B11R1.15 O=C1CCC(N1)C(=O)CCF 1458a_100000210400_100011217306 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.15 O=C1CCC(N1)C(=O)CCO 1458a_100000210400_100000211926 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.15 O=C1CC[C@H](O1)C(=O)CCF 1458a_100009814974_100011217306 [0,1,0,0,0,0|1,0,1]=3 261 B11R1.15 O=C1CC[C@H](O1)C(=O)CCO 1458a_100009814974_100000211926 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.27 C#CCCNC1COC(=O)O1 34a_100000755551_100000032252 [0,1,0,0,0,0|1,0,2]=4 263 B11R1.27 C#CCCOC1CCC(=O)C1 34a_100012614533_100000688953 [0,1,0,0,0,0|1,0,2]=4 264 B11R1.27 C#CCCOC1COC(=O)O1 34a_100011215631_100000032252 [0,1,0,0,0,0|1,0,2]=4 265 B11R1.27 C#CCCSC1COC(=O)O1 62a_100000688953_100000032252 [0,1,0,0,0,0|1,0,2]=4 266 B11R1.27 C#CCNCC1CNC(=O)O1 34a_100000212058_100000181169 [0,1,0,0,0,0|1,0,2]=4 267 B11R1.27 C#CCNCC1COC(=O)O1 34a_100000212058_100000073702 [0,1,0,0,0,0|1,0,2]=4 268 B11R1.27 C#CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000038162 [0,1,0,0,0,0|1,0,2]=4 269 B11R1.27 C#CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000184674 [0,1,0,0,0,0|1,0,2]=4 270 B11R1.27 C#CCOCC1CCC(=O)N1 34a_100000737831_100000184674 [0,1,0,0,0,0|1,0,2]=4 271 B11R1.27 C#CCOCC1CNC(=O)O1 34a_100000210247_100000181169 [0,1,0,0,0,0|1,0,2]=4 272 B11R1.27 C#CCOCC1CNC(=O)O1 34a_100011315639_100000184674 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.27 C#CCOCC1COC(=O)O1 34a_100000210247_100000073702 [0,1,0,0,0,0|1,0,2]=4 274 B11R1.27 C#CCSCC1CNC(=O)O1 62a_100000038162_100000181169 [0,1,0,0,0,0|1,0,2]=4 275 B11R1.27 C#CCSCC1COC(=O)O1 62a_100000038162_100000073702 [0,1,0,0,0,0|1,0,2]=4 276 B11R1.27 C#CCSC[C@@H]1CCC(=O)N1 62a_100000038162_100015189358 [0,1,0,0,0,0|1,0,2]=4 277 B11R1.27 C/C=C/COC1CCC(=O)C1 34a_100012614533_100102629194 [0,1,0,0,0,0|1,0,2]=4 278 B11R1.27 C/C=C/COC1COC(=O)O1 34a_100016270725_100000032252 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.27 C/C=C/CSC1COC(=O)O1 62a_100102629194_100000032252 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.27 C=CCCOC1CCC(=O)C1 34a_100012614533_100000754431 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.27 C=CCCOC1COC(=O)O1 34a_100011205117_100000032252 [0,1,0,0,0,0|1,0,2]=4 282 B11R1.27 C=CCCSC1COC(=O)O1 62a_100000754431_100000032252 [0,1,0,0,0,0|1,0,2]=4 283 B11R1.27 C=CCNCC1CNC(=O)O1 2230a_100020586998_100000181169 [0,1,0,0,0,0|1,0,2]=4 284 B11R1.27 C=CCNC[C@@H]1CCC(=O)N1 2230a_100020586998_100015189358 [0,1,0,0,0,0|1,0,2]=4 285 B11R1.27 C=CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210623 [0,1,0,0,0,0|1,0,2]=4 286 B11R1.27 C=CCNC[C@H]1CCC(=O)N1 34a_100015423886_100015514636 [0,1,0,0,0,0|1,0,2]=4 287 B11R1.27 C=CCOCC1CCC(=O)N1 34a_100000737831_100015514636 [0,1,0,0,0,0|1,0,2]=4 288 B11R1.27 C=CCOCC1CNC(=O)O1 34a_100011315639_100015514636 [0,1,0,0,0,0|1,0,2]=4 289 B11R1.27 C=CCOCC1CNC(=O)O1 34a_200000210373_100000181169 [0,1,0,0,0,0|1,0,2]=4 290 B11R1.27 C=CCOCC1COC(=O)O1 34a_200000210373_100000073702 [0,1,0,0,0,0|1,0,2]=4 291 B11R1.27 C=CCSCC1CNC(=O)O1 62a_100000181169_100000210623 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.27 C=CCSCC1CNC(=O)O1 62a_100000210623_100000181169 [0,1,0,0,0,0|1,0,2]=4 293 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000073702_100000210623 [0,1,0,0,0,0|1,0,2]=4 294 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000210623_100000073702 [0,1,0,0,0,0|1,0,2]=4 295 B11R1.27 C=CCSC[C@@H]1CCC(=O)N1 62a_100000210623_100015189358 [0,1,0,0,0,0|1,0,2]=4 296 B11R1.27 C=CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210623 [0,1,0,0,0,0|1,0,2]=4 297 B11R1.27 CC#CCNC1COC(=O)O1 34a_100000685387_100000032252 [0,1,0,0,0,0|1,0,2]=4 298 B11R1.27 CC#CCOC1CCC(=O)C1 34a_100012614533_100000748600 [0,1,0,0,0,0|1,0,2]=4 299 B11R1.27 CC#CCOC1COC(=O)O1 34a_100000761923_100000032252 [0,1,0,0,0,0|1,0,2]=4 300 B11R1.27 CC#CCSC1COC(=O)O1 62a_100000748600_100000032252 [0,1,0,0,0,0|1,0,2]=4 301 B11R1.27 CC=CCOC1CCC(=O)C1 34a_100012614533_100000070051 [0,1,0,0,0,0|1,0,2]=4 302 B11R1.27 CC=CCSC1COC(=O)O1 62a_100000070051_100000032252 [0,1,0,0,0,0|1,0,2]=4 303 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.27 CCCCNC1CCC(C1)C 270004a_100000102301_100011215218 [0,1,0,0,0,0|2,0,1]=4 305 B11R1.27 CCCCNC1CCC(C1)O 270004a_100000102301_100012614533 [0,1,0,0,0,0|1,0,2]=4 306 B11R1.27 CCCCNC1CCN(C1)C 7a_106832991798_200012183744 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210211 [0,1,0,0,0,0|1,0,2]=4 309 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,1,0,0,0,0|1,0,0]=2 310 B11R1.27 CCCCOC1CCC(C1)C 34a_100000698185_100000210210 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.27 CCCCOC1CCN(C1)C 7a_100000210227_200012183744 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,1,0,0,0,0|1,0,0]=2 314 B11R1.27 CCCCSC1CCN(C1)C 62a_100000210211_200012183744 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,1,0,0,0,0|1,0,0]=2 316 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,1,0,0,0,0|1,0,0]=2 319 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,1,0,0,0,0|1,0,0]=2 320 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,1,0,0,0,0|1,0,0]=2 322 B11R1.27 CCCOCC1CCN(C1)C 2230a_200011652792_200000210301 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.27 CCCOCC1CCN(C1)C 269982a_200011652792_200000210301 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.27 CCCOCC1CCN(C1)C 34a_100000210258_200000690779 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.27 CCCOCC1CCN(C1)C 34a_200011652792_200000210301 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.27 CCCOCC1CCN(C1)[13CH3] 2230a_200011652792_200025704644 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.27 CCCOCC1CCN(C1)[13CH3] 269982a_200011652792_200025704644 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.27 CCCOCC1CCN(C1)[13CH3] 34a_200011652792_200025704644 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,1,0,0,0,0|1,0,0]=2 331 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.27 CCCSCC1CCN(C1)C 62a_100000210303_200000690779 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.27 CCCSCC1CCN(C1)C 62a_200000690779_100000210303 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,1,0,0,0,0|1,0,0]=2 339 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,1,0,0,0,0|1,0,0]=2 340 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,1,0,0,0,0|1,0,0]=2 341 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,1,0,0,0,0|1,0,0]=2 342 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,1,0,0,0,0|1,0,0]=2 343 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,1,0,0,0,0|1,0,0]=2 344 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.27 CCOCCN1CNC(=O)C1 2230a_200000708111_100011215890 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.27 CCOCSC1COC(=O)O1 62a_100000739092_100000032252 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.27 CCSCCC1COS(=O)O1 62a_100000210202_100009840081 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.27 CCSCCN1CNC(=O)C1 2230a_200000708111_100000757381 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.27 COCCCN1CNC(=O)C1 2230a_200000708111_100000740836 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.27 COCCNC1CNC(=O)C1 2230a_100000697751_100011201679 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.27 COCCOC1CNC(=O)C1 34a_100000690082_100011201679 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.27 COCCOC1COC(=O)O1 34a_100000210237_100000032252 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.27 COCCSC1COC(=O)O1 62a_100000233755_100000032252 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.27 COCNCC1CNC(=O)C1 2230a_100016993742_100000766300 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.27 COCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000766300 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.27 COCSCC1CNC(=O)O1 62a_100000181169_100000766300 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.27 COCSCC1CNC(=O)O1 62a_100000766300_100000181169 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.27 COCSCC1COC(=O)O1 62a_100000073702_100000766300 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.27 COCSCC1COC(=O)O1 62a_100000766300_100000073702 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100000766300_100015189358 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000766300 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100000766300_100015307671 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100015307671_100000766300 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.27 CSCCNC1CNC(=O)C1 2230a_100000697751_100000751147 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.27 CSCCOC1CNC(=O)C1 34a_100000690082_100000212216 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.27 CSCCOC1COC(=O)O1 34a_100000230434_100000032252 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.27 CSCCSC1COC(=O)O1 62a_100000212216_100000032252 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.27 CSCNCC1CNC(=O)C1 2230a_100016993742_100011218213 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.27 CSCNCC1CNC(=O)C1 34a_100016993742_100011218213 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.27 CSCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218213 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.27 CSCNC[C@H]1CCC(=O)N1 34a_100015423886_100011218213 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.27 CSCOCC1CCC(=O)N1 34a_100000737831_100011218213 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.27 CSCOCC1CNC(=O)C1 34a_100016041077_100011218213 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.27 CSCOCC1CNC(=O)O1 34a_100011315639_100011218213 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.27 CSCSCC1CNC(=O)O1 62a_100000181169_100011218213 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.27 CSCSCC1CNC(=O)O1 62a_100011218213_100000181169 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.27 CSCSCC1COC(=O)O1 62a_100000073702_100011218213 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.27 CSCSCC1COC(=O)O1 62a_100011218213_100000073702 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100011218213_100015189358 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218213 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100011218213_100015307671 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100015307671_100011218213 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.27 N#CCCSC1COC(=O)O1 62a_100011215226_100000032252 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.27 N#CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215382 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.27 N#CCSCC1CNC(=O)O1 62a_100000181169_100011215382 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.27 N#CCSCC1CNC(=O)O1 62a_100011215382_100000181169 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.27 N#CCSCC1COC(=O)O1 62a_100000073702_100011215382 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.27 N#CCSCC1COC(=O)O1 62a_100011215382_100000073702 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.27 N#CCSC[C@@H]1CCC(=O)N1 62a_100011215382_100015189358 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.27 N#CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215382 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.27 NCCCOC1COC(=O)O1 34a_100000182051_100000032252 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.27 NCCOCC1CNC(=O)O1 34a_100000210304_100000181169 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.27 NCCOCC1COC(=O)O1 34a_100000210304_100000073702 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.27 NCCOC[C@H]1COC(=O)N1 34a_100000210304_100015307671 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.27 NOCCOC1COC(=O)O1 34a_100000700252_100000032252 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.27 O=C1CC(CN1)CNCCF 2230a_100016993742_100011217306 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.27 O=C1CC(CN1)CNCCF 34a_100016993742_100011217306 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.27 O=C1CC(CN1)CNCCO 2230a_100016993742_100000211926 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.27 O=C1CC(CN1)CNCCO 34a_100016993742_100000211926 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.27 O=C1CC(CN1)COCCF 34a_100016041077_100011217306 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.27 O=C1CC(CN1)COCCO 34a_100016041077_100000211926 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.27 O=C1CC(CN1)NCCCF 2230a_100000697751_100011934791 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.27 O=C1CC(CN1)NCCCO 2230a_100000697751_100000230001 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.27 O=C1CC(CN1)OCCCF 34a_100000690082_100011934791 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.27 O=C1CC(CN1)OCCCO 34a_100000690082_100000230001 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.27 O=C1CCC(N1)COCCF 34a_100000737831_100011217306 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.27 O=C1CCC(N1)COCCO 34a_100000737831_100000211926 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.27 O=C1CC[C@@H](N1)CNCCF 2230a_100015423886_100011217306 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.27 O=C1CC[C@@H](N1)CNCCF 34a_100015423886_100011217306 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.27 O=C1CC[C@@H](N1)CNCCO 2230a_100015423886_100000211926 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.27 O=C1CC[C@@H](N1)CNCCO 34a_100015423886_100000211926 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.27 O=C1CC[C@H](N1)CNCCO 2230a_100016997473_100015189358 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100011217306_100015189358 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100015189358_100011217306 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100000211926_100015189358 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100015189358_100000211926 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.27 O=C1CN(CN1)CCCCF 2230a_200000708111_100000729493 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.27 O=C1CN(CN1)CCCCO 2230a_200000708111_100000210776 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.27 O=C1NCC(O1)CNCCF 34a_100000724931_100000181169 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.27 O=C1NCC(O1)CNCCO 2230a_100016997473_100000181169 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.27 O=C1NCC(O1)CNCCO 34a_100016990907_100000181169 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.27 O=C1NCC(O1)COCCBr 34a_100000211926_100000181169 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.27 O=C1NCC(O1)COCCF 34a_100011315639_100011217306 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.27 O=C1NCC(O1)COCCO 34a_100011315639_100000211926 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.27 O=C1NCC(O1)CSCCF 62a_100000181169_100011217306 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.27 O=C1NCC(O1)CSCCF 62a_100011217306_100000181169 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000181169_100000211926 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000211926_100000181169 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.27 O=C1N[C@H](CO1)CNCCF 34a_100000724931_100015307671 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.27 O=C1N[C@H](CO1)CNCCO 2230a_100016997473_100015307671 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.27 O=C1N[C@H](CO1)CNCCO 34a_100016990907_100015307671 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.27 O=C1N[C@H](CO1)COCCBr 34a_100000211926_100015307671 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100011217306_100015307671 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100015307671_100011217306 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100000211926_100015307671 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100015307671_100000211926 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.27 O=C1OCC(O1)CNCCF 34a_100000724931_100000073702 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.27 O=C1OCC(O1)CNCCO 34a_100016990907_100000073702 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.27 O=C1OCC(O1)COCCBr 34a_100000211926_100000073702 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.27 O=C1OCC(O1)CSCCF 62a_100000073702_100011217306 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.27 O=C1OCC(O1)CSCCF 62a_100011217306_100000073702 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000073702_100000211926 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000211926_100000073702 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.27 O=C1OCC(O1)NCCCF 34a_100015189416_100000032252 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.27 O=C1OCC(O1)OCCCBr 34a_100011217188_100000032252 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.27 O=C1OCC(O1)OCCCCl 34a_100000230001_100000032252 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.27 O=C1OCC(O1)OCCCF 34a_100000759539_100000032252 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.27 O=C1OCC(O1)SCCCF 62a_100011934791_100000032252 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.27 O=C1OCC(O1)SCCCO 62a_100011215043_100000032252 [0,1,0,0,0,0|2,0,0]=3 455 B11R1.27 O=CCNC[C@H]1CCC(=O)N1 2230a_100015423886_200015260668 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.27 O=CCNC[C@H]1CCC(=O)N1 34a_100015423886_200009817547 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.27 O=CCOCC1CCC(=O)N1 34a_100000737831_200009817547 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.27 O=CCOCC1CNC(=O)O1 34a_100011315639_200009817547 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.27 O=CCSCC1CNC(=O)O1 62a_100000181169_200015260668 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.27 O=CCSCC1CNC(=O)O1 62a_200015260668_100000181169 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.27 O=CCSCC1COC(=O)O1 62a_100000073702_200015260668 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.27 O=CCSCC1COC(=O)O1 62a_200015260668_100000073702 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.27 O=CCSC[C@@H]1CCC(=O)N1 62a_100015189358_200015260668 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.27 O=CCSC[C@@H]1CCC(=O)N1 62a_200015260668_100015189358 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.27 O=S1OCC(O1)CCSCF 62a_100015361967_100009840081 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.39 CC(CF)OC1COC(=O)O1 34a_100016041109_100000032252 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.39 CC(CN)OC1COC(=O)O1 34a_100000210904_100000032252 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.39 CC(CO)OC1CCC(=O)C1 34a_100012614533_100012180447 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.39 CC(CO)SC1COC(=O)O1 62a_100012180447_100000032252 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.39 CCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210202 [0,1,0,0,0,0|1,0,1]=3 471 B11R1.39 CCC(=O)CC1CNC(=O)O1 1458a_100000210414_100000181169 [0,1,0,0,0,0|1,0,1]=3 472 B11R1.39 CCC(=O)CC1COC(=O)O1 1458a_100000210414_100000073702 [0,1,0,0,0,0|1,0,1]=3 473 B11R1.39 CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210414_100015189358 [0,1,0,0,0,0|1,0,1]=3 474 B11R1.39 CCC(=O)C[C@H]1COC(=O)N1 1458a_100000210414_100015307671 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.39 CCC(C)CN1CNC(=O)C1 2230a_200000708111_100000748023 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.39 CCC(C)NC1CNC(=O)C1 2230a_100000697751_100000758301 [0,1,0,0,0,0|3,0,0]=4 477 B11R1.39 CCC(C)OC1CCC(=O)C1 34a_100012614533_100011215416 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.39 CCC(C)OC1CNC(=O)C1 34a_100000690082_100011215416 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.39 CCC(C)SC1COC(=O)O1 62a_100000758301_100000032252 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.39 CCC(O)CN1CNC(=O)C1 2230a_200000708111_100011218378 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.39 CCN(C)CC1CNC(=O)O1 2230a_100000225621_100000181169 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.39 CCN(C)CC1CNC(=O)O1 269982a_100000225621_100000181169 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.39 CCN(C)CC1COC(=O)O1 269982a_100000225621_100000073702 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.39 CCN(C)C[C@@H]1CCC(=O)N1 2230a_100000225621_100015189358 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.39 CCN(C)C[C@@H]1CCC(=O)N1 269982a_100000225621_100015189358 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.39 CCN(C)C[C@H]1COC(=O)N1 2230a_100000225621_100015307671 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.39 CCN(C)C[C@H]1COC(=O)N1 269982a_100000225621_100015307671 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.39 CC[C@H](C)CN1CNC(=O)C1 2230a_200000708111_100009816398 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.39 CNC(=O)CC1CCC(=O)N1 1626a_100102657272_100000026770 [0,1,0,0,0,0|2,0,1]=4 490 B11R1.39 CNC(=O)CC1CCC(=O)N1 240690a_100102657272_100000026770 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.39 COC(C)SC1COC(=O)O1 62a_100009879195_100000032252 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.39 C[C@H](CO)SC1COC(=O)O1 62a_100016084084_100000032252 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.39 O=C(CF)CC1CCC(=O)N1 1458a_100000026770_100015361967 [0,1,0,0,0,0|2,0,1]=4 494 B11R1.39 O=C(CO)CC1CNC(=O)O1 1458a_100000210174_100000181169 [0,1,0,0,0,0|2,0,1]=4 495 B11R1.39 O=C(CO)CC1COC(=O)O1 1458a_100000210174_100000073702 [0,1,0,0,0,0|2,0,1]=4 496 B11R1.39 O=C(CO)C[C@@H]1CCC(=O)N1 1458a_100000210174_100015189358 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.75 C=C(C)COC1CCC(=O)C1 34a_100012614533_100000748629 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.75 C=C(C)COC1COC(=O)O1 34a_100000210245_100000032252 [0,1,0,0,0,0|2,0,1]=4 499 B11R1.75 C=C(C)CSC1COC(=O)O1 62a_100000748629_100000032252 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.75 CC(=O)CCC1COS(=O)O1 1458a_100000070787_100009840081 [0,1,0,0,0,0|2,0,1]=4 501 B11R1.75 CC(=O)COC1COC(=O)O1 34a_100000211253_100000032252 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100015343762 [0,1,0,0,0,0|2,0,1]=4 503 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100015343762 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100015343762 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100103153847 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.75 CC(Br)COC1COC(=O)O1 34a_100012180447_100000032252 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.75 CC(C)CCN1CNC(=O)C1 2230a_200000708111_100000210312 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.75 CC(C)CNC1CNC(=O)C1 2230a_100000697751_100000210760 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.75 CC(C)CNC1COC(=O)O1 34a_100000210953_100000032252 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.75 CC(C)COC1CCC(=O)C1 34a_100012614533_100000210624 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.75 CC(C)COC1CNC(=O)C1 34a_100000690082_100000210624 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.75 CC(C)COC1COC(=O)O1 34a_100000210257_100000032252 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.75 CC(C)CSC1COC(=O)O1 62a_100000210624_100000032252 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.75 CC(C)NCC1CNC(=O)C1 2230a_100016993742_100000210206 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.75 CC(C)NCC1CNC(=O)C1 34a_100016993742_100000210206 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.75 CC(C)NCC1CNC(=O)O1 2230a_100138425928_100000181169 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.75 CC(C)NCC1CNC(=O)O1 34a_100138425928_100000181169 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.75 CC(C)NCC1COC(=O)O1 34a_100138425928_100000073702 [0,1,0,0,0,0|2,0,0]=3 519 B11R1.75 CC(C)NC[C@@H]1CCC(=O)N1 2230a_100138425928_100015189358 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000210206 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100000210206 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.75 CC(C)NC[C@H]1COC(=O)N1 2230a_100138425928_100015307671 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.75 CC(C)NC[C@H]1COC(=O)N1 34a_100138425928_100015307671 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.75 CC(C)OCC1CCC(=O)N1 34a_100000737831_100000210206 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.75 CC(C)OCC1CNC(=O)C1 34a_100016041077_100000210206 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100000212225_100000181169 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100011315639_100000210206 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.75 CC(C)OCC1COC(=O)O1 34a_100000212225_100000073702 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.75 CC(C)OC[C@H]1COC(=O)N1 34a_100000212225_100015307671 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000181169_100000210206 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000210206_100000181169 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000073702_100000210206 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000210206_100000073702 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100000210206_100015189358 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000210206 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.75 CC(C)SC[C@H]1COC(=O)N1 62a_100000210206_100015307671 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.75 CC(C)SC[C@H]1COC(=O)N1 62a_100015307671_100000210206 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.75 CC(F)COC1COC(=O)O1 34a_100015925927_100000032252 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.75 CC(O)CCN1CNC(=O)C1 2230a_200000708111_100012276601 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.75 CC(O)CNC1CNC(=O)C1 2230a_100000697751_100011218427 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.75 CC(O)CNC1COC(=O)O1 34a_100000210904_100000032252 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.75 CC(O)COC1CCC(=O)C1 34a_100012614533_100011218427 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.75 CC(O)COC1CNC(=O)C1 34a_100000690082_100011218427 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.75 CC(O)CSC1COC(=O)O1 62a_100011218427_100000032252 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.75 CN(C)CCC1COS(=O)O1 269982a_100102631434_100009840081 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.75 C[C@@H](Cl)COC1COC(=O)O1 34a_100016084084_100000032252 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.75 C[C@@H](N)COC1COC(=O)O1 34a_100000737577_100000032252 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.75 C[C@@H](O)CNC1CNC(=O)C1 2230a_100000697751_100009817552 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.75 C[C@@H](O)COC1CCC(=O)C1 34a_100012614533_100009817552 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.75 C[C@@H](O)COC1CNC(=O)C1 34a_100000690082_100009817552 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.75 C[C@@H](O)CSC1COC(=O)O1 62a_100009817552_100000032252 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.75 O=C1CCC(C1)OCC(F)F 34a_100012614533_100011934356 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.75 O=C1OCC(O1)NCC(F)F 34a_100000765723_100000032252 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.75 O=C1OCC(O1)OCC(F)F 34a_100000743014_100000032252 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.75 O=C1OCC(O1)SCC(F)F 62a_100011934356_100000032252 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.213 CCCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210303 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.213 CCCNC1CCS(=O)(=O)C1 34a_100000683523_100000210303 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.213 CCCOC1CCS(=O)(=O)C1 34a_100000186101_100000210303 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.213 CCCOC1CCS(=O)(=O)C1 7a_100000186101_100000210303 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.213 CCNCC1CCS(=O)(=O)C1 2230a_100000737051_100000210202 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.213 CCNCC1CCS(=O)(=O)C1 34a_100000737051_100000210202 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.214 CCCCc1ccc(o1)C=O 271570a_100020621405_100000185145 [0,1,0,0,0,0|0,0,3]=4 563 B11R1.231 CCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210303 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.231 CCCNC1CC(=O)N(C1)C 34a_100000748898_100000210303 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_100000210303_200009893386 [0,1,0,0,0,0|1,0,2]=4 566 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210303 [0,1,0,0,0,0|1,0,2]=4 567 B11R1.231 CCOCC1CC(=O)N(C1)C 34a_100015185614_100000210202 [0,1,0,0,0,0|3,0,0]=4 568 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,0,1,0,0,0|1,0,2]=4 569 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,0,1,0,0,0|1,0,2]=4 570 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,0,1,0,0,0|1,0,2]=4 571 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,0,1,0,0,0|1,0,2]=4 572 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,0,1,0,0,0|3,0,0]=4 573 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,0,1,0,0,0|3,0,0]=4 574 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,0,1,0,0,0|3,0,0]=4 575 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,0,1,0,0,0|3,0,0]=4 576 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,0,1,0,0,0|3,0,0]=4 577 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,0,1,0,0,0|3,0,0]=4 578 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,0,1,0,0,0|3,0,0]=4 579 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,0,1,0,0,0|3,0,0]=4 580 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,0,1,0,0,0|3,0,0]=4 581 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,0,1,0,0,0|3,0,0]=4 582 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,0,1,0,0,0|3,0,0]=4 583 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,0,1,0,0,0|3,0,0]=4 584 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,0,1,0,0,0|3,0,0]=4 585 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,0,1,0,0,0|3,0,0]=4 586 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,0,1,0,0,0|3,0,0]=4 587 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,0,1,0,0,0|3,0,0]=4 588 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,0,1,0,0,0|3,0,0]=4 589 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,0,1,0,0,0|3,0,0]=4 590 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,0,1,0,0,0|3,0,0]=4 591 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,0,1,0,0,0|3,0,0]=4 592 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,0,1,0,0,0|1,0,2]=4 593 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,0,1,0,0,0|1,0,2]=4 594 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,0,1,0,0,0|1,0,2]=4 595 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,0,1,0,0,0|1,0,2]=4 596 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,0,1,0,0,0|2,0,1]=4 597 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,0,1,0,0,0|2,0,0]=3 598 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,0,1,0,0,0|2,0,0]=3 599 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,0,1,0,0,0|2,0,0]=3 600 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,0,1,0,0,0|3,0,0]=4 601 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,0,1,0,0,0|3,0,0]=4 602 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,0,1,0,0,0|3,0,0]=4 603 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,0,1,0,0,0|3,0,0]=4 604 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,0,1,0,0,0|3,0,0]=4 605 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,0,1,0,0,0|3,0,0]=4 606 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,0,1,0,0,0|3,0,0]=4 607 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,0,1,0,0,0|3,0,0]=4 608 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,0,1,0,0,0|3,0,0]=4 609 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,0,1,0,0,0|3,0,0]=4 610 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,0,1,0,0,0|3,0,0]=4 611 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,0,1,0,0,0|3,0,0]=4 612 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,0,1,0,0,0|3,0,0]=4 613 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,0,1,0,0,0|3,0,0]=4 614 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,0,1,0,0,0|3,0,0]=4 615 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,0,1,0,0,0|3,0,0]=4 616 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,0,1,0,0,0|3,0,0]=4 617 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,0,1,0,0,0|3,0,0]=4 618 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,0,1,0,0,0|3,0,0]=4 619 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,0,1,0,0,0|3,0,0]=4 620 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,0,1,0,0,0|3,0,0]=4 621 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,0,1,0,0,0|3,0,0]=4 622 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,0,1,0,0,0|3,0,0]=4 623 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,0,1,0,0,0|3,0,0]=4 624 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,0,1,0,0,0|3,0,0]=4 625 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,0,1,0,0,0|3,0,0]=4 626 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,0,1,0,0,0|3,0,0]=4 627 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,0,1,0,0,0|3,0,0]=4 628 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,0,1,0,0,0|3,0,0]=4 629 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,0,1,0,0,0|3,0,0]=4 630 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,0,1,0,0,0|3,0,0]=4 631 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,0,1,0,0,0|3,0,0]=4 632 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,0,1,0,0,0|3,0,0]=4 633 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,0,1,0,0,0|1,0,2]=4 634 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,0,1,0,0,0|1,0,2]=4 635 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,0,1,0,0,0|1,0,2]=4 636 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,0,1,0,0,0|1,0,2]=4 637 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,0,1,0,0,0|1,0,2]=4 638 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,0,1,0,0,0|1,0,2]=4 639 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,0,1,0,0,0|1,0,2]=4 640 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,0,1,0,0,0|1,0,2]=4 641 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,0,1,0,0,0|1,0,0]=2 642 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,0,1,0,0,0|1,0,0]=2 643 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,0,1,0,0,0|1,0,0]=2 644 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,0,1,0,0,0|3,0,0]=4 645 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,0,1,0,0,0|3,0,0]=4 646 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,0,1,0,0,0|3,0,0]=4 647 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,0,1,0,0,0|3,0,0]=4 648 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,0,1,0,0,0|3,0,0]=4 649 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,0,1,0,0,0|3,0,0]=4 650 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,0,1,0,0,0|2,0,0]=3 651 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,0,1,0,0,0|2,0,0]=3 652 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,0,1,0,0,0|2,0,0]=3 653 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,0,1,0,0,0|2,0,0]=3 654 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,0,1,0,0,0|2,0,0]=3 655 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,0,1,0,0,0|2,0,0]=3 656 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,0,1,0,0,0|1,0,0]=2 657 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,0,1,0,0,0|2,0,1]=4 658 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,0,1,0,0,0|2,0,1]=4 659 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,0,1,0,0,0|2,0,1]=4 660 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,0,1,0,0,0|2,0,1]=4 661 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,0,1,0,0,0|3,0,0]=4 662 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,0,1,0,0,0|2,0,0]=3 663 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,0,1,0,0,0|2,0,0]=3 664 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,0,1,0,0,0|2,0,0]=3 665 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,0,1,0,0,0|1,0,1]=3 666 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,0,1,0,0,0|2,0,1]=4 667 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,0,1,0,0,0|2,0,1]=4 668 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,0,1,0,0,0|2,0,1]=4 669 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,0,1,0,0,0|2,0,1]=4 670 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,0,1,0,0,0|2,0,1]=4 671 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,0,1,0,0,0|2,0,0]=3 672 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,0,1,0,0,0|2,0,0]=3 673 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,0,1,0,0,0|1,0,1]=3 674 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,0,1,0,0,0|1,0,1]=3 675 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,0,1,0,0,0|2,0,1]=4 676 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,0,1,0,0,0|2,0,1]=4 677 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,0,1,0,0,0|2,0,1]=4 678 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,0,1,0,0,0|2,0,1]=4 679 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,0,1,0,0,0|2,0,1]=4 680 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,0,1,0,0,0|2,0,0]=3 681 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,0,1,0,0,0|2,0,0]=3 682 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,0,1,0,0,0|2,0,0]=3 683 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,0,1,0,0,0|2,0,1]=4 684 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,0,1,0,0,0|2,0,1]=4 685 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,0,1,0,0,0|2,0,1]=4 686 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,0,1,0,0,0|2,0,0]=3 687 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,0,1,0,0,0|2,0,0]=3 688 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,0,1,0,0,0|2,0,0]=3 689 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,0,1,0,0,0|2,0,0]=3 690 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,0,1,0,0,0|2,0,0]=3 691 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,0,1,0,0,0|2,0,0]=3 692 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,0,1,0,0,0|2,0,0]=3 693 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,0,1,0,0,0|2,0,0]=3 694 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,0,1,0,0,0|2,0,0]=3 695 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,0,1,0,0,0|2,0,1]=4 696 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,0,1,0,0,0|2,0,1]=4 697 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,0,1,0,0,0|3,0,0]=4 698 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,0,1,0,0,0|2,0,0]=3 699 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,0,1,0,0,0|2,0,0]=3 700 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,0,1,0,0,0|2,0,0]=3 701 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,0,1,0,0,0|2,0,0]=3 702 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,0,1,0,0,0|2,0,1]=4 703 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,0,1,0,0,0|2,0,1]=4 704 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,0,1,0,0,0|3,0,0]=4 705 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,0,1,0,0,0|3,0,0]=4 706 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,0,1,0,0,0|2,0,0]=3 707 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,0,1,0,0,0|3,0,0]=4 708 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,0,1,0,0,0|3,0,0]=4 709 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,0,1,0,0,0|3,0,0]=4 710 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,0,1,0,0,0|2,0,0]=3 711 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,0,1,0,0,0|2,0,0]=3 712 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,0,1,0,0,0|2,0,0]=3 713 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,0,1,0,0,0|2,0,0]=3 714 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,0,1,0,0,0|2,0,1]=4 715 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,0,1,0,0,0|2,0,1]=4 716 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,0,1,0,0,0|3,0,0]=4 717 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,0,1,0,0,0|3,0,0]=4 718 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,0,1,0,0,0|3,0,0]=4 719 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,0,1,0,0,0|3,0,0]=4 720 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,0,1,0,0,0|3,0,0]=4 721 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,0,1,0,0,0|3,0,0]=4 722 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,0,1,0,0,0|3,0,0]=4 723 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,0,1,0,0,0|3,0,0]=4 724 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,0,1,0,0,0|2,0,0]=3 725 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,0,1,0,0,0|2,0,0]=3 726 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,0,1,0,0,0|2,0,0]=3 727 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,0,1,0,0,0|2,0,0]=3 728 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,0,1,0,0,0|2,0,1]=4 729 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,0,1,0,0,0|2,0,1]=4 730 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,0,1,0,0,0|3,0,0]=4 731 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,0,1,0,0,0|3,0,0]=4 732 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,0,1,0,0,0|3,0,0]=4 733 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,0,1,0,0,0|3,0,0]=4 734 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,0,1,0,0,0|3,0,0]=4 735 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,0,1,0,0,0|3,0,0]=4 736 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,0,1,0,0,0|3,0,0]=4 737 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,0,1,0,0,0|3,0,0]=4 738 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,0,1,0,0,0|3,0,0]=4 739 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,0,1,0,0,0|3,0,0]=4 740 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,0,1,0,0,0|3,0,0]=4 741 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,0,1,0,0,0|2,0,1]=4 742 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,0,1,0,0,0|2,0,0]=3 743 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,0,1,0,0,0|3,0,0]=4 744 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,0,1,0,0,0|3,0,0]=4 745 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,0,1,0,0,0|3,0,0]=4 746 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,0,1,0,0,0|2,0,0]=3 747 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,0,1,0,0,0|2,0,1]=4 748 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,0,1,0,0,0|2,0,0]=3 749 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,0,1,0,0,0|2,0,0]=3 750 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,0,1,0,0,0|2,0,0]=3 751 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,0,1,0,0,0|2,0,1]=4 752 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,0,1,0,0,0|2,0,1]=4 753 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,0,1,0,0,0|3,0,0]=4 754 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,0,1,0,0,0|3,0,0]=4 755 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,0,1,0,0,0|3,0,0]=4 756 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,0,1,0,0,0|3,0,0]=4 757 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,0,1,0,0,0|3,0,0]=4 758 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,0,1,0,0,0|3,0,0]=4 759 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,0,1,0,0,0|3,0,0]=4 760 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,0,1,0,0,0|3,0,0]=4 761 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,0,1,0,0,0|3,0,0]=4 762 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,0,1,0,0,0|3,0,0]=4 763 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,0,1,0,0,0|2,0,0]=3 764 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,0,1,0,0,0|2,0,1]=4 765 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,0,1,0,0,0|3,0,0]=4 766 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,0,1,0,0,0|3,0,0]=4 767 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,0,1,0,0,0|3,0,0]=4 768 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,0,1,0,0,0|3,0,0]=4 769 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,0,1,0,0,0|2,0,1]=4 770 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,0,1,0,0,0|3,0,0]=4 771 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,0,1,0,0,0|3,0,0]=4 772 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,0,1,0,0,0|2,0,1]=4 773 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,0,1,0,0,0|2,0,1]=4 774 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,0,1,0,0,0|3,0,0]=4 775 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,0,1,0,0,0|3,0,0]=4 776 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,0,1,0,0,0|3,0,0]=4 777 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,0,1,0,0,0|3,0,0]=4 778 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,0,1,0,0,0|3,0,0]=4 779 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,0,1,0,0,0|2,0,1]=4 780 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,0,1,0,0,0|2,0,1]=4 781 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,0,1,0,0,0|2,0,0]=3 782 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,0,1,0,0,0|2,0,0]=3 783 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,0,1,0,0,0|3,0,0]=4 784 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,0,1,0,0,0|3,0,0]=4 785 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,0,1,0,0,0|3,0,0]=4 786 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,0,1,0,0,0|3,0,0]=4 787 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,0,1,0,0,0|3,0,0]=4 788 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,0,1,0,0,0|3,0,0]=4 789 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,0,1,0,0,0|2,0,0]=3 790 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,0,1,0,0,0|3,0,0]=4 791 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,0,1,0,0,0|3,0,0]=4 792 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,0,1,0,0,0|3,0,0]=4 793 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,0,1,0,0,0|3,0,0]=4 794 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,0,1,0,0,0|3,0,0]=4 795 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,0,1,0,0,0|2,0,1]=4 796 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,0,1,0,0,0|3,0,0]=4 797 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,0,1,0,0,0|3,0,0]=4 798 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,0,1,0,0,0|2,0,1]=4 799 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,0,1,0,0,0|2,0,1]=4 800 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,0,1,0,0,0|2,0,1]=4 801 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,0,1,0,0,0|2,0,1]=4 802 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,0,1,0,0,0|2,0,1]=4 803 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,0,1,0,0,0|2,0,0]=3 804 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,0,1,0,0,0|2,0,0]=3 805 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,0,1,0,0,0|2,0,0]=3 806 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,0,1,0,0,0|3,0,0]=4 807 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,0,1,0,0,0|3,0,0]=4 808 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,0,1,0,0,0|3,0,0]=4 809 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,0,1,0,0,0|3,0,0]=4 810 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,0,1,0,0,0|3,0,0]=4 811 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,0,1,0,0,0|3,0,0]=4 812 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,0,1,0,0,0|3,0,0]=4 813 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,0,1,0,0,0|3,0,0]=4 814 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,0,1,0,0,0|2,0,1]=4 815 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,0,1,0,0,0|2,0,1]=4 816 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,0,1,0,0,0|2,0,0]=3 817 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,0,1,0,0,0|2,0,0]=3 818 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,0,1,0,0,0|2,0,0]=3 819 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,0,1,0,0,0|2,0,0]=3 820 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,0,1,0,0,0|2,0,0]=3 821 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,0,1,0,0,0|1,0,1]=3 822 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,0,1,0,0,0|3,0,0]=4 823 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,0,1,0,0,0|3,0,0]=4 824 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,0,1,0,0,0|3,0,0]=4 825 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,0,1,0,0,0|3,0,0]=4 826 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,0,1,0,0,0|3,0,0]=4 827 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,0,1,0,0,0|3,0,0]=4 828 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,0,1,0,0,0|2,0,0]=3 829 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,0,1,0,0,0|2,0,1]=4 830 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,0,1,0,0,0|3,0,0]=4 831 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,0,1,0,0,0|3,0,0]=4 832 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,0,1,0,0,0|2,0,1]=4 833 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,0,1,0,0,0|3,0,0]=4 834 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,0,1,0,0,0|3,0,0]=4 835 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,0,1,0,0,0|2,0,1]=4 836 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,0,1,0,0,0|2,0,1]=4 837 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,0,1,0,0,0|3,0,0]=4 838 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,0,1,0,0,0|3,0,0]=4 839 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,0,1,0,0,0|3,0,0]=4 840 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,0,1,0,0,0|3,0,0]=4 841 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,0,1,0,0,0|3,0,0]=4 842 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,0,1,0,0,0|3,0,0]=4 843 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,0,1,0,0,0|3,0,0]=4 844 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,0,1,0,0,0|3,0,0]=4 845 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,0,1,0,0,0|3,0,0]=4 846 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,0,1,0,0,0|3,0,0]=4 847 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,0,1,0,0,0|3,0,0]=4 848 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,0,1,0,0,0|3,0,0]=4 849 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,0,1,0,0,0|3,0,0]=4 850 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,0,1,0,0,0|3,0,0]=4 851 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,0,1,0,0,0|3,0,0]=4 852 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,0,1,0,0,0|3,0,0]=4 853 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,0,1,0,0,0|3,0,0]=4 854 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,0,1,0,0,0|3,0,0]=4 855 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,0,1,0,0,0|2,0,1]=4 856 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,0,1,0,0,0|2,0,1]=4 857 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,0,1,0,0,0|2,0,0]=3 858 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,0,1,0,0,0|2,0,0]=3 859 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,0,1,0,0,0|3,0,0]=4 860 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,0,1,0,0,0|3,0,0]=4 861 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,0,1,0,0,0|3,0,0]=4 862 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,0,1,0,0,0|3,0,0]=4 863 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,0,1,0,0,0|3,0,0]=4 864 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,0,1,0,0,0|3,0,0]=4 865 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,0,1,0,0,0|3,0,0]=4 866 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,0,1,0,0,0|2,0,1]=4 867 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,0,1,0,0,0|3,0,0]=4 868 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,0,1,0,0,0|3,0,0]=4 869 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,0,1,0,0,0|3,0,0]=4 870 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,0,1,0,0,0|3,0,0]=4 871 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,0,1,0,0,0|3,0,0]=4 872 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,0,1,0,0,0|3,0,0]=4 873 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,0,1,0,0,0|3,0,0]=4 874 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,0,1,0,0,0|3,0,0]=4 875 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,0,1,0,0,0|3,0,0]=4 876 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,0,1,0,0,0|3,0,0]=4 877 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,0,1,0,0,0|3,0,0]=4 878 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,0,1,0,0,0|3,0,0]=4 879 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,0,1,0,0,0|3,0,0]=4 880 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,0,1,0,0,0|3,0,0]=4 881 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,0,1,0,0,0|3,0,0]=4 882 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,0,1,0,0,0|3,0,0]=4 883 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,0,1,0,0,0|3,0,0]=4 884 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,0,1,0,0,0|3,0,0]=4 885 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,0,1,0,0,0|3,0,0]=4 886 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,0,1,0,0,0|2,0,1]=4 887 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,0,1,0,0,0|3,0,0]=4 888 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,0,1,0,0,0|3,0,0]=4 889 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,0,1,0,0,0|3,0,0]=4 890 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,0,1,0,0,0|3,0,0]=4 891 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,0,1,0,0,0|3,0,0]=4 892 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,0,1,0,0,0|3,0,0]=4 893 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,0,1,0,0,0|3,0,0]=4 894 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,0,1,0,0,0|3,0,0]=4 895 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,0,1,0,0,0|3,0,0]=4 896 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,0,1,0,0,0|3,0,0]=4 897 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,0,1,0,0,0|3,0,0]=4 898 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,0,1,0,0,0|3,0,0]=4 899 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,0,1,0,0,0|3,0,0]=4 900 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,0,1,0,0,0|3,0,0]=4 901 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,0,1,0,0,0|3,0,0]=4 902 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,0,1,0,0,0|3,0,0]=4 903 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,0,1,0,0,0|3,0,0]=4 904 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,0,1,0,0,0|3,0,0]=4 905 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,0,1,0,0,0|3,0,0]=4 906 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,0,1,0,0,0|3,0,0]=4 907 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,0,1,0,0,0|3,0,0]=4 908 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,0,1,0,0,0|3,0,0]=4 909 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,0,1,0,0,0|3,0,0]=4 910 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,0,1,0,0,0|3,0,0]=4 911 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,0,1,0,0,0|3,0,0]=4 912 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,0,1,0,0,0|3,0,0]=4 913 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,0,1,0,0,0|3,0,0]=4 914 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,0,1,0,0,0|3,0,0]=4 915 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,0,1,0,0,0|3,0,0]=4 916 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,0,1,0,0,0|3,0,0]=4 917 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,0,1,0,0,0|3,0,0]=4 918 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,0,1,0,0,0|3,0,0]=4 919 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,0,1,0,0,0|3,0,0]=4 920 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,0,1,0,0,0|3,0,0]=4 921 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,0,1,0,0,0|3,0,0]=4 922 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,0,1,0,0,0|3,0,0]=4 923 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,0,1,0,0,0|3,0,0]=4 924 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,0,1,0,0,0|3,0,0]=4 925 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,0,1,0,0,0|3,0,0]=4 926 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,0,1,0,0,0|3,0,0]=4 927 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,0,1,0,0,0|2,0,1]=4 928 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,0,1,0,0,0|3,0,0]=4 929 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,0,1,0,0,0|3,0,0]=4 930 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,0,1,0,0,0|2,0,0]=3 931 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,0,1,0,0,0|2,0,0]=3 932 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,0,1,0,0,0|3,0,0]=4 933 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,0,1,0,0,0|3,0,0]=4 934 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,0,1,0,0,0|3,0,0]=4 935 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,0,1,0,0,0|2,0,1]=4 936 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,0,1,0,0,0|2,0,1]=4 937 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,0,1,0,0,0|2,0,1]=4 938 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,0,1,0,0,0|2,0,1]=4 939 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,0,1,0,0,0|2,0,1]=4 940 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,0,1,0,0,0|2,0,1]=4 941 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,0,1,0,0,0|2,0,1]=4 942 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,0,1,0,0,0|2,0,1]=4 943 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,0,1,0,0,0|2,0,1]=4 944 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,0,1,0,0,0|2,0,1]=4 945 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,0,1,0,0,0|2,0,0]=3 946 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,0,1,0,0,0|2,0,0]=3 947 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,0,1,0,0,0|2,0,0]=3 948 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,0,1,0,0,0|1,0,1]=3 949 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,0,1,0,0,0|2,0,1]=4 950 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,0,1,0,0,0|2,0,1]=4 951 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,0,1,0,0,0|2,0,0]=3 952 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,0,1,0,0,0|2,0,0]=3 953 B9R0.4 C#CCSC(C)OC(=O)C 62a_100000038162_100009818208 [0,0,1,0,0,0|1,0,2]=4 954 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [0,0,1,0,0,0|3,0,0]=4 955 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [0,0,1,0,0,0|3,0,0]=4 956 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [0,0,1,0,0,0|3,0,0]=4 957 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [0,0,1,0,0,0|3,0,0]=4 958 B9R0.4 C=CCSC(C)OC(=O)C 62a_100000210623_100009818208 [0,0,1,0,0,0|1,0,2]=4 959 B9R0.4 C=CCSC(C)OC(=O)C 62a_100009818208_100000210623 [0,0,1,0,0,0|1,0,2]=4 960 B9R0.4 CC(=O)OC(C)SCC#N 62a_100009818208_100011215382 [0,0,1,0,0,0|2,0,1]=4 961 B9R0.4 CC(=O)OC(C)SCC#N 62a_100011215382_100009818208 [0,0,1,0,0,0|2,0,1]=4 962 B9R0.4 CC(=O)OC(C)SCC=O 62a_100009818208_200015260668 [0,0,1,0,0,0|2,0,1]=4 963 B9R0.4 CC(=O)OC(C)SCC=O 62a_200015260668_100009818208 [0,0,1,0,0,0|2,0,1]=4 964 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [0,0,1,0,0,0|2,0,0]=3 965 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [0,0,1,0,0,0|2,0,0]=3 966 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,0,1,0,0,0|2,0,0]=3 967 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,0,1,0,0,0|2,0,0]=3 968 B9R0.4 CC(C)OC(C)CCCCl 34a_200000718107_100000210206 [0,0,1,0,0,0|2,0,1]=4 969 B9R0.4 CC(C)OC(C)CCCCl 7a_200000718107_100000210206 [0,0,1,0,0,0|2,0,1]=4 970 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,0,1,0,0,0|1,0,0]=2 971 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,0,1,0,0,0|1,0,0]=2 972 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,0,1,0,0,0|1,0,0]=2 973 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,0,1,0,0,0|1,0,0]=2 974 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [0,0,1,0,0,0|2,0,1]=4 975 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [0,0,1,0,0,0|2,0,1]=4 976 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [0,0,1,0,0,0|2,0,1]=4 977 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,0,1,0,0,0|1,0,1]=3 978 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,0,1,0,0,0|1,0,1]=3 979 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,0,1,0,0,0|1,0,1]=3 980 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [0,0,1,0,0,0|1,1,1]=4 981 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [0,0,1,0,0,0|1,1,1]=4 982 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,0,1,0,0,0|3,0,0]=4 983 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,0,1,0,0,0|3,0,0]=4 984 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,0,1,0,0,0|3,0,0]=4 985 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,0,1,0,0,0|3,0,0]=4 986 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,0,1,0,0,0|3,0,0]=4 987 B9R0.4 CCCOC(C)C=C(C)C 34a_100000717055_100000210303 [0,0,1,0,0,0|3,0,0]=4 988 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,0,1,0,0,0|1,0,0]=2 989 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,0,1,0,0,0|1,0,0]=2 990 B9R0.4 CCOCC(C)OC(C)C 34a_100000718985_100000210206 [0,0,1,0,0,0|2,0,1]=4 991 B9R0.4 CCOCC(C)OC(C)C 7a_100000718985_100000210206 [0,0,1,0,0,0|2,0,1]=4 992 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,0,1,0,0,0|2,0,0]=3 993 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,0,1,0,0,0|2,0,0]=3 994 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [0,0,1,0,0,0|2,0,0]=3 995 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [0,0,1,0,0,0|2,0,0]=3 996 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [0,0,1,0,0,0|1,0,2]=4 997 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [0,0,1,0,0,0|1,0,2]=4 998 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [0,0,1,0,0,0|3,0,0]=4 999 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [0,0,1,0,0,0|3,0,0]=4 1000 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [0,0,1,0,0,0|3,0,0]=4 1001 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [0,0,1,0,0,0|3,0,0]=4 1002 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [0,0,1,0,0,0|3,0,0]=4 1003 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [0,0,1,0,0,0|3,0,0]=4 1004 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [0,0,1,0,0,0|3,0,0]=4 1005 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [0,0,1,0,0,0|3,0,0]=4 1006 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [0,0,1,0,0,0|3,0,0]=4 1007 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [0,0,1,0,0,0|3,0,0]=4 1008 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [0,0,1,0,0,0|3,0,0]=4 1009 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [0,0,1,0,0,0|3,0,0]=4 1010 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [0,0,1,0,0,0|3,0,0]=4 1011 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [0,0,1,0,0,0|3,0,0]=4 1012 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [0,0,1,0,0,0|3,0,0]=4 1013 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [0,0,1,0,0,0|3,0,0]=4 1014 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [0,0,1,0,0,0|3,0,0]=4 1015 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [0,0,1,0,0,0|2,0,0]=3 1016 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [0,0,1,0,0,0|2,0,0]=3 1017 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [0,0,1,0,0,0|2,0,0]=3 1018 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [0,0,1,0,0,0|2,0,0]=3 1019 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [0,0,1,0,0,0|2,0,0]=3 1020 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [0,0,1,0,0,0|3,0,0]=4 1021 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [0,0,1,0,0,0|3,0,0]=4 1022 B9R0.40 C=CCC(CCCC)OC 34a_200011216941_200000210301 [0,0,1,0,0,0|3,0,0]=4 1023 B9R0.40 C=CCC(CCCC)OC 7a_200011216941_200000210301 [0,0,1,0,0,0|3,0,0]=4 1024 B9R0.40 C=CCC(CCCC)O[13CH3] 34a_200011216941_200025704644 [0,0,1,0,0,0|3,0,0]=4 1025 B9R0.40 C=CCC(CCCC)O[13CH3] 7a_200011216941_200025704644 [0,0,1,0,0,0|3,0,0]=4 1026 B9R0.40 C=CCN(CC)CCCC 2230a_100000207695_100000210623 [0,0,1,0,0,0|3,0,0]=4 1027 B9R0.40 C=CCN(CC)CCCC 269982a_100000207695_100000210623 [0,0,1,0,0,0|3,0,0]=4 1028 B9R0.40 CCCCC(CC)CNC 2230a_100000209976_200000210301 [0,0,1,0,0,0|3,0,0]=4 1029 B9R0.40 CCCCC(CC)CNC 2230a_106832991635_100000211942 [0,0,1,0,0,0|3,0,0]=4 1030 B9R0.40 CCCCC(CC)CNC 269862a_106832991636_100011219736 [0,0,1,0,0,0|3,0,0]=4 1031 B9R0.40 CCCCC(CC)CNC 270004a_106832991635_100011219736 [0,0,1,0,0,0|3,0,0]=4 1032 B9R0.40 CCCCC(CC)CNC 34a_100102657272_100000211942 [0,0,1,0,0,0|3,0,0]=4 1033 B9R0.40 CCCCC(CC)CNC 7a_106832991635_100000211942 [0,0,1,0,0,0|3,0,0]=4 1034 B9R0.40 CCCCC(CC)CN[13CH3] 2230a_100000209976_200025704644 [0,0,1,0,0,0|3,0,0]=4 1035 B9R0.40 CCCCC(CC)COC 34a_100000210273_200000210301 [0,0,1,0,0,0|3,0,0]=4 1036 B9R0.40 CCCCC(CC)COC 34a_100138415774_100000211942 [0,0,1,0,0,0|3,0,0]=4 1037 B9R0.40 CCCCC(CC)COC 7a_100000210273_200000210301 [0,0,1,0,0,0|3,0,0]=4 1038 B9R0.40 CCCCC(CC)CO[13CH3] 34a_100000210273_200025704644 [0,0,1,0,0,0|3,0,0]=4 1039 B9R0.40 CCCCC(CC)CO[13CH3] 7a_100000210273_200025704644 [0,0,1,0,0,0|3,0,0]=4 1040 B9R0.40 CCCCC(CC)CSC 62a_100000211942_200000210301 [0,0,1,0,0,0|3,0,0]=4 1041 B9R0.40 CCCCC(CC)CSC 62a_200000210301_100000211942 [0,0,1,0,0,0|3,0,0]=4 1042 B9R0.40 CCCCC(CC)CS[13CH3] 62a_100000211942_200025704644 [0,0,1,0,0,0|3,0,0]=4 1043 B9R0.40 CCCCC(CC)CS[13CH3] 62a_200025704644_100000211942 [0,0,1,0,0,0|3,0,0]=4 1044 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [0,0,1,0,0,0|2,0,1]=4 1045 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [0,0,1,0,0,0|1,0,1]=3 1046 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [0,0,1,0,0,0|1,0,1]=3 1047 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [0,0,1,0,0,0|1,0,1]=3 1048 B9R0.40 CCCCC(CC)OCF 34a_100011215227_100015361967 [0,0,1,0,0,0|1,0,1]=3 1049 B9R0.40 CCCCC(CC)OCF 7a_100011215227_100015361967 [0,0,1,0,0,0|1,0,1]=3 1050 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [0,0,1,0,0,0|1,1,1]=4 1051 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [0,0,1,0,0,0|1,1,1]=4 1052 B9R0.40 CCCCC(CC)SCF 62a_100015361967_200011216223 [0,0,1,0,0,0|1,1,1]=4 1053 B9R0.40 CCCCC(CC)SCF 62a_200011216223_100015361967 [0,0,1,0,0,0|1,1,1]=4 1054 B9R0.40 CCCCN(CC)CC=O 2230a_100000207695_200015260668 [0,0,1,0,0,0|2,0,0]=3 1055 B9R0.40 CCCCN(CC)CC=O 269982a_100000207695_200015260668 [0,0,1,0,0,0|2,0,0]=3 1056 B9R0.40 CCN(CC=O)CCOC 2230a_100000731262_200015260668 [0,0,1,0,0,0|3,0,0]=4 1057 B9R0.40 CCN(CC=O)CCOC 269982a_100000731262_200015260668 [0,0,1,0,0,0|3,0,0]=4 1058 B9R0.40 CCNCC(CC)OCC 2230a_100015183923_100000210202 [0,0,1,0,0,0|2,0,1]=4 1059 B9R0.40 CCNCC(CC)OCC 34a_100015183923_100000210202 [0,0,1,0,0,0|2,0,1]=4 1060 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,0,1,0,0,0|1,0,2]=4 1061 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,0,1,0,0,0|1,0,2]=4 1062 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,0,1,0,0,0|1,0,2]=4 1063 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,0,1,0,0,0|1,0,2]=4 1064 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,0,1,0,0,0|1,0,2]=4 1065 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,0,1,0,0,0|1,0,2]=4 1066 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,0,1,0,0,0|1,0,2]=4 1067 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,0,1,0,0,0|1,0,2]=4 1068 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,0,1,0,0,0|1,0,2]=4 1069 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,0,1,0,0,0|1,0,2]=4 1070 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,0,1,0,0,0|1,0,2]=4 1071 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,0,1,0,0,0|1,0,2]=4 1072 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,0,1,0,0,0|1,0,2]=4 1073 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,0,1,0,0,0|1,0,2]=4 1074 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,0,1,0,0,0|1,0,2]=4 1075 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,0,1,0,0,0|1,0,2]=4 1076 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,0,1,0,0,0|1,0,2]=4 1077 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,0,1,0,0,0|1,0,2]=4 1078 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,0,1,0,0,0|1,0,2]=4 1079 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,0,1,0,0,0|1,0,2]=4 1080 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,0,1,0,0,0|1,0,2]=4 1081 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,0,1,0,0,0|2,0,1]=4 1082 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,0,1,0,0,0|2,0,0]=3 1083 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,0,1,0,0,0|2,0,0]=3 1084 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,0,1,0,0,0|2,0,0]=3 1085 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,0,1,0,0,0|2,0,0]=3 1086 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,0,1,0,0,0|3,0,0]=4 1087 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,0,1,0,0,0|3,0,0]=4 1088 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,0,1,0,0,0|3,0,0]=4 1089 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,0,1,0,0,0|3,0,0]=4 1090 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,0,1,0,0,0|3,0,0]=4 1091 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,0,1,0,0,0|3,0,0]=4 1092 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,0,1,0,0,0|3,0,0]=4 1093 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,0,1,0,0,0|3,0,0]=4 1094 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,0,1,0,0,0|3,0,0]=4 1095 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,0,1,0,0,0|3,0,0]=4 1096 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,0,1,0,0,0|3,0,0]=4 1097 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,0,1,0,0,0|3,0,0]=4 1098 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,0,1,0,0,0|3,0,0]=4 1099 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,0,1,0,0,0|3,0,0]=4 1100 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,0,1,0,0,0|3,0,0]=4 1101 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,0,1,0,0,0|3,0,0]=4 1102 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,0,1,0,0,0|2,0,0]=3 1103 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,0,1,0,0,0|2,0,0]=3 1104 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,0,1,0,0,0|2,0,0]=3 1105 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,0,1,0,0,0|2,0,0]=3 1106 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,0,1,0,0,0|2,0,0]=3 1107 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,0,1,0,0,0|2,0,0]=3 1108 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,0,1,0,0,0|2,0,0]=3 1109 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,0,1,0,0,0|2,0,0]=3 1110 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,0,1,0,0,0|2,0,0]=3 1111 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,0,1,0,0,0|3,0,0]=4 1112 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,0,1,0,0,0|3,0,0]=4 1113 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,0,1,0,0,0|3,0,0]=4 1114 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,0,1,0,0,0|3,0,0]=4 1115 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,0,1,0,0,0|2,0,0]=3 1116 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,0,1,0,0,0|2,0,1]=4 1117 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,0,1,0,0,0|2,0,1]=4 1118 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,0,1,0,0,0|2,0,1]=4 1119 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,0,1,0,0,0|2,0,1]=4 1120 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,0,1,0,0,0|2,0,1]=4 1121 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,0,1,0,0,0|2,0,1]=4 1122 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,0,1,0,0,0|2,0,1]=4 1123 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,0,1,0,0,0|2,0,1]=4 1124 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,0,1,0,0,0|2,0,1]=4 1125 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,0,1,0,0,0|2,0,1]=4 1126 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,0,1,0,0,0|2,0,1]=4 1127 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,0,1,0,0,0|2,0,1]=4 1128 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,0,1,0,0,0|2,0,1]=4 1129 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,0,1,0,0,0|2,0,1]=4 1130 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,0,1,0,0,0|1,0,2]=4 1131 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,0,1,0,0,0|2,0,1]=4 1132 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,0,1,0,0,0|1,0,1]=3 1133 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,0,1,0,0,0|2,0,1]=4 1134 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,0,1,0,0,0|2,0,1]=4 1135 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,0,1,0,0,0|2,0,1]=4 1136 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,0,1,0,0,0|2,0,1]=4 1137 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,0,1,0,0,0|1,0,0]=2 1138 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,0,1,0,0,0|1,0,0]=2 1139 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,0,1,0,0,0|2,0,0]=3 1140 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,0,1,0,0,0|2,0,0]=3 1141 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,0,1,0,0,0|2,0,0]=3 1142 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,0,1,0,0,0|2,0,0]=3 1143 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,0,1,0,0,0|2,0,0]=3 1144 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,0,1,0,0,0|2,0,0]=3 1145 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,0,1,0,0,0|3,0,0]=4 1146 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,0,1,0,0,0|3,0,0]=4 1147 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,0,1,0,0,0|3,0,0]=4 1148 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,0,1,0,0,0|3,0,0]=4 1149 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,0,1,0,0,0|1,0,0]=2 1150 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,0,1,0,0,0|1,0,0]=2 1151 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,0,1,0,0,0|1,0,0]=2 1152 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,0,1,0,0,0|1,0,0]=2 1153 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,0,1,0,0,0|2,0,0]=3 1154 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,0,1,0,0,0|2,0,0]=3 1155 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,0,1,0,0,0|2,0,0]=3 1156 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,0,1,0,0,0|2,0,0]=3 1157 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,0,1,0,0,0|2,0,0]=3 1158 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,0,1,0,0,0|2,0,0]=3 1159 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,0,1,0,0,0|2,0,0]=3 1160 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,0,1,0,0,0|2,0,0]=3 1161 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,0,1,0,0,0|2,0,1]=4 1162 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,0,1,0,0,0|2,0,1]=4 1163 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,0,1,0,0,0|1,0,1]=3 1164 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,0,1,0,0,0|1,0,1]=3 1165 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,0,1,0,0,0|1,0,1]=3 1166 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,0,1,0,0,0|2,0,1]=4 1167 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,0,1,0,0,0|2,0,1]=4 1168 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,0,1,0,0,0|2,0,1]=4 1169 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,0,1,0,0,0|2,0,1]=4 1170 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,0,1,0,0,0|2,0,1]=4 1171 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,0,1,0,0,0|1,1,1]=4 1172 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,0,1,0,0,0|1,1,1]=4 1173 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,0,1,0,0,0|2,0,0]=3 1174 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,0,1,0,0,0|3,0,0]=4 1175 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,0,1,0,0,0|3,0,0]=4 1176 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,0,1,0,0,0|3,0,0]=4 1177 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,0,1,0,0,0|3,0,0]=4 1178 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,0,1,0,0,0|3,0,0]=4 1179 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,0,1,0,0,0|2,0,0]=3 1180 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,0,1,0,0,0|3,0,0]=4 1181 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,0,1,0,0,0|3,0,0]=4 1182 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,0,1,0,0,0|3,0,0]=4 1183 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,0,1,0,0,0|3,0,0]=4 1184 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,0,1,0,0,0|2,0,0]=3 1185 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,0,1,0,0,0|2,0,0]=3 1186 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,0,1,0,0,0|2,0,0]=3 1187 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,0,1,0,0,0|2,0,0]=3 1188 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,0,1,0,0,0|3,0,0]=4 1189 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,0,1,0,0,0|3,0,0]=4 1190 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,0,1,0,0,0|3,0,0]=4 1191 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,0,1,0,0,0|3,0,0]=4 1192 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,0,1,0,0,0|3,0,0]=4 1193 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,0,1,0,0,0|3,0,0]=4 1194 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,0,1,0,0,0|3,0,0]=4 1195 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,0,1,0,0,0|3,0,0]=4 1196 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,0,1,0,0,0|3,0,0]=4 1197 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,0,1,0,0,0|3,0,0]=4 1198 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,0,1,0,0,0|3,0,0]=4 1199 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,0,1,0,0,0|2,0,0]=3 1200 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,0,1,0,0,0|2,0,0]=3 1201 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,0,1,0,0,0|2,0,0]=3 1202 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,0,1,0,0,0|3,0,0]=4 1203 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,0,1,0,0,0|3,0,0]=4 1204 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,0,1,0,0,0|3,0,0]=4 1205 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,0,1,0,0,0|3,0,0]=4 1206 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,0,1,0,0,0|3,0,0]=4 1207 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,0,1,0,0,0|3,0,0]=4 1208 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,0,1,0,0,0|3,0,0]=4 1209 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,0,1,0,0,0|3,0,0]=4 1210 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,0,1,0,0,0|3,0,0]=4 1211 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,0,1,0,0,0|3,0,0]=4 1212 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,0,1,0,0,0|3,0,0]=4 1213 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,0,1,0,0,0|2,0,0]=3 1214 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,0,1,0,0,0|3,0,0]=4 1215 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,0,1,0,0,0|3,0,0]=4 1216 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,0,1,0,0,0|3,0,0]=4 1217 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,0,1,0,0,0|3,0,0]=4 1218 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,0,1,0,0,0|3,0,0]=4 1219 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,0,1,0,0,0|3,0,0]=4 1220 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,0,1,0,0,0|3,0,0]=4 1221 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,0,1,0,0,0|3,0,0]=4 1222 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,0,1,0,0,0|2,0,0]=3 1223 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,0,1,0,0,0|3,0,0]=4 1224 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,0,1,0,0,0|3,0,0]=4 1225 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,0,1,0,0,0|3,0,0]=4 1226 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,0,1,0,0,0|3,0,0]=4 1227 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,0,1,0,0,0|2,0,0]=3 1228 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,0,1,0,0,0|3,0,0]=4 1229 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,0,1,0,0,0|2,0,0]=3 1230 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,0,1,0,0,0|3,0,0]=4 1231 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,0,1,0,0,0|3,0,0]=4 1232 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,0,1,0,0,0|3,0,0]=4 1233 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,0,1,0,0,0|2,0,0]=3 1234 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,0,1,0,0,0|2,0,0]=3 1235 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,0,1,0,0,0|2,0,0]=3 1236 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,0,1,0,0,0|2,0,0]=3 1237 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,0,1,0,0,0|2,0,0]=3 1238 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,0,1,0,0,0|2,0,0]=3 1239 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,0,1,0,0,0|3,0,0]=4 1240 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,0,1,0,0,0|3,0,0]=4 1241 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,0,1,0,0,0|3,0,0]=4 1242 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,0,1,0,0,0|3,0,0]=4 1243 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,0,1,0,0,0|3,0,0]=4 1244 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,0,1,0,0,0|3,0,0]=4 1245 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,0,1,0,0,0|3,0,0]=4 1246 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,0,1,0,0,0|3,0,0]=4 1247 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,0,1,0,0,0|3,0,0]=4 1248 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,0,1,0,0,0|1,0,0]=2 1249 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,0,1,0,0,0|2,0,0]=3 1250 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,0,1,0,0,0|2,0,0]=3 1251 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,0,1,0,0,0|2,0,1]=4 1252 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,0,1,0,0,0|2,0,1]=4 1253 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,0,1,0,0,0|2,0,1]=4 1254 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,0,1,0,0,0|3,0,0]=4 1255 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,0,1,0,0,0|3,0,0]=4 1256 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,0,1,0,0,0|3,0,0]=4 1257 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,0,1,0,0,0|3,0,0]=4 1258 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,0,1,0,0,0|3,0,0]=4 1259 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,0,1,0,0,0|3,0,0]=4 1260 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,0,1,0,0,0|2,0,0]=3 1261 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,0,1,0,0,0|2,0,0]=3 1262 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,0,1,0,0,0|2,0,0]=3 1263 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,0,1,0,0,0|2,0,0]=3 1264 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,0,1,0,0,0|3,0,0]=4 1265 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,0,1,0,0,0|3,0,0]=4 1266 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,0,1,0,0,0|3,0,0]=4 1267 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,0,1,0,0,0|3,0,0]=4 1268 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,0,1,0,0,0|3,0,0]=4 1269 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,0,1,0,0,0|3,0,0]=4 1270 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,0,1,0,0,0|3,0,0]=4 1271 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,0,1,0,0,0|3,0,0]=4 1272 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,0,1,0,0,0|2,0,0]=3 1273 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,0,1,0,0,0|2,0,0]=3 1274 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [0,0,1,0,0,0|2,0,1]=4 1275 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [0,0,1,0,0,0|2,0,1]=4 1276 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [0,0,1,0,0,0|2,0,1]=4 1277 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,0,1,0,0,0|3,0,0]=4 1278 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,0,1,0,0,0|3,0,0]=4 1279 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,0,1,0,0,0|3,0,0]=4 1280 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,0,1,0,0,0|3,0,0]=4 1281 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,0,1,0,0,0|3,0,0]=4 1282 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,0,1,0,0,0|3,0,0]=4 1283 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,0,1,0,0,0|3,0,0]=4 1284 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,0,1,0,0,0|3,0,0]=4 1285 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,0,1,0,0,0|3,0,0]=4 1286 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,0,1,0,0,0|3,0,0]=4 1287 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,0,1,0,0,0|3,0,0]=4 1288 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,0,1,0,0,0|3,0,0]=4 1289 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,0,1,0,0,0|3,0,0]=4 1290 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,0,1,0,0,0|3,0,0]=4 1291 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,0,1,0,0,0|3,0,0]=4 1292 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,0,1,0,0,0|3,0,0]=4 1293 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,0,1,0,0,0|3,0,0]=4 1294 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,0,1,0,0,0|3,0,0]=4 1295 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,0,1,0,0,0|3,0,0]=4 1296 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,0,1,0,0,0|3,0,0]=4 1297 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,0,1,0,0,0|3,0,0]=4 1298 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,0,1,0,0,0|3,0,0]=4 1299 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,0,1,0,0,0|3,0,0]=4 1300 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,0,1,0,0,0|3,0,0]=4 1301 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,0,1,0,0,0|3,0,0]=4 1302 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,0,1,0,0,0|3,0,0]=4 1303 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,0,1,0,0,0|3,0,0]=4 1304 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,0,1,0,0,0|3,0,0]=4 1305 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,0,1,0,0,0|3,0,0]=4 1306 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,0,1,0,0,0|3,0,0]=4 1307 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,0,1,0,0,0|3,0,0]=4 1308 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,0,1,0,0,0|3,0,0]=4 1309 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,0,1,0,0,0|3,0,0]=4 1310 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,0,1,0,0,0|3,0,0]=4 1311 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,0,1,0,0,0|3,0,0]=4 1312 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,0,1,0,0,0|3,0,0]=4 1313 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,0,1,0,0,0|3,0,0]=4 1314 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,0,1,0,0,0|3,0,0]=4 1315 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,0,1,0,0,0|3,0,0]=4 1316 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,0,1,0,0,0|3,0,0]=4 1317 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,0,1,0,0,0|3,0,0]=4 1318 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,0,1,0,0,0|3,0,0]=4 1319 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,0,1,0,0,0|3,0,0]=4 1320 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,0,1,0,0,0|3,0,0]=4 1321 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,0,1,0,0,0|3,0,0]=4 1322 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,0,1,0,0,0|3,0,0]=4 1323 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,0,1,0,0,0|3,0,0]=4 1324 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200000210301 [0,0,0,1,0,0|3,0,0]=4 1325 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200000210301 [0,0,0,1,0,0|3,0,0]=4 1326 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200000210301 [0,0,0,1,0,0|3,0,0]=4 1327 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200025704644 [0,0,0,1,0,0|3,0,0]=4 1328 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200025704644 [0,0,0,1,0,0|3,0,0]=4 1329 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200025704644 [0,0,0,1,0,0|3,0,0]=4 1330 B11R2.16 CCN1CC2CCC(C1)O2 2230a_100015188616_100000210202 [0,0,0,1,0,0|2,0,1]=4 1331 B11R2.16 CCN1CC2CCC(C1)O2 269982a_100015188616_100000204670 [0,0,0,1,0,0|2,0,1]=4 1332 B11R2.16 CCN1CC2CCC(C1)O2 34a_100015188616_100000210202 [0,0,0,1,0,0|2,0,1]=4 1333 B11R2.16 CNC1CC2CCC(C1)O2 270004a_106832991635_100010474450 [0,0,0,1,0,0|2,0,1]=4 1334 B11R2.351 O=C1CC(CN1)OC2CC2 34a_100000690082_100000211595 [0,0,0,1,0,0|3,0,0]=4 1335 B11R2.351 O=C1CCC(C1)OC2CC2 34a_100012614533_100000211595 [0,0,0,1,0,0|2,0,0]=3 1336 B11R2.351 O=C1CN(CN1)CC2CC2 2230a_200000708111_100000742324 [0,0,0,1,0,0|3,0,0]=4 1337 B11R2.351 O=C1OCC(O1)NC2CC2 34a_100000212008_100000032252 [0,0,0,1,0,0|2,0,0]=3 1338 B11R2.748 CN1CCC2(C1)CCCC2 2230a_100000764703_200000210301 [0,0,0,1,0,0|3,0,0]=4 1339 B11R2.748 CN1CCC2(C1)CCCC2 269982a_100000764703_200000210301 [0,0,0,1,0,0|3,0,0]=4 1340 B11R2.748 CN1CCC2(C1)CCCC2 34a_100000764703_200000210301 [0,0,0,1,0,0|3,0,0]=4 1341 B11R2.748 [13CH3]N1CCC2(C1)CCCC2 2230a_100000764703_200025704644 [0,0,0,1,0,0|3,0,0]=4 1342 B11R2.748 [13CH3]N1CCC2(C1)CCCC2 269982a_100000764703_200025704644 [0,0,0,1,0,0|3,0,0]=4 1343 B11R2.748 [13CH3]N1CCC2(C1)CCCC2 34a_100000764703_200025704644 [0,0,0,1,0,0|3,0,0]=4 1344 B9R1.9 C=C1CC(C1)CNCC 2230a_100102567296_100000210202 [0,0,0,0,1,0|3,0,0]=4 1345 B9R1.9 C=C1CC(C1)CNCC 34a_100102567296_100000210202 [0,0,0,0,1,0|3,0,0]=4 1346 B9R1.9 C=C1CC(C1)COCC 34a_100011011225_100000210202 [0,0,0,0,1,0|3,0,0]=4 1347 B9R1.9 C=C1CC(C1)NCCC 2230a_100132301982_100000210303 [0,0,0,0,1,0|3,0,0]=4 1348 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,0,0,0,1,0|2,0,0]=3 1349 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,0,0,0,1,0|2,0,0]=3 1350 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,0,0,0,1,0|2,0,0]=3 1351 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,0,0,0,1,0|2,0,0]=3 1352 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,0,0,0,1,0|2,0,0]=3 1353 B9R1.9 COCSC1CC(=O)C1 62a_100009894365_100000766300 [0,0,0,0,1,0|3,0,0]=4 1354 B9R1.9 CSCSC1CC(=O)C1 62a_100009894365_100011218213 [0,0,0,0,1,0|3,0,0]=4 1355 B9R1.9 O=C1CC(C1)COCF 34a_100000101936_100015361967 [0,0,0,0,1,0|3,0,0]=4 1356 B9R1.9 O=C1CC(C1)CSCF 62a_100009874392_100015361967 [0,0,0,0,1,0|3,0,0]=4 1357 B9R1.9 O=C1CC(C1)CSCF 62a_100015361967_100009874392 [0,0,0,0,1,0|3,0,0]=4 1358 B9R1.9 O=C1CC(C1)SCCF 62a_100009894365_100011217306 [0,0,0,0,1,0|3,0,0]=4 1359 B9R1.9 O=C1CC(C1)SCCO 62a_100009894365_100000211926 [0,0,0,0,1,0|3,0,0]=4 1360 B9R1.39 C#CCNC1CCC1=O 34a_100000212058_100009892977 [0,0,0,0,1,0|1,0,2]=4 1361 B9R1.39 C#CCOC1CCC1=O 34a_100000210247_100009892977 [0,0,0,0,1,0|1,0,2]=4 1362 B9R1.39 C#CCSC1CCC1=O 62a_100000038162_100009892977 [0,0,0,0,1,0|1,0,2]=4 1363 B9R1.39 C=CCOC1CCC1=O 34a_200000210373_100009892977 [0,0,0,0,1,0|1,0,2]=4 1364 B9R1.39 C=CCSC1CCC1=O 62a_100000210623_100009892977 [0,0,0,0,1,0|1,0,2]=4 1365 B9R1.39 C=CCSC1CCC1=O 62a_100009892977_100000210623 [0,0,0,0,1,0|1,0,2]=4 1366 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,0,0,0,1,0|2,0,1]=4 1367 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,0,0,0,1,0|2,0,1]=4 1368 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,0,1,0|1,0,0]=2 1369 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,0,1,0|1,0,0]=2 1370 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,0,1,0|1,0,0]=2 1371 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,0,1,0|1,0,0]=2 1372 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,0,1,0|1,0,0]=2 1373 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [0,0,0,0,1,0|2,0,0]=3 1374 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [0,0,0,0,1,0|2,0,0]=3 1375 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,0,1,0|1,0,0]=2 1376 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,0,1,0|1,0,0]=2 1377 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [0,0,0,0,1,0|2,0,0]=3 1378 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [0,0,0,0,1,0|2,0,0]=3 1379 B9R1.39 N#CCSC1CCC1=O 62a_100009892977_100011215382 [0,0,0,0,1,0|2,0,1]=4 1380 B9R1.39 N#CCSC1CCC1=O 62a_100011215382_100009892977 [0,0,0,0,1,0|2,0,1]=4 1381 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [0,0,0,0,1,0|2,0,0]=3 1382 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [0,0,0,0,1,0|2,0,0]=3 1383 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,0,0,0,1,0|2,0,0]=3 1384 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [0,0,0,0,1,0|2,0,0]=3 1385 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [0,0,0,0,1,0|2,0,0]=3 1386 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [0,0,0,0,1,0|2,0,0]=3 1387 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,0,0,0,1,0|2,0,0]=3 1388 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,0,0,0,1,0|2,0,0]=3 1389 B9R1.39 O=CCSC1CCC1=O 62a_100009892977_200015260668 [0,0,0,0,1,0|2,0,1]=4 1390 B9R1.39 O=CCSC1CCC1=O 62a_200015260668_100009892977 [0,0,0,0,1,0|2,0,1]=4 1391 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,0,1,0|1,0,0]=2 1392 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,0,1,0|1,0,0]=2 1393 B11R1.1 C=C1CCC(CC1)COCC 34a_100000074039_100000210202 [0,0,0,0,0,1|3,0,0]=4 1394 B11R1.1 C=C1CCC(CC1)NCCC 270004a_100020643023_100010272673 [0,0,0,0,0,1|3,0,0]=4 1395 B11R1.1 C=C1CCN(CC1)CCCC 2230a_100000752442_100000210211 [0,0,0,0,0,1|3,0,0]=4 1396 B11R1.1 C=C1CCN(CC1)CCCC 269982a_100000752442_100000210211 [0,0,0,0,0,1|3,0,0]=4 1397 B11R1.1 C=C1CCN(CC1)CCCC 34a_100000752442_100000210210 [0,0,0,0,0,1|3,0,0]=4 1398 B11R1.1 CCCCC1CCN(CC1)C 2230a_200016987432_200000210301 [0,0,0,0,0,1|3,0,0]=4 1399 B11R1.1 CCCCC1CCN(CC1)C 269982a_200016987432_200000210301 [0,0,0,0,0,1|3,0,0]=4 1400 B11R1.1 CCCCC1CCN(CC1)C 34a_200016987432_200000210301 [0,0,0,0,0,1|3,0,0]=4 1401 B11R1.1 CCCCC1CCN(CC1)[13CH3] 2230a_200016987432_200025704644 [0,0,0,0,0,1|3,0,0]=4 1402 B11R1.1 CCCCC1CCN(CC1)[13CH3] 269982a_200016987432_200025704644 [0,0,0,0,0,1|3,0,0]=4 1403 B11R1.1 CCCCC1CCN(CC1)[13CH3] 34a_200016987432_200025704644 [0,0,0,0,0,1|3,0,0]=4 1404 B11R1.1 CCCCN1CC=C(CC1)C 2230a_100000693516_100000210211 [0,0,0,0,0,1|3,0,0]=4 1405 B11R1.1 CCCCN1CC=C(CC1)C 269982a_100000693516_100000210211 [0,0,0,0,0,1|3,0,0]=4 1406 B11R1.1 CCCCN1CC=C(CC1)C 34a_100000693516_100000210210 [0,0,0,0,0,1|3,0,0]=4 1407 B11R1.1 CCCCN1CCS(=O)CC1 2230a_100000752083_100000210211 [0,0,0,0,0,1|3,0,0]=4 1408 B11R1.1 CCCCN1CCS(=O)CC1 269982a_100000752083_100000210211 [0,0,0,0,0,1|3,0,0]=4 1409 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [0,0,0,0,0,1|2,0,0]=3 1410 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [0,0,0,0,0,1|2,0,0]=3 1411 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [0,0,0,0,0,1|2,0,0]=3 1412 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [0,0,0,0,0,1|2,0,0]=3 1413 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [0,0,0,0,0,1|2,0,0]=3 1414 B11R1.1 CCCOC1CNC(=O)NC1 34a_100000080929_100000210303 [0,0,0,0,0,1|3,0,0]=4 1415 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [0,0,0,0,0,1|2,0,0]=3 1416 B11R1.1 COCNC1CCC(=O)NC1 2230a_100000748762_100000766300 [0,0,0,0,0,1|3,0,0]=4 1417 B11R1.1 CSCNC1CCC(=O)NC1 2230a_100000748762_100011218213 [0,0,0,0,0,1|3,0,0]=4 1418 B11R1.1 CSCNC1CCC(=O)NC1 34a_100000748762_100011218213 [0,0,0,0,0,1|3,0,0]=4 1419 B11R1.1 CSCOC1CCC(=O)CC1 34a_100000764474_100011218213 [0,0,0,0,0,1|3,0,0]=4 1420 B11R1.1 CSCOC1CCC(=O)NC1 34a_100000079199_100011218213 [0,0,0,0,0,1|3,0,0]=4 1421 B11R1.1 O=C1CCC(CC1)COCF 34a_100000062911_100015361967 [0,0,0,0,0,1|3,0,0]=4 1422 B11R1.1 O=C1CCC(CC1)OCCF 34a_100000764474_100011217306 [0,0,0,0,0,1|3,0,0]=4 1423 B11R1.1 O=C1CCC(CC1)OCCF 7a_100000764474_100011217306 [0,0,0,0,0,1|3,0,0]=4 1424 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [0,0,0,0,0,1|3,0,0]=4 1425 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [0,0,0,0,0,1|3,0,0]=4 1426 B11R1.1 O=C1CCC(CN1)NCCF 2230a_100000748762_100011217306 [0,0,0,0,0,1|3,0,0]=4 1427 B11R1.1 O=C1CCC(CN1)NCCF 34a_100000748762_100011217306 [0,0,0,0,0,1|3,0,0]=4 1428 B11R1.1 O=C1CCC(CN1)NCCO 2230a_100000748762_100000211926 [0,0,0,0,0,1|3,0,0]=4 1429 B11R1.1 O=C1CCC(CN1)NCCO 34a_100000748762_100000211926 [0,0,0,0,0,1|3,0,0]=4 1430 B11R1.1 O=C1CCC(CN1)OCCF 34a_100000079199_100011217306 [0,0,0,0,0,1|3,0,0]=4 1431 B11R1.1 O=C1CCC(CN1)OCCO 34a_100000079199_100000211926 [0,0,0,0,0,1|3,0,0]=4 1432 B11R1.24 CCCCN1CCC=C(C1)C 2230a_100000725631_100000210211 [0,0,0,0,0,1|3,0,0]=4 1433 B11R1.24 CCCCN1CCC=C(C1)C 269982a_100000725631_100000210211 [0,0,0,0,0,1|3,0,0]=4 1434 B11R1.24 CCCCN1CCC=C(C1)C 34a_100000725631_100000210210 [0,0,0,0,0,1|3,0,0]=4 1435 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,0,0,0,0,1|2,0,0]=3 1436 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,0,0,0,0,1|2,0,0]=3 1437 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,0,0,0,0,1|2,0,0]=3 1438 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,0,0,0,0,1|2,0,0]=3 1439 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [0,0,0,0,0,1|3,0,0]=4 1440 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,0,0,0,0,1|2,0,0]=3 1441 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,0,0,0,0,1|2,0,0]=3 1442 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,0,0,0,0,1|2,0,0]=3 1443 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,0,0,0,0,1|2,0,0]=3 1444 B11R1.24 CCOCC1COCC(=O)N1 34a_200000101122_100000210202 [0,0,0,0,0,1|2,0,0]=3 1445 B11R1.24 COCCN1CCNC(=O)C1 2230a_100000184651_100011201679 [0,0,0,0,0,1|3,0,0]=4 1446 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,0,0,0,0,1|3,0,0]=4 1447 B11R1.24 COCNC1CCNC(=O)C1 2230a_100016994916_100000766300 [0,0,0,0,0,1|3,0,0]=4 1448 B11R1.24 CSCCN1CCNC(=O)C1 2230a_100000184651_100000751147 [0,0,0,0,0,1|3,0,0]=4 1449 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,0,0,0,0,1|3,0,0]=4 1450 B11R1.24 CSCNC1CCNC(=O)C1 2230a_100016994916_100011218213 [0,0,0,0,0,1|3,0,0]=4 1451 B11R1.24 CSCNC1CCNC(=O)C1 34a_100016994916_100011218213 [0,0,0,0,0,1|3,0,0]=4 1452 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,0,0,0,0,1|3,0,0]=4 1453 B11R1.24 CSCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218213 [0,0,0,0,0,1|3,0,0]=4 1454 B11R1.24 O=C1CC(CCN1)COCF 34a_100009886756_100015361967 [0,0,0,0,0,1|3,0,0]=4 1455 B11R1.24 O=C1CC(CCN1)NCCF 2230a_100016994916_100011217306 [0,0,0,0,0,1|3,0,0]=4 1456 B11R1.24 O=C1CC(CCN1)NCCF 34a_100016994916_100011217306 [0,0,0,0,0,1|3,0,0]=4 1457 B11R1.24 O=C1CC(CCN1)NCCO 2230a_100016994916_100000211926 [0,0,0,0,0,1|3,0,0]=4 1458 B11R1.24 O=C1CC(CCN1)NCCO 34a_100016994916_100000211926 [0,0,0,0,0,1|3,0,0]=4 1459 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,0,0,0,0,1|3,0,0]=4 1460 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,0,0,0,0,1|3,0,0]=4 1461 B11R1.24 O=C1CCCC(N1)COCF 34a_200000102386_100015361967 [0,0,0,0,0,1|3,0,0]=4 1462 B11R1.24 O=C1CN(CCN1)CCCF 2230a_100000184651_100011934791 [0,0,0,0,0,1|3,0,0]=4 1463 B11R1.24 O=C1CN(CCN1)CCCO 2230a_100000184651_100000230001 [0,0,0,0,0,1|3,0,0]=4 1464 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,0,0,0,0,1|3,0,0]=4 1465 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,0,0,0,0,1|3,0,0]=4 1466 B11R1.24 O=C1COCC(N1)COCF 34a_200000101122_100015361967 [0,0,0,0,0,1|3,0,0]=4 1467 B11R1.24 O=C1C[C@@H](CCN1)OCCF 34a_100015189427_100011217306 [0,0,0,0,0,1|3,0,0]=4 1468 B11R1.24 O=C1C[C@@H](CCN1)OCCO 34a_100015189427_100000211926 [0,0,0,0,0,1|3,0,0]=4 1469 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,1,0,0,0|2,0,0]=4 1470 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,1,0,0,0|2,0,0]=4 1471 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,1,0,0,0|2,0,0]=4 1472 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,1,0,0,0|2,0,0]=4 1473 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,1,0,0,0|2,0,0]=4 1474 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,1,0,0,0|2,0,0]=4 1475 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,1,0,0,0|2,0,0]=4 1476 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,1,0,0,0|2,0,0]=4 1477 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,1,0,0,0|2,0,0]=4 1478 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,1,0,0,0|2,0,0]=4 1479 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,1,0,0,0|2,0,0]=4 1480 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,1,0,0,0|2,0,0]=4 1481 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,1,0,0,0|2,0,0]=4 1482 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,1,0,0,0|2,0,0]=4 1483 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,1,0,0,0|2,0,0]=4 1484 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,1,0,0,0|2,0,0]=4 1485 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,1,0,0,0|2,0,0]=4 1486 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,1,0,0,0|2,0,0]=4 1487 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,1,0,0,0|2,0,0]=4 1488 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,1,0,0,0|2,0,0]=4 1489 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,1,0,0,0|2,0,0]=4 1490 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,1,0,0,0|2,0,0]=4 1491 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,1,0,0,0|2,0,0]=4 1492 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,1,0,0,0|2,0,0]=4 1493 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,1,0,0,0|2,0,0]=4 1494 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,1,0,0,0|2,0,0]=4 1495 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,1,0,0,0|2,0,0]=4 1496 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,1,0,0,0|2,0,0]=4 1497 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,1,0,0,0|2,0,0]=4 1498 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,1,0,0,0|2,0,0]=4 1499 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,1,0,0,0|2,0,0]=4 1500 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,1,0,0,0|2,0,0]=4 1501 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,1,0,0,0|2,0,0]=4 1502 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,1,0,0,0|2,0,0]=4 1503 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,1,0,0,0|2,0,0]=4 1504 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,1,0,0,0|2,0,0]=4 1505 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,1,0,0,0|2,0,0]=4 1506 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,1,0,0,0|2,0,0]=4 1507 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,1,0,0,0|2,0,0]=4 1508 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,1,0,0,0|2,0,0]=4 1509 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,1,0,0,0|2,0,0]=4 1510 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,1,0,0,0|2,0,0]=4 1511 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,1,0,0,0|2,0,0]=4 1512 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,1,0,0,0|2,0,0]=4 1513 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,1,0,0,0|2,0,0]=4 1514 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,1,0,0,0|2,0,0]=4 1515 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,1,0,0,0|2,0,0]=4 1516 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,1,0,0,0|2,0,0]=4 1517 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,1,0,0,0|2,0,0]=4 1518 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,1,0,0,0|2,0,0]=4 1519 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,1,0,0,0|2,0,0]=4 1520 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,1,0,0,0|2,0,0]=4 1521 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,1,0,0,0|2,0,0]=4 1522 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,1,0,0,0|2,0,0]=4 1523 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,1,0,0,0|2,0,0]=4 1524 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,1,0,0,0|2,0,0]=4 1525 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,0,1,0,0,0|2,0,0]=4 1526 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,1,0,0,0|2,0,0]=4 1527 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,1,0,0,0|2,0,0]=4 1528 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,1,0,0,0|2,0,0]=4 1529 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,1,0,0,0|2,0,0]=4 1530 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,1,0,0,0|2,0,0]=4 1531 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,1,0,0,0|2,0,0]=4 1532 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,1,0,0,0|2,0,0]=4 1533 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,1,0,0,0|2,0,0]=4 1534 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,1,0,0,0|2,0,0]=4 1535 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,1,0,0,0|2,0,0]=4 1536 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,1,0,0,0|2,0,0]=4 1537 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,1,0,0,0|2,0,0]=4 1538 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,1,0,0,0|2,0,0]=4 1539 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,1,0,0,0|2,0,0]=4 1540 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,1,0,0,0|2,0,0]=4 1541 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,1,0,0,0|2,0,0]=4 1542 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,1,0,0,0|2,0,0]=4 1543 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,1,0,0,0|2,0,0]=4 1544 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,1,0,0,0|2,0,0]=4 1545 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,1,0,0,0|2,0,0]=4 1546 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,1,0,0,0|2,0,0]=4 1547 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,1,0,0,0|1,0,0]=3 1548 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,1,0,0,0|1,0,1]=4 1549 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,1,0,0,0|1,0,1]=4 1550 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,1,0,0,0|1,0,1]=4 1551 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,1,0,0,0|1,0,1]=4 1552 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,1,0,0,0|1,0,0]=3 1553 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,1,0,0,0|1,0,0]=3 1554 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,1,0,0,0|1,0,1]=4 1555 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,1,0,0,0|0,0,1]=3 1556 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,1,0,0,0|0,0,1]=3 1557 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,1,0,0,0|0,0,1]=3 1558 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,1,0,0,0|1,0,1]=4 1559 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,1,0,0,0|1,0,1]=4 1560 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,1,0,0,0|1,0,1]=4 1561 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,1,0,0,0|1,0,1]=4 1562 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,1,0,0,0|1,0,1]=4 1563 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,1,0,0,0|1,0,1]=4 1564 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,1,0,0,0|1,0,0]=3 1565 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,1,0,0,0|1,0,0]=3 1566 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,1,0,0,0|0,1,1]=4 1567 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,1,0,0,0|0,1,1]=4 1568 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,1,0,0,0|1,0,1]=4 1569 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,1,0,0,0|1,0,1]=4 1570 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,1,0,0,0|1,0,1]=4 1571 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,1,0,0,0|1,0,1]=4 1572 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,1,0,0,0|1,0,1]=4 1573 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,1,0,0,0|1,0,1]=4 1574 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,1,0,0,0|1,0,1]=4 1575 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,1,0,0,0|1,0,1]=4 1576 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,1,0,0,0|1,0,1]=4 1577 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,1,0,0,0|1,0,1]=4 1578 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,1,0,0,0|1,0,1]=4 1579 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,1,0,0,0|1,0,1]=4 1580 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,1,0,0,0|1,0,1]=4 1581 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,1,0,0,0|1,0,1]=4 1582 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,1,0,0,0|1,0,1]=4 1583 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,1,0,0,0|1,0,1]=4 1584 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,1,0,0,0|1,0,1]=4 1585 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,1,0,0,0|1,0,1]=4 1586 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,1,0,0,0|1,0,1]=4 1587 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,1,0,0,0|1,0,1]=4 1588 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,1,0,0,0|1,0,1]=4 1589 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,1,0,0,0|1,0,1]=4 1590 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,1,0,0,0|1,0,1]=4 1591 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,1,0,0,0|1,0,1]=4 1592 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,1,0,0,0|1,0,1]=4 1593 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,1,0,0,0|1,0,1]=4 1594 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,1,0,0,0|1,0,1]=4 1595 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,1,0,0,0|1,0,1]=4 1596 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,1,0,0,0|1,0,1]=4 1597 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,1,0,0,0|1,0,1]=4 1598 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,1,0,0,0|1,0,1]=4 1599 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,1,0,0,0|1,0,1]=4 1600 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,1,0,0,0|1,0,1]=4 1601 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,1,0,0,0|1,0,1]=4 1602 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,1,0,0,0|1,0,1]=4 1603 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,1,0,0,0|1,0,1]=4 1604 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,1,0,0,0|1,0,1]=4 1605 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,1,0,0,0|1,0,1]=4 1606 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,1,0,0,0|1,0,1]=4 1607 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,1,0,0,0|1,0,1]=4 1608 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,1,0,0,0|1,0,1]=4 1609 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,1,0,0,0|1,0,1]=4 1610 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,1,0,0,0|1,0,0]=3 1611 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,1,0,0,0|1,0,0]=3 1612 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,1,0,0,0|1,0,1]=4 1613 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,1,0,0,0|1,0,1]=4 1614 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,1,0,0,0|1,0,0]=3 1615 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,1,0,0,0|1,0,1]=4 1616 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,1,0,0,0|1,0,1]=4 1617 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,1,0,0,0|1,0,1]=4 1618 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,1,0,0,0|1,0,1]=4 1619 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,0,1,0,0,0|2,0,0]=4 1620 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,0,1,0,0,0|2,0,0]=4 1621 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,0,1,0,0,0|2,0,0]=4 1622 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,0,1,0,0,0|2,0,0]=4 1623 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,0,1,0,0,0|2,0,0]=4 1624 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,0,1,0,0,0|2,0,0]=4 1625 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,1,0,0,0|1,0,0]=3 1626 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,1,0,0,0|1,0,0]=3 1627 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,1,0,0,0|1,0,1]=4 1628 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,1,0,0,0|1,0,1]=4 1629 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,0,1,0,0,0|2,0,0]=4 1630 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,0,1,0,0,0|2,0,0]=4 1631 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,0,1,0,0,0|2,0,0]=4 1632 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,0,1,0,0,0|2,0,0]=4 1633 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,0,1,0,0,0|2,0,0]=4 1634 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,1,0,0,0|1,0,0]=3 1635 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,1,0,0,0|1,0,0]=3 1636 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,1,0,0,0|1,0,1]=4 1637 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,1,0,0,0|1,0,1]=4 1638 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,1,0,0,0|1,0,1]=4 1639 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,1,0,0,0|1,0,1]=4 1640 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,1,0,0,0|1,0,1]=4 1641 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,0,1,0,0,0|2,0,0]=4 1642 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,1,0,0,0|1,0,1]=4 1643 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,0,1,0,0,0|2,0,0]=4 1644 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,0,1,0,0,0|2,0,0]=4 1645 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,0,1,0,0,0|2,0,0]=4 1646 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,0,1,0,0,0|2,0,0]=4 1647 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,0,1,0,0,0|2,0,0]=4 1648 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,0,1,0,0,0|2,0,0]=4 1649 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,1,0,0,0|1,0,0]=3 1650 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,1,0,0,0|1,0,0]=3 1651 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,1,0,0,0|1,0,1]=4 1652 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,1,0,0,0|1,0,1]=4 1653 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,0,1,0,0,0|2,0,0]=4 1654 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,0,1,0,0,0|2,0,0]=4 1655 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,0,1,0,0,0|2,0,0]=4 1656 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,0,1,0,0,0|2,0,0]=4 1657 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,0,1,0,0,0|2,0,0]=4 1658 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,0,1,0,0,0|2,0,0]=4 1659 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,0,1,0,0,0|2,0,0]=4 1660 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,0,1,0,0,0|2,0,0]=4 1661 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,1,0,0,0|2,0,0]=4 1662 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [1,0,1,0,0,0|2,0,0]=4 1663 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [1,0,1,0,0,0|2,0,0]=4 1664 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,1,0,0,0|2,0,0]=4 1665 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,1,0,0,0|2,0,0]=4 1666 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,1,0,0,0|2,0,0]=4 1667 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,1,0,0,0|2,0,0]=4 1668 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,0,1,0,0,0|2,0,0]=4 1669 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,0,1,0,0,0|2,0,0]=4 1670 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,0,1,0,0,0|2,0,0]=4 1671 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,0,1,0,0,0|2,0,0]=4 1672 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,0,1,0,0,0|2,0,0]=4 1673 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,0,1,0,0,0|2,0,0]=4 1674 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,0,1,0,0,0|2,0,0]=4 1675 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,0,1,0,0,0|2,0,0]=4 1676 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,1,0,0,0|2,0,0]=4 1677 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,1,0,0,0|2,0,0]=4 1678 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,1,0,0,0|1,0,1]=4 1679 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,1,0,0,0|1,0,1]=4 1680 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,1,0,0,0|1,0,0]=3 1681 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,1,0,0,0|1,0,0]=3 1682 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,1,0,0,0|1,0,1]=4 1683 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,1,0,0,0|1,0,1]=4 1684 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,1,0,0,0|2,0,0]=4 1685 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,1,0,0,0|2,0,0]=4 1686 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,1,0,0,0|2,0,0]=4 1687 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,1,0,0,0|2,0,0]=4 1688 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,1,0,0,0|2,0,0]=4 1689 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,1,0,0,0|2,0,0]=4 1690 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,1,0,0,0|2,0,0]=4 1691 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,0,1,0,0,0|2,0,0]=4 1692 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,1,0,0,0|2,0,0]=4 1693 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,1,0,0,0|1,0,0]=3 1694 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,1,0,0,0|1,0,0]=3 1695 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [1,0,1,0,0,0|2,0,0]=4 1696 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [1,0,1,0,0,0|2,0,0]=4 1697 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [1,0,1,0,0,0|2,0,0]=4 1698 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,0,1,0,0,0|2,0,0]=4 1699 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [1,0,1,0,0,0|2,0,0]=4 1700 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,0,1,0,0,0|2,0,0]=4 1701 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [1,0,1,0,0,0|2,0,0]=4 1702 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [1,0,1,0,0,0|2,0,0]=4 1703 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,0,1,0,0,0|2,0,0]=4 1704 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,0,1,0,0,0|2,0,0]=4 1705 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,0,1,0,0,0|1,1,0]=4 1706 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,0,1,0,0,0|1,1,0]=4 1707 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,0,1,0,0,0|1,1,0]=4 1708 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,0,1,0,0,0|1,1,0]=4 1709 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,1,0,0,0|1,0,1]=4 1710 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,1,0,0,0|1,0,1]=4 1711 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,1,0,0,0|1,0,0]=3 1712 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,1,0,0,0|1,0,0]=3 1713 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,1,0,0,0|1,0,0]=3 1714 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,1,0,0,0|1,0,0]=3 1715 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,1,0,0,0|1,0,0]=3 1716 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,1,0,0,0|1,0,0]=3 1717 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,1,0,0,0|1,0,0]=3 1718 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,0,1,0,0,0|1,0,1]=4 1719 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,0,1,0,0,0|1,0,1]=4 1720 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,0,1,0,0,0|1,0,1]=4 1721 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,0,1,0,0,0|2,0,0]=4 1722 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,0,1,0,0,0|2,0,0]=4 1723 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,0,1,0,0,0|2,0,0]=4 1724 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,1,0,0,0|1,0,0]=3 1725 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,0,1,0,0,0|2,0,0]=4 1726 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,1,0,0,0|2,0,0]=4 1727 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,1,0,0,0|2,0,0]=4 1728 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,1,0,0,0|2,0,0]=4 1729 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,0,1,0,0,0|2,0,0]=4 1730 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,0,1,0,0,0|2,0,0]=4 1731 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,1,0,0,0|2,0,0]=4 1732 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,0,1,0,0,0|1,0,1]=4 1733 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,1,0,0,0|2,0,0]=4 1734 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,0,1,0,0,0|2,0,0]=4 1735 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,0,1,0,0,0|2,0,0]=4 1736 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,1,0,0,0|2,0,0]=4 1737 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,0,1,0,0,0|1,0,1]=4 1738 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,0,1,0,0,0|1,0,1]=4 1739 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,0,1,0,0,0|2,0,0]=4 1740 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,1,0,0,0|2,0,0]=4 1741 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,1,0,0,0|2,0,0]=4 1742 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,1,0,0,0|2,0,0]=4 1743 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,1,0,0,0|2,0,0]=4 1744 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,1,0,0,0|2,0,0]=4 1745 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,1,0,0,0|2,0,0]=4 1746 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,0,1,0,0,0|1,0,0]=3 1747 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,1,0,0,0|2,0,0]=4 1748 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,1,0,0,0|2,0,0]=4 1749 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,1,0,0,0|2,0,0]=4 1750 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,1,0,0,0|2,0,0]=4 1751 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,1,0,0,0|1,0,0]=3 1752 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,1,0,0,0|1,0,0]=3 1753 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,1,0,0,0|2,0,0]=4 1754 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,0,1,0,0,0|2,0,0]=4 1755 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,0,1,0,0,0|2,0,0]=4 1756 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,1,0,0,0|2,0,0]=4 1757 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,1,0,0,0|2,0,0]=4 1758 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,1,0,0,0|2,0,0]=4 1759 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,1,0,0,0|2,0,0]=4 1760 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,1,0,0,0|2,0,0]=4 1761 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,0,1,0,0,0|2,0,0]=4 1762 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,0,1,0,0,0|2,0,0]=4 1763 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,0,1,0,0,0|2,0,0]=4 1764 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,0,1,0,0,0|2,0,0]=4 1765 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,0,1,0,0,0|2,0,0]=4 1766 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,0,1,0,0,0|1,0,0]=3 1767 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,0,1,0,0,0|2,0,0]=4 1768 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,0,1,0,0,0|2,0,0]=4 1769 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,0,1,0,0,0|2,0,0]=4 1770 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,1,0,0,0|2,0,0]=4 1771 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,1,0,0,0|2,0,0]=4 1772 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,1,0,0,0|2,0,0]=4 1773 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,1,0,0,0|2,0,0]=4 1774 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,0,1,0,0,0|2,0,0]=4 1775 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,0,1,0,0,0|2,0,0]=4 1776 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,0,1,0,0,0|2,0,0]=4 1777 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,0,1,0,0,0|2,0,0]=4 1778 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,0,1,0,0,0|2,0,0]=4 1779 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,0,1,0,0,0|2,0,0]=4 1780 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,1,0,0,0|1,0,0]=3 1781 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,1,0,0,0|1,0,0]=3 1782 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,0,1,0,0,0|2,0,0]=4 1783 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,0,1,0,0,0|2,0,0]=4 1784 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,1,0,0,0|2,0,0]=4 1785 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,1,0,0,0|2,0,0]=4 1786 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,1,0,0,0|2,0,0]=4 1787 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,0,1,0,0,0|2,0,0]=4 1788 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,0,1,0,0,0|1,0,0]=3 1789 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,0,1,0,0,0|1,0,0]=3 1790 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [1,0,1,0,0,0|1,1,0]=4 1791 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [1,0,1,0,0,0|1,1,0]=4 1792 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [1,0,1,0,0,0|1,1,0]=4 1793 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,0,1,0,0,0|1,1,0]=4 1794 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,0,1,0,0,0|1,1,0]=4 1795 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,0,1,0,0,0|1,1,0]=4 1796 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,0,1,0,0,0|2,0,0]=4 1797 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,1,0,0,0|2,0,0]=4 1798 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,1,0,0,0|2,0,0]=4 1799 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,1,0,0,0|2,0,0]=4 1800 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,1,0,0,0|2,0,0]=4 1801 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,1,0,0,0|2,0,0]=4 1802 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,1,0,0,0|2,0,0]=4 1803 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,1,0,0,0|2,0,0]=4 1804 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,1,0,0,0|2,0,0]=4 1805 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,1,0,0,0|1,0,0]=3 1806 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,0,1,0,0,0|1,1,0]=4 1807 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,0,1,0,0,0|1,1,0]=4 1808 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,0,1,0,0,0|2,0,0]=4 1809 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [1,0,1,0,0,0|2,0,0]=4 1810 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [1,0,1,0,0,0|2,0,0]=4 1811 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,1,0,0,0|2,0,0]=4 1812 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,1,0,0,0|2,0,0]=4 1813 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,0,1,0,0,0|2,0,0]=4 1814 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,0,1,0,0,0|2,0,0]=4 1815 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,0,1,0,0,0|2,0,0]=4 1816 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,0,1,0,0,0|2,0,0]=4 1817 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,1,0,0,0|1,0,0]=3 1818 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,1,0,0,0|1,0,0]=3 1819 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,0,1,0,0,0|1,1,0]=4 1820 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,0,1,0,0,0|1,1,0]=4 1821 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,0,1,0,0,0|1,1,0]=4 1822 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,0,1,0,0,0|1,1,0]=4 1823 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,0,1,0,0,0|2,0,0]=4 1824 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [1,0,1,0,0,0|2,0,0]=4 1825 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [1,0,1,0,0,0|2,0,0]=4 1826 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,1,0,0,0|2,0,0]=4 1827 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,1,0,0,0|2,0,0]=4 1828 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,1,0,0,0|2,0,0]=4 1829 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,1,0,0,0|2,0,0]=4 1830 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,0,1,0,0,0|2,0,0]=4 1831 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,1,0,0,0|2,0,0]=4 1832 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,1,0,0,0|2,0,0]=4 1833 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [1,0,1,0,0,0|2,0,0]=4 1834 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [1,0,1,0,0,0|2,0,0]=4 1835 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [1,0,1,0,0,0|2,0,0]=4 1836 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [1,0,1,0,0,0|2,0,0]=4 1837 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [1,0,1,0,0,0|2,0,0]=4 1838 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [1,0,1,0,0,0|2,0,0]=4 1839 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,0,1,0,0,0|2,0,0]=4 1840 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,0,1,0,0,0|2,0,0]=4 1841 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,0,1,0,0,0|2,0,0]=4 1842 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,0,1,0,0,0|2,0,0]=4 1843 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,0,1,0,0,0|1,0,1]=4 1844 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,0,1,0,0,0|1,0,1]=4 1845 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,0,1,0,0,0|1,0,1]=4 1846 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,0,1,0,0,0|0,0,1]=3 1847 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,0,1,0,0,0|0,0,1]=3 1848 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,0,1,0,0,0|0,0,1]=3 1849 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,0,1,0,0,0|1,0,1]=4 1850 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,0,1,0,0,0|1,0,1]=4 1851 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,0,1,0,0,0|0,1,1]=4 1852 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,0,1,0,0,0|0,1,1]=4 1853 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,0,1,0,0,0|2,0,0]=4 1854 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,0,1,0,0,0|2,0,0]=4 1855 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,0,1,0,0,0|1,0,1]=4 1856 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,0,1,0,0,0|1,0,1]=4 1857 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,0,1,0,0,0|1,0,1]=4 1858 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,0,1,0,0,0|1,0,1]=4 1859 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,0,1,0,0,0|2,0,0]=4 1860 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,0,1,0,0,0|2,0,0]=4 1861 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [1,0,1,0,0,0|2,0,0]=4 1862 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [1,0,1,0,0,0|2,0,0]=4 1863 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,0,1,0,0,0|1,0,1]=4 1864 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,0,1,0,0,0|1,0,1]=4 1865 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,0,1,0,0,0|1,0,0]=3 1866 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,0,1,0,0,0|1,0,0]=3 1867 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,0,1,0,0,0|1,0,0]=3 1868 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,0,1,0,0,0|1,0,0]=3 1869 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,0,1,0,0,0|1,0,0]=3 1870 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,0,1,0,0,0|1,0,0]=3 1871 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,0,1,0,0,0|1,0,0]=3 1872 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,0,1,0,0,0|1,0,1]=4 1873 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,0,1,0,0,0|1,0,1]=4 1874 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,0,1,0,0,0|1,0,1]=4 1875 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,0,1,0,0,0|2,0,0]=4 1876 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,0,1,0,0,0|2,0,0]=4 1877 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,0,1,0,0,0|1,0,0]=3 1878 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,0,1,0,0,0|1,0,0]=3 1879 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,0,1,0,0,0|2,0,0]=4 1880 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,0,1,0,0,0|2,0,0]=4 1881 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,0,1,0,0,0|2,0,0]=4 1882 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,0,1,0,0,0|2,0,0]=4 1883 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [1,0,1,0,0,0|2,0,0]=4 1884 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [1,0,1,0,0,0|2,0,0]=4 1885 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [1,0,1,0,0,0|2,0,0]=4 1886 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [1,0,1,0,0,0|2,0,0]=4 1887 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [1,0,1,0,0,0|2,0,0]=4 1888 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [1,0,1,0,0,0|2,0,0]=4 1889 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [1,0,1,0,0,0|1,0,1]=4 1890 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [1,0,1,0,0,0|1,0,1]=4 1891 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [1,0,1,0,0,0|1,0,1]=4 1892 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [1,0,1,0,0,0|0,0,1]=3 1893 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [1,0,1,0,0,0|0,0,1]=3 1894 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [1,0,1,0,0,0|0,0,1]=3 1895 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [1,0,1,0,0,0|0,0,1]=3 1896 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [1,0,1,0,0,0|0,0,1]=3 1897 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [1,0,1,0,0,0|0,1,1]=4 1898 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [1,0,1,0,0,0|0,1,1]=4 1899 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [1,0,1,0,0,0|0,1,1]=4 1900 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [1,0,1,0,0,0|0,1,1]=4 1901 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [1,0,1,0,0,0|1,0,1]=4 1902 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [1,0,1,0,0,0|1,0,1]=4 1903 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [1,0,1,0,0,0|1,0,1]=4 1904 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [1,0,1,0,0,0|1,0,1]=4 1905 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [1,0,1,0,0,0|1,0,1]=4 1906 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [1,0,1,0,0,0|1,0,1]=4 1907 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [1,0,1,0,0,0|2,0,0]=4 1908 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [1,0,1,0,0,0|2,0,0]=4 1909 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [1,0,1,0,0,0|0,0,2]=4 1910 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [1,0,1,0,0,0|0,0,2]=4 1911 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [1,0,1,0,0,0|0,0,2]=4 1912 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,0,1,0,0,0|0,0,2]=4 1913 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,0,1,0,0,0|0,0,2]=4 1914 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,0,1,0,0,0|0,0,2]=4 1915 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,0,1,0,0,0|0,0,2]=4 1916 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,0,1,0,0,0|0,0,2]=4 1917 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [1,0,1,0,0,0|0,0,2]=4 1918 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [1,0,1,0,0,0|1,0,1]=4 1919 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [1,0,1,0,0,0|1,0,1]=4 1920 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,0,1,0,0,0|1,0,0]=3 1921 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,0,1,0,0,0|1,0,0]=3 1922 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,0,1,0,0,0|1,0,0]=3 1923 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,0,1,0,0,0|1,0,0]=3 1924 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,0,1,0,0,0|1,0,0]=3 1925 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,0,1,0,0,0|1,0,0]=3 1926 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [1,0,1,0,0,0|2,0,0]=4 1927 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,0,1,0,0,0|2,0,0]=4 1928 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,0,1,0,0,0|2,0,0]=4 1929 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,0,1,0,0,0|2,0,0]=4 1930 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [1,0,1,0,0,0|2,0,0]=4 1931 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [1,0,1,0,0,0|2,0,0]=4 1932 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,0,1,0,0,0|2,0,0]=4 1933 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,0,1,0,0,0|2,0,0]=4 1934 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,0,1,0,0,0|2,0,0]=4 1935 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,0,1,0,0,0|2,0,0]=4 1936 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,0,1,0,0,0|2,0,0]=4 1937 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,0,1,0,0,0|2,0,0]=4 1938 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,0,1,0,0,0|2,0,0]=4 1939 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,0,1,0,0,0|2,0,0]=4 1940 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,0,1,0,0,0|2,0,0]=4 1941 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,0,1,0,0,0|2,0,0]=4 1942 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,0,1,0,0,0|2,0,0]=4 1943 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,0,1,0,0,0|2,0,0]=4 1944 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,0,1,0,0,0|2,0,0]=4 1945 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,0,1,0,0,0|2,0,0]=4 1946 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,0,1,0,0,0|2,0,0]=4 1947 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,0,1,0,0,0|2,0,0]=4 1948 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,0,1,0,0,0|2,0,0]=4 1949 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,0,1,0,0,0|2,0,0]=4 1950 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,0,1,0,0,0|2,0,0]=4 1951 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,0,1,0,0,0|2,0,0]=4 1952 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,0,1,0,0,0|2,0,0]=4 1953 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,0,1,0,0,0|2,0,0]=4 1954 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,0,1,0,0,0|2,0,0]=4 1955 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,0,1,0,0,0|2,0,0]=4 1956 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,0,1,0,0,0|2,0,0]=4 1957 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,0,1,0,0,0|1,0,0]=3 1958 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,0,1,0,0,0|1,0,0]=3 1959 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,0,1,0,0,0|0,0,2]=4 1960 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,0,1,0,0,0|0,0,2]=4 1961 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,0,1,0,0,0|0,0,0]=2 1962 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,0,1,0,0,0|0,0,0]=2 1963 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,0,1,0,0,0|1,0,0]=3 1964 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,0,1,0,0,0|1,0,0]=3 1965 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,0,1,0,0,0|1,0,0]=3 1966 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,0,1,0,0,0|1,0,0]=3 1967 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,0,1,0,0,0|1,0,0]=3 1968 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,0,1,0,0,0|1,0,0]=3 1969 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,0,1,0,0,0|2,0,0]=4 1970 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,0,1,0,0,0|2,0,0]=4 1971 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,0,1,0,0,0|2,0,0]=4 1972 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,0,1,0,0,0|2,0,0]=4 1973 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,0,1,0,0,0|1,0,0]=3 1974 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,0,1,0,0,0|1,0,0]=3 1975 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,0,1,0,0,0|1,0,0]=3 1976 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,0,1,0,0,0|1,0,0]=3 1977 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,0,1,0,0,0|2,0,0]=4 1978 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,0,1,0,0,0|2,0,0]=4 1979 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,0,1,0,0,0|2,0,0]=4 1980 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,0,1,0,0,0|2,0,0]=4 1981 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,0,1,0,0,0|2,0,0]=4 1982 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,0,1,0,0,0|2,0,0]=4 1983 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,0,1,0,0,0|2,0,0]=4 1984 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,0,1,0,0,0|2,0,0]=4 1985 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,0,1,0,0,0|1,0,1]=4 1986 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,0,1,0,0,0|1,0,1]=4 1987 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,0,1,0,0,0|1,0,1]=4 1988 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,0,1,0,0,0|2,0,0]=4 1989 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,0,1,0,0,0|2,0,0]=4 1990 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,0,1,0,0,0|1,0,0]=3 1991 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,0,1,0,0,0|1,0,0]=3 1992 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,0,1,0,0,0|2,0,0]=4 1993 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,0,1,0,0,0|2,0,0]=4 1994 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,0,1,0,0,0|2,0,0]=4 1995 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,0,1,0,0,0|2,0,0]=4 1996 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,0,1,0,0,0|2,0,0]=4 1997 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,0,1,0,0,0|2,0,0]=4 1998 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,0,1,0,0,0|2,0,0]=4 1999 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,0,1,0,0,0|2,0,0]=4 2000 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,0,1,0,0,0|1,0,0]=3 2001 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,0,1,0,0,0|1,0,0]=3 2002 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,0,1,0,0,0|1,0,0]=3 2003 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,0,1,0,0,0|2,0,0]=4 2004 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,0,1,0,0,0|2,0,0]=4 2005 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,0,1,0,0,0|2,0,0]=4 2006 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,0,1,0,0,0|2,0,0]=4 2007 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,0,1,0,0,0|2,0,0]=4 2008 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,0,1,0,0,0|2,0,0]=4 2009 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,0,1,0,0,0|2,0,0]=4 2010 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,0,1,0,0,0|2,0,0]=4 2011 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,0,1,0,0,0|2,0,0]=4 2012 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,0,1,0,0,0|2,0,0]=4 2013 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,0,1,0,0,0|2,0,0]=4 2014 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,0,1,0,0,0|2,0,0]=4 2015 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,0,1,0,0,0|2,0,0]=4 2016 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,0,1,0,0,0|1,0,0]=3 2017 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,0,1,0,0,0|1,0,0]=3 2018 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,0,1,0,0,0|2,0,0]=4 2019 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,0,1,0,0,0|2,0,0]=4 2020 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,0,1,0,0,0|2,0,0]=4 2021 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,0,1,0,0,0|2,0,0]=4 2022 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,0,1,0,0,0|2,0,0]=4 2023 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,0,1,0,0,0|2,0,0]=4 2024 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,0,1,0,0,0|2,0,0]=4 2025 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,0,1,0,0,0|2,0,0]=4 2026 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,0,1,0,0,0|2,0,0]=4 2027 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,0,1,0,0,0|1,0,0]=3 2028 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,0,1,0,0,0|1,0,0]=3 2029 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,0,1,0,0,0|2,0,0]=4 2030 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,0,1,0,0,0|2,0,0]=4 2031 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,0,1,0,0,0|2,0,0]=4 2032 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,0,1,0,0,0|2,0,0]=4 2033 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,0,1,0,0,0|2,0,0]=4 2034 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,0,1,0,0,0|2,0,0]=4 2035 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,0,1,0,0,0|2,0,0]=4 2036 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,0,1,0,0,0|2,0,0]=4 2037 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,0,1,0,0,0|2,0,0]=4 2038 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,0,1,0,0,0|2,0,0]=4 2039 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,0,1,0,0,0|2,0,0]=4 2040 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,0,1,0,0,0|2,0,0]=4 2041 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,0,1,0,0,0|2,0,0]=4 2042 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,0,1,0,0,0|2,0,0]=4 2043 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,0,1,0,0,0|2,0,0]=4 2044 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,0,1,0,0,0|2,0,0]=4 2045 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,0,1,0,0,0|2,0,0]=4 2046 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,0,1,0,0,0|2,0,0]=4 2047 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,0,1,0,0,0|2,0,0]=4 2048 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,0,1,0,0,0|2,0,0]=4 2049 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,0,1,0,0,0|2,0,0]=4 2050 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,0,1,0,0,0|2,0,0]=4 2051 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,0,1,0,0,0|2,0,0]=4 2052 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,0,1,0,0,0|2,0,0]=4 2053 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,0,1,0,0,0|2,0,0]=4 2054 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,0,1,0,0,0|2,0,0]=4 2055 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,0,1,0,0,0|2,0,0]=4 2056 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,0,1,0,0,0|2,0,0]=4 2057 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,0,1,0,0,0|2,0,0]=4 2058 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,0,1,0,0,0|2,0,0]=4 2059 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,0,1,0,0,0|2,0,0]=4 2060 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,0,1,0,0,0|2,0,0]=4 2061 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,0,1,0,0,0|2,0,0]=4 2062 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,0,1,0,0,0|2,0,0]=4 2063 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,0,1,0,0,0|2,0,0]=4 2064 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,0,1,0,0,0|2,0,0]=4 2065 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,0,1,0,0,0|2,0,0]=4 2066 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,0,1,0,0,0|2,0,0]=4 2067 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,0,1,0,0,0|2,0,0]=4 2068 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,0,1,0,0,0|2,0,0]=4 2069 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [1,0,1,0,0,0|2,0,0]=4 2070 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [1,0,1,0,0,0|2,0,0]=4 2071 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,0,1,0,0,0|2,0,0]=4 2072 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,0,1,0,0,0|2,0,0]=4 2073 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,0,1,0,0,0|2,0,0]=4 2074 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,0,1,0,0,0|2,0,0]=4 2075 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,0,1,0,0,0|2,0,0]=4 2076 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,0,1,0,0,0|2,0,0]=4 2077 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,0,1,0,0,0|2,0,0]=4 2078 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,0,1,0,0,0|2,0,0]=4 2079 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,0,1,0,0,0|2,0,0]=4 2080 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,0,1,0,0,0|2,0,0]=4 2081 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,0,1,0,0,0|2,0,0]=4 2082 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,0,1,0,0,0|2,0,0]=4 2083 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,0,1,0,0,0|2,0,0]=4 2084 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [2,0,0,0,0,0|2,0,0]=4 2085 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [2,0,0,0,0,0|2,0,0]=4 2086 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [2,0,0,0,0,0|2,0,0]=4 2087 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [2,0,0,0,0,0|2,0,0]=4 2088 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [2,0,0,0,0,0|2,0,0]=4 2089 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [2,0,0,0,0,0|2,0,0]=4 2090 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [2,0,0,0,0,0|1,0,1]=4 2091 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [2,0,0,0,0,0|1,0,1]=4 2092 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [2,0,0,0,0,0|1,0,1]=4 2093 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [2,0,0,0,0,0|1,0,1]=4 2094 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [2,0,0,0,0,0|1,0,1]=4 2095 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [2,0,0,0,0,0|1,0,1]=4 2096 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [2,0,0,0,0,0|1,0,1]=4 2097 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [2,0,0,0,0,0|1,0,1]=4 2098 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [2,0,0,0,0,0|1,0,1]=4 2099 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [2,0,0,0,0,0|1,0,1]=4 2100 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [2,0,0,0,0,0|1,0,1]=4 2101 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [2,0,0,0,0,0|1,0,1]=4 2102 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [2,0,0,0,0,0|1,0,1]=4 2103 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [2,0,0,0,0,0|1,0,1]=4 2104 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [2,0,0,0,0,0|1,0,1]=4 2105 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,1,0,0,0|1,0,1]=4 2106 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,1,1,0,0,0|1,0,1]=4 2107 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,1,1,0,0,0|1,0,1]=4 2108 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,1,1,0,0,0|2,0,0]=4 2109 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,1,1,0,0,0|1,0,0]=3 2110 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,1,1,0,0,0|2,0,0]=4 2111 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,1,1,0,0,0|2,0,0]=4 2112 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,1,1,0,0,0|2,0,0]=4 2113 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,1,1,0,0,0|1,0,1]=4 2114 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,1,1,0,0,0|2,0,0]=4 2115 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,1,1,0,0,0|2,0,0]=4 2116 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,1,1,0,0,0|1,0,1]=4 2117 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,1,1,0,0,0|1,0,1]=4 2118 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,1,1,0,0,0|2,0,0]=4 2119 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [0,1,1,0,0,0|2,0,0]=4 2120 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,1,1,0,0,0|2,0,0]=4 2121 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,1,1,0,0,0|2,0,0]=4 2122 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,1,1,0,0,0|2,0,0]=4 2123 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,1,1,0,0,0|2,0,0]=4 2124 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,1,1,0,0,0|2,0,0]=4 2125 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,1,1,0,0,0|2,0,0]=4 2126 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,1,1,0,0,0|2,0,0]=4 2127 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,1,1,0,0,0|2,0,0]=4 2128 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,1,1,0,0,0|2,0,0]=4 2129 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,1,1,0,0,0|2,0,0]=4 2130 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,1,1,0,0,0|2,0,0]=4 2131 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,1,1,0,0,0|2,0,0]=4 2132 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [0,1,1,0,0,0|2,0,0]=4 2133 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,1,1,0,0,0|1,0,0]=3 2134 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,1,1,0,0,0|2,0,0]=4 2135 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,1,1,0,0,0|1,0,1]=4 2136 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,1,1,0,0,0|1,0,1]=4 2137 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,1,1,0,0,0|2,0,0]=4 2138 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,1,1,0,0,0|2,0,0]=4 2139 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,1,1,0,0,0|2,0,0]=4 2140 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [0,1,1,0,0,0|2,0,0]=4 2141 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,1,1,0,0,0|2,0,0]=4 2142 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,1,1,0,0,0|1,0,1]=4 2143 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,1,1,0,0,0|1,0,1]=4 2144 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,1,1,0,0,0|1,0,1]=4 2145 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,1,1,0,0,0|0,0,2]=4 2146 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,1,1,0,0,0|2,0,0]=4 2147 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,1,1,0,0,0|2,0,0]=4 2148 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,1,1,0,0,0|2,0,0]=4 2149 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,1,1,0,0,0|2,0,0]=4 2150 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,1,1,0,0,0|2,0,0]=4 2151 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,1,1,0,0,0|2,0,0]=4 2152 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,1,1,0,0,0|2,0,0]=4 2153 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,1,1,0,0,0|2,0,0]=4 2154 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,1,0,0,0|2,0,0]=4 2155 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,1,0,0,0|2,0,0]=4 2156 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,1,0,0,0|2,0,0]=4 2157 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,1,1,0,0,0|2,0,0]=4 2158 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,1,1,0,0,0|2,0,0]=4 2159 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,1,1,0,0,0|2,0,0]=4 2160 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,1,1,0,0,0|2,0,0]=4 2161 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,1,1,0,0,0|2,0,0]=4 2162 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,1,1,0,0,0|2,0,0]=4 2163 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,1,1,0,0,0|2,0,0]=4 2164 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,1,1,0,0,0|2,0,0]=4 2165 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,1,1,0,0,0|1,0,1]=4 2166 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,1,1,0,0,0|1,0,1]=4 2167 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,1,1,0,0,0|1,0,1]=4 2168 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,1,1,0,0,0|0,0,2]=4 2169 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,1,1,0,0,0|1,0,1]=4 2170 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,1,0,0,0|1,0,0]=3 2171 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,1,0,0,0|1,0,0]=3 2172 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,1,1,0,0,0|2,0,0]=4 2173 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,1,0,0,0|2,0,0]=4 2174 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,1,1,0,0,0|2,0,0]=4 2175 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,1,1,0,0,0|2,0,0]=4 2176 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,1,1,0,0,0|2,0,0]=4 2177 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,1,1,0,0,0|2,0,0]=4 2178 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,1,0,0,0|2,0,0]=4 2179 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,1,0,0,0|2,0,0]=4 2180 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,1,0,0,0|2,0,0]=4 2181 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,1,0,0,0|2,0,0]=4 2182 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,1,0,0,0|2,0,0]=4 2183 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,1,0,0,0|2,0,0]=4 2184 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,1,0,0,0|2,0,0]=4 2185 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,1,0,0,0|2,0,0]=4 2186 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,1,0,0,0|2,0,0]=4 2187 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,1,0,0,0|2,0,0]=4 2188 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,1,0,0,0|2,0,0]=4 2189 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,1,0,0,0|2,0,0]=4 2190 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,1,0,0,0|2,0,0]=4 2191 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,1,0,0,0|2,0,0]=4 2192 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,1,0,0,0|2,0,0]=4 2193 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,1,1,0,0,0|2,0,0]=4 2194 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,1,1,0,0,0|2,0,0]=4 2195 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,1,1,0,0,0|2,0,0]=4 2196 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,1,1,0,0,0|2,0,0]=4 2197 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,1,1,0,0,0|2,0,0]=4 2198 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,1,1,0,0,0|2,0,0]=4 2199 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,1,1,0,0,0|2,0,0]=4 2200 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,1,1,0,0,0|2,0,0]=4 2201 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,1,1,0,0,0|2,0,0]=4 2202 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,1,1,0,0,0|2,0,0]=4 2203 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,1,0,0,0|2,0,0]=4 2204 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,1,0,0,0|2,0,0]=4 2205 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,1,0,0,0|2,0,0]=4 2206 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,1,0,0,0|2,0,0]=4 2207 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,1,1,0,0,0|2,0,0]=4 2208 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,1,1,0,0,0|2,0,0]=4 2209 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,1,1,0,0,0|2,0,0]=4 2210 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,1,1,0,0,0|2,0,0]=4 2211 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,1,1,0,0,0|0,0,2]=4 2212 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,1,0,0,0|1,0,1]=4 2213 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,1,0,0,0|1,0,1]=4 2214 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,1,1,0,0,0|1,0,1]=4 2215 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,1,0,0,0|1,0,1]=4 2216 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,1,0,0,0|1,0,1]=4 2217 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,1,0,0,0|1,0,0]=3 2218 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,1,0,0,0|1,0,0]=3 2219 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,1,0,0,0|1,0,0]=3 2220 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,1,0,0,0|1,0,0]=3 2221 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,1,0,0,0|1,0,0]=3 2222 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,1,0,0,0|1,0,0]=3 2223 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,1,0,0,0|1,0,0]=3 2224 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,1,1,0,0,0|1,0,0]=3 2225 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,1,1,0,0,0|1,0,0]=3 2226 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,1,1,0,0,0|0,0,0]=2 2227 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,1,1,0,0,0|1,0,1]=4 2228 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,1,1,0,0,0|1,0,1]=4 2229 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,1,1,0,0,0|1,0,1]=4 2230 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,1,1,0,0,0|1,0,1]=4 2231 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,1,0,0,0|1,0,0]=3 2232 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,1,0,0,0|1,0,0]=3 2233 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,1,0,0,0|1,0,0]=3 2234 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,1,0,0,0|0,0,1]=3 2235 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,1,1,0,0,0|1,0,1]=4 2236 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,1,1,0,0,0|1,0,1]=4 2237 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,1,1,0,0,0|1,0,1]=4 2238 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,1,1,0,0,0|1,0,1]=4 2239 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,1,1,0,0,0|1,0,1]=4 2240 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,1,1,0,0,0|1,0,0]=3 2241 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,1,1,0,0,0|1,0,0]=3 2242 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,1,1,0,0,0|0,0,1]=3 2243 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,1,1,0,0,0|0,0,1]=3 2244 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,1,1,0,0,0|1,0,1]=4 2245 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,1,1,0,0,0|1,0,1]=4 2246 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,1,1,0,0,0|1,0,1]=4 2247 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,1,1,0,0,0|1,0,1]=4 2248 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,1,1,0,0,0|1,0,1]=4 2249 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,1,1,0,0,0|1,0,0]=3 2250 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,1,1,0,0,0|1,0,1]=4 2251 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,1,1,0,0,0|1,0,1]=4 2252 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,1,1,0,0,0|1,0,0]=3 2253 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,1,0,0,0|1,0,0]=3 2254 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,1,0,0,0|1,0,0]=3 2255 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,1,0,0,0|1,0,0]=3 2256 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,1,1,0,0,0|1,0,0]=3 2257 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,1,1,0,0,0|1,0,0]=3 2258 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,1,1,0,0,0|1,0,0]=3 2259 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,1,1,0,0,0|1,0,0]=3 2260 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,1,1,0,0,0|1,0,1]=4 2261 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,1,1,0,0,0|1,0,1]=4 2262 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,1,0,0,0|2,0,0]=4 2263 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,1,0,0,0|1,0,0]=3 2264 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,1,0,0,0|1,0,0]=3 2265 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,1,1,0,0,0|1,0,0]=3 2266 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,1,1,0,0,0|1,0,0]=3 2267 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,1,1,0,0,0|1,0,1]=4 2268 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,1,1,0,0,0|1,0,1]=4 2269 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,1,0,0,0|2,0,0]=4 2270 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,1,0,0,0|2,0,0]=4 2271 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,1,0,0,0|1,0,0]=3 2272 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,1,1,0,0,0|1,0,0]=3 2273 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,1,1,0,0,0|1,0,0]=3 2274 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,1,1,0,0,0|1,0,1]=4 2275 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,1,1,0,0,0|1,0,1]=4 2276 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,1,1,0,0,0|2,0,0]=4 2277 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,1,0,0,0|2,0,0]=4 2278 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,1,0,0,0|2,0,0]=4 2279 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,1,0,0,0|2,0,0]=4 2280 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,1,1,0,0,0|2,0,0]=4 2281 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,1,1,0,0,0|2,0,0]=4 2282 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,1,1,0,0,0|2,0,0]=4 2283 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,1,0,0,0|2,0,0]=4 2284 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,1,1,0,0,0|2,0,0]=4 2285 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,1,0,0,0|1,0,0]=3 2286 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,1,0,0,0|1,0,0]=3 2287 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,1,0,0,0|1,0,0]=3 2288 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,1,0,0,0|1,0,0]=3 2289 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,1,0,0,0|1,0,0]=3 2290 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,1,0,0,0|1,0,0]=3 2291 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,1,1,0,0,0|1,0,1]=4 2292 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,1,1,0,0,0|1,0,1]=4 2293 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,1,1,0,0,0|1,0,1]=4 2294 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,1,0,0,0|2,0,0]=4 2295 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,1,0,0,0|2,0,0]=4 2296 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,1,1,0,0,0|2,0,0]=4 2297 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,1,1,0,0,0|2,0,0]=4 2298 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,1,0,0,0|2,0,0]=4 2299 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,1,0,0,0|2,0,0]=4 2300 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,1,1,0,0,0|2,0,0]=4 2301 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,1,1,0,0,0|2,0,0]=4 2302 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,1,1,0,0,0|2,0,0]=4 2303 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,1,1,0,0,0|2,0,0]=4 2304 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,1,1,0,0,0|1,0,0]=3 2305 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,1,0,0,0|2,0,0]=4 2306 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,1,1,0,0,0|2,0,0]=4 2307 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,1,1,0,0,0|2,0,0]=4 2308 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,1,1,0,0,0|1,0,1]=4 2309 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,1,1,0,0,0|1,0,1]=4 2310 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,1,0,0,0|1,0,0]=3 2311 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,1,0,0,0|1,0,0]=3 2312 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,1,1,0,0,0|1,0,0]=3 2313 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,1,1,0,0,0|1,0,0]=3 2314 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,1,1,0,0,0|1,0,1]=4 2315 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,1,1,0,0,0|1,0,1]=4 2316 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,1,0,0,0|2,0,0]=4 2317 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,1,0,0,0|2,0,0]=4 2318 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,1,0,0,0|2,0,0]=4 2319 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,1,0,0,0|2,0,0]=4 2320 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,1,0,0,0|2,0,0]=4 2321 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,1,0,0,0|2,0,0]=4 2322 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,1,1,0,0,0|2,0,0]=4 2323 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,1,1,0,0,0|2,0,0]=4 2324 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,1,0,0,0|2,0,0]=4 2325 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,1,0,0,0|2,0,0]=4 2326 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,1,1,0,0,0|2,0,0]=4 2327 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,1,1,0,0,0|2,0,0]=4 2328 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,1,1,0,0,0|1,0,0]=3 2329 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,1,0,0,0|2,0,0]=4 2330 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,1,0,0,0|1,0,0]=3 2331 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,1,1,0,0,0|1,0,1]=4 2332 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,1,0,0,0|1,0,0]=3 2333 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,1,1,0,0,0|1,0,0]=3 2334 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,1,1,0,0,0|1,0,0]=3 2335 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,1,1,0,0,0|1,0,1]=4 2336 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,1,1,0,0,0|1,0,1]=4 2337 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,1,0,0,0|2,0,0]=4 2338 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,1,0,0,0|2,0,0]=4 2339 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,1,0,0,0|2,0,0]=4 2340 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,1,0,0,0|2,0,0]=4 2341 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,1,0,0,0|2,0,0]=4 2342 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,1,0,0,0|2,0,0]=4 2343 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,1,1,0,0,0|2,0,0]=4 2344 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,1,1,0,0,0|2,0,0]=4 2345 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,1,1,0,0,0|2,0,0]=4 2346 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,1,1,0,0,0|1,0,0]=3 2347 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,1,1,0,0,0|1,0,1]=4 2348 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,1,0,0,0|2,0,0]=4 2349 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,1,1,0,0,0|2,0,0]=4 2350 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,1,1,0,0,0|2,0,0]=4 2351 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,1,1,0,0,0|2,0,0]=4 2352 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,1,1,0,0,0|1,0,1]=4 2353 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,1,1,0,0,0|2,0,0]=4 2354 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,1,1,0,0,0|2,0,0]=4 2355 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,1,1,0,0,0|1,0,1]=4 2356 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,1,1,0,0,0|1,0,1]=4 2357 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,1,1,0,0,0|1,0,1]=4 2358 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,1,1,0,0,0|1,0,1]=4 2359 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,1,0,0,0|1,0,0]=3 2360 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,1,0,0,0|1,0,0]=3 2361 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,1,0,0,0|2,0,0]=4 2362 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,1,0,0,0|2,0,0]=4 2363 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,1,0,0,0|2,0,0]=4 2364 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,1,0,0,0|2,0,0]=4 2365 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,1,1,0,0,0|2,0,0]=4 2366 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,1,1,0,0,0|2,0,0]=4 2367 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,1,1,0,0,0|2,0,0]=4 2368 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,1,1,0,0,0|2,0,0]=4 2369 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,1,1,0,0,0|2,0,0]=4 2370 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,1,1,0,0,0|1,0,1]=4 2371 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,1,1,0,0,0|1,0,1]=4 2372 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,1,1,0,0,0|1,0,0]=3 2373 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,1,0,0,0|2,0,0]=4 2374 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,1,0,0,0|2,0,0]=4 2375 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,1,0,0,0|2,0,0]=4 2376 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,1,1,0,0,0|1,0,1]=4 2377 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,1,1,0,0,0|1,0,0]=3 2378 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,1,1,0,0,0|1,0,0]=3 2379 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,1,1,0,0,0|1,0,0]=3 2380 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,1,1,0,0,0|0,0,1]=3 2381 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,1,0,0,0|2,0,0]=4 2382 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,1,0,0,0|2,0,0]=4 2383 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,1,0,0,0|2,0,0]=4 2384 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,1,0,0,0|2,0,0]=4 2385 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,1,1,0,0,0|2,0,0]=4 2386 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,1,1,0,0,0|2,0,0]=4 2387 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,1,1,0,0,0|2,0,0]=4 2388 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,1,1,0,0,0|1,0,0]=3 2389 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,1,1,0,0,0|1,0,1]=4 2390 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,1,0,0,0|2,0,0]=4 2391 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,1,1,0,0,0|2,0,0]=4 2392 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,1,1,0,0,0|2,0,0]=4 2393 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,1,1,0,0,0|1,0,1]=4 2394 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,1,1,0,0,0|2,0,0]=4 2395 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,1,1,0,0,0|2,0,0]=4 2396 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,1,1,0,0,0|1,0,1]=4 2397 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,1,1,0,0,0|1,0,1]=4 2398 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,1,1,0,0,0|2,0,0]=4 2399 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,1,1,0,0,0|2,0,0]=4 2400 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,1,1,0,0,0|2,0,0]=4 2401 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,1,1,0,0,0|2,0,0]=4 2402 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,1,1,0,0,0|2,0,0]=4 2403 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,1,1,0,0,0|2,0,0]=4 2404 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,1,1,0,0,0|2,0,0]=4 2405 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,1,1,0,0,0|2,0,0]=4 2406 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,1,1,0,0,0|2,0,0]=4 2407 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,1,1,0,0,0|2,0,0]=4 2408 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,1,1,0,0,0|2,0,0]=4 2409 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,1,1,0,0,0|2,0,0]=4 2410 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,1,1,0,0,0|2,0,0]=4 2411 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,1,1,0,0,0|2,0,0]=4 2412 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,1,1,0,0,0|2,0,0]=4 2413 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,1,0,0,0|2,0,0]=4 2414 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,1,0,0,0|2,0,0]=4 2415 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,1,1,0,0,0|2,0,0]=4 2416 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,1,1,0,0,0|2,0,0]=4 2417 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,1,1,0,0,0|1,0,1]=4 2418 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,1,1,0,0,0|1,0,1]=4 2419 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,1,1,0,0,0|1,0,0]=3 2420 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,1,1,0,0,0|1,0,0]=3 2421 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,1,0,0,0|2,0,0]=4 2422 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,1,0,0,0|2,0,0]=4 2423 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,1,0,0,0|2,0,0]=4 2424 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,1,0,0,0|2,0,0]=4 2425 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,1,1,0,0,0|2,0,0]=4 2426 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,1,1,0,0,0|2,0,0]=4 2427 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,1,1,0,0,0|1,0,1]=4 2428 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,1,1,0,0,0|2,0,0]=4 2429 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,1,1,0,0,0|2,0,0]=4 2430 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,1,1,0,0,0|2,0,0]=4 2431 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,1,1,0,0,0|2,0,0]=4 2432 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,1,1,0,0,0|2,0,0]=4 2433 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,1,1,0,0,0|2,0,0]=4 2434 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,1,1,0,0,0|2,0,0]=4 2435 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,1,1,0,0,0|2,0,0]=4 2436 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,1,1,0,0,0|2,0,0]=4 2437 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,1,1,0,0,0|2,0,0]=4 2438 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,1,1,0,0,0|2,0,0]=4 2439 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,1,1,0,0,0|2,0,0]=4 2440 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,1,1,0,0,0|2,0,0]=4 2441 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,1,1,0,0,0|1,0,1]=4 2442 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,1,1,0,0,0|1,0,1]=4 2443 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,1,1,0,0,0|1,0,1]=4 2444 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,1,1,0,0,0|2,0,0]=4 2445 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,1,1,0,0,0|2,0,0]=4 2446 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,1,1,0,0,0|2,0,0]=4 2447 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,1,1,0,0,0|2,0,0]=4 2448 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,1,1,0,0,0|2,0,0]=4 2449 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,1,1,0,0,0|2,0,0]=4 2450 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,1,1,0,0,0|1,0,1]=4 2451 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,1,0,0,0|1,0,0]=3 2452 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,1,1,0,0,0|2,0,0]=4 2453 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,1,1,0,0,0|2,0,0]=4 2454 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,1,1,0,0,0|2,0,0]=4 2455 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,1,1,0,0,0|2,0,0]=4 2456 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,1,1,0,0,0|2,0,0]=4 2457 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,1,1,0,0,0|2,0,0]=4 2458 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,1,1,0,0,0|1,0,0]=3 2459 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,1,1,0,0,0|2,0,0]=4 2460 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,1,1,0,0,0|2,0,0]=4 2461 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,1,1,0,0,0|1,0,1]=4 2462 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,1,1,0,0,0|2,0,0]=4 2463 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,1,1,0,0,0|2,0,0]=4 2464 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,1,1,0,0,0|1,0,1]=4 2465 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,1,1,0,0,0|1,0,1]=4 2466 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,1,1,0,0,0|2,0,0]=4 2467 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,1,1,0,0,0|2,0,0]=4 2468 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,1,1,0,0,0|2,0,0]=4 2469 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,1,1,0,0,0|2,0,0]=4 2470 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,1,1,0,0,0|2,0,0]=4 2471 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,1,1,0,0,0|2,0,0]=4 2472 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,1,1,0,0,0|2,0,0]=4 2473 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,1,1,0,0,0|2,0,0]=4 2474 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,1,1,0,0,0|2,0,0]=4 2475 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,1,1,0,0,0|2,0,0]=4 2476 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,1,1,0,0,0|2,0,0]=4 2477 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,1,1,0,0,0|2,0,0]=4 2478 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,1,1,0,0,0|2,0,0]=4 2479 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,1,1,0,0,0|2,0,0]=4 2480 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,1,1,0,0,0|2,0,0]=4 2481 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,1,1,0,0,0|2,0,0]=4 2482 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,1,1,0,0,0|2,0,0]=4 2483 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,1,1,0,0,0|2,0,0]=4 2484 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,1,1,0,0,0|2,0,0]=4 2485 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,1,1,0,0,0|2,0,0]=4 2486 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,1,1,0,0,0|2,0,0]=4 2487 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,1,1,0,0,0|2,0,0]=4 2488 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,1,1,0,0,0|2,0,0]=4 2489 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,1,1,0,0,0|2,0,0]=4 2490 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,1,1,0,0,0|2,0,0]=4 2491 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,1,1,0,0,0|1,0,1]=4 2492 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,1,1,0,0,0|1,0,1]=4 2493 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,1,1,0,0,0|2,0,0]=4 2494 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,1,1,0,0,0|2,0,0]=4 2495 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,1,1,0,0,0|2,0,0]=4 2496 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,1,1,0,0,0|2,0,0]=4 2497 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,1,1,0,0,0|1,0,1]=4 2498 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,1,1,0,0,0|2,0,0]=4 2499 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,1,1,0,0,0|2,0,0]=4 2500 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,1,1,0,0,0|2,0,0]=4 2501 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,1,1,0,0,0|2,0,0]=4 2502 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,1,1,0,0,0|2,0,0]=4 2503 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,1,1,0,0,0|2,0,0]=4 2504 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,1,1,0,0,0|2,0,0]=4 2505 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,1,1,0,0,0|2,0,0]=4 2506 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,1,1,0,0,0|2,0,0]=4 2507 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,1,1,0,0,0|2,0,0]=4 2508 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,1,1,0,0,0|2,0,0]=4 2509 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,1,1,0,0,0|2,0,0]=4 2510 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,1,1,0,0,0|2,0,0]=4 2511 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,1,1,0,0,0|2,0,0]=4 2512 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,1,1,0,0,0|2,0,0]=4 2513 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,1,1,0,0,0|2,0,0]=4 2514 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,1,1,0,0,0|2,0,0]=4 2515 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,1,1,0,0,0|2,0,0]=4 2516 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,1,1,0,0,0|2,0,0]=4 2517 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,1,1,0,0,0|2,0,0]=4 2518 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,1,1,0,0,0|1,0,1]=4 2519 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,1,1,0,0,0|2,0,0]=4 2520 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,1,1,0,0,0|2,0,0]=4 2521 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,1,1,0,0,0|2,0,0]=4 2522 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,1,1,0,0,0|2,0,0]=4 2523 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,1,1,0,0,0|2,0,0]=4 2524 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,1,1,0,0,0|2,0,0]=4 2525 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,1,1,0,0,0|2,0,0]=4 2526 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,1,1,0,0,0|2,0,0]=4 2527 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,1,1,0,0,0|2,0,0]=4 2528 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,1,1,0,0,0|2,0,0]=4 2529 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,1,1,0,0,0|2,0,0]=4 2530 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,1,1,0,0,0|2,0,0]=4 2531 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,1,1,0,0,0|2,0,0]=4 2532 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,1,1,0,0,0|2,0,0]=4 2533 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,1,1,0,0,0|2,0,0]=4 2534 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,1,1,0,0,0|2,0,0]=4 2535 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,1,1,0,0,0|2,0,0]=4 2536 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,1,1,0,0,0|2,0,0]=4 2537 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,1,1,0,0,0|2,0,0]=4 2538 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,1,1,0,0,0|2,0,0]=4 2539 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,1,1,0,0,0|2,0,0]=4 2540 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,1,1,0,0,0|2,0,0]=4 2541 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,1,1,0,0,0|2,0,0]=4 2542 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,1,1,0,0,0|2,0,0]=4 2543 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,1,1,0,0,0|2,0,0]=4 2544 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,1,1,0,0,0|2,0,0]=4 2545 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,1,1,0,0,0|2,0,0]=4 2546 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,1,1,0,0,0|2,0,0]=4 2547 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,1,1,0,0,0|2,0,0]=4 2548 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,1,1,0,0,0|2,0,0]=4 2549 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,1,1,0,0,0|2,0,0]=4 2550 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,1,1,0,0,0|2,0,0]=4 2551 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,1,1,0,0,0|2,0,0]=4 2552 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,1,1,0,0,0|2,0,0]=4 2553 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,1,1,0,0,0|2,0,0]=4 2554 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,1,1,0,0,0|2,0,0]=4 2555 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,1,1,0,0,0|2,0,0]=4 2556 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,1,1,0,0,0|2,0,0]=4 2557 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,1,1,0,0,0|2,0,0]=4 2558 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,1,1,0,0,0|2,0,0]=4 2559 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,1,1,0,0,0|2,0,0]=4 2560 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,1,1,0,0,0|2,0,0]=4 2561 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,1,1,0,0,0|2,0,0]=4 2562 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,1,1,0,0,0|2,0,0]=4 2563 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,1,1,0,0,0|2,0,0]=4 2564 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,1,1,0,0,0|2,0,0]=4 2565 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,1,1,0,0,0|2,0,0]=4 2566 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,1,1,0,0,0|2,0,0]=4 2567 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,1,1,0,0,0|2,0,0]=4 2568 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,1,1,0,0,0|2,0,0]=4 2569 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,1,1,0,0,0|2,0,0]=4 2570 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,1,1,0,0,0|1,0,1]=4 2571 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,1,1,0,0,0|2,0,0]=4 2572 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,1,1,0,0,0|2,0,0]=4 2573 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,1,1,0,0,0|1,0,0]=3 2574 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,1,1,0,0,0|1,0,0]=3 2575 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,1,1,0,0,0|2,0,0]=4 2576 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,1,1,0,0,0|2,0,0]=4 2577 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,1,1,0,0,0|2,0,0]=4 2578 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,1,1,0,0,0|2,0,0]=4 2579 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,1,1,0,0,0|2,0,0]=4 2580 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,1,1,0,0,0|1,0,1]=4 2581 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,1,1,0,0,0|1,0,1]=4 2582 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,1,1,0,0,0|1,0,1]=4 2583 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,1,1,0,0,0|1,0,1]=4 2584 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,1,1,0,0,0|1,0,1]=4 2585 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,1,1,0,0,0|1,0,1]=4 2586 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,1,1,0,0,0|1,0,1]=4 2587 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,1,1,0,0,0|1,0,1]=4 2588 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,1,1,0,0,0|1,0,1]=4 2589 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,1,1,0,0,0|1,0,1]=4 2590 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,1,0,0,0|1,0,0]=3 2591 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,1,1,0,0,0|1,0,1]=4 2592 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,1,1,0,0,0|1,0,1]=4 2593 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,1,1,0,0,0|1,0,1]=4 2594 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,1,1,0,0,0|1,0,1]=4 2595 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,1,1,0,0,0|1,0,1]=4 2596 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,1,1,0,0,0|0,0,2]=4 2597 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,1,0,0,0|2,0,0]=4 2598 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,1,0,0,0|2,0,0]=4 2599 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,1,0,0,0|2,0,0]=4 2600 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,1,0,0,0|2,0,0]=4 2601 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,1,1,0,0,0|2,0,0]=4 2602 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,1,1,0,0,0|2,0,0]=4 2603 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,1,1,0,0,0|2,0,0]=4 2604 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,1,1,0,0,0|1,0,0]=3 2605 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,1,1,0,0,0|1,0,1]=4 2606 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,1,1,0,0,0|1,0,0]=3 2607 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,1,1,0,0,0|2,0,0]=4 2608 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,1,1,0,0,0|2,0,0]=4 2609 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,1,1,0,0,0|2,0,0]=4 2610 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,1,1,0,0,0|2,0,0]=4 2611 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,1,1,0,0,0|2,0,0]=4 2612 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,1,1,0,0,0|2,0,0]=4 2613 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,1,1,0,0,0|2,0,0]=4 2614 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,1,1,0,0,0|2,0,0]=4 2615 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,1,1,0,0,0|2,0,0]=4 2616 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,1,1,0,0,0|1,0,1]=4 2617 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,1,1,0,0,0|2,0,0]=4 2618 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,1,1,0,0,0|2,0,0]=4 2619 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [0,1,1,0,0,0|2,0,0]=4 2620 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [0,1,1,0,0,0|2,0,0]=4 2621 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,1,1,0,0,0|2,0,0]=4 2622 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,1,1,0,0,0|2,0,0]=4 2623 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [0,1,1,0,0,0|2,0,0]=4 2624 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [0,1,1,0,0,0|2,0,0]=4 2625 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,1,1,0,0,0|2,0,0]=4 2626 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,1,1,0,0,0|2,0,0]=4 2627 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [0,1,1,0,0,0|2,0,0]=4 2628 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [0,1,1,0,0,0|2,0,0]=4 2629 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [0,1,1,0,0,0|2,0,0]=4 2630 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,1,1,0,0,0|2,0,0]=4 2631 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,1,1,0,0,0|2,0,0]=4 2632 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,1,1,0,0,0|2,0,0]=4 2633 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,1,1,0,0,0|2,0,0]=4 2634 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,1,1,0,0,0|2,0,0]=4 2635 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,1,1,0,0,0|2,0,0]=4 2636 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [0,1,1,0,0,0|2,0,0]=4 2637 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [0,1,1,0,0,0|2,0,0]=4 2638 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [0,1,1,0,0,0|2,0,0]=4 2639 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [0,1,1,0,0,0|2,0,0]=4 2640 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,1,1,0,0,0|2,0,0]=4 2641 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,1,1,0,0,0|2,0,0]=4 2642 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [0,1,1,0,0,0|2,0,0]=4 2643 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [0,1,1,0,0,0|2,0,0]=4 2644 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,1,1,0,0,0|2,0,0]=4 2645 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,1,1,0,0,0|2,0,0]=4 2646 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [0,1,1,0,0,0|2,0,0]=4 2647 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [0,1,1,0,0,0|2,0,0]=4 2648 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,1,1,0,0,0|2,0,0]=4 2649 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [0,1,1,0,0,0|2,0,0]=4 2650 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,1,1,0,0,0|2,0,0]=4 2651 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,1,1,0,0,0|2,0,0]=4 2652 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,1,1,0,0,0|2,0,0]=4 2653 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [0,1,1,0,0,0|2,0,0]=4 2654 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [0,1,1,0,0,0|2,0,0]=4 2655 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [0,1,1,0,0,0|2,0,0]=4 2656 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,1,1,0,0,0|2,0,0]=4 2657 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,1,1,0,0,0|2,0,0]=4 2658 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [0,1,1,0,0,0|2,0,0]=4 2659 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [0,1,1,0,0,0|2,0,0]=4 2660 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,1,1,0,0,0|1,0,0]=3 2661 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,1,1,0,0,0|2,0,0]=4 2662 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,1,1,0,0,0|2,0,0]=4 2663 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,1,1,0,0,0|2,0,0]=4 2664 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,1,1,0,0,0|0,0,2]=4 2665 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,1,1,0,0,0|1,0,0]=3 2666 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,1,1,0,0,0|2,0,0]=4 2667 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,1,1,0,0,0|2,0,0]=4 2668 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,1,1,0,0,0|2,0,0]=4 2669 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,1,1,0,0,0|2,0,0]=4 2670 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,1,1,0,0,0|2,0,0]=4 2671 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,1,1,0,0,0|0,0,2]=4 2672 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,1,0,0,0|2,0,0]=4 2673 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,1,0,0,0|2,0,0]=4 2674 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,1,0,0,0|2,0,0]=4 2675 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,1,0,0,0|2,0,0]=4 2676 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,1,0,0,0|1,0,0]=3 2677 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,1,0,0,0|1,0,0]=3 2678 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,1,0,0,0|1,0,0]=3 2679 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,1,0,0,0|0,0,0]=2 2680 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,1,0,0,0|1,0,0]=3 2681 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,1,0,0,0|1,0,0]=3 2682 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,1,0,0,0|1,0,0]=3 2683 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,1,0,0,0|1,0,0]=3 2684 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,1,1,0,0,0|1,0,1]=4 2685 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,1,1,0,0,0|1,0,1]=4 2686 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,1,1,0,0,0|1,0,1]=4 2687 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,1,1,0,0,0|1,0,1]=4 2688 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,1,1,0,0,0|1,0,1]=4 2689 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2690 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2691 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2692 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,1,0,0,0|2,0,0]=4 2693 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,1,0,0,0|1,0,0]=3 2694 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,1,0,0,0|1,0,0]=3 2695 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,1,1,0,0,0|2,0,0]=4 2696 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,1,1,0,0,0|2,0,0]=4 2697 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,1,1,0,0,0|2,0,0]=4 2698 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,1,1,0,0,0|2,0,0]=4 2699 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,1,1,0,0,0|2,0,0]=4 2700 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,1,1,0,0,0|2,0,0]=4 2701 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,1,1,0,0,0|2,0,0]=4 2702 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,1,1,0,0,0|2,0,0]=4 2703 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,1,1,0,0,0|1,0,0]=3 2704 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,1,1,0,0,0|2,0,0]=4 2705 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,1,1,0,0,0|2,0,0]=4 2706 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,1,1,0,0,0|2,0,0]=4 2707 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,1,1,0,0,0|2,0,0]=4 2708 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,1,1,0,0,0|2,0,0]=4 2709 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,1,1,0,0,0|2,0,0]=4 2710 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,1,1,0,0,0|1,0,0]=3 2711 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,1,1,0,0,0|1,0,0]=3 2712 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,1,1,0,0,0|2,0,0]=4 2713 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,1,1,0,0,0|2,0,0]=4 2714 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,1,1,0,0,0|2,0,0]=4 2715 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,1,1,0,0,0|2,0,0]=4 2716 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,1,1,0,0,0|1,0,0]=3 2717 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,1,1,0,0,0|1,0,0]=3 2718 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,1,1,0,0,0|2,0,0]=4 2719 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,1,1,0,0,0|2,0,0]=4 2720 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,1,1,0,0,0|2,0,0]=4 2721 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,1,1,0,0,0|2,0,0]=4 2722 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,1,1,0,0,0|1,0,0]=3 2723 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,1,1,0,0,0|1,0,0]=3 2724 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,1,1,0,0,0|2,0,0]=4 2725 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,1,1,0,0,0|2,0,0]=4 2726 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,1,1,0,0,0|1,0,0]=3 2727 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,1,1,0,0,0|2,0,0]=4 2728 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,1,1,0,0,0|2,0,0]=4 2729 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,1,1,0,0,0|2,0,0]=4 2730 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,1,1,0,0,0|1,0,0]=3 2731 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,1,1,0,0,0|1,0,0]=3 2732 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,1,1,0,0,0|2,0,0]=4 2733 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,1,1,0,0,0|2,0,0]=4 2734 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,1,1,0,0,0|1,0,0]=3 2735 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,1,1,0,0,0|1,0,0]=3 2736 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,1,1,0,0,0|2,0,0]=4 2737 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,1,1,0,0,0|2,0,0]=4 2738 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,1,1,0,0,0|2,0,0]=4 2739 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,1,1,0,0,0|2,0,0]=4 2740 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,1,1,0,0,0|2,0,0]=4 2741 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,1,1,0,0,0|1,0,0]=3 2742 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,1,1,0,0,0|2,0,0]=4 2743 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,1,1,0,0,0|2,0,0]=4 2744 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,1,1,0,0,0|2,0,0]=4 2745 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,1,1,0,0,0|2,0,0]=4 2746 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,1,1,0,0,0|2,0,0]=4 2747 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,1,1,0,0,0|2,0,0]=4 2748 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,1,1,0,0,0|1,0,0]=3 2749 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,1,1,0,0,0|1,0,0]=3 2750 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,1,1,0,0,0|2,0,0]=4 2751 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,1,1,0,0,0|2,0,0]=4 2752 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,1,1,0,0,0|1,0,0]=3 2753 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,1,1,0,0,0|2,0,0]=4 2754 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,1,1,0,0,0|1,0,0]=3 2755 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,1,1,0,0,0|1,0,0]=3 2756 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,1,1,0,0,0|1,0,0]=3 2757 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,1,1,0,0,0|2,0,0]=4 2758 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,1,1,0,0,0|2,0,0]=4 2759 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,1,1,0,0,0|2,0,0]=4 2760 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,1,1,0,0,0|2,0,0]=4 2761 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,1,1,0,0,0|2,0,0]=4 2762 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,1,1,0,0,0|2,0,0]=4 2763 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,1,1,0,0,0|2,0,0]=4 2764 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,1,1,0,0,0|2,0,0]=4 2765 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,1,1,0,0,0|2,0,0]=4 2766 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,1,1,0,0,0|2,0,0]=4 2767 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,1,1,0,0,0|2,0,0]=4 2768 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,1,1,0,0,0|1,0,0]=3 2769 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,1,1,0,0,0|1,0,0]=3 2770 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,1,1,0,0,0|2,0,0]=4 2771 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,1,1,0,0,0|2,0,0]=4 2772 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,1,1,0,0,0|2,0,0]=4 2773 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,1,1,0,0,0|2,0,0]=4 2774 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,1,1,0,0,0|2,0,0]=4 2775 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,1,1,0,0,0|2,0,0]=4 2776 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,1,1,0,0,0|2,0,0]=4 2777 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,1,1,0,0,0|2,0,0]=4 2778 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,1,1,0,0,0|2,0,0]=4 2779 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,1,1,0,0,0|2,0,0]=4 2780 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,1,1,0,0,0|2,0,0]=4 2781 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,1,1,0,0,0|2,0,0]=4 2782 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,1,1,0,0,0|1,0,0]=3 2783 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,1,1,0,0,0|1,0,0]=3 2784 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,1,1,0,0,0|1,0,0]=3 2785 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,1,1,0,0,0|2,0,0]=4 2786 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,1,1,0,0,0|1,0,0]=3 2787 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,1,1,0,0,0|1,0,0]=3 2788 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,1,1,0,0,0|1,0,0]=3 2789 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,1,1,0,0,0|1,0,0]=3 2790 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,1,1,0,0,0|1,0,0]=3 2791 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,1,1,0,0,0|1,0,0]=3 2792 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,1,1,0,0,0|2,0,0]=4 2793 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,1,1,0,0,0|2,0,0]=4 2794 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,1,1,0,0,0|2,0,0]=4 2795 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,1,1,0,0,0|2,0,0]=4 2796 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,1,1,0,0,0|2,0,0]=4 2797 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,1,1,0,0,0|2,0,0]=4 2798 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,1,1,0,0,0|2,0,0]=4 2799 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,1,1,0,0,0|2,0,0]=4 2800 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,1,1,0,0,0|2,0,0]=4 2801 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,1,1,0,0,0|2,0,0]=4 2802 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,1,1,0,0,0|2,0,0]=4 2803 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,1,1,0,0,0|2,0,0]=4 2804 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,1,1,0,0,0|2,0,0]=4 2805 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,1,1,0,0,0|2,0,0]=4 2806 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,1,1,0,0,0|2,0,0]=4 2807 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,1,1,0,0,0|2,0,0]=4 2808 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,1,1,0,0,0|2,0,0]=4 2809 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,1,1,0,0,0|2,0,0]=4 2810 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,1,1,0,0,0|2,0,0]=4 2811 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,1,1,0,0,0|2,0,0]=4 2812 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,1,1,0,0,0|2,0,0]=4 2813 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,1,1,0,0,0|2,0,0]=4 2814 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,1,1,0,0,0|2,0,0]=4 2815 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,1,1,0,0,0|2,0,0]=4 2816 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,1,1,0,0,0|2,0,0]=4 2817 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,1,1,0,0,0|2,0,0]=4 2818 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,1,1,0,0,0|2,0,0]=4 2819 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,1,1,0,0,0|2,0,0]=4 2820 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,1,1,0,0,0|2,0,0]=4 2821 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,1,1,0,0,0|2,0,0]=4 2822 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,1,1,0,0,0|2,0,0]=4 2823 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,1,1,0,0,0|2,0,0]=4 2824 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,1,1,0,0,0|2,0,0]=4 2825 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,1,1,0,0,0|2,0,0]=4 2826 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,1,1,0,0,0|2,0,0]=4 2827 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,1,1,0,0,0|2,0,0]=4 2828 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,1,1,0,0,0|2,0,0]=4 2829 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,1,1,0,0,0|2,0,0]=4 2830 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,1,1,0,0,0|2,0,0]=4 2831 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,1,1,0,0,0|2,0,0]=4 2832 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,1,1,0,0,0|2,0,0]=4 2833 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,1,1,0,0,0|2,0,0]=4 2834 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,1,1,0,0,0|2,0,0]=4 2835 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,1,1,0,0,0|2,0,0]=4 2836 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,1,1,0,0,0|2,0,0]=4 2837 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,1,1,0,0,0|2,0,0]=4 2838 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,1,1,0,0,0|2,0,0]=4 2839 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,1,1,0,0,0|1,0,0]=3 2840 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,1,1,0,0,0|1,0,0]=3 2841 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,1,1,0,0,0|1,0,0]=3 2842 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,1,1,0,0,0|2,0,0]=4 2843 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,1,1,0,0,0|2,0,0]=4 2844 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,1,1,0,0,0|2,0,0]=4 2845 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,1,1,0,0,0|2,0,0]=4 2846 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,1,1,0,0,0|2,0,0]=4 2847 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,1,1,0,0,0|2,0,0]=4 2848 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,1,1,0,0,0|2,0,0]=4 2849 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,1,1,0,0,0|2,0,0]=4 2850 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,1,1,0,0,0|2,0,0]=4 2851 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,1,1,0,0,0|2,0,0]=4 2852 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,1,1,0,0,0|2,0,0]=4 2853 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,1,1,0,0,0|1,0,1]=4 2854 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,1,1,0,0,0|2,0,0]=4 2855 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,1,1,0,0,0|1,0,0]=3 2856 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,1,0,0,0|1,0,0]=3 2857 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,1,1,0,0,0|2,0,0]=4 2858 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,1,1,0,0,0|2,0,0]=4 2859 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,1,1,0,0,0|2,0,0]=4 2860 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,1,0,0,0|1,0,0]=3 2861 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,1,0,0,0|1,0,0]=3 2862 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,1,0,0,0|1,0,0]=3 2863 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,1,1,0,0,0|2,0,0]=4 2864 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,1,1,0,0,0|2,0,0]=4 2865 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,1,1,0,0,0|2,0,0]=4 2866 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,1,1,0,0,0|2,0,0]=4 2867 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,1,1,0,0,0|2,0,0]=4 2868 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,1,1,0,0,0|2,0,0]=4 2869 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,1,1,0,0,0|2,0,0]=4 2870 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,1,1,0,0,0|1,0,0]=3 2871 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,1,1,0,0,0|2,0,0]=4 2872 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,1,1,0,0,0|2,0,0]=4 2873 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,1,1,0,0,0|2,0,0]=4 2874 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,1,1,0,0,0|2,0,0]=4 2875 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,1,1,0,0,0|2,0,0]=4 2876 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,1,1,0,0,0|2,0,0]=4 2877 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,1,1,0,0,0|2,0,0]=4 2878 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,1,1,0,0,0|2,0,0]=4 2879 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,1,1,0,0,0|1,0,1]=4 2880 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,1,1,0,0,0|1,0,1]=4 2881 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,1,1,0,0,0|2,0,0]=4 2882 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,1,1,0,0,0|2,0,0]=4 2883 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,1,1,0,0,0|2,0,0]=4 2884 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,1,1,0,0,0|2,0,0]=4 2885 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,1,1,0,0,0|2,0,0]=4 2886 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,1,1,0,0,0|2,0,0]=4 2887 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,1,1,0,0,0|2,0,0]=4 2888 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,1,1,0,0,0|2,0,0]=4 2889 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,1,1,0,0,0|1,0,1]=4 2890 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,1,1,0,0,0|1,0,1]=4 2891 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,1,1,0,0,0|1,0,0]=3 2892 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,1,1,0,0,0|1,0,0]=3 2893 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,1,1,0,0,0|2,0,0]=4 2894 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,1,1,0,0,0|2,0,0]=4 2895 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,1,1,0,0,0|2,0,0]=4 2896 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,1,1,0,0,0|2,0,0]=4 2897 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,1,1,0,0,0|2,0,0]=4 2898 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,1,1,0,0,0|2,0,0]=4 2899 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,1,1,0,0,0|2,0,0]=4 2900 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,1,1,0,0,0|2,0,0]=4 2901 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,1,1,0,0,0|2,0,0]=4 2902 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,1,1,0,0,0|2,0,0]=4 2903 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,1,1,0,0,0|2,0,0]=4 2904 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,1,1,0,0,0|2,0,0]=4 2905 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,1,1,0,0,0|2,0,0]=4 2906 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,1,1,0,0,0|2,0,0]=4 2907 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,1,1,0,0,0|2,0,0]=4 2908 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,1,1,0,0,0|2,0,0]=4 2909 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,1,1,0,0,0|1,0,1]=4 2910 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,1,1,0,0,0|1,0,0]=3 2911 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,1,1,0,0,0|1,0,0]=3 2912 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,1,1,0,0,0|2,0,0]=4 2913 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,1,1,0,0,0|2,0,0]=4 2914 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,1,1,0,0,0|1,0,0]=3 2915 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,1,1,0,0,0|2,0,0]=4 2916 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,1,1,0,0,0|2,0,0]=4 2917 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,1,1,0,0,0|2,0,0]=4 2918 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,1,1,0,0,0|1,0,1]=4 2919 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,1,1,0,0,0|2,0,0]=4 2920 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,1,1,0,0,0|2,0,0]=4 2921 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,1,1,0,0,0|1,0,1]=4 2922 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,1,1,0,0,0|1,0,1]=4 2923 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,1,1,0,0,0|2,0,0]=4 2924 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [0,1,1,0,0,0|2,0,0]=4 2925 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [0,1,1,0,0,0|2,0,0]=4 2926 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [0,1,1,0,0,0|2,0,0]=4 2927 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,1,1,0,0,0|1,0,1]=4 2928 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,1,1,0,0,0|1,0,0]=3 2929 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,1,1,0,0,0|1,0,0]=3 2930 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,1,1,0,0,0|2,0,0]=4 2931 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,1,1,0,0,0|2,0,0]=4 2932 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,1,1,0,0,0|2,0,0]=4 2933 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,1,1,0,0,0|2,0,0]=4 2934 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,1,1,0,0,0|1,0,1]=4 2935 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,1,1,0,0,0|2,0,0]=4 2936 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,1,1,0,0,0|2,0,0]=4 2937 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,1,1,0,0,0|2,0,0]=4 2938 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,1,1,0,0,0|2,0,0]=4 2939 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,1,1,0,0,0|2,0,0]=4 2940 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,1,1,0,0,0|2,0,0]=4 2941 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,1,1,0,0,0|2,0,0]=4 2942 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,1,1,0,0,0|2,0,0]=4 2943 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,1,1,0,0,0|2,0,0]=4 2944 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,1,1,0,0,0|2,0,0]=4 2945 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,1,1,0,0,0|2,0,0]=4 2946 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,1,1,0,0,0|2,0,0]=4 2947 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,1,1,0,0,0|2,0,0]=4 2948 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,1,1,0,0,0|2,0,0]=4 2949 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,1,1,0,0,0|2,0,0]=4 2950 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,1,1,0,0,0|2,0,0]=4 2951 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,1,1,0,0,0|2,0,0]=4 2952 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,1,1,0,0,0|2,0,0]=4 2953 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,1,1,0,0,0|2,0,0]=4 2954 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,1,1,0,0,0|2,0,0]=4 2955 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,1,1,0,0,0|2,0,0]=4 2956 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,1,1,0,0,0|2,0,0]=4 2957 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,1,1,0,0,0|2,0,0]=4 2958 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,1,1,0,0,0|2,0,0]=4 2959 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,1,1,0,0,0|2,0,0]=4 2960 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,1,1,0,0,0|2,0,0]=4 2961 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,1,1,0,0,0|2,0,0]=4 2962 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,1,1,0,0,0|2,0,0]=4 2963 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,1,1,0,0,0|2,0,0]=4 2964 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,1,1,0,0,0|2,0,0]=4 2965 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [0,1,1,0,0,0|2,0,0]=4 2966 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [0,1,1,0,0,0|2,0,0]=4 2967 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,1,1,0,0,0|1,0,0]=3 2968 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,1,1,0,0,0|2,0,0]=4 2969 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,1,1,0,0,0|2,0,0]=4 2970 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,1,1,0,0,0|2,0,0]=4 2971 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,1,1,0,0,0|1,0,0]=3 2972 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,1,1,0,0,0|1,0,1]=4 2973 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,1,1,0,0,0|2,0,0]=4 2974 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,1,1,0,0,0|2,0,0]=4 2975 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,1,1,0,0,0|1,0,1]=4 2976 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,1,1,0,0,0|2,0,0]=4 2977 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,1,1,0,0,0|2,0,0]=4 2978 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,1,1,0,0,0|1,0,1]=4 2979 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,1,1,0,0,0|1,0,1]=4 2980 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,1,1,0,0,0|2,0,0]=4 2981 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [0,1,1,0,0,0|2,0,0]=4 2982 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,1,1,0,0,0|2,0,0]=4 2983 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,1,1,0,0,0|2,0,0]=4 2984 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,1,1,0,0,0|2,0,0]=4 2985 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,1,1,0,0,0|2,0,0]=4 2986 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,1,1,0,0,0|2,0,0]=4 2987 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,1,1,0,0,0|2,0,0]=4 2988 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,1,1,0,0,0|2,0,0]=4 2989 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,1,1,0,0,0|2,0,0]=4 2990 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,1,1,0,0,0|2,0,0]=4 2991 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,1,1,0,0,0|2,0,0]=4 2992 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,1,1,0,0,0|2,0,0]=4 2993 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,1,1,0,0,0|2,0,0]=4 2994 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [0,1,1,0,0,0|2,0,0]=4 2995 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,1,1,0,0,0|2,0,0]=4 2996 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,1,1,0,0,0|2,0,0]=4 2997 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [0,1,1,0,0,0|2,0,0]=4 2998 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [0,1,1,0,0,0|2,0,0]=4 2999 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [0,1,1,0,0,0|2,0,0]=4 3000 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,1,1,0,0,0|2,0,0]=4 3001 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,1,1,0,0,0|1,0,0]=3 3002 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,1,1,0,0,0|2,0,0]=4 3003 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,1,1,0,0,0|2,0,0]=4 3004 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,1,1,0,0,0|1,0,1]=4 3005 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,1,1,0,0,0|1,0,1]=4 3006 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,1,1,0,0,0|2,0,0]=4 3007 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,1,1,0,0,0|2,0,0]=4 3008 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,1,1,0,0,0|2,0,0]=4 3009 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,1,1,0,0,0|2,0,0]=4 3010 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,1,1,0,0,0|2,0,0]=4 3011 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,1,1,0,0,0|2,0,0]=4 3012 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,1,1,0,0,0|2,0,0]=4 3013 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,1,1,0,0,0|2,0,0]=4 3014 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,1,1,0,0,0|2,0,0]=4 3015 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,1,1,0,0,0|2,0,0]=4 3016 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,1,1,0,0,0|2,0,0]=4 3017 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,1,1,0,0,0|2,0,0]=4 3018 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,1,1,0,0,0|2,0,0]=4 3019 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [0,1,1,0,0,0|2,0,0]=4 3020 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [0,1,1,0,0,0|2,0,0]=4 3021 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [0,1,1,0,0,0|2,0,0]=4 3022 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,1,1,0,0,0|2,0,0]=4 3023 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,1,1,0,0,0|2,0,0]=4 3024 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,1,1,0,0,0|2,0,0]=4 3025 B10R0.18 C#CC(C)OC(C)CCCC 34a_100000687866_200000035995 [0,1,1,0,0,0|1,0,1]=4 3026 B10R0.18 C#C[C@@H](C)OC(C)CCCC 34a_100009815206_200011215066 [0,1,1,0,0,0|1,0,1]=4 3027 B10R0.18 C#C[C@@H](C)OC(C)CCCC 7a_100009815206_200011215066 [0,1,1,0,0,0|1,0,1]=4 3028 B10R0.18 C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185746 [0,1,1,0,0,0|1,0,1]=4 3029 B10R0.18 C=CC(=O)NC(C)CCCC 240690a_100000126638_200121576911 [0,1,1,0,0,0|1,0,1]=4 3030 B10R0.18 C=CC(C)OC(C)CCCC 34a_100000695699_200011215066 [0,1,1,0,0,0|1,0,1]=4 3031 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,1,1,0,0,0|1,0,0]=3 3032 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,1,1,0,0,0|1,0,0]=3 3033 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,1,1,0,0,0|1,0,0]=3 3034 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,1,1,0,0,0|1,0,0]=3 3035 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,1,1,0,0,0|1,0,0]=3 3036 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,1,1,0,0,0|1,0,0]=3 3037 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,1,1,0,0,0|1,0,0]=3 3038 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,1,1,0,0,0|1,0,0]=3 3039 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,1,1,0,0,0|1,0,0]=3 3040 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,1,1,0,0,0|1,0,0]=3 3041 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,1,1,0,0,0|1,0,0]=3 3042 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,1,1,0,0,0|1,0,0]=3 3043 B10R0.18 CCCCC(C)OC(C)C#N 34a_100011218135_200011215066 [0,1,1,0,0,0|1,0,1]=4 3044 B10R0.18 CCCCC(C)OC(C)C#N 7a_100000687866_100000703298 [0,1,1,0,0,0|1,0,1]=4 3045 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [0,1,1,0,0,0|1,0,1]=4 3046 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [0,1,1,0,0,0|1,0,1]=4 3047 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [0,1,1,0,0,0|1,0,1]=4 3048 B10R0.18 CCCCC(C)OC(C)CF 34a_100016041109_200011215066 [0,1,1,0,0,0|1,0,1]=4 3049 B10R0.18 CCCCC(C)OC(C)CF 7a_100016041109_200011215066 [0,1,1,0,0,0|1,0,1]=4 3050 B10R0.18 CCCCC(C)OC(C)CN 34a_100000210904_200011215066 [0,1,1,0,0,0|1,0,1]=4 3051 B10R0.18 CCCCC(C)OC(C)CO 34a_100000687866_100012180447 [0,1,1,0,0,0|0,0,2]=4 3052 B10R0.18 CCCCC(C)OC(C)CO 7a_100000687866_100012180447 [0,1,1,0,0,0|0,0,2]=4 3053 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,1,1,0,0,0|2,0,0]=4 3054 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [0,1,1,0,0,0|2,0,0]=4 3055 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [0,1,1,0,0,0|2,0,0]=4 3056 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [0,1,1,0,0,0|2,0,0]=4 3057 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,1,1,0,0,0|2,0,0]=4 3058 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,1,1,0,0,0|2,0,0]=4 3059 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,1,1,0,0,0|2,0,0]=4 3060 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,1,1,0,0,0|2,0,0]=4 3061 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,1,1,0,0,0|2,0,0]=4 3062 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,1,1,0,0,0|2,0,0]=4 3063 B10R0.28 CCCCC(C)NS(=O)(=O)C 40a_100000126638_100000738038 [0,1,1,0,0,0|2,0,0]=4 3064 B10R0.28 CCCCC(C)OC(C)(C)C 34a_100000687866_100000210625 [0,1,1,0,0,0|1,0,1]=4 3065 B10R0.28 CCCCC(C)OC(C)(C)C 34a_100015890283_200011215066 [0,1,1,0,0,0|1,0,1]=4 3066 B10R0.28 CCCCC(C)OC(C)(C)C 7a_100015890283_200011215066 [0,1,1,0,0,0|1,0,1]=4 3067 B10R0.32 CC(=O)OC(C)C(=O)CCO 1458a_100011216618_100009818208 [0,1,1,0,0,0|1,0,1]=4 3068 B10R0.32 CC(=O)OC(C)N(C)CCO 269982a_100000210263_100009818208 [0,1,1,0,0,0|2,0,0]=4 3069 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCF 1458a_100009816467_100011217306 [0,1,1,0,0,0|1,0,1]=4 3070 B10R0.32 CC(=O)O[C@@H](C)C(=O)CCO 1458a_100009816467_100000211926 [0,1,1,0,0,0|1,0,1]=4 3071 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,1,1,0,0,0|0,0,1]=3 3072 B10R0.32 CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210303 [0,1,1,0,0,0|1,0,1]=4 3073 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,1,1,0,0,0|0,0,1]=3 3074 B10R0.32 CCCC(C)C(C)OC(C)C 34a_100000708338_100000210206 [0,1,1,0,0,0|1,0,1]=4 3075 B10R0.32 CCCC(C)C(C)OC(C)C 7a_100000708338_100000210206 [0,1,1,0,0,0|1,0,1]=4 3076 B10R0.32 CCCN(C)C(C)OC(=O)C 269982a_100000747261_100009818208 [0,1,1,0,0,0|1,0,0]=3 3077 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 11a_100015525214_100009816467 [0,1,1,0,0,0|1,0,1]=4 3078 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 240690a_100015525214_100009816467 [0,1,1,0,0,0|1,0,1]=4 3079 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 527a_100015525214_100009816467 [0,1,1,0,0,0|1,0,1]=4 3080 B10R0.32 COCC(=O)C(C)OC(=O)C 1458a_100000210968_100009818208 [0,1,1,0,0,0|1,0,1]=4 3081 B10R0.32 CSCC(=O)C(C)OC(=O)C 1458a_100000184570_100009818208 [0,1,1,0,0,0|1,0,1]=4 3082 B10R0.44 CC(=O)OC(C)SC(C)CO 62a_100012180447_100009818208 [0,1,1,0,0,0|2,0,0]=4 3083 B10R0.44 CC(=O)OC(C)S[C@H](C)CO 62a_100009818208_100016084084 [0,1,1,0,0,0|2,0,0]=4 3084 B10R0.44 CC(=O)OC(C)S[C@H](C)CO 62a_100016084084_100009818208 [0,1,1,0,0,0|2,0,0]=4 3085 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,1,1,0,0,0|1,0,0]=3 3086 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,1,1,0,0,0|1,0,0]=3 3087 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,1,1,0,0,0|1,0,0]=3 3088 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,1,1,0,0,0|1,0,0]=3 3089 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100000758301_100009818208 [0,1,1,0,0,0|1,0,0]=3 3090 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100009818208_100000758301 [0,1,1,0,0,0|1,0,0]=3 3091 B10R0.44 COC(C)SC(C)OC(=O)C 62a_100009818208_100009879195 [0,1,1,0,0,0|2,0,0]=4 3092 B10R0.44 COC(C)SC(C)OC(=O)C 62a_100009879195_100009818208 [0,1,1,0,0,0|2,0,0]=4 3093 B10R0.81 C=C(C)C(=O)C(C)CCCC 1458a_100000185857_200011215066 [0,1,1,0,0,0|2,0,0]=4 3094 B10R0.81 CCCCN(C)C(C)C(=O)C 2230a_100000207549_100009814033 [0,1,1,0,0,0|2,0,0]=4 3095 B10R0.81 CCCCN(C)C(C)C(=O)C 269982a_100000207549_100009814033 [0,1,1,0,0,0|2,0,0]=4 3096 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,1,1,0,0,0|1,0,0]=3 3097 B10R0.87 CCCCC(CC)OC(C)C 34a_100000212225_200011216223 [0,1,1,0,0,0|1,0,1]=4 3098 B10R0.87 CCCCC(CC)OC(C)C 34a_100011215227_100000210206 [0,1,1,0,0,0|1,0,1]=4 3099 B10R0.87 CCCCC(CC)OC(C)C 7a_100011215227_100000210206 [0,1,1,0,0,0|1,0,1]=4 3100 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,1,1,0,0,0|1,0,0]=3 3101 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,1,1,0,0,0|1,0,0]=3 3102 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [0,1,1,0,0,0|2,0,0]=4 3103 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [0,1,1,0,0,0|2,0,0]=4 3104 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100000748629_100009818208 [0,1,1,0,0,0|1,0,1]=4 3105 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100009818208_100000211660 [0,1,1,0,0,0|1,0,1]=4 3106 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,1,1,0,0,0|1,0,0]=3 3107 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,1,1,0,0,0|1,0,0]=3 3108 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,1,1,0,0,0|1,0,0]=3 3109 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,1,1,0,0,0|1,0,0]=3 3110 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100000210624_100009818208 [0,1,1,0,0,0|1,0,0]=3 3111 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100009818208_100000210760 [0,1,1,0,0,0|1,0,0]=3 3112 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100009818208_100011218427 [0,1,1,0,0,0|1,0,0]=3 3113 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100011218427_100009818208 [0,1,1,0,0,0|1,0,0]=3 3114 B10R0.96 CC(=O)OC(C)SCC(F)F 62a_100009818208_100011934356 [0,1,1,0,0,0|2,0,0]=4 3115 B10R0.96 CC(=O)OC(C)SCC(F)F 62a_100011934356_100009818208 [0,1,1,0,0,0|2,0,0]=4 3116 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100009818208 [0,1,1,0,0,0|1,0,0]=3 3117 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009818208_100009817552 [0,1,1,0,0,0|1,0,0]=3 3118 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100000212225_100011261404 [0,1,1,0,0,0|1,0,1]=4 3119 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100011215350_100000210206 [0,1,1,0,0,0|1,0,1]=4 3120 B10R0.96 CC(C)CCC(C)OC(C)C 7a_100011215350_100000210206 [0,1,1,0,0,0|1,0,1]=4 3121 B10R0.122 CCCCC(C)(C)OC(C)C 7a_100011219641_100000210206 [0,1,1,0,0,0|1,0,1]=4 3122 B10R0.122 CCCC[Si](C)(C)CC(=O)C 1458a_100000070787_200000073895 [0,1,1,0,0,0|1,1,0]=4 3123 B10R0.122 CCCOC(C)(C)CC(=O)C 7a_100000210262_100000210303 [0,1,1,0,0,0|2,0,0]=4 3124 B10R0.16 C#CC(CCCC)OCC=O 34a_200011217967_200009817547 [0,1,1,0,0,0|2,0,0]=4 3125 B10R0.16 C#CC(CCCC)OCC=O 7a_200011217967_200015260668 [0,1,1,0,0,0|2,0,0]=4 3126 B10R0.16 C=CC(CCCC)OCC=O 34a_200011215037_200009817547 [0,1,1,0,0,0|2,0,0]=4 3127 B10R0.16 C=CC(CCCC)OCC=O 7a_200011215037_200015260668 [0,1,1,0,0,0|2,0,0]=4 3128 B10R0.16 C=CCN[C@H](CO)CCCC 2230a_100011934283_100000210623 [0,1,1,0,0,0|2,0,0]=4 3129 B10R0.16 C=CCN[C@H](CO)CCCC 34a_100011934283_100015514636 [0,1,1,0,0,0|2,0,0]=4 3130 B10R0.16 CCCCC(CC)OCC=O 34a_100011215227_200009817547 [0,1,1,0,0,0|2,0,0]=4 3131 B10R0.16 CCCCC(CC)OCC=O 7a_100011215227_200015260668 [0,1,1,0,0,0|2,0,0]=4 3132 B10R0.16 CCCCC(CC)SCC=O 62a_200011216223_200015260668 [0,1,1,0,0,0|2,0,0]=4 3133 B10R0.16 CCCCC(CC)SCC=O 62a_200015260668_200011216223 [0,1,1,0,0,0|2,0,0]=4 3134 B10R0.16 CCCCC(CCCC)OC 34a_200011215786_200000210301 [0,1,1,0,0,0|1,0,1]=4 3135 B10R0.16 CCCCC(CCCC)OC 7a_200011215786_200000210301 [0,1,1,0,0,0|1,0,1]=4 3136 B10R0.16 CCCCC(CCCC)O[13CH3] 34a_200011215786_200025704644 [0,1,1,0,0,0|1,0,1]=4 3137 B10R0.16 CCCCC(CCCC)O[13CH3] 7a_200011215786_200025704644 [0,1,1,0,0,0|1,0,1]=4 3138 B10R0.16 CCCC[C@@H](CO)NCC=O 2230a_100011934283_200015260668 [0,1,1,0,0,0|1,0,0]=3 3139 B10R0.16 CCCC[C@@H](CO)NCC=O 34a_100011934283_200009817547 [0,1,1,0,0,0|1,0,0]=3 3140 B10R0.16 CSCC[C@@H](CO)NCC=O 2230a_100011827619_200015260668 [0,1,1,0,0,0|2,0,0]=4 3141 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,1,1,0,0,0|1,0,1]=4 3142 B10R0.19 CCCC(C)C(C)OCC=O 34a_100000708338_200009817547 [0,1,1,0,0,0|2,0,0]=4 3143 B10R0.19 CCCC(C)C(C)OCC=O 7a_100000708338_200015260668 [0,1,1,0,0,0|2,0,0]=4 3144 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [0,1,1,0,0,0|2,0,0]=4 3145 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,1,1,0,0,0|2,0,0]=4 3146 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,1,1,0,0,0|2,0,0]=4 3147 B10R0.91 C=CCCNC(C)CCCC 2230a_100000126638_100000754431 [0,1,1,0,0,0|2,0,0]=4 3148 B10R0.91 C=CCCNC(C)CCCC 2230a_100015191253_200011215066 [0,1,1,0,0,0|2,0,0]=4 3149 B10R0.91 C=CCCNC(C)CCCC 270004a_100015191253_100000210087 [0,1,1,0,0,0|2,0,0]=4 3150 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [0,1,1,0,0,0|2,0,0]=4 3151 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [0,1,1,0,0,0|2,0,0]=4 3152 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [0,1,1,0,0,0|2,0,0]=4 3153 B10R0.91 C=CCCSC(C)CCCC 62a_100000754431_200011215066 [0,1,1,0,0,0|2,0,0]=4 3154 B10R0.91 C=CCCSC(C)CCCC 62a_200011215066_100000754431 [0,1,1,0,0,0|2,0,0]=4 3155 B10R0.91 C=CCNCC(O)COCC 2230a_102515437182_100000210623 [0,1,1,0,0,0|2,0,0]=4 3156 B10R0.91 C=CCNCC(O)COCC 34a_102515437182_100015514636 [0,1,1,0,0,0|2,0,0]=4 3157 B10R0.91 C=CCOCC(C)CCCC 34a_100011995851_100015514636 [0,1,1,0,0,0|2,0,0]=4 3158 B10R0.91 C=CCOCC(C)CCCC 7a_100011995851_100015514636 [0,1,1,0,0,0|2,0,0]=4 3159 B10R0.91 C=CCOC[C@@H](N)CCCC 34a_100011934283_100015514636 [0,1,1,0,0,0|2,0,0]=4 3160 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [0,1,1,0,0,0|1,0,0]=3 3161 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [0,1,1,0,0,0|1,0,0]=3 3162 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,1,1,0,0,0|2,0,0]=4 3163 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,1,1,0,0,0|2,0,0]=4 3164 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,1,1,0,0,0|2,0,0]=4 3165 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,1,1,0,0,0|2,0,0]=4 3166 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,1,1,0,0,0|2,0,0]=4 3167 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [0,1,1,0,0,0|2,0,0]=4 3168 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [0,1,1,0,0,0|2,0,0]=4 3169 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [0,1,1,0,0,0|1,0,0]=3 3170 B10R0.91 CCCOC(C)CNCC=O 2230a_100015185124_200015260668 [0,1,1,0,0,0|2,0,0]=4 3171 B10R0.91 CCCOC(C)CNCC=O 34a_100015185124_200009817547 [0,1,1,0,0,0|2,0,0]=4 3172 B10R0.91 CCOCC(O)CNCC=O 2230a_102515437182_200015260668 [0,1,1,0,0,0|1,0,0]=3 3173 B10R0.91 CCOCC(O)CNCC=O 34a_102515437182_200009817547 [0,1,1,0,0,0|1,0,0]=3 3174 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [0,1,1,0,0,0|2,0,0]=4 3175 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [0,1,1,0,0,0|2,0,0]=4 3176 B10R0.91 CSCC[C@H](N)COCC=O 34a_100011827619_200009817547 [0,1,1,0,0,0|2,0,0]=4 3177 B10R0.91 C[C@H](CCCO)CNCC=O 2230a_100160569302_200015260668 [0,1,1,0,0,0|2,0,0]=4 3178 B10R0.91 C[C@H](CCCO)CNCC=O 34a_100160569302_200009817547 [0,1,1,0,0,0|2,0,0]=4 3179 B10R0.116 CCCCC(C)(C)OCC=O 7a_100011219641_200015260668 [0,1,1,0,0,0|2,0,0]=4 3180 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [0,1,1,0,0,0|1,0,1]=4 3181 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [0,1,1,0,0,0|1,0,1]=4 3182 B10R0.24 CCCCCC(CC)OCF 34a_100011215405_100015361967 [0,1,1,0,0,0|1,0,1]=4 3183 B10R0.24 CCCCCC(CC)OCF 7a_100011215405_100015361967 [0,1,1,0,0,0|1,0,1]=4 3184 B10R0.24 CCCNCC(CC)OCC 2230a_100015183923_100000210303 [0,1,1,0,0,0|1,0,1]=4 3185 B10R0.24 CCCNCC(CC)OCC 34a_100015183923_100000210303 [0,1,1,0,0,0|1,0,1]=4 3186 B10R0.24 CCN(CC=O)CCCCO 2230a_100011217355_200015260668 [0,1,1,0,0,0|2,0,0]=4 3187 B10R0.24 CCN(CC=O)CCCCO 269982a_100011217355_200015260668 [0,1,1,0,0,0|2,0,0]=4 3188 B10R0.27 CCC(CCC(C)C)OCF 34a_100011216567_100015361967 [0,1,1,0,0,0|1,0,1]=4 3189 B10R0.27 CCC(CCC(C)C)OCF 7a_100011216567_100015361967 [0,1,1,0,0,0|1,0,1]=4 3190 B10R0.27 CCN(CC=O)CCC(C)C 2230a_100000207693_200015260668 [0,1,1,0,0,0|2,0,0]=4 3191 B10R0.27 CCN(CC=O)CCC(C)C 269982a_100000207693_200015260668 [0,1,1,0,0,0|2,0,0]=4 3192 B10R0.27 CCOC(CC)CCC(C)C 34a_100011216567_100000210202 [0,1,1,0,0,0|1,0,1]=4 3193 B10R0.27 CCOC(CC)CCC(C)C 7a_100011216567_100000210202 [0,1,1,0,0,0|1,0,1]=4 3194 B10R0.29 CCC(C)CC(CC)OCF 7a_200011216566_100015361967 [0,1,1,0,0,0|1,0,1]=4 3195 B10R0.29 CCC(O)CN(CC)CC=O 2230a_100011365200_200015260668 [0,1,1,0,0,0|2,0,0]=4 3196 B10R0.29 CCC(O)CN(CC)CC=O 269982a_100011365200_200015260668 [0,1,1,0,0,0|2,0,0]=4 3197 B10R0.29 CCOC(CC)CC(C)CC 7a_200011216566_100000210202 [0,1,1,0,0,0|1,0,1]=4 3198 B10R0.33 CCCC(C)C(CC)OCC 34a_200011218412_100000210202 [0,1,1,0,0,0|1,0,1]=4 3199 B10R0.33 CCCC(C)C(CC)OCC 7a_200011218412_100000210202 [0,1,1,0,0,0|1,0,1]=4 3200 B10R0.33 CCCC(C)C(CC)OCF 34a_200011218412_100015361967 [0,1,1,0,0,0|1,0,1]=4 3201 B10R0.33 CCCC(C)C(CC)OCF 7a_200011218412_100015361967 [0,1,1,0,0,0|1,0,1]=4 3202 B10R0.85 C=CC(=O)C(CC)CCCC 1458a_100000185746_200011216223 [0,1,1,0,0,0|2,0,0]=4 3203 B10R0.88 CCCCN(CC=O)C(C)C 2230a_100000207398_200015260668 [0,1,1,0,0,0|2,0,0]=4 3204 B10R0.88 CCCCN(CC=O)C(C)C 269982a_100000207398_200015260668 [0,1,1,0,0,0|2,0,0]=4 3205 B10R0.90 C=CCC(CCCC)OCC 34a_200011216941_100000210202 [0,1,1,0,0,0|2,0,0]=4 3206 B10R0.90 C=CCC(CCCC)OCC 7a_200011216941_100000210202 [0,1,1,0,0,0|2,0,0]=4 3207 B10R0.90 CCCCC(CCC)OCC 34a_100011215800_100000210202 [0,1,1,0,0,0|1,0,1]=4 3208 B10R0.90 CCCCC(CCC)OCC 34a_100121572206_100000211913 [0,1,1,0,0,0|1,0,1]=4 3209 B10R0.90 CCCCC(CCC)OCC 7a_100011215800_100000210202 [0,1,1,0,0,0|1,0,1]=4 3210 B10R0.90 CCCCC(CCC)OCF 34a_100011215800_100015361967 [0,1,1,0,0,0|1,0,1]=4 3211 B10R0.90 CCCCC(CCC)OCF 7a_100011215800_100015361967 [0,1,1,0,0,0|1,0,1]=4 3212 B10R0.90 CCCCN(CC=O)CCC 2230a_200000207744_200015260668 [0,1,1,0,0,0|2,0,0]=4 3213 B10R0.90 CCCCN(CC=O)CCC 269982a_200000207744_200015260668 [0,1,1,0,0,0|2,0,0]=4 3214 B10R0.90 CCCCN(CC=O)CCO 2230a_100000198060_200015260668 [0,1,1,0,0,0|2,0,0]=4 3215 B10R0.90 CCCCN(CC=O)CCO 269982a_100000198060_200015260668 [0,1,1,0,0,0|2,0,0]=4 3216 B10R0.123 CCCCC(C)(CC)OCC 7a_200011218725_100000210202 [0,1,1,0,0,0|1,0,1]=4 3217 B10R0.123 CCCCC(C)(CC)OCF 7a_200011218725_100015361967 [0,1,1,0,0,0|1,0,1]=4 3218 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,1,1,0,0,0|1,0,1]=4 3219 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,1,1,0,0,0|1,0,1]=4 3220 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,1,1,0,0,0|1,0,1]=4 3221 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,1,1,0,0,0|1,0,1]=4 3222 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,1,1,0,0,0|1,0,1]=4 3223 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,1,1,0,0,0|1,0,1]=4 3224 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,1,1,0,0,0|1,0,1]=4 3225 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,1,1,0,0,0|1,0,1]=4 3226 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,1,1,0,0,0|1,0,1]=4 3227 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,1,1,0,0,0|1,0,1]=4 3228 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,1,1,0,0,0|1,0,1]=4 3229 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,1,1,0,0,0|1,0,1]=4 3230 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,1,1,0,0,0|1,0,1]=4 3231 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,1,1,0,0,0|1,0,1]=4 3232 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,1,1,0,0,0|1,0,1]=4 3233 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,1,0,0,0|2,0,0]=4 3234 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,1,0,0,0|2,0,0]=4 3235 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,1,0,0,0|2,0,0]=4 3236 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,1,0,0,0|2,0,0]=4 3237 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,1,1,0,0,0|2,0,0]=4 3238 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,1,1,0,0,0|2,0,0]=4 3239 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,1,1,0,0,0|2,0,0]=4 3240 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,1,1,0,0,0|2,0,0]=4 3241 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,1,1,0,0,0|2,0,0]=4 3242 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,1,1,0,0,0|2,0,0]=4 3243 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,1,1,0,0,0|2,0,0]=4 3244 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,1,1,0,0,0|2,0,0]=4 3245 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,1,1,0,0,0|2,0,0]=4 3246 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,1,1,0,0,0|2,0,0]=4 3247 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,1,1,0,0,0|2,0,0]=4 3248 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,1,1,0,0,0|2,0,0]=4 3249 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,1,1,0,0,0|2,0,0]=4 3250 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,1,1,0,0,0|2,0,0]=4 3251 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,1,1,0,0,0|2,0,0]=4 3252 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,1,1,0,0,0|2,0,0]=4 3253 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,1,1,0,0,0|2,0,0]=4 3254 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,1,1,0,0,0|2,0,0]=4 3255 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [0,1,1,0,0,0|2,0,0]=4 3256 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,1,1,0,0,0|2,0,0]=4 3257 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,1,1,0,0,0|2,0,0]=4 3258 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [0,1,1,0,0,0|2,0,0]=4 3259 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [0,1,1,0,0,0|2,0,0]=4 3260 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [0,1,1,0,0,0|2,0,0]=4 3261 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,1,1,0,0,0|2,0,0]=4 3262 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,1,1,0,0,0|2,0,0]=4 3263 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,1,1,0,0,0|2,0,0]=4 3264 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,1,1,0,0,0|1,0,1]=4 3265 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,1,1,0,0,0|1,0,1]=4 3266 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,1,1,0,0,0|1,0,1]=4 3267 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,1,1,0,0,0|1,0,1]=4 3268 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,1,1,0,0,0|1,0,1]=4 3269 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,1,1,0,0,0|1,0,1]=4 3270 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,1,1,0,0,0|1,0,1]=4 3271 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,1,0,0,0|1,0,0]=3 3272 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,1,0,0,0|1,0,0]=3 3273 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,1,1,0,0,0|1,0,0]=3 3274 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,1,1,0,0,0|1,0,0]=3 3275 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,1,1,0,0,0|1,0,0]=3 3276 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,1,1,0,0,0|1,0,0]=3 3277 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,1,1,0,0,0|1,0,0]=3 3278 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,1,0,0,0|1,0,0]=3 3279 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,1,0,0,0|1,0,0]=3 3280 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,1,0,0,0|1,0,0]=3 3281 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,1,1,0,0,0|2,0,0]=4 3282 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,1,1,0,0,0|1,0,1]=4 3283 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,1,1,0,0,0|1,0,1]=4 3284 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,1,1,0,0,0|1,0,0]=3 3285 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,1,1,0,0,0|1,0,0]=3 3286 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,1,1,0,0,0|1,0,0]=3 3287 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,1,1,0,0,0|1,0,0]=3 3288 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,1,1,0,0,0|1,0,0]=3 3289 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,1,1,0,0,0|1,0,0]=3 3290 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,1,1,0,0,0|1,0,0]=3 3291 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,1,1,0,0,0|1,0,0]=3 3292 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,1,1,0,0,0|1,0,0]=3 3293 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,1,1,0,0,0|1,0,0]=3 3294 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,1,1,0,0,0|1,0,0]=3 3295 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,1,1,0,0,0|1,0,0]=3 3296 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,1,1,0,0,0|1,0,0]=3 3297 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,1,1,0,0,0|1,0,0]=3 3298 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,1,1,0,0,0|1,0,0]=3 3299 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,1,1,0,0,0|1,0,0]=3 3300 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,1,1,0,0,0|1,0,0]=3 3301 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,1,1,0,0,0|1,0,0]=3 3302 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,1,1,0,0,0|1,0,0]=3 3303 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,1,1,0,0,0|1,0,0]=3 3304 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,1,1,0,0,0|1,0,0]=3 3305 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,1,1,0,0,0|1,0,0]=3 3306 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,1,1,0,0,0|1,0,0]=3 3307 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,1,1,0,0,0|1,0,0]=3 3308 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,1,1,0,0,0|1,0,0]=3 3309 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,1,1,0,0,0|1,0,0]=3 3310 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,1,1,0,0,0|1,0,0]=3 3311 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,1,1,0,0,0|2,0,0]=4 3312 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,1,1,0,0,0|2,0,0]=4 3313 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,1,1,0,0,0|2,0,0]=4 3314 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,1,1,0,0,0|1,0,1]=4 3315 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,1,1,0,0,0|1,0,1]=4 3316 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,1,1,0,0,0|1,0,1]=4 3317 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,1,1,0,0,0|1,0,1]=4 3318 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,1,1,0,0,0|1,0,1]=4 3319 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,1,1,0,0,0|1,0,1]=4 3320 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,1,1,0,0,0|1,0,1]=4 3321 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,1,1,0,0,0|1,0,1]=4 3322 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,1,1,0,0,0|1,0,1]=4 3323 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,1,1,0,0,0|1,0,1]=4 3324 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,1,1,0,0,0|2,0,0]=4 3325 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,1,1,0,0,0|2,0,0]=4 3326 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,1,1,0,0,0|2,0,0]=4 3327 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,1,1,0,0,0|2,0,0]=4 3328 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,1,1,0,0,0|2,0,0]=4 3329 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,1,1,0,0,0|2,0,0]=4 3330 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,1,1,0,0,0|2,0,0]=4 3331 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,1,1,0,0,0|2,0,0]=4 3332 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,1,1,0,0,0|2,0,0]=4 3333 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,1,1,0,0,0|2,0,0]=4 3334 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,1,1,0,0,0|2,0,0]=4 3335 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,1,1,0,0,0|2,0,0]=4 3336 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,1,1,0,0,0|2,0,0]=4 3337 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,1,1,0,0,0|2,0,0]=4 3338 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,1,1,0,0,0|2,0,0]=4 3339 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,1,1,0,0,0|2,0,0]=4 3340 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,1,1,0,0,0|2,0,0]=4 3341 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,1,1,0,0,0|2,0,0]=4 3342 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,1,1,0,0,0|2,0,0]=4 3343 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,1,1,0,0,0|2,0,0]=4 3344 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,1,1,0,0,0|2,0,0]=4 3345 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,1,1,0,0,0|2,0,0]=4 3346 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,1,1,0,0,0|2,0,0]=4 3347 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,1,1,0,0,0|2,0,0]=4 3348 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,1,1,0,0,0|2,0,0]=4 3349 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,1,1,0,0,0|2,0,0]=4 3350 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,1,1,0,0,0|2,0,0]=4 3351 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,1,1,0,0,0|2,0,0]=4 3352 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,1,1,0,0,0|2,0,0]=4 3353 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,1,1,0,0,0|2,0,0]=4 3354 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,1,1,0,0,0|2,0,0]=4 3355 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,1,1,0,0,0|2,0,0]=4 3356 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,1,1,0,0,0|2,0,0]=4 3357 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,1,1,0,0,0|2,0,0]=4 3358 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,1,1,0,0,0|2,0,0]=4 3359 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,1,1,0,0,0|2,0,0]=4 3360 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,1,1,0,0,0|2,0,0]=4 3361 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,1,1,0,0,0|2,0,0]=4 3362 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,1,1,0,0,0|2,0,0]=4 3363 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,1,1,0,0,0|2,0,0]=4 3364 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,1,1,0,0,0|2,0,0]=4 3365 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,1,1,0,0,0|2,0,0]=4 3366 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,1,1,0,0,0|2,0,0]=4 3367 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,1,1,0,0,0|2,0,0]=4 3368 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,1,1,0,0,0|2,0,0]=4 3369 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,1,1,0,0,0|2,0,0]=4 3370 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,1,1,0,0,0|2,0,0]=4 3371 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,1,1,0,0,0|1,0,0]=3 3372 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,1,1,0,0,0|2,0,0]=4 3373 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,1,1,0,0,0|2,0,0]=4 3374 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,1,1,0,0,0|2,0,0]=4 3375 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,1,1,0,0,0|2,0,0]=4 3376 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,1,1,0,0,0|1,0,0]=3 3377 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,1,1,0,0,0|1,0,0]=3 3378 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,1,1,0,0,0|2,0,0]=4 3379 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,1,1,0,0,0|2,0,0]=4 3380 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,1,1,0,0,0|2,0,0]=4 3381 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,1,1,0,0,0|2,0,0]=4 3382 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,1,1,0,0,0|2,0,0]=4 3383 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,1,1,0,0,0|2,0,0]=4 3384 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,1,1,0,0,0|2,0,0]=4 3385 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,1,1,0,0,0|2,0,0]=4 3386 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,1,1,0,0,0|2,0,0]=4 3387 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,1,1,0,0,0|2,0,0]=4 3388 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,1,1,0,0,0|2,0,0]=4 3389 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,1,1,0,0,0|2,0,0]=4 3390 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,1,1,0,0,0|2,0,0]=4 3391 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,1,1,0,0,0|2,0,0]=4 3392 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,1,1,0,0,0|2,0,0]=4 3393 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,1,1,0,0,0|2,0,0]=4 3394 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,1,1,0,0,0|2,0,0]=4 3395 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,1,1,0,0,0|2,0,0]=4 3396 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,1,1,0,0,0|2,0,0]=4 3397 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,1,1,0,0,0|2,0,0]=4 3398 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,1,1,0,0,0|2,0,0]=4 3399 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,1,1,0,0,0|2,0,0]=4 3400 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,1,1,0,0,0|2,0,0]=4 3401 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,1,1,0,0,0|2,0,0]=4 3402 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,1,1,0,0,0|2,0,0]=4 3403 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,1,1,0,0,0|2,0,0]=4 3404 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,1,1,0,0,0|2,0,0]=4 3405 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,1,1,0,0,0|2,0,0]=4 3406 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,1,1,0,0,0|2,0,0]=4 3407 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,1,1,0,0,0|2,0,0]=4 3408 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,1,1,0,0,0|2,0,0]=4 3409 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,1,1,0,0,0|2,0,0]=4 3410 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,1,1,0,0,0|2,0,0]=4 3411 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,1,1,0,0,0|2,0,0]=4 3412 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,1,1,0,0,0|2,0,0]=4 3413 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,1,1,0,0,0|2,0,0]=4 3414 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,1,1,0,0,0|2,0,0]=4 3415 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,1,1,0,0,0|2,0,0]=4 3416 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,1,1,0,0,0|2,0,0]=4 3417 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,1,1,0,0,0|2,0,0]=4 3418 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,1,1,0,0,0|2,0,0]=4 3419 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,1,1,0,0,0|2,0,0]=4 3420 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,1,1,0,0,0|2,0,0]=4 3421 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,1,1,0,0,0|2,0,0]=4 3422 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,1,1,0,0,0|2,0,0]=4 3423 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,1,1,0,0,0|2,0,0]=4 3424 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,1,1,0,0,0|2,0,0]=4 3425 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,1,1,0,0,0|2,0,0]=4 3426 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,1,1,0,0,0|2,0,0]=4 3427 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,1,1,0,0,0|2,0,0]=4 3428 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,1,1,0,0,0|2,0,0]=4 3429 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,1,1,0,0,0|2,0,0]=4 3430 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,1,1,0,0,0|2,0,0]=4 3431 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,1,1,0,0,0|2,0,0]=4 3432 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,1,1,0,0,0|2,0,0]=4 3433 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,1,1,0,0,0|2,0,0]=4 3434 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,1,1,0,0,0|2,0,0]=4 3435 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,1,1,0,0,0|2,0,0]=4 3436 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,1,1,0,0,0|2,0,0]=4 3437 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,1,1,0,0,0|2,0,0]=4 3438 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,1,1,0,0,0|2,0,0]=4 3439 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,1,1,0,0,0|1,0,0]=3 3440 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,1,1,0,0,0|1,0,0]=3 3441 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,1,1,0,0,0|1,0,0]=3 3442 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,1,1,0,0,0|1,0,0]=3 3443 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,1,1,0,0,0|1,0,0]=3 3444 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,1,1,0,0,0|1,0,0]=3 3445 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,1,1,0,0,0|1,0,0]=3 3446 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,1,1,0,0,0|1,0,0]=3 3447 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,1,1,0,0,0|2,0,0]=4 3448 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,1,1,0,0,0|2,0,0]=4 3449 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,1,1,0,0,0|2,0,0]=4 3450 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,1,1,0,0,0|2,0,0]=4 3451 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,1,1,0,0,0|2,0,0]=4 3452 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,1,1,0,0,0|2,0,0]=4 3453 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,1,1,0,0,0|2,0,0]=4 3454 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,1,1,0,0,0|2,0,0]=4 3455 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,1,1,0,0,0|2,0,0]=4 3456 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,1,1,0,0,0|2,0,0]=4 3457 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,1,1,0,0,0|2,0,0]=4 3458 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,1,1,0,0,0|2,0,0]=4 3459 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,1,1,0,0,0|2,0,0]=4 3460 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,1,1,0,0,0|2,0,0]=4 3461 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,1,1,0,0,0|2,0,0]=4 3462 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,1,1,0,0,0|2,0,0]=4 3463 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,1,1,0,0,0|2,0,0]=4 3464 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,1,1,0,0,0|2,0,0]=4 3465 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,1,1,0,0,0|2,0,0]=4 3466 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,1,1,0,0,0|2,0,0]=4 3467 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,1,1,0,0,0|2,0,0]=4 3468 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,1,1,0,0,0|2,0,0]=4 3469 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,1,1,0,0,0|2,0,0]=4 3470 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,1,1,0,0,0|2,0,0]=4 3471 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,1,1,0,0,0|2,0,0]=4 3472 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,1,1,0,0,0|2,0,0]=4 3473 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,1,1,0,0,0|2,0,0]=4 3474 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,1,1,0,0,0|2,0,0]=4 3475 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,1,1,0,0,0|2,0,0]=4 3476 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,1,1,0,0,0|2,0,0]=4 3477 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,1,1,0,0,0|2,0,0]=4 3478 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,1,1,0,0,0|2,0,0]=4 3479 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,1,1,0,0,0|2,0,0]=4 3480 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,1,1,0,0,0|2,0,0]=4 3481 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,1,1,0,0,0|2,0,0]=4 3482 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,1,1,0,0,0|2,0,0]=4 3483 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,1,1,0,0,0|2,0,0]=4 3484 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,1,1,0,0,0|2,0,0]=4 3485 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,1,1,0,0,0|2,0,0]=4 3486 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,1,1,0,0,0|2,0,0]=4 3487 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,1,1,0,0,0|2,0,0]=4 3488 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,1,1,0,0,0|2,0,0]=4 3489 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,1,1,0,0,0|2,0,0]=4 3490 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,1,1,0,0,0|2,0,0]=4 3491 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,1,1,0,0,0|2,0,0]=4 3492 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,1,1,0,0,0|2,0,0]=4 3493 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,1,1,0,0,0|2,0,0]=4 3494 B10R0.41 C#CC(CC)OCCCCC 34a_100000758843_100000718602 [0,1,1,0,0,0|1,0,1]=4 3495 B10R0.41 C#CC(CC)OCCCCC 7a_100000758843_100000210326 [0,1,1,0,0,0|1,0,1]=4 3496 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [0,1,1,0,0,0|1,0,1]=4 3497 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [0,1,1,0,0,0|1,0,1]=4 3498 B10R0.41 CCCCCOC(CC)CC 7a_100000210253_100000210505 [0,1,1,0,0,0|1,0,1]=4 3499 B10R0.41 CCCCCOC(CC)CC 7a_100000688536_100000210326 [0,1,1,0,0,0|1,0,1]=4 3500 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,1,1,0,0,0|2,0,0]=4 3501 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,1,1,0,0,0|1,0,1]=4 3502 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,1,1,0,0,0|2,0,0]=4 3503 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,1,1,0,0,0|2,0,0]=4 3504 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,1,1,0,0,0|2,0,0]=4 3505 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,1,1,0,0,0|2,0,0]=4 3506 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,1,1,0,0,0|2,0,0]=4 3507 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,1,1,0,0,0|2,0,0]=4 3508 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,1,1,0,0,0|2,0,0]=4 3509 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,1,1,0,0,0|2,0,0]=4 3510 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,1,1,0,0,0|2,0,0]=4 3511 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,1,1,0,0,0|2,0,0]=4 3512 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,1,1,0,0,0|1,0,0]=3 3513 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,1,1,0,0,0|1,0,0]=3 3514 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,1,1,0,0,0|1,0,0]=3 3515 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,1,1,0,0,0|1,0,0]=3 3516 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,1,1,0,0,0|2,0,0]=4 3517 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,1,1,0,0,0|2,0,0]=4 3518 B10R0.59 CCC(=O)NNCC(O)CC 22a_100015206393_100000210414 [0,1,1,0,0,0|2,0,0]=4 3519 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,1,1,0,0,0|2,0,0]=4 3520 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,1,1,0,0,0|2,0,0]=4 3521 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,1,1,0,0,0|2,0,0]=4 3522 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,1,1,0,0,0|2,0,0]=4 3523 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,1,1,0,0,0|2,0,0]=4 3524 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,1,1,0,0,0|2,0,0]=4 3525 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,1,1,0,0,0|2,0,0]=4 3526 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,1,1,0,0,0|2,0,0]=4 3527 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [0,1,1,0,0,0|1,0,1]=4 3528 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,1,1,0,0,0|2,0,0]=4 3529 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [0,1,1,0,0,0|2,0,0]=4 3530 B10R0.62 CCCCCNS(=O)(=O)CC 270084a_100000209983_100000211323 [0,1,1,0,0,0|2,0,0]=4 3531 B10R0.62 CCCCCNS(=O)(=O)CC 274078a_100000209983_100000211323 [0,1,1,0,0,0|2,0,0]=4 3532 B10R0.62 CCCCCNS(=O)(=O)CC 40a_100000209983_100000053943 [0,1,1,0,0,0|2,0,0]=4 3533 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210230_100000210326 [0,1,1,0,0,0|1,0,1]=4 3534 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210253_100000210677 [0,1,1,0,0,0|1,0,1]=4 3535 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [0,1,1,0,0,0|2,0,0]=4 3536 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [0,1,1,0,0,0|2,0,0]=4 3537 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [0,1,1,0,0,0|2,0,0]=4 3538 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [0,1,1,0,0,0|2,0,0]=4 3539 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [0,1,1,0,0,0|2,0,0]=4 3540 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,1,1,0,0,0|2,0,0]=4 3541 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,1,1,0,0,0|1,0,0]=3 3542 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,1,1,0,0,0|1,0,0]=3 3543 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,1,1,0,0,0|2,0,0]=4 3544 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,1,1,0,0,0|2,0,0]=4 3545 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,1,1,0,0,0|2,0,0]=4 3546 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,1,1,0,0,0|2,0,0]=4 3547 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,1,1,0,0,0|2,0,0]=4 3548 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,1,1,0,0,0|2,0,0]=4 3549 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,1,1,0,0,0|1,0,0]=3 3550 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,1,1,0,0,0|1,0,0]=3 3551 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,1,1,0,0,0|1,0,0]=3 3552 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,1,1,0,0,0|1,0,0]=3 3553 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,1,1,0,0,0|2,0,0]=4 3554 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,1,1,0,0,0|2,0,0]=4 3555 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,1,1,0,0,0|2,0,0]=4 3556 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,1,1,0,0,0|2,0,0]=4 3557 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,1,1,0,0,0|2,0,0]=4 3558 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,1,1,0,0,0|2,0,0]=4 3559 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,1,1,0,0,0|2,0,0]=4 3560 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,1,1,0,0,0|2,0,0]=4 3561 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,1,1,0,0,0|2,0,0]=4 3562 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,1,1,0,0,0|2,0,0]=4 3563 B10R0.108 CCC(=O)NCC(O)COC 240690a_100000756049_100000210414 [0,1,1,0,0,0|2,0,0]=4 3564 B10R0.108 CCC(=O)NCC(O)COC 527a_100000756049_100000210414 [0,1,1,0,0,0|2,0,0]=4 3565 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,1,1,0,0,0|1,0,1]=4 3566 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [0,1,1,0,0,0|1,0,1]=4 3567 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [0,1,1,0,0,0|1,0,1]=4 3568 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [0,1,1,0,0,0|1,0,1]=4 3569 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,1,1,0,0,0|2,0,0]=4 3570 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,1,1,0,0,0|2,0,0]=4 3571 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [0,1,1,0,0,0|2,0,0]=4 3572 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [0,1,1,0,0,0|2,0,0]=4 3573 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [0,1,1,0,0,0|1,0,1]=4 3574 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [1,1,0,0,0,0|1,0,1]=4 3575 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [1,1,0,0,0,0|0,0,1]=3 3576 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [1,1,0,0,0,0|1,0,1]=4 3577 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [1,1,0,0,0,0|1,0,1]=4 3578 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [1,1,0,0,0,0|1,0,1]=4 3579 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [1,1,0,0,0,0|1,0,1]=4 3580 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [1,1,0,0,0,0|1,0,1]=4 3581 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [1,1,0,0,0,0|1,0,1]=4 3582 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [1,1,0,0,0,0|1,0,1]=4 3583 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [1,1,0,0,0,0|1,0,1]=4 3584 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [1,1,0,0,0,0|1,0,1]=4 3585 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [1,1,0,0,0,0|2,0,0]=4 3586 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [1,1,0,0,0,0|2,0,0]=4 3587 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [1,1,0,0,0,0|2,0,0]=4 3588 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [1,1,0,0,0,0|2,0,0]=4 3589 B10R1.54 CN(C)CC1CNC(=O)O1 2230a_100102631434_100000181169 [1,1,0,0,0,0|2,0,0]=4 3590 B10R1.54 CN(C)CC1CNC(=O)O1 269982a_100102631434_100000181169 [1,1,0,0,0,0|2,0,0]=4 3591 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [1,1,0,0,0,0|2,0,0]=4 3592 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [1,1,0,0,0,0|2,0,0]=4 3593 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [1,1,0,0,0,0|2,0,0]=4 3594 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [1,1,0,0,0,0|1,0,1]=4 3595 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [1,1,0,0,0,0|0,0,2]=4 3596 B10R1.11 CCNC(C)C1CCCO1 2230a_100025754208_100000210202 [1,1,0,0,0,0|1,0,1]=4 3597 B10R1.11 CCNC(C)C1CCCO1 34a_100025754208_100000210202 [1,1,0,0,0,0|1,0,1]=4 3598 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [1,1,0,0,0,0|1,0,1]=4 3599 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [1,1,0,0,0,0|1,0,1]=4 3600 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [1,1,0,0,0,0|1,0,1]=4 3601 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [1,1,0,0,0,0|1,0,1]=4 3602 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [1,1,0,0,0,0|1,0,1]=4 3603 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [1,1,0,0,0,0|1,0,1]=4 3604 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [1,1,0,0,0,0|2,0,0]=4 3605 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [1,1,0,0,0,0|2,0,0]=4 3606 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [1,1,0,0,0,0|2,0,0]=4 3607 B10R1.21 CCCCNC1CCSC1 270004a_100000102301_100000212027 [1,1,0,0,0,0|2,0,0]=4 3608 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [1,1,0,0,0,0|2,0,0]=4 3609 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [1,1,0,0,0,0|2,0,0]=4 3610 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [1,1,0,0,0,0|2,0,0]=4 3611 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [1,1,0,0,0,0|1,0,1]=4 3612 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [1,1,0,0,0,0|1,0,1]=4 3613 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [1,1,0,0,0,0|1,0,1]=4 3614 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [1,1,0,0,0,0|1,0,1]=4 3615 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [1,1,0,0,0,0|0,0,1]=3 3616 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [1,1,0,0,0,0|2,0,0]=4 3617 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [1,1,0,0,0,0|2,0,0]=4 3618 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [1,1,0,0,0,0|2,0,0]=4 3619 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [1,1,0,0,0,0|2,0,0]=4 3620 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [1,1,0,0,0,0|1,0,1]=4 3621 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [1,1,0,0,0,0|1,0,1]=4 3622 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [1,1,0,0,0,0|2,0,0]=4 3623 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [1,1,0,0,0,0|1,0,1]=4 3624 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [1,1,0,0,0,0|1,0,1]=4 3625 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [1,1,0,0,0,0|1,0,1]=4 3626 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [1,1,0,0,0,0|2,0,0]=4 3627 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [1,1,0,0,0,0|2,0,0]=4 3628 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [1,1,0,0,0,0|1,0,1]=4 3629 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [1,1,0,0,0,0|1,0,1]=4 3630 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [1,1,0,0,0,0|0,0,1]=3 3631 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [1,1,0,0,0,0|0,0,1]=3 3632 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [1,1,0,0,0,0|1,0,1]=4 3633 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [1,1,0,0,0,0|1,0,1]=4 3634 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [1,1,0,0,0,0|1,0,1]=4 3635 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [1,1,0,0,0,0|1,0,1]=4 3636 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [1,1,0,0,0,0|0,0,1]=3 3637 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [1,1,0,0,0,0|0,0,1]=3 3638 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [1,1,0,0,0,0|2,0,0]=4 3639 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [1,1,0,0,0,0|2,0,0]=4 3640 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [1,1,0,0,0,0|2,0,0]=4 3641 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [1,1,0,0,0,0|1,0,1]=4 3642 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [1,1,0,0,0,0|1,0,1]=4 3643 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [1,1,0,0,0,0|1,0,1]=4 3644 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [1,1,0,0,0,0|1,0,1]=4 3645 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [1,1,0,0,0,0|1,0,1]=4 3646 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [1,1,0,0,0,0|1,0,1]=4 3647 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [1,1,0,0,0,0|0,0,1]=3 3648 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [1,1,0,0,0,0|0,0,1]=3 3649 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [1,1,0,0,0,0|2,0,0]=4 3650 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [1,1,0,0,0,0|2,0,0]=4 3651 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [1,1,0,0,0,0|1,0,1]=4 3652 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [1,1,0,0,0,0|1,0,1]=4 3653 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [1,1,0,0,0,0|1,0,1]=4 3654 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [1,1,0,0,0,0|1,0,1]=4 3655 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [1,1,0,0,0,0|1,0,1]=4 3656 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [1,1,0,0,0,0|1,0,1]=4 3657 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [1,1,0,0,0,0|1,0,1]=4 3658 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [1,1,0,0,0,0|1,0,1]=4 3659 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,1,0,0,0,0|1,0,1]=4 3660 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,1,0,0,0,0|1,0,1]=4 3661 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,1,0,0,0,0|1,0,1]=4 3662 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [1,1,0,0,0,0|2,0,0]=4 3663 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [1,1,0,0,0,0|2,0,0]=4 3664 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [1,1,0,0,0,0|1,0,1]=4 3665 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [1,1,0,0,0,0|1,0,1]=4 3666 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [1,1,0,0,0,0|1,0,1]=4 3667 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [1,1,0,0,0,0|1,0,1]=4 3668 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,1,0,0,0,0|1,0,1]=4 3669 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,1,0,0,0,0|1,0,1]=4 3670 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,1,0,0,0,0|1,0,1]=4 3671 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,1,0,0,0,0|1,0,1]=4 3672 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,1,0,0,0,0|1,0,1]=4 3673 B10R1.21 CNCCCC1OCCO1 2230a_106832991635_100000042513 [1,1,0,0,0,0|1,0,1]=4 3674 B10R1.21 CNCCCC1OCCO1 34a_100102657272_100009861162 [1,1,0,0,0,0|1,0,1]=4 3675 B10R1.21 CNCCCC1OCCO1 7a_106832991635_100000042513 [1,1,0,0,0,0|1,0,1]=4 3676 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,1,0,0,0,0|1,0,1]=4 3677 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,1,0,0,0,0|1,0,1]=4 3678 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,1,0,0,0,0|1,0,1]=4 3679 B10R1.21 COCCCC1OCCO1 34a_100009871617_200000210301 [1,1,0,0,0,0|1,0,1]=4 3680 B10R1.21 COCCCC1OCCO1 34a_100138415774_100009861162 [1,1,0,0,0,0|1,0,1]=4 3681 B10R1.21 COCCCC1OCCO1 7a_100009871617_200000210301 [1,1,0,0,0,0|1,0,1]=4 3682 B10R1.21 COCCOC1CCCO1 34a_100000085407_100011201679 [1,1,0,0,0,0|1,0,1]=4 3683 B10R1.21 COCNC[C@@H]1CCCO1 2230a_100020590478_100000766300 [1,1,0,0,0,0|1,0,1]=4 3684 B10R1.21 COCSCC1CCCO1 62a_100000203698_100000766300 [1,1,0,0,0,0|1,0,1]=4 3685 B10R1.21 COCSCC1CCCO1 62a_100000766300_100000203698 [1,1,0,0,0,0|1,0,1]=4 3686 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,1,0,0,0,0|1,0,1]=4 3687 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,1,0,0,0,0|1,0,1]=4 3688 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [1,1,0,0,0,0|1,0,1]=4 3689 B10R1.21 CSCCOC1CCCO1 34a_100000085407_100000212216 [1,1,0,0,0,0|1,0,1]=4 3690 B10R1.21 CSCNC[C@@H]1CCCO1 2230a_100020590478_100011218213 [1,1,0,0,0,0|1,0,1]=4 3691 B10R1.21 CSCNC[C@@H]1CCCO1 34a_100020590478_100011218213 [1,1,0,0,0,0|1,0,1]=4 3692 B10R1.21 CSCOCC1CCCO1 34a_100000210270_100011218213 [1,1,0,0,0,0|1,0,1]=4 3693 B10R1.21 CSCSCC1CCCO1 62a_100000203698_100011218213 [1,1,0,0,0,0|1,0,1]=4 3694 B10R1.21 CSCSCC1CCCO1 62a_100011218213_100000203698 [1,1,0,0,0,0|1,0,1]=4 3695 B10R1.21 FCCCOC1CCCO1 34a_100000085407_100011934791 [1,1,0,0,0,0|1,0,1]=4 3696 B10R1.21 FCCNC[C@@H]1CCCO1 2230a_100020590478_100011217306 [1,1,0,0,0,0|1,0,1]=4 3697 B10R1.21 FCCNC[C@@H]1CCCO1 34a_100020590478_100011217306 [1,1,0,0,0,0|1,0,1]=4 3698 B10R1.21 FCCOCC1CCCO1 34a_100000210270_100011217306 [1,1,0,0,0,0|1,0,1]=4 3699 B10R1.21 FCCOCC1CCCO1 7a_100000210270_100011217306 [1,1,0,0,0,0|1,0,1]=4 3700 B10R1.21 FCCSCC1CCCO1 62a_100000203698_100011217306 [1,1,0,0,0,0|1,0,1]=4 3701 B10R1.21 FCCSCC1CCCO1 62a_100011217306_100000203698 [1,1,0,0,0,0|1,0,1]=4 3702 B10R1.21 OCCCOC1CCCO1 34a_100000085407_100000230001 [1,1,0,0,0,0|1,0,1]=4 3703 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [1,1,0,0,0,0|1,0,1]=4 3704 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [1,1,0,0,0,0|1,0,1]=4 3705 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [1,1,0,0,0,0|1,0,1]=4 3706 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [1,1,0,0,0,0|1,0,1]=4 3707 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [1,1,0,0,0,0|1,0,1]=4 3708 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [1,1,0,0,0,0|1,0,1]=4 3709 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [1,1,0,0,0,0|1,0,1]=4 3710 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,1,0,0,0,0|1,0,1]=4 3711 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,1,0,0,0,0|1,0,1]=4 3712 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,1,0,0,0,0|1,0,1]=4 3713 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,1,0,0,0,0|1,0,1]=4 3714 B10R1.21 [13CH3]OCCCC1OCCO1 34a_100009871617_200025704644 [1,1,0,0,0,0|1,0,1]=4 3715 B10R1.21 [13CH3]OCCCC1OCCO1 7a_100009871617_200025704644 [1,1,0,0,0,0|1,0,1]=4 3716 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,1,0,0,0,0|1,0,1]=4 3717 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,1,0,0,0,0|1,0,1]=4 3718 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [1,1,0,0,0,0|1,0,1]=4 3719 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [1,1,0,0,0,0|1,0,1]=4 3720 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [1,1,0,0,0,0|0,0,2]=4 3721 B10R1.27 CCC(C)OC1CCCO1 34a_100000085407_100011215416 [1,1,0,0,0,0|1,0,1]=4 3722 B10R1.27 CCN(C)CC1CCCO1 2230a_100000186375_200000210301 [1,1,0,0,0,0|1,0,1]=4 3723 B10R1.27 CCN(C)CC1CCCO1 2230a_100000225621_100000203698 [1,1,0,0,0,0|1,0,1]=4 3724 B10R1.27 CCN(C)CC1CCCO1 2230a_100102946541_100000210202 [1,1,0,0,0,0|1,0,1]=4 3725 B10R1.27 CCN(C)CC1CCCO1 269982a_100000186375_200000210301 [1,1,0,0,0,0|1,0,1]=4 3726 B10R1.27 CCN(C)CC1CCCO1 269982a_100000225621_100000183445 [1,1,0,0,0,0|1,0,1]=4 3727 B10R1.27 CCN(C)CC1CCCO1 269982a_100102946541_100000204670 [1,1,0,0,0,0|1,0,1]=4 3728 B10R1.27 CCN(C)CC1CCCO1 34a_100000186375_200000210301 [1,1,0,0,0,0|1,0,1]=4 3729 B10R1.27 CCN(C)CC1CCCO1 34a_100102946541_100000210202 [1,1,0,0,0,0|1,0,1]=4 3730 B10R1.27 CCN([13CH3])CC1CCCO1 2230a_100000186375_200025704644 [1,1,0,0,0,0|1,0,1]=4 3731 B10R1.27 CCN([13CH3])CC1CCCO1 269982a_100000186375_200025704644 [1,1,0,0,0,0|1,0,1]=4 3732 B10R1.27 CCN([13CH3])CC1CCCO1 34a_100000186375_200025704644 [1,1,0,0,0,0|1,0,1]=4 3733 B10R1.27 CNC(C)CC1C=CCC1 270004a_106832991635_100000116859 [1,1,0,0,0,0|2,0,0]=4 3734 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [1,1,0,0,0,0|2,0,0]=4 3735 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [1,1,0,0,0,0|2,0,0]=4 3736 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [1,1,0,0,0,0|2,0,0]=4 3737 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [1,1,0,0,0,0|2,0,0]=4 3738 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [1,1,0,0,0,0|2,0,0]=4 3739 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [1,1,0,0,0,0|2,0,0]=4 3740 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,1,0,0,0,0|0,0,2]=4 3741 B10R1.66 CC(C)COC1CCCO1 34a_100000085407_100000210624 [1,1,0,0,0,0|1,0,1]=4 3742 B10R1.66 CC(C)NCC1CCCO1 2230a_100138425928_100000203698 [1,1,0,0,0,0|1,0,1]=4 3743 B10R1.66 CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100000210206 [1,1,0,0,0,0|1,0,1]=4 3744 B10R1.66 CC(C)NC[C@@H]1CCCO1 34a_100020590478_100000210206 [1,1,0,0,0,0|1,0,1]=4 3745 B10R1.66 CC(C)OCC1CCCO1 34a_100000210270_100000210206 [1,1,0,0,0,0|1,0,1]=4 3746 B10R1.66 CC(C)OCC1CCCO1 7a_100000210270_100000210206 [1,1,0,0,0,0|1,0,1]=4 3747 B10R1.66 CC(C)SCC1CCCO1 62a_100000203698_100000210206 [1,1,0,0,0,0|1,0,1]=4 3748 B10R1.66 CC(C)SCC1CCCO1 62a_100000210206_100000203698 [1,1,0,0,0,0|1,0,1]=4 3749 B10R1.66 CC(O)COC1CCCO1 34a_100000085407_100011218427 [1,1,0,0,0,0|1,0,1]=4 3750 B10R1.66 C[C@@H](O)COC1CCCO1 34a_100000085407_100009817552 [1,1,0,0,0,0|1,0,1]=4 3751 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,1,0,0,0,0|0,0,2]=4 3752 B10R1.24 C=C1CC(C1)CNCCC 2230a_100102567296_100000210303 [0,1,0,0,1,0|2,0,0]=4 3753 B10R1.24 C=C1CC(C1)CNCCC 34a_100102567296_100000210303 [0,1,0,0,1,0|2,0,0]=4 3754 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [0,1,0,0,1,0|2,0,0]=4 3755 B10R1.24 C=C1CC(C1)NCCCC 2230a_100132301982_100000210211 [0,1,0,0,1,0|2,0,0]=4 3756 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,1,0,0,1,0|1,0,0]=3 3757 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,1,0,0,1,0|1,0,0]=3 3758 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,1,0,0,1,0|1,0,0]=3 3759 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,1,0,0,1,0|1,0,0]=3 3760 B10R1.24 CCOCSC1CC(=O)C1 62a_100009894365_100000739092 [0,1,0,0,1,0|2,0,0]=4 3761 B10R1.24 COCCSC1CC(=O)C1 62a_100009894365_100000233755 [0,1,0,0,1,0|2,0,0]=4 3762 B10R1.24 COCSCC1CC(=O)C1 62a_100000766300_100009874392 [0,1,0,0,1,0|2,0,0]=4 3763 B10R1.24 COCSCC1CC(=O)C1 62a_100009874392_100000766300 [0,1,0,0,1,0|2,0,0]=4 3764 B10R1.24 CSCCSC1CC(=O)C1 62a_100009894365_100000751147 [0,1,0,0,1,0|2,0,0]=4 3765 B10R1.24 CSCOCC1CC(=O)C1 34a_100000101936_100011218213 [0,1,0,0,1,0|2,0,0]=4 3766 B10R1.24 CSCSCC1CC(=O)C1 62a_100009874392_100011218213 [0,1,0,0,1,0|2,0,0]=4 3767 B10R1.24 CSCSCC1CC(=O)C1 62a_100011218213_100009874392 [0,1,0,0,1,0|2,0,0]=4 3768 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [0,1,0,0,1,0|2,0,0]=4 3769 B10R1.24 O=C1CC(C1)COCCF 34a_100000101936_100011217306 [0,1,0,0,1,0|2,0,0]=4 3770 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [0,1,0,0,1,0|2,0,0]=4 3771 B10R1.24 O=C1CC(C1)CSCCF 62a_100009874392_100011217306 [0,1,0,0,1,0|2,0,0]=4 3772 B10R1.24 O=C1CC(C1)CSCCF 62a_100011217306_100009874392 [0,1,0,0,1,0|2,0,0]=4 3773 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [0,1,0,0,1,0|2,0,0]=4 3774 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [0,1,0,0,1,0|2,0,0]=4 3775 B10R1.24 O=C1CC(C1)SCCCF 62a_100009894365_100011934791 [0,1,0,0,1,0|2,0,0]=4 3776 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [0,1,0,0,1,0|2,0,0]=4 3777 B10R1.82 CC(C)CSC1CC(=O)C1 62a_100009894365_100000210760 [0,1,0,0,1,0|2,0,0]=4 3778 B10R1.82 CC(C)NCC1CC(=O)C1 2230a_100138425928_100009874392 [0,1,0,0,1,0|2,0,0]=4 3779 B10R1.82 CC(C)OCC1CC(=O)C1 34a_100000101936_100000210206 [0,1,0,0,1,0|2,0,0]=4 3780 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100000210206_100009874392 [0,1,0,0,1,0|2,0,0]=4 3781 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100009874392_100000210206 [0,1,0,0,1,0|2,0,0]=4 3782 B10R1.82 CC(O)CSC1CC(=O)C1 62a_100009894365_100011218427 [0,1,0,0,1,0|2,0,0]=4 3783 B10R1.82 C[C@@H](O)CSC1CC(=O)C1 62a_100009894365_100009817552 [0,1,0,0,1,0|2,0,0]=4 3784 B10R1.140 CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210303 [0,1,0,0,1,0|1,0,1]=4 3785 B10R1.140 CCCN(C)C1CC(=O)C1 269982a_100000747261_100009894365 [0,1,0,0,1,0|2,0,0]=4 3786 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [0,1,0,0,1,0|1,0,1]=4 3787 B10R1.150 CCC(C)SC1CC(=O)C1 62a_100009894365_100000758301 [0,1,0,0,1,0|2,0,0]=4 3788 B10R1.150 CCN(C)CC1CC(=O)C1 2230a_100000225621_100009874392 [0,1,0,0,1,0|2,0,0]=4 3789 B10R1.150 CCN(C)CC1CC(=O)C1 269982a_100000225621_100009874392 [0,1,0,0,1,0|2,0,0]=4 3790 B10R1.37 C#CCCNC1CCC1=O 34a_100000755551_100009892977 [0,1,0,0,1,0|0,0,2]=4 3791 B10R1.37 C#CCCOC1CCC1=O 34a_100011215631_100009892977 [0,1,0,0,1,0|0,0,2]=4 3792 B10R1.37 C#CCCSC1CCC1=O 62a_100000688953_100009892977 [0,1,0,0,1,0|0,0,2]=4 3793 B10R1.37 C#CCCSC1CCC1=O 62a_100009892977_100000688953 [0,1,0,0,1,0|0,0,2]=4 3794 B10R1.37 C/C=C/COC1CCC1=O 34a_100016270725_100009892977 [0,1,0,0,1,0|0,0,2]=4 3795 B10R1.37 C/C=C/CSC1CCC1=O 62a_100009892977_100102629194 [0,1,0,0,1,0|0,0,2]=4 3796 B10R1.37 C/C=C/CSC1CCC1=O 62a_100102629194_100009892977 [0,1,0,0,1,0|0,0,2]=4 3797 B10R1.37 C=CCCOC1CCC1=O 34a_100011205117_100009892977 [0,1,0,0,1,0|0,0,2]=4 3798 B10R1.37 C=CCCSC1CCC1=O 62a_100000754431_100009892977 [0,1,0,0,1,0|0,0,2]=4 3799 B10R1.37 C=CCCSC1CCC1=O 62a_100009892977_100000754431 [0,1,0,0,1,0|0,0,2]=4 3800 B10R1.37 CC#CCNC1CCC1=O 34a_100000685387_100009892977 [0,1,0,0,1,0|0,0,2]=4 3801 B10R1.37 CC#CCOC1CCC1=O 34a_100000761923_100009892977 [0,1,0,0,1,0|0,0,2]=4 3802 B10R1.37 CC#CCSC1CCC1=O 62a_100000748600_100009892977 [0,1,0,0,1,0|0,0,2]=4 3803 B10R1.37 CC#CCSC1CCC1=O 62a_100009892977_100000748600 [0,1,0,0,1,0|0,0,2]=4 3804 B10R1.37 CC=CCSC1CCC1=O 62a_100000070051_100009892977 [0,1,0,0,1,0|0,0,2]=4 3805 B10R1.37 CC=CCSC1CCC1=O 62a_100009892977_100000070051 [0,1,0,0,1,0|0,0,2]=4 3806 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,0,1,0|0,0,0]=2 3807 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,0,1,0|0,0,0]=2 3808 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,0,1,0|0,0,0]=2 3809 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,0,1,0|0,0,0]=2 3810 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,0,1,0|0,0,0]=2 3811 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,0,1,0|0,0,0]=2 3812 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,1,0,0,1,0|1,0,0]=3 3813 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,1,0,0,1,0|1,0,0]=3 3814 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,0,1,0|0,0,0]=2 3815 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,0,1,0|0,0,0]=2 3816 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,1,0,0,1,0|1,0,0]=3 3817 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,1,0,0,1,0|1,0,0]=3 3818 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,1,0,0,1,0|1,0,0]=3 3819 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,1,0,0,1,0|1,0,0]=3 3820 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,1,0,0,1,0|1,0,0]=3 3821 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,1,0,0,1,0|1,0,0]=3 3822 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,1,0,0,1,0|1,0,0]=3 3823 B10R1.37 N#CCCSC1CCC1=O 62a_100009892977_100011215226 [0,1,0,0,1,0|1,0,1]=4 3824 B10R1.37 N#CCCSC1CCC1=O 62a_100011215226_100009892977 [0,1,0,0,1,0|1,0,1]=4 3825 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,1,0,0,1,0|1,0,0]=3 3826 B10R1.37 NOCCOC1CCC1=O 34a_100000700252_100009892977 [0,1,0,0,1,0|2,0,0]=4 3827 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,1,0,0,1,0|1,0,0]=3 3828 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,1,0,0,1,0|1,0,0]=3 3829 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,1,0,0,1,0|1,0,0]=3 3830 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,1,0,0,1,0|1,0,0]=3 3831 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,1,0,0,1,0|1,0,0]=3 3832 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,1,0,0,1,0|1,0,0]=3 3833 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,1,0,0,1,0|1,0,0]=3 3834 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,1,0,0,1,0|1,0,0]=3 3835 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,1,0,0,1,0|1,0,0]=3 3836 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,1,0,0,1,0|1,0,0]=3 3837 B10R1.117 C=C(C)COC1CCC1=O 34a_100000210245_100009892977 [0,1,0,0,1,0|1,0,1]=4 3838 B10R1.117 C=C(C)CSC1CCC1=O 62a_100000748629_100009892977 [0,1,0,0,1,0|1,0,1]=4 3839 B10R1.117 C=C(C)CSC1CCC1=O 62a_100009892977_100000211660 [0,1,0,0,1,0|1,0,1]=4 3840 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,0,1,0|0,0,1]=3 3841 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,1,0,0,1,0|1,0,1]=4 3842 B10R1.117 CC(Br)COC1CCC1=O 34a_100012180447_100009892977 [0,1,0,0,1,0|1,0,0]=3 3843 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [0,1,0,0,1,0|1,0,0]=3 3844 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,1,0,0,1,0|1,0,0]=3 3845 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [0,1,0,0,1,0|1,0,0]=3 3846 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [0,1,0,0,1,0|1,0,0]=3 3847 B10R1.117 CC(F)COC1CCC1=O 34a_100015925927_100009892977 [0,1,0,0,1,0|1,0,0]=3 3848 B10R1.117 CC(O)CNC1CCC1=O 34a_100000210904_100009892977 [0,1,0,0,1,0|1,0,0]=3 3849 B10R1.117 CC(O)CSC1CCC1=O 62a_100009892977_100011218427 [0,1,0,0,1,0|1,0,0]=3 3850 B10R1.117 CC(O)CSC1CCC1=O 62a_100011218427_100009892977 [0,1,0,0,1,0|1,0,0]=3 3851 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,1,0,0,1,0|1,0,0]=3 3852 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,1,0,0,1,0|1,0,0]=3 3853 B10R1.117 C[C@@H](Cl)COC1CCC1=O 34a_100016084084_100009892977 [0,1,0,0,1,0|1,0,0]=3 3854 B10R1.117 C[C@@H](N)COC1CCC1=O 34a_100000737577_100009892977 [0,1,0,0,1,0|1,0,0]=3 3855 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009817552_100009892977 [0,1,0,0,1,0|1,0,0]=3 3856 B10R1.117 C[C@@H](O)CSC1CCC1=O 62a_100009892977_100009817552 [0,1,0,0,1,0|1,0,0]=3 3857 B10R1.117 O=C1CCC1NCC(F)F 34a_100000765723_100009892977 [0,1,0,0,1,0|2,0,0]=4 3858 B10R1.117 O=C1CCC1OCC(F)F 34a_100000743014_100009892977 [0,1,0,0,1,0|2,0,0]=4 3859 B10R1.117 O=C1CCC1SCC(F)F 62a_100009892977_100011934356 [0,1,0,0,1,0|2,0,0]=4 3860 B10R1.117 O=C1CCC1SCC(F)F 62a_100011934356_100009892977 [0,1,0,0,1,0|2,0,0]=4 3861 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,1,0,0,1,0|0,0,1]=3 3862 B10R1.139 CCCN(C)C1CCC1=O 269982a_100000747261_100009892977 [0,1,0,0,1,0|1,0,0]=3 3863 B10R1.139 CN(CCO)C1CCC1=O 269982a_100000210263_100009892977 [0,1,0,0,1,0|2,0,0]=4 3864 B10R1.139 COCC(=O)C1CCC1=O 1458a_100000210968_100009892977 [0,1,0,0,1,0|1,0,1]=4 3865 B10R1.139 CSCC(=O)C1CCC1=O 1458a_100000184570_100009892977 [0,1,0,0,1,0|1,0,1]=4 3866 B10R1.139 O=C(CCO)C1CCC1=O 1458a_100011216618_100009892977 [0,1,0,0,1,0|1,0,1]=4 3867 B10R1.463 CC(CF)OC1CCC1=O 34a_100016041109_100009892977 [0,1,0,0,1,0|2,0,0]=4 3868 B10R1.463 CC(CF)OC1CCC1=O 7a_100016041109_100009892977 [0,1,0,0,1,0|2,0,0]=4 3869 B10R1.463 CC(CN)OC1CCC1=O 34a_100000210904_100009892977 [0,1,0,0,1,0|2,0,0]=4 3870 B10R1.463 CC(CO)SC1CCC1=O 62a_100012180447_100009892977 [0,1,0,0,1,0|2,0,0]=4 3871 B10R1.463 CCC(C)OC1CCC1=O 7a_100000210228_100009892977 [0,1,0,0,1,0|1,0,0]=3 3872 B10R1.463 CCC(C)SC1CCC1=O 62a_100000758301_100009892977 [0,1,0,0,1,0|1,0,0]=3 3873 B10R1.463 CCC(C)SC1CCC1=O 62a_100009892977_100000758301 [0,1,0,0,1,0|1,0,0]=3 3874 B10R1.463 COC(C)SC1CCC1=O 62a_100009879195_100009892977 [0,1,0,0,1,0|2,0,0]=4 3875 B10R1.463 COC(C)SC1CCC1=O 62a_100009892977_100009879195 [0,1,0,0,1,0|2,0,0]=4 3876 B10R1.463 C[C@H](CO)SC1CCC1=O 62a_100009892977_100016084084 [0,1,0,0,1,0|2,0,0]=4 3877 B10R1.463 C[C@H](CO)SC1CCC1=O 62a_100016084084_100009892977 [0,1,0,0,1,0|2,0,0]=4 3878 B12R1.1 C=C1CCC(CC1)COCCC 34a_100000074039_100000210303 [0,1,0,0,0,1|2,0,0]=4 3879 B12R1.1 C=C1CCC(CC1)NCCCC 270004a_100000102301_100010272673 [0,1,0,0,0,1|2,0,0]=4 3880 B12R1.1 CCCCNC1CCC(=O)NC1 2230a_100000748762_100000210211 [0,1,0,0,0,1|1,0,0]=3 3881 B12R1.1 CCCCNC1CCC(=O)NC1 34a_100000748762_100000210210 [0,1,0,0,0,1|1,0,0]=3 3882 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [0,1,0,0,0,1|1,0,0]=3 3883 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [0,1,0,0,0,1|1,0,0]=3 3884 B12R1.1 CCCCOC1CCC(=O)NC1 34a_100000079199_100000210210 [0,1,0,0,0,1|1,0,0]=3 3885 B12R1.1 CCCCOC1CNC(=O)NC1 34a_100000080929_100000210210 [0,1,0,0,0,1|2,0,0]=4 3886 B12R1.1 CCCOCC1CCC(=O)CC1 34a_100000062911_100000210303 [0,1,0,0,0,1|1,0,0]=3 3887 B12R1.1 COCCNC1CCC(=O)NC1 2230a_100000748762_100011201679 [0,1,0,0,0,1|2,0,0]=4 3888 B12R1.1 COCCNC1CCC(=O)NC1 34a_100000748762_100011201679 [0,1,0,0,0,1|2,0,0]=4 3889 B12R1.1 COCCOC1CCC(=O)CC1 34a_100000764474_100011201679 [0,1,0,0,0,1|2,0,0]=4 3890 B12R1.1 COCCOC1CCC(=O)CC1 7a_100000764474_100000233755 [0,1,0,0,0,1|2,0,0]=4 3891 B12R1.1 COCCOC1CCC(=O)NC1 34a_100000079199_100011201679 [0,1,0,0,0,1|2,0,0]=4 3892 B12R1.1 CSCCNC1CCC(=O)NC1 2230a_100000748762_100000751147 [0,1,0,0,0,1|2,0,0]=4 3893 B12R1.1 CSCCNC1CCC(=O)NC1 34a_100000748762_100000212216 [0,1,0,0,0,1|2,0,0]=4 3894 B12R1.1 CSCCOC1CCC(=O)CC1 34a_100000764474_100000212216 [0,1,0,0,0,1|2,0,0]=4 3895 B12R1.1 CSCCOC1CCC(=O)CC1 7a_100000764474_100000212216 [0,1,0,0,0,1|2,0,0]=4 3896 B12R1.1 CSCCOC1CCC(=O)NC1 34a_100000079199_100000212216 [0,1,0,0,0,1|2,0,0]=4 3897 B12R1.1 CSCOCC1CCC(=O)CC1 34a_100000062911_100011218213 [0,1,0,0,0,1|2,0,0]=4 3898 B12R1.1 O=C1CCC(CC1)COCCF 34a_100000062911_100011217306 [0,1,0,0,0,1|2,0,0]=4 3899 B12R1.1 O=C1CCC(CC1)COCCO 34a_100000062911_100000211926 [0,1,0,0,0,1|2,0,0]=4 3900 B12R1.1 O=C1CCC(CC1)OCCCF 34a_100000764474_100011934791 [0,1,0,0,0,1|2,0,0]=4 3901 B12R1.1 O=C1CCC(CC1)OCCCF 7a_100000764474_100011934791 [0,1,0,0,0,1|2,0,0]=4 3902 B12R1.1 O=C1CCC(CC1)OCCCO 34a_100000764474_100000230001 [0,1,0,0,0,1|2,0,0]=4 3903 B12R1.1 O=C1CCC(CC1)OCCCO 7a_100000764474_100011215043 [0,1,0,0,0,1|2,0,0]=4 3904 B12R1.1 O=C1CCC(CN1)NCCCF 2230a_100000748762_100011934791 [0,1,0,0,0,1|2,0,0]=4 3905 B12R1.1 O=C1CCC(CN1)NCCCF 34a_100000748762_100011934791 [0,1,0,0,0,1|2,0,0]=4 3906 B12R1.1 O=C1CCC(CN1)NCCCO 2230a_100000748762_100000230001 [0,1,0,0,0,1|2,0,0]=4 3907 B12R1.1 O=C1CCC(CN1)NCCCO 34a_100000748762_100000230001 [0,1,0,0,0,1|2,0,0]=4 3908 B12R1.1 O=C1CCC(CN1)OCCCF 34a_100000079199_100011934791 [0,1,0,0,0,1|2,0,0]=4 3909 B12R1.1 O=C1CCC(CN1)OCCCO 34a_100000079199_100000230001 [0,1,0,0,0,1|2,0,0]=4 3910 B12R1.16 CCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210303 [0,1,0,0,0,1|1,0,1]=4 3911 B12R1.21 CC(C)CNC1CCC(=O)NC1 2230a_100000748762_100000210760 [0,1,0,0,0,1|2,0,0]=4 3912 B12R1.21 CC(C)CNC1CCC(=O)NC1 270004a_100000748762_100000210432 [0,1,0,0,0,1|2,0,0]=4 3913 B12R1.21 CC(C)CNC1CCC(=O)NC1 34a_100000748762_100000210624 [0,1,0,0,0,1|2,0,0]=4 3914 B12R1.21 CC(C)COC1CCC(=O)CC1 34a_100000764474_100000210624 [0,1,0,0,0,1|2,0,0]=4 3915 B12R1.21 CC(C)COC1CCC(=O)CC1 7a_100000764474_100000210760 [0,1,0,0,0,1|2,0,0]=4 3916 B12R1.21 CC(C)COC1CCC(=O)NC1 34a_100000079199_100000210624 [0,1,0,0,0,1|2,0,0]=4 3917 B12R1.21 CC(C)OCC1CCC(=O)CC1 34a_100000062911_100000210206 [0,1,0,0,0,1|2,0,0]=4 3918 B12R1.21 CC(O)CNC1CCC(=O)NC1 2230a_100000748762_100011218427 [0,1,0,0,0,1|2,0,0]=4 3919 B12R1.21 CC(O)CNC1CCC(=O)NC1 34a_100000748762_100011218427 [0,1,0,0,0,1|2,0,0]=4 3920 B12R1.21 CC(O)COC1CCC(=O)CC1 34a_100000764474_100011218427 [0,1,0,0,0,1|2,0,0]=4 3921 B12R1.21 CC(O)COC1CCC(=O)CC1 7a_100000764474_100011218427 [0,1,0,0,0,1|2,0,0]=4 3922 B12R1.21 CC(O)COC1CCC(=O)NC1 34a_100000079199_100011218427 [0,1,0,0,0,1|2,0,0]=4 3923 B12R1.21 C[C@@H](O)CNC1CCC(=O)NC1 2230a_100000748762_100009817552 [0,1,0,0,0,1|2,0,0]=4 3924 B12R1.21 C[C@@H](O)CNC1CCC(=O)NC1 34a_100000748762_100009817552 [0,1,0,0,0,1|2,0,0]=4 3925 B12R1.21 C[C@@H](O)COC1CCC(=O)CC1 34a_100000764474_100009817552 [0,1,0,0,0,1|2,0,0]=4 3926 B12R1.21 C[C@@H](O)COC1CCC(=O)CC1 7a_100000764474_100009817552 [0,1,0,0,0,1|2,0,0]=4 3927 B12R1.21 C[C@@H](O)COC1CCC(=O)NC1 34a_100000079199_100009817552 [0,1,0,0,0,1|2,0,0]=4 3928 B12R1.49 CCC(C)NC1CCC(=O)NC1 2230a_100000748762_100000758301 [0,1,0,0,0,1|2,0,0]=4 3929 B12R1.49 CCC(C)NC1CCC(=O)NC1 34a_100000748762_100011215416 [0,1,0,0,0,1|2,0,0]=4 3930 B12R1.49 CCC(C)OC1CCC(=O)CC1 34a_100000764474_100011215416 [0,1,0,0,0,1|2,0,0]=4 3931 B12R1.49 CCC(C)OC1CCC(=O)CC1 7a_100000764474_100000758301 [0,1,0,0,0,1|2,0,0]=4 3932 B12R1.49 CCC(C)OC1CCC(=O)NC1 34a_100000079199_100011215416 [0,1,0,0,0,1|2,0,0]=4 3933 B12R1.69 CCCNC1CCC(=O)NC1=O 2230a_100000691121_100000210303 [0,1,0,0,0,1|2,0,0]=4 3934 B12R1.69 CCCNC1CCC(=O)NC1=O 34a_100000691121_100000210303 [0,1,0,0,0,1|2,0,0]=4 3935 B12R1.69 CCCSC1CCC(=O)NC1=O 62a_100000210303_100000694648 [0,1,0,0,0,1|2,0,0]=4 3936 B12R1.69 CCCSC1CCC(=O)NC1=O 62a_100000694648_100000210303 [0,1,0,0,0,1|2,0,0]=4 3937 B12R1.385 CCCNC1CCC(=O)N(C1)C 2230a_100011935005_100000210303 [0,1,0,0,0,1|2,0,0]=4 3938 B12R1.385 CCCNC1CCC(=O)N(C1)C 34a_100011935005_100000210303 [0,1,0,0,0,1|2,0,0]=4 3939 B12R1.2259 CCCOC1(CCC(=O)CC1)C 34a_100012184276_100000210303 [0,1,0,0,0,1|2,0,0]=4 3940 B12R1.2259 CCCOC1(CCC(=O)CC1)C 7a_100012184276_100000210303 [0,1,0,0,0,1|2,0,0]=4 3941 B12R1.17 CCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210303 [0,1,0,0,0,1|1,0,1]=4 3942 B12R1.17 CCCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210303 [0,1,0,0,0,1|1,0,1]=4 3943 B12R1.17 CCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210303 [0,1,0,0,0,1|1,0,1]=4 3944 B12R1.17 CCCC(C)N1CCNC(=O)C1 2230a_100000184651_100000766640 [0,1,0,0,0,1|2,0,0]=4 3945 B12R1.17 CCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000211909 [0,1,0,0,0,1|2,0,0]=4 3946 B12R1.17 CCCC(C)N1CCOC(=O)C1 2230a_100000131268_100000766640 [0,1,0,0,0,1|2,0,0]=4 3947 B12R1.17 CCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000211909 [0,1,0,0,0,1|2,0,0]=4 3948 B12R1.25 CCCCN1CCNC(=O)C1C 2230a_100000750721_100000210211 [0,1,0,0,0,1|2,0,0]=4 3949 B12R1.25 CCCCN1CCNC(=O)C1C 269982a_100000750721_100000210211 [0,1,0,0,0,1|2,0,0]=4 3950 B12R1.25 CCCCN1CCNC(=O)C1C 34a_100000750721_100000210210 [0,1,0,0,0,1|2,0,0]=4 3951 B12R1.25 CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210202 [0,1,0,0,0,1|2,0,0]=4 3952 B12R1.25 CCNCC1CCCC(=O)N1C 34a_200010383782_100000210202 [0,1,0,0,0,1|2,0,0]=4 3953 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,1,0,0,0,1|2,0,0]=4 3954 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,1,0,0,0,1|2,0,0]=4 3955 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,1,0,0,0,1|1,0,0]=3 3956 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,1,0,0,0,1|1,0,0]=3 3957 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,1,0,0,0,1|2,0,0]=4 3958 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,1,0,0,0,1|1,0,0]=3 3959 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,1,0,0,0,1|1,0,0]=3 3960 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,1,0,0,0,1|1,0,0]=3 3961 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,1,0,0,0,1|1,0,0]=3 3962 B12R1.28 CCCOCC1COCC(=O)N1 34a_200000101122_100000210303 [0,1,0,0,0,1|1,0,0]=3 3963 B12R1.28 CCOCCN1CCNC(=O)C1 2230a_100000184651_100011215890 [0,1,0,0,0,1|2,0,0]=4 3964 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [0,1,0,0,0,1|2,0,0]=4 3965 B12R1.28 CCSCCN1CCNC(=O)C1 2230a_100000184651_100000757381 [0,1,0,0,0,1|2,0,0]=4 3966 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [0,1,0,0,0,1|2,0,0]=4 3967 B12R1.28 CNCCCN1CCNC(=O)C1 2230a_100000757908_200000210301 [0,1,0,0,0,1|2,0,0]=4 3968 B12R1.28 COCCCN1CCNC(=O)C1 2230a_100000184651_100000740836 [0,1,0,0,0,1|2,0,0]=4 3969 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [0,1,0,0,0,1|2,0,0]=4 3970 B12R1.28 COCCNC1CCNC(=O)C1 2230a_100016994916_100011201679 [0,1,0,0,0,1|2,0,0]=4 3971 B12R1.28 COCCNC1CCNC(=O)C1 34a_100016994916_100011201679 [0,1,0,0,0,1|2,0,0]=4 3972 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,1,0,0,0,1|2,0,0]=4 3973 B12R1.28 COCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011201679 [0,1,0,0,0,1|2,0,0]=4 3974 B12R1.28 CSCCNC1CCNC(=O)C1 2230a_100016994916_100000751147 [0,1,0,0,0,1|2,0,0]=4 3975 B12R1.28 CSCCNC1CCNC(=O)C1 34a_100016994916_100000212216 [0,1,0,0,0,1|2,0,0]=4 3976 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,1,0,0,0,1|2,0,0]=4 3977 B12R1.28 CSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000212216 [0,1,0,0,0,1|2,0,0]=4 3978 B12R1.28 CSCOCC1CCCC(=O)N1 34a_200000102386_100011218213 [0,1,0,0,0,1|2,0,0]=4 3979 B12R1.28 CSCOCC1CCNC(=O)C1 34a_100009886756_100011218213 [0,1,0,0,0,1|2,0,0]=4 3980 B12R1.28 CSCOCC1COCC(=O)N1 34a_200000101122_100011218213 [0,1,0,0,0,1|2,0,0]=4 3981 B12R1.28 O=C1CC(CCN1)COCCF 34a_100009886756_100011217306 [0,1,0,0,0,1|2,0,0]=4 3982 B12R1.28 O=C1CC(CCN1)COCCO 34a_100009886756_100000211926 [0,1,0,0,0,1|2,0,0]=4 3983 B12R1.28 O=C1CC(CCN1)NCCCF 2230a_100016994916_100011934791 [0,1,0,0,0,1|2,0,0]=4 3984 B12R1.28 O=C1CC(CCN1)NCCCF 34a_100016994916_100011934791 [0,1,0,0,0,1|2,0,0]=4 3985 B12R1.28 O=C1CC(CCN1)NCCCO 2230a_100016994916_100000230001 [0,1,0,0,0,1|2,0,0]=4 3986 B12R1.28 O=C1CC(CCN1)NCCCO 34a_100016994916_100000230001 [0,1,0,0,0,1|2,0,0]=4 3987 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,1,0,0,0,1|2,0,0]=4 3988 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,1,0,0,0,1|2,0,0]=4 3989 B12R1.28 O=C1CCCC(N1)COCCF 34a_200000102386_100011217306 [0,1,0,0,0,1|2,0,0]=4 3990 B12R1.28 O=C1CCCC(N1)COCCO 34a_200000102386_100000211926 [0,1,0,0,0,1|2,0,0]=4 3991 B12R1.28 O=C1CN(CCN1)CCCCF 2230a_100000184651_100000729493 [0,1,0,0,0,1|2,0,0]=4 3992 B12R1.28 O=C1CN(CCN1)CCCCO 2230a_100000184651_100000210776 [0,1,0,0,0,1|2,0,0]=4 3993 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [0,1,0,0,0,1|2,0,0]=4 3994 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [0,1,0,0,0,1|2,0,0]=4 3995 B12R1.28 O=C1COCC(N1)COCCF 34a_200000101122_100011217306 [0,1,0,0,0,1|2,0,0]=4 3996 B12R1.28 O=C1COCC(N1)COCCO 34a_200000101122_100000211926 [0,1,0,0,0,1|2,0,0]=4 3997 B12R1.28 O=C1C[C@@H](CCN1)OCCCF 34a_100015189427_100011934791 [0,1,0,0,0,1|2,0,0]=4 3998 B12R1.28 O=C1C[C@@H](CCN1)OCCCO 34a_100015189427_100000230001 [0,1,0,0,0,1|2,0,0]=4 3999 B12R1.28 [13CH3]NCCCN1CCNC(=O)C1 2230a_100000757908_200025704644 [0,1,0,0,0,1|2,0,0]=4 4000 B12R1.50 CCC(C)CN1CCNC(=O)C1 2230a_100000184651_100000748023 [0,1,0,0,0,1|2,0,0]=4 4001 B12R1.50 CCC(C)CN1CCNC(=O)C1 270004a_100000184651_100000243153 [0,1,0,0,0,1|2,0,0]=4 4002 B12R1.50 CCC(C)CN1CCOC(=O)C1 2230a_100000131268_100000748023 [0,1,0,0,0,1|2,0,0]=4 4003 B12R1.50 CCC(C)CN1CCOC(=O)C1 270004a_100000131268_100000243153 [0,1,0,0,0,1|2,0,0]=4 4004 B12R1.50 CCC(C)NC1CCNC(=O)C1 2230a_100016994916_100000758301 [0,1,0,0,0,1|2,0,0]=4 4005 B12R1.50 CCC(C)NC1CCNC(=O)C1 34a_100016994916_100011215416 [0,1,0,0,0,1|2,0,0]=4 4006 B12R1.50 CCC(C)OC1CCCC(=O)C1 34a_100012613340_100011215416 [0,1,0,0,0,1|2,0,0]=4 4007 B12R1.50 CCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100011215416 [0,1,0,0,0,1|2,0,0]=4 4008 B12R1.50 CCC(O)CN1CCNC(=O)C1 2230a_100000184651_100011218378 [0,1,0,0,0,1|2,0,0]=4 4009 B12R1.50 CCC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218378 [0,1,0,0,0,1|2,0,0]=4 4010 B12R1.50 CC[C@H](C)CN1CCNC(=O)C1 2230a_100000184651_100009816398 [0,1,0,0,0,1|2,0,0]=4 4011 B12R1.50 CC[C@H](C)CN1CCOC(=O)C1 2230a_100000131268_100009816398 [0,1,0,0,0,1|2,0,0]=4 4012 B12R1.226 CC(C)CCN1CCNC(=O)C1 2230a_100000184651_100000210312 [0,1,0,0,0,1|2,0,0]=4 4013 B12R1.226 CC(C)CCN1CCOC(=O)C1 2230a_100000131268_100000210312 [0,1,0,0,0,1|2,0,0]=4 4014 B12R1.226 CC(C)CNC1CCNC(=O)C1 2230a_100016994916_100000210760 [0,1,0,0,0,1|2,0,0]=4 4015 B12R1.226 CC(C)CNC1CCNC(=O)C1 34a_100016994916_100000210624 [0,1,0,0,0,1|2,0,0]=4 4016 B12R1.226 CC(C)COC1CCCC(=O)C1 34a_100012613340_100000210624 [0,1,0,0,0,1|2,0,0]=4 4017 B12R1.226 CC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210624 [0,1,0,0,0,1|2,0,0]=4 4018 B12R1.226 CC(C)OCC1CCCC(=O)N1 34a_200000102386_100000210206 [0,1,0,0,0,1|2,0,0]=4 4019 B12R1.226 CC(C)OCC1CCNC(=O)C1 34a_100009886756_100000210206 [0,1,0,0,0,1|2,0,0]=4 4020 B12R1.226 CC(C)OCC1COCC(=O)N1 34a_200000101122_100000210206 [0,1,0,0,0,1|2,0,0]=4 4021 B12R1.226 CC(O)CCN1CCNC(=O)C1 2230a_100000184651_100012276601 [0,1,0,0,0,1|2,0,0]=4 4022 B12R1.226 CC(O)CCN1CCOC(=O)C1 2230a_100000131268_100012276601 [0,1,0,0,0,1|2,0,0]=4 4023 B12R1.226 CC(O)CNC1CCNC(=O)C1 2230a_100016994916_100011218427 [0,1,0,0,0,1|2,0,0]=4 4024 B12R1.226 CC(O)CNC1CCNC(=O)C1 34a_100016994916_100011218427 [0,1,0,0,0,1|2,0,0]=4 4025 B12R1.226 CC(O)COC1CCCC(=O)C1 34a_100012613340_100011218427 [0,1,0,0,0,1|2,0,0]=4 4026 B12R1.226 CC(O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218427 [0,1,0,0,0,1|2,0,0]=4 4027 B12R1.226 C[C@@H](O)CNC1CCNC(=O)C1 2230a_100016994916_100009817552 [0,1,0,0,0,1|2,0,0]=4 4028 B12R1.226 C[C@@H](O)CNC1CCNC(=O)C1 34a_100016994916_100009817552 [0,1,0,0,0,1|2,0,0]=4 4029 B12R1.226 C[C@@H](O)COC1CCCC(=O)C1 34a_100012613340_100009817552 [0,1,0,0,0,1|2,0,0]=4 4030 B12R1.226 C[C@@H](O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100009817552 [0,1,0,0,0,1|2,0,0]=4 4031 B12R1.29 C#CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000753159 [0,2,0,0,0,0|0,0,2]=4 4032 B12R1.29 C/C=C/CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100102629194 [0,2,0,0,0,0|0,0,2]=4 4033 B12R1.29 C=CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000754431 [0,2,0,0,0,0|0,0,2]=4 4034 B12R1.29 CC#CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000748600 [0,2,0,0,0,0|0,0,2]=4 4035 B12R1.29 CC=CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000070051 [0,2,0,0,0,0|0,0,2]=4 4036 B12R1.29 CCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210211 [0,2,0,0,0,0|1,0,0]=3 4037 B12R1.29 CCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210211 [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.29 CCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210211 [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.29 CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210211 [0,2,0,0,0,0|0,0,0]=2 4040 B12R1.29 CCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210211 [0,2,0,0,0,0|2,0,0]=4 4041 B12R1.29 CCCNC(=O)C1CCC(=O)N1 240690a_100020643023_100000210400 [0,2,0,0,0,0|1,0,1]=4 4042 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 11a_100020643023_100009814974 [0,2,0,0,0,0|0,0,1]=3 4043 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100020643023_100009814974 [0,2,0,0,0,0|0,0,1]=3 4044 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100020643023_100009814974 [0,2,0,0,0,0|0,0,1]=3 4045 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 527a_100020643023_100009814974 [0,2,0,0,0,0|0,0,1]=3 4046 B12R1.29 CCNNC(=O)[C@@H]1CCC(=O)O1 22a_100000756455_100009814974 [0,2,0,0,0,0|1,0,1]=4 4047 B12R1.29 COCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000233755 [0,2,0,0,0,0|1,0,1]=4 4048 B12R1.29 COCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000233755 [0,2,0,0,0,0|0,0,1]=3 4049 B12R1.29 CSCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000751147 [0,2,0,0,0,0|1,0,1]=4 4050 B12R1.29 CSCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000751147 [0,2,0,0,0,0|0,0,1]=3 4051 B12R1.29 N#CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215226 [0,2,0,0,0,0|0,0,2]=4 4052 B12R1.29 O=C1CCC(N1)C(=O)CCCF 1458a_100000210400_100011934791 [0,2,0,0,0,0|1,0,1]=4 4053 B12R1.29 O=C1CCC(N1)C(=O)CCCO 1458a_100000210400_100011215043 [0,2,0,0,0,0|1,0,1]=4 4054 B12R1.29 O=C1CC[C@H](O1)C(=O)CCCF 1458a_100009814974_100011934791 [0,2,0,0,0,0|0,0,1]=3 4055 B12R1.29 O=C1CC[C@H](O1)C(=O)CCCO 1458a_100009814974_100011215043 [0,2,0,0,0,0|0,0,1]=3 4056 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 11a_100000724931_100009814974 [0,2,0,0,0,0|1,0,1]=4 4057 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 1626a_100000724931_100009814974 [0,2,0,0,0,0|1,0,1]=4 4058 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 240690a_100000724931_100009814974 [0,2,0,0,0,0|1,0,1]=4 4059 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCF 527a_100000724931_100009814974 [0,2,0,0,0,0|1,0,1]=4 4060 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCO 240690a_100000210304_100009814974 [0,2,0,0,0,0|1,0,1]=4 4061 B12R1.29 O=C1CC[C@H](O1)C(=O)NCCO 527a_100000210304_100009814974 [0,2,0,0,0,0|1,0,1]=4 4062 B12R1.33 CCC(C)C(=O)C1CCC(=O)N1 1458a_100000210400_100000758301 [0,2,0,0,0,0|1,0,1]=4 4063 B12R1.33 CCC(C)C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000758301 [0,2,0,0,0,0|0,0,1]=3 4064 B12R1.33 CCN(C)C(=O)[C@@H]1CCC(=O)O1 11a_100000225621_100009814974 [0,2,0,0,0,0|1,0,1]=4 4065 B12R1.33 CCN(C)C(=O)[C@@H]1CCC(=O)O1 1626a_100000225621_100009814974 [0,2,0,0,0,0|1,0,1]=4 4066 B12R1.33 CCN(C)C(=O)[C@@H]1CCC(=O)O1 240690a_100000225621_100009814974 [0,2,0,0,0,0|1,0,1]=4 4067 B12R1.33 CCN(C)C(=O)[C@@H]1CCC(=O)O1 527a_100000225621_100009814974 [0,2,0,0,0,0|1,0,1]=4 4068 B12R1.103 C=C(C)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000748629 [0,2,0,0,0,0|0,0,2]=4 4069 B12R1.103 CC(C)CC(=O)C1CCC(=O)N1 1458a_100000210400_100000210624 [0,2,0,0,0,0|1,0,1]=4 4070 B12R1.103 CC(C)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210624 [0,2,0,0,0,0|0,0,1]=3 4071 B12R1.103 CC(C)NC(=O)[C@@H]1CCC(=O)O1 11a_100138425928_100009814974 [0,2,0,0,0,0|1,0,1]=4 4072 B12R1.103 CC(C)NC(=O)[C@@H]1CCC(=O)O1 1626a_100138425928_100009814974 [0,2,0,0,0,0|1,0,1]=4 4073 B12R1.103 CC(C)NC(=O)[C@@H]1CCC(=O)O1 240690a_100138425928_100009814974 [0,2,0,0,0,0|1,0,1]=4 4074 B12R1.103 CC(C)NC(=O)[C@@H]1CCC(=O)O1 527a_100138425928_100009814974 [0,2,0,0,0,0|1,0,1]=4 4075 B12R1.103 CC(O)CC(=O)C1CCC(=O)N1 1458a_100000210400_100011218427 [0,2,0,0,0,0|1,0,1]=4 4076 B12R1.103 CC(O)CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011218427 [0,2,0,0,0,0|0,0,1]=3 4077 B12R1.103 O=C1CC[C@H](O1)C(=O)CC(F)F 1458a_100009814974_100011934356 [0,2,0,0,0,0|1,0,1]=4 4078 B12R1.1579 CCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210303 [0,2,0,0,0,0|1,0,1]=4 4079 B12R1.7 C#CCCCNC1COC(=O)O1 34a_100000718082_100000032252 [0,2,0,0,0,0|1,0,1]=4 4080 B12R1.7 C#CCCCOC1CCC(=O)C1 34a_100012614533_100000695029 [0,2,0,0,0,0|1,0,1]=4 4081 B12R1.7 C#CCCCOC1COC(=O)O1 34a_100000215630_100000032252 [0,2,0,0,0,0|1,0,1]=4 4082 B12R1.7 C#CCCCSC1COC(=O)O1 62a_100011215417_100000032252 [0,2,0,0,0,0|1,0,1]=4 4083 B12R1.7 C#CCCNCC1CNC(=O)O1 34a_100000755551_100000181169 [0,2,0,0,0,0|1,0,1]=4 4084 B12R1.7 C#CCCNCC1COC(=O)O1 34a_100000755551_100000073702 [0,2,0,0,0,0|1,0,1]=4 4085 B12R1.7 C#CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000688953 [0,2,0,0,0,0|1,0,1]=4 4086 B12R1.7 C#CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000688953 [0,2,0,0,0,0|1,0,1]=4 4087 B12R1.7 C#CCCOCC1CCC(=O)N1 34a_100000737831_100000688953 [0,2,0,0,0,0|1,0,1]=4 4088 B12R1.7 C#CCCOCC1CNC(=O)O1 34a_100011215631_100000181169 [0,2,0,0,0,0|1,0,1]=4 4089 B12R1.7 C#CCCOCC1CNC(=O)O1 34a_100011315639_100000688953 [0,2,0,0,0,0|1,0,1]=4 4090 B12R1.7 C#CCCOCC1COC(=O)O1 34a_100011215631_100000073702 [0,2,0,0,0,0|1,0,1]=4 4091 B12R1.7 C#CCCSCC1CNC(=O)O1 62a_100000181169_100000688953 [0,2,0,0,0,0|1,0,1]=4 4092 B12R1.7 C#CCCSCC1CNC(=O)O1 62a_100000688953_100000181169 [0,2,0,0,0,0|1,0,1]=4 4093 B12R1.7 C#CCCSCC1COC(=O)O1 62a_100000073702_100000688953 [0,2,0,0,0,0|1,0,1]=4 4094 B12R1.7 C#CCCSCC1COC(=O)O1 62a_100000688953_100000073702 [0,2,0,0,0,0|1,0,1]=4 4095 B12R1.7 C#CCCSC[C@@H]1CCC(=O)N1 62a_100000688953_100015189358 [0,2,0,0,0,0|1,0,1]=4 4096 B12R1.7 C#CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000688953 [0,2,0,0,0,0|1,0,1]=4 4097 B12R1.7 C/C=C/CCOC1COC(=O)O1 34a_100016278192_100000032252 [0,2,0,0,0,0|1,0,1]=4 4098 B12R1.7 C/C=C/CNC[C@H]1CCC(=O)N1 34a_100015423886_100102629194 [0,2,0,0,0,0|1,0,1]=4 4099 B12R1.7 C/C=C/COCC1CCC(=O)N1 34a_100000737831_100102629194 [0,2,0,0,0,0|1,0,1]=4 4100 B12R1.7 C/C=C/COCC1CNC(=O)O1 34a_100011315639_100102629194 [0,2,0,0,0,0|1,0,1]=4 4101 B12R1.7 C/C=C/COCC1CNC(=O)O1 34a_100016270725_100000181169 [0,2,0,0,0,0|1,0,1]=4 4102 B12R1.7 C/C=C/COCC1COC(=O)O1 34a_100016270725_100000073702 [0,2,0,0,0,0|1,0,1]=4 4103 B12R1.7 C/C=C/CSCC1CNC(=O)O1 62a_100000181169_100102629194 [0,2,0,0,0,0|1,0,1]=4 4104 B12R1.7 C/C=C/CSCC1CNC(=O)O1 62a_100102629194_100000181169 [0,2,0,0,0,0|1,0,1]=4 4105 B12R1.7 C/C=C/CSCC1COC(=O)O1 62a_100000073702_100102629194 [0,2,0,0,0,0|1,0,1]=4 4106 B12R1.7 C/C=C/CSCC1COC(=O)O1 62a_100102629194_100000073702 [0,2,0,0,0,0|1,0,1]=4 4107 B12R1.7 C/C=C/CSC[C@@H]1CCC(=O)N1 62a_100015189358_100102629194 [0,2,0,0,0,0|1,0,1]=4 4108 B12R1.7 C/C=C/CSC[C@@H]1CCC(=O)N1 62a_100102629194_100015189358 [0,2,0,0,0,0|1,0,1]=4 4109 B12R1.7 C=CCCCNC1COC(=O)O1 34a_100000700776_100000032252 [0,2,0,0,0,0|1,0,1]=4 4110 B12R1.7 C=CCCCOC1CCC(=O)C1 34a_100012614533_100000757094 [0,2,0,0,0,0|1,0,1]=4 4111 B12R1.7 C=CCCCOC1COC(=O)O1 34a_100000758997_100000032252 [0,2,0,0,0,0|1,0,1]=4 4112 B12R1.7 C=CCCCSC1COC(=O)O1 62a_100011713584_100000032252 [0,2,0,0,0,0|1,0,1]=4 4113 B12R1.7 C=CCCNCC1CNC(=O)O1 2230a_100015191253_100000181169 [0,2,0,0,0,0|1,0,1]=4 4114 B12R1.7 C=CCCNC[C@@H]1CCC(=O)N1 2230a_100015191253_100015189358 [0,2,0,0,0,0|1,0,1]=4 4115 B12R1.7 C=CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000754431 [0,2,0,0,0,0|1,0,1]=4 4116 B12R1.7 C=CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000754431 [0,2,0,0,0,0|1,0,1]=4 4117 B12R1.7 C=CCCOCC1CCC(=O)N1 34a_100000737831_100000754431 [0,2,0,0,0,0|1,0,1]=4 4118 B12R1.7 C=CCCOCC1CNC(=O)O1 34a_100011205117_100000181169 [0,2,0,0,0,0|1,0,1]=4 4119 B12R1.7 C=CCCOCC1CNC(=O)O1 34a_100011315639_100000754431 [0,2,0,0,0,0|1,0,1]=4 4120 B12R1.7 C=CCCOCC1COC(=O)O1 34a_100011205117_100000073702 [0,2,0,0,0,0|1,0,1]=4 4121 B12R1.7 C=CCCSCC1CNC(=O)O1 62a_100000181169_100000754431 [0,2,0,0,0,0|1,0,1]=4 4122 B12R1.7 C=CCCSCC1CNC(=O)O1 62a_100000754431_100000181169 [0,2,0,0,0,0|1,0,1]=4 4123 B12R1.7 C=CCCSCC1COC(=O)O1 62a_100000073702_100000754431 [0,2,0,0,0,0|1,0,1]=4 4124 B12R1.7 C=CCCSCC1COC(=O)O1 62a_100000754431_100000073702 [0,2,0,0,0,0|1,0,1]=4 4125 B12R1.7 C=CCCSC[C@@H]1CCC(=O)N1 62a_100000754431_100015189358 [0,2,0,0,0,0|1,0,1]=4 4126 B12R1.7 C=CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000754431 [0,2,0,0,0,0|1,0,1]=4 4127 B12R1.7 CC#CCCOC1COC(=O)O1 34a_100000750427_100000032252 [0,2,0,0,0,0|1,0,1]=4 4128 B12R1.7 CC#CCNCC1CNC(=O)O1 2230a_100000685387_100000181169 [0,2,0,0,0,0|1,0,1]=4 4129 B12R1.7 CC#CCNCC1CNC(=O)O1 34a_100000685387_100000181169 [0,2,0,0,0,0|1,0,1]=4 4130 B12R1.7 CC#CCNCC1COC(=O)O1 34a_100000685387_100000073702 [0,2,0,0,0,0|1,0,1]=4 4131 B12R1.7 CC#CCNC[C@@H]1CCC(=O)N1 2230a_100000685387_100015189358 [0,2,0,0,0,0|1,0,1]=4 4132 B12R1.7 CC#CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000748600 [0,2,0,0,0,0|1,0,1]=4 4133 B12R1.7 CC#CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000748600 [0,2,0,0,0,0|1,0,1]=4 4134 B12R1.7 CC#CCOCC1CCC(=O)N1 34a_100000737831_100000748600 [0,2,0,0,0,0|1,0,1]=4 4135 B12R1.7 CC#CCOCC1CNC(=O)O1 34a_100000761923_100000181169 [0,2,0,0,0,0|1,0,1]=4 4136 B12R1.7 CC#CCOCC1CNC(=O)O1 34a_100011315639_100000748600 [0,2,0,0,0,0|1,0,1]=4 4137 B12R1.7 CC#CCOCC1COC(=O)O1 34a_100000761923_100000073702 [0,2,0,0,0,0|1,0,1]=4 4138 B12R1.7 CC#CCSCC1CNC(=O)O1 62a_100000181169_100000748600 [0,2,0,0,0,0|1,0,1]=4 4139 B12R1.7 CC#CCSCC1CNC(=O)O1 62a_100000748600_100000181169 [0,2,0,0,0,0|1,0,1]=4 4140 B12R1.7 CC#CCSCC1COC(=O)O1 62a_100000073702_100000748600 [0,2,0,0,0,0|1,0,1]=4 4141 B12R1.7 CC#CCSCC1COC(=O)O1 62a_100000748600_100000073702 [0,2,0,0,0,0|1,0,1]=4 4142 B12R1.7 CC#CCSC[C@@H]1CCC(=O)N1 62a_100000748600_100015189358 [0,2,0,0,0,0|1,0,1]=4 4143 B12R1.7 CC#CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000748600 [0,2,0,0,0,0|1,0,1]=4 4144 B12R1.7 CC/C=C\COC1CCC(=O)C1 34a_100012614533_100103147603 [0,2,0,0,0,0|1,0,1]=4 4145 B12R1.7 CC/C=C\COC1COC(=O)O1 34a_100016268518_100000032252 [0,2,0,0,0,0|1,0,1]=4 4146 B12R1.7 CC/C=C\CSC1COC(=O)O1 62a_100103147603_100000032252 [0,2,0,0,0,0|1,0,1]=4 4147 B12R1.7 CC=CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000070051 [0,2,0,0,0,0|1,0,1]=4 4148 B12R1.7 CC=CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000070051 [0,2,0,0,0,0|1,0,1]=4 4149 B12R1.7 CC=CCOCC1CCC(=O)N1 34a_100000737831_100000070051 [0,2,0,0,0,0|1,0,1]=4 4150 B12R1.7 CC=CCOCC1CNC(=O)O1 34a_100011315639_100000070051 [0,2,0,0,0,0|1,0,1]=4 4151 B12R1.7 CC=CCSCC1CNC(=O)O1 62a_100000070051_100000181169 [0,2,0,0,0,0|1,0,1]=4 4152 B12R1.7 CC=CCSCC1CNC(=O)O1 62a_100000181169_100000070051 [0,2,0,0,0,0|1,0,1]=4 4153 B12R1.7 CC=CCSCC1COC(=O)O1 62a_100000070051_100000073702 [0,2,0,0,0,0|1,0,1]=4 4154 B12R1.7 CC=CCSCC1COC(=O)O1 62a_100000073702_100000070051 [0,2,0,0,0,0|1,0,1]=4 4155 B12R1.7 CC=CCSC[C@@H]1CCC(=O)N1 62a_100000070051_100015189358 [0,2,0,0,0,0|1,0,1]=4 4156 B12R1.7 CC=CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000070051 [0,2,0,0,0,0|1,0,1]=4 4157 B12R1.7 CCC#CCOC1CCC(=O)C1 34a_100012614533_100009813939 [0,2,0,0,0,0|1,0,1]=4 4158 B12R1.7 CCC#CCOC1COC(=O)O1 34a_100000032950_100000032252 [0,2,0,0,0,0|1,0,1]=4 4159 B12R1.7 CCC#CCSC1COC(=O)O1 62a_100009813939_100000032252 [0,2,0,0,0,0|1,0,1]=4 4160 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,2,0,0,0,0|2,0,0]=4 4161 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,2,0,0,0,0|1,0,0]=3 4162 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,2,0,0,0,0|1,0,0]=3 4164 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,2,0,0,0,0|1,0,0]=3 4165 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,2,0,0,0,0|2,0,0]=4 4167 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,2,0,0,0,0|1,0,0]=3 4168 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,2,0,0,0,0|1,0,0]=3 4169 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [0,2,0,0,0,0|1,0,0]=3 4170 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [0,2,0,0,0,0|1,0,0]=3 4171 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [0,2,0,0,0,0|1,0,0]=3 4172 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [0,2,0,0,0,0|1,0,0]=3 4173 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,2,0,0,0,0|2,0,0]=4 4174 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,2,0,0,0,0|2,0,0]=4 4175 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,2,0,0,0,0|1,0,0]=3 4176 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,2,0,0,0,0|1,0,0]=3 4178 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,2,0,0,0,0|1,0,0]=3 4179 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,2,0,0,0,0|1,0,0]=3 4180 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,2,0,0,0,0|1,0,0]=3 4181 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,2,0,0,0,0|1,0,0]=3 4182 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,2,0,0,0,0|2,0,0]=4 4183 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,2,0,0,0,0|2,0,0]=4 4184 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,2,0,0,0,0|1,0,0]=3 4185 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,2,0,0,0,0|1,0,0]=3 4186 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,2,0,0,0,0|1,0,0]=3 4187 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,2,0,0,0,0|1,0,0]=3 4188 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [0,2,0,0,0,0|1,0,0]=3 4189 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [0,2,0,0,0,0|1,0,0]=3 4190 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,2,0,0,0,0|2,0,0]=4 4191 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,2,0,0,0,0|2,0,0]=4 4192 B12R1.7 CCCSCCC1COS(=O)O1 62a_100000210303_100009840081 [0,2,0,0,0,0|2,0,0]=4 4193 B12R1.7 CCOCCNC1CNC(=O)C1 2230a_100000697751_100011215890 [0,2,0,0,0,0|2,0,0]=4 4194 B12R1.7 CCOCCNC1COC(=O)O1 34a_102516460346_100000032252 [0,2,0,0,0,0|1,0,0]=3 4195 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,2,0,0,0,0|1,0,0]=3 4196 B12R1.7 CCOCCOC1CNC(=O)C1 34a_100000690082_100000210147 [0,2,0,0,0,0|2,0,0]=4 4197 B12R1.7 CCOCCOC1COC(=O)O1 34a_100000210136_100000032252 [0,2,0,0,0,0|1,0,0]=3 4198 B12R1.7 CCOCCSC1COC(=O)O1 62a_100000210147_100000032252 [0,2,0,0,0,0|1,0,0]=3 4199 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000181169_100000739092 [0,2,0,0,0,0|1,0,0]=3 4200 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000739092_100000181169 [0,2,0,0,0,0|1,0,0]=3 4201 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000073702_100000739092 [0,2,0,0,0,0|1,0,0]=3 4202 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000739092_100000073702 [0,2,0,0,0,0|1,0,0]=3 4203 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100000739092_100015189358 [0,2,0,0,0,0|1,0,0]=3 4204 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000739092 [0,2,0,0,0,0|1,0,0]=3 4205 B12R1.7 CCOCSC[C@H]1COC(=O)N1 62a_100000739092_100015307671 [0,2,0,0,0,0|2,0,0]=4 4206 B12R1.7 CCOCSC[C@H]1COC(=O)N1 62a_100015307671_100000739092 [0,2,0,0,0,0|2,0,0]=4 4207 B12R1.7 CCSCCNC1CNC(=O)C1 2230a_100000697751_100000757381 [0,2,0,0,0,0|2,0,0]=4 4208 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,2,0,0,0,0|1,0,0]=3 4209 B12R1.7 CCSCCOC1CNC(=O)C1 34a_100000690082_100000757381 [0,2,0,0,0,0|2,0,0]=4 4210 B12R1.7 CCSCCOC1COC(=O)O1 34a_100000212035_100000032252 [0,2,0,0,0,0|1,0,0]=3 4211 B12R1.7 CCSCCSC1COC(=O)O1 62a_100000757381_100000032252 [0,2,0,0,0,0|1,0,0]=3 4212 B12R1.7 CNCCCOC1COC(=O)O1 34a_100000213112_100000032252 [0,2,0,0,0,0|1,0,0]=3 4213 B12R1.7 COCCCNC1CNC(=O)C1 2230a_100000697751_100000740836 [0,2,0,0,0,0|2,0,0]=4 4214 B12R1.7 COCCCNC1COC(=O)O1 34a_100150723488_100000032252 [0,2,0,0,0,0|1,0,0]=3 4215 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,2,0,0,0,0|1,0,0]=3 4216 B12R1.7 COCCCOC1CNC(=O)C1 34a_100000690082_100000740836 [0,2,0,0,0,0|2,0,0]=4 4217 B12R1.7 COCCCOC1COC(=O)O1 34a_100000740835_100000032252 [0,2,0,0,0,0|1,0,0]=3 4218 B12R1.7 COCCCSC1COC(=O)O1 62a_100000709357_100000032252 [0,2,0,0,0,0|1,0,0]=3 4219 B12R1.7 COCCNCC1CNC(=O)C1 2230a_100016993742_100011201679 [0,2,0,0,0,0|2,0,0]=4 4220 B12R1.7 COCCNCC1CNC(=O)C1 34a_100016993742_100011201679 [0,2,0,0,0,0|2,0,0]=4 4221 B12R1.7 COCCNCC1CNC(=O)O1 2230a_100000209980_100000181169 [0,2,0,0,0,0|1,0,0]=3 4222 B12R1.7 COCCNC[C@@H]1CCC(=O)N1 2230a_100000209980_100015189358 [0,2,0,0,0,0|1,0,0]=3 4223 B12R1.7 COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011201679 [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.7 COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011201679 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.7 COCCNC[C@H]1COC(=O)N1 2230a_100000209980_100015307671 [0,2,0,0,0,0|2,0,0]=4 4226 B12R1.7 COCCOCC1CCC(=O)N1 34a_100000737831_100011201679 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.7 COCCOCC1CNC(=O)C1 34a_100016041077_100011201679 [0,2,0,0,0,0|2,0,0]=4 4228 B12R1.7 COCCOCC1CNC(=O)O1 34a_100000210237_100000181169 [0,2,0,0,0,0|1,0,0]=3 4229 B12R1.7 COCCOCC1CNC(=O)O1 34a_100011315639_100011201679 [0,2,0,0,0,0|1,0,0]=3 4230 B12R1.7 COCCOCC1COC(=O)O1 34a_100000210237_100000073702 [0,2,0,0,0,0|1,0,0]=3 4231 B12R1.7 COCCOC[C@H]1COC(=O)N1 34a_100000210237_100015307671 [0,2,0,0,0,0|2,0,0]=4 4232 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000181169_100000233755 [0,2,0,0,0,0|1,0,0]=3 4233 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000233755_100000181169 [0,2,0,0,0,0|1,0,0]=3 4234 B12R1.7 COCCSCC1COC(=O)O1 62a_100000073702_100000233755 [0,2,0,0,0,0|1,0,0]=3 4235 B12R1.7 COCCSCC1COC(=O)O1 62a_100000233755_100000073702 [0,2,0,0,0,0|1,0,0]=3 4236 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100000233755_100015189358 [0,2,0,0,0,0|1,0,0]=3 4237 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000233755 [0,2,0,0,0,0|1,0,0]=3 4238 B12R1.7 COCCSC[C@H]1COC(=O)N1 62a_100000233755_100015307671 [0,2,0,0,0,0|2,0,0]=4 4239 B12R1.7 COCCSC[C@H]1COC(=O)N1 62a_100015307671_100000233755 [0,2,0,0,0,0|2,0,0]=4 4240 B12R1.7 COCSCCC1COS(=O)O1 62a_100000766300_100009840081 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.7 CSCCCOC1COC(=O)O1 34a_100000690336_100000032252 [0,2,0,0,0,0|1,0,0]=3 4242 B12R1.7 CSCCNCC1CNC(=O)C1 2230a_100016993742_100000751147 [0,2,0,0,0,0|2,0,0]=4 4243 B12R1.7 CSCCNCC1CNC(=O)C1 34a_100016993742_100000212216 [0,2,0,0,0,0|2,0,0]=4 4244 B12R1.7 CSCCNCC1CNC(=O)O1 2230a_100020590264_100000181169 [0,2,0,0,0,0|1,0,0]=3 4245 B12R1.7 CSCCNC[C@@H]1CCC(=O)N1 2230a_100020590264_100015189358 [0,2,0,0,0,0|1,0,0]=3 4246 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000751147 [0,2,0,0,0,0|1,0,0]=3 4247 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000212216 [0,2,0,0,0,0|1,0,0]=3 4248 B12R1.7 CSCCNC[C@H]1COC(=O)N1 2230a_100020590264_100015307671 [0,2,0,0,0,0|2,0,0]=4 4249 B12R1.7 CSCCOCC1CCC(=O)N1 34a_100000737831_100000212216 [0,2,0,0,0,0|1,0,0]=3 4250 B12R1.7 CSCCOCC1CNC(=O)C1 34a_100016041077_100000212216 [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100000230434_100000181169 [0,2,0,0,0,0|1,0,0]=3 4252 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100011315639_100000212216 [0,2,0,0,0,0|1,0,0]=3 4253 B12R1.7 CSCCOCC1CNC(=O)O1 7a_100000230434_100000181169 [0,2,0,0,0,0|1,0,0]=3 4254 B12R1.7 CSCCOCC1COC(=O)O1 34a_100000230434_100000073702 [0,2,0,0,0,0|1,0,0]=3 4255 B12R1.7 CSCCOC[C@@H]1CCC(=O)N1 7a_100000230434_100015189358 [0,2,0,0,0,0|1,0,0]=3 4256 B12R1.7 CSCCOC[C@H]1COC(=O)N1 34a_100000230434_100015307671 [0,2,0,0,0,0|2,0,0]=4 4257 B12R1.7 CSCCOC[C@H]1COC(=O)N1 7a_100000230434_100015307671 [0,2,0,0,0,0|2,0,0]=4 4258 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000181169_100000751147 [0,2,0,0,0,0|1,0,0]=3 4259 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000212216_100000181169 [0,2,0,0,0,0|1,0,0]=3 4260 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000073702_100000751147 [0,2,0,0,0,0|1,0,0]=3 4261 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000212216_100000073702 [0,2,0,0,0,0|1,0,0]=3 4262 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100000212216_100015189358 [0,2,0,0,0,0|1,0,0]=3 4263 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000751147 [0,2,0,0,0,0|1,0,0]=3 4264 B12R1.7 CSCCSC[C@H]1COC(=O)N1 62a_100000212216_100015307671 [0,2,0,0,0,0|2,0,0]=4 4265 B12R1.7 CSCCSC[C@H]1COC(=O)N1 62a_100015307671_100000751147 [0,2,0,0,0,0|2,0,0]=4 4266 B12R1.7 CSCSCCC1COS(=O)O1 62a_100011218213_100009840081 [0,2,0,0,0,0|2,0,0]=4 4267 B12R1.7 N#CCCCSC1COC(=O)O1 62a_100000687738_100000032252 [0,2,0,0,0,0|1,0,1]=4 4268 B12R1.7 N#CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215226 [0,2,0,0,0,0|1,0,1]=4 4269 B12R1.7 N#CCCSCC1CNC(=O)O1 62a_100000181169_100011215226 [0,2,0,0,0,0|1,0,1]=4 4270 B12R1.7 N#CCCSCC1CNC(=O)O1 62a_100011215226_100000181169 [0,2,0,0,0,0|1,0,1]=4 4271 B12R1.7 N#CCCSCC1COC(=O)O1 62a_100000073702_100011215226 [0,2,0,0,0,0|1,0,1]=4 4272 B12R1.7 N#CCCSCC1COC(=O)O1 62a_100011215226_100000073702 [0,2,0,0,0,0|1,0,1]=4 4273 B12R1.7 N#CCCSC[C@@H]1CCC(=O)N1 62a_100011215226_100015189358 [0,2,0,0,0,0|1,0,1]=4 4274 B12R1.7 N#CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215226 [0,2,0,0,0,0|1,0,1]=4 4275 B12R1.7 NCCCCOC1COC(=O)O1 34a_100000750430_100000032252 [0,2,0,0,0,0|1,0,0]=3 4276 B12R1.7 NCCCOCC1CNC(=O)O1 34a_100000182051_100000181169 [0,2,0,0,0,0|1,0,0]=3 4277 B12R1.7 NCCCOCC1COC(=O)O1 34a_100000182051_100000073702 [0,2,0,0,0,0|1,0,0]=3 4278 B12R1.7 NCCCOC[C@H]1COC(=O)N1 34a_100000182051_100015307671 [0,2,0,0,0,0|2,0,0]=4 4279 B12R1.7 NOCCOCC1CNC(=O)O1 34a_100000700252_100000181169 [0,2,0,0,0,0|2,0,0]=4 4280 B12R1.7 NOCCOCC1COC(=O)O1 34a_100000700252_100000073702 [0,2,0,0,0,0|2,0,0]=4 4281 B12R1.7 O=C1CC(CN1)CNCCCF 2230a_100016993742_100011934791 [0,2,0,0,0,0|2,0,0]=4 4282 B12R1.7 O=C1CC(CN1)CNCCCF 34a_100016993742_100011934791 [0,2,0,0,0,0|2,0,0]=4 4283 B12R1.7 O=C1CC(CN1)CNCCCO 2230a_100016993742_100000230001 [0,2,0,0,0,0|2,0,0]=4 4284 B12R1.7 O=C1CC(CN1)CNCCCO 34a_100016993742_100000230001 [0,2,0,0,0,0|2,0,0]=4 4285 B12R1.7 O=C1CC(CN1)COCCCF 34a_100016041077_100011934791 [0,2,0,0,0,0|2,0,0]=4 4286 B12R1.7 O=C1CC(CN1)COCCCO 34a_100016041077_100000230001 [0,2,0,0,0,0|2,0,0]=4 4287 B12R1.7 O=C1CC(CN1)NCCCCF 2230a_100000697751_100000729493 [0,2,0,0,0,0|2,0,0]=4 4288 B12R1.7 O=C1CC(CN1)NCCCCO 2230a_100000697751_100000210776 [0,2,0,0,0,0|2,0,0]=4 4289 B12R1.7 O=C1CC(CN1)OCCCCF 34a_100000690082_100000729493 [0,2,0,0,0,0|2,0,0]=4 4290 B12R1.7 O=C1CC(CN1)OCCCCO 34a_100000690082_100011216708 [0,2,0,0,0,0|2,0,0]=4 4291 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,2,0,0,0,0|1,0,0]=3 4292 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,2,0,0,0,0|1,0,0]=3 4293 B12R1.7 O=C1CCC(N1)COCCCF 34a_100000737831_100011934791 [0,2,0,0,0,0|1,0,0]=3 4294 B12R1.7 O=C1CCC(N1)COCCCO 34a_100000737831_100000230001 [0,2,0,0,0,0|1,0,0]=3 4295 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 2230a_100015423886_100011934791 [0,2,0,0,0,0|1,0,0]=3 4296 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 34a_100015423886_100011934791 [0,2,0,0,0,0|1,0,0]=3 4297 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 2230a_100015423886_100000230001 [0,2,0,0,0,0|1,0,0]=3 4298 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 34a_100015423886_100000230001 [0,2,0,0,0,0|1,0,0]=3 4299 B12R1.7 O=C1CC[C@H](N1)CNCCCF 2230a_100015189416_100015189358 [0,2,0,0,0,0|1,0,0]=3 4300 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100011934791_100015189358 [0,2,0,0,0,0|1,0,0]=3 4301 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100015189358_100011934791 [0,2,0,0,0,0|1,0,0]=3 4302 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100011215043_100015189358 [0,2,0,0,0,0|1,0,0]=3 4303 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100015189358_100011215043 [0,2,0,0,0,0|1,0,0]=3 4304 B12R1.7 O=C1NCC(O1)CNCCCF 2230a_100015189416_100000181169 [0,2,0,0,0,0|1,0,0]=3 4305 B12R1.7 O=C1NCC(O1)CNCCCF 34a_100015189416_100000181169 [0,2,0,0,0,0|1,0,0]=3 4306 B12R1.7 O=C1NCC(O1)COCCCBr 34a_100011217188_100000181169 [0,2,0,0,0,0|1,0,0]=3 4307 B12R1.7 O=C1NCC(O1)COCCCCl 34a_100000230001_100000181169 [0,2,0,0,0,0|1,0,0]=3 4308 B12R1.7 O=C1NCC(O1)COCCCF 34a_100000759539_100000181169 [0,2,0,0,0,0|1,0,0]=3 4309 B12R1.7 O=C1NCC(O1)COCCCF 34a_100011315639_100011934791 [0,2,0,0,0,0|1,0,0]=3 4310 B12R1.7 O=C1NCC(O1)COCCCO 34a_100011315639_100000230001 [0,2,0,0,0,0|1,0,0]=3 4311 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100000181169_100011934791 [0,2,0,0,0,0|1,0,0]=3 4312 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100011934791_100000181169 [0,2,0,0,0,0|1,0,0]=3 4313 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100000181169_100011215043 [0,2,0,0,0,0|1,0,0]=3 4314 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100011215043_100000181169 [0,2,0,0,0,0|1,0,0]=3 4315 B12R1.7 O=C1N[C@H](CO1)CNCCCF 2230a_100015189416_100015307671 [0,2,0,0,0,0|2,0,0]=4 4316 B12R1.7 O=C1N[C@H](CO1)CNCCCF 34a_100015189416_100015307671 [0,2,0,0,0,0|2,0,0]=4 4317 B12R1.7 O=C1N[C@H](CO1)COCCCBr 34a_100011217188_100015307671 [0,2,0,0,0,0|2,0,0]=4 4318 B12R1.7 O=C1N[C@H](CO1)COCCCCl 34a_100000230001_100015307671 [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.7 O=C1N[C@H](CO1)COCCCF 34a_100000759539_100015307671 [0,2,0,0,0,0|2,0,0]=4 4320 B12R1.7 O=C1N[C@H](CO1)CSCCCF 62a_100011934791_100015307671 [0,2,0,0,0,0|2,0,0]=4 4321 B12R1.7 O=C1N[C@H](CO1)CSCCCF 62a_100015307671_100011934791 [0,2,0,0,0,0|2,0,0]=4 4322 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100011215043_100015307671 [0,2,0,0,0,0|2,0,0]=4 4323 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100015307671_100011215043 [0,2,0,0,0,0|2,0,0]=4 4324 B12R1.7 O=C1OCC(O1)CNCCCF 34a_100015189416_100000073702 [0,2,0,0,0,0|1,0,0]=3 4325 B12R1.7 O=C1OCC(O1)COCCCBr 34a_100011217188_100000073702 [0,2,0,0,0,0|1,0,0]=3 4326 B12R1.7 O=C1OCC(O1)COCCCCl 34a_100000230001_100000073702 [0,2,0,0,0,0|1,0,0]=3 4327 B12R1.7 O=C1OCC(O1)COCCCF 34a_100000759539_100000073702 [0,2,0,0,0,0|1,0,0]=3 4328 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100000073702_100011934791 [0,2,0,0,0,0|1,0,0]=3 4329 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100011934791_100000073702 [0,2,0,0,0,0|1,0,0]=3 4330 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100000073702_100011215043 [0,2,0,0,0,0|1,0,0]=3 4331 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100011215043_100000073702 [0,2,0,0,0,0|1,0,0]=3 4332 B12R1.7 O=C1OCC(O1)NCCCCO 34a_100000750430_100000032252 [0,2,0,0,0,0|1,0,0]=3 4333 B12R1.7 O=C1OCC(O1)OCCCCBr 34a_100011216708_100000032252 [0,2,0,0,0,0|1,0,0]=3 4334 B12R1.7 O=C1OCC(O1)OCCCCCl 34a_100000210776_100000032252 [0,2,0,0,0,0|1,0,0]=3 4335 B12R1.7 O=C1OCC(O1)OCCCCF 34a_100011995726_100000032252 [0,2,0,0,0,0|1,0,0]=3 4336 B12R1.7 O=C1OCC(O1)OCCCCI 34a_200012148704_100000032252 [0,2,0,0,0,0|1,0,0]=3 4337 B12R1.7 O=C1OCC(O1)SCCCCF 62a_100000729493_100000032252 [0,2,0,0,0,0|1,0,0]=3 4338 B12R1.7 O=C1OCC(O1)SCCCCO 62a_100000210776_100000032252 [0,2,0,0,0,0|1,0,0]=3 4339 B12R1.7 O=CCCCSC1COC(=O)O1 62a_200011292268_100000032252 [0,2,0,0,0,0|1,0,1]=4 4340 B12R1.7 O=S1OCC(O1)CCSCCF 62a_100011217306_100009840081 [0,2,0,0,0,0|2,0,0]=4 4341 B12R1.7 O=S1OCC(O1)CCSCCO 62a_100000211926_100009840081 [0,2,0,0,0,0|2,0,0]=4 4342 B12R1.26 C#CC(C)NCC1CNC(=O)O1 2230a_100000707721_100000181169 [0,2,0,0,0,0|2,0,0]=4 4343 B12R1.26 C#CC(C)NCC1CNC(=O)O1 34a_100000707721_100000181169 [0,2,0,0,0,0|2,0,0]=4 4344 B12R1.26 C#CC(C)NCC1COC(=O)O1 34a_100000707721_100000073702 [0,2,0,0,0,0|2,0,0]=4 4345 B12R1.26 C#CC(C)NC[C@@H]1CCC(=O)N1 2230a_100000707721_100015189358 [0,2,0,0,0,0|2,0,0]=4 4346 B12R1.26 C#CC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_200000035995 [0,2,0,0,0,0|2,0,0]=4 4347 B12R1.26 C#CC(C)OCC1CCC(=O)N1 34a_100000737831_200000035995 [0,2,0,0,0,0|2,0,0]=4 4348 B12R1.26 C#CC(C)OCC1CNC(=O)O1 34a_100011315639_200000035995 [0,2,0,0,0,0|2,0,0]=4 4349 B12R1.26 C#CC(C)SCC1CNC(=O)O1 62a_200000035995_100000181169 [0,2,0,0,0,0|2,0,0]=4 4350 B12R1.26 C#CC(C)SCC1COC(=O)O1 62a_200000035995_100000073702 [0,2,0,0,0,0|2,0,0]=4 4351 B12R1.26 C#CC(C)SC[C@@H]1CCC(=O)N1 62a_200000035995_100015189358 [0,2,0,0,0,0|2,0,0]=4 4352 B12R1.26 C#C[C@@H](C)OCC1CNC(=O)O1 34a_100009815206_100000181169 [0,2,0,0,0,0|2,0,0]=4 4353 B12R1.26 C#C[C@@H](C)OCC1CNC(=O)O1 7a_100009815206_100000181169 [0,2,0,0,0,0|2,0,0]=4 4354 B12R1.26 C#C[C@@H](C)OCC1COC(=O)O1 34a_100009815206_100000073702 [0,2,0,0,0,0|2,0,0]=4 4355 B12R1.26 C#C[C@@H](C)OC[C@@H]1CCC(=O)N1 7a_100009815206_100015189358 [0,2,0,0,0,0|2,0,0]=4 4356 B12R1.26 C=CC(C)COC1COC(=O)O1 34a_100011215527_100000032252 [0,2,0,0,0,0|2,0,0]=4 4357 B12R1.26 C=CC(C)OCC1CNC(=O)O1 34a_100000695699_100000181169 [0,2,0,0,0,0|2,0,0]=4 4358 B12R1.26 C=CC(C)OCC1COC(=O)O1 34a_100000695699_100000073702 [0,2,0,0,0,0|2,0,0]=4 4359 B12R1.26 C=CC(C)SCC1CNC(=O)O1 62a_100011215867_100000181169 [0,2,0,0,0,0|2,0,0]=4 4360 B12R1.26 C=CC(C)SCC1COC(=O)O1 62a_100011215867_100000073702 [0,2,0,0,0,0|2,0,0]=4 4361 B12R1.26 C=CC(C)SC[C@@H]1CCC(=O)N1 62a_100011215867_100015189358 [0,2,0,0,0,0|2,0,0]=4 4362 B12R1.26 CC(C#N)NCC1CNC(=O)O1 2230a_100000737613_100000181169 [0,2,0,0,0,0|2,0,0]=4 4363 B12R1.26 CC(C#N)NC[C@@H]1CCC(=O)N1 2230a_100000737613_100015189358 [0,2,0,0,0,0|2,0,0]=4 4364 B12R1.26 CC(C#N)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000184139 [0,2,0,0,0,0|2,0,0]=4 4365 B12R1.26 CC(C#N)OCC1CNC(=O)O1 34a_100011218135_100000181169 [0,2,0,0,0,0|2,0,0]=4 4366 B12R1.26 CC(C#N)OCC1COC(=O)O1 34a_100011218135_100000073702 [0,2,0,0,0,0|2,0,0]=4 4367 B12R1.26 CC(C#N)SCC1CNC(=O)O1 62a_100000181169_100000703298 [0,2,0,0,0,0|2,0,0]=4 4368 B12R1.26 CC(C#N)SCC1CNC(=O)O1 62a_100000703298_100000181169 [0,2,0,0,0,0|2,0,0]=4 4369 B12R1.26 CC(C#N)SCC1COC(=O)O1 62a_100000073702_100000703298 [0,2,0,0,0,0|2,0,0]=4 4370 B12R1.26 CC(C#N)SCC1COC(=O)O1 62a_100000703298_100000073702 [0,2,0,0,0,0|2,0,0]=4 4371 B12R1.26 CC(C#N)SC[C@@H]1CCC(=O)N1 62a_100000703298_100015189358 [0,2,0,0,0,0|2,0,0]=4 4372 B12R1.26 CC(C#N)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000703298 [0,2,0,0,0,0|2,0,0]=4 4373 B12R1.26 CC(CF)OCC1CNC(=O)O1 34a_100016041109_100000181169 [0,2,0,0,0,0|2,0,0]=4 4374 B12R1.26 CC(CF)OCC1CNC(=O)O1 7a_100016041109_100000181169 [0,2,0,0,0,0|2,0,0]=4 4375 B12R1.26 CC(CF)OCC1COC(=O)O1 34a_100016041109_100000073702 [0,2,0,0,0,0|2,0,0]=4 4376 B12R1.26 CC(CF)OC[C@@H]1CCC(=O)N1 7a_100016041109_100015189358 [0,2,0,0,0,0|2,0,0]=4 4377 B12R1.26 CC(CN)COC1COC(=O)O1 34a_100000744482_100000032252 [0,2,0,0,0,0|2,0,0]=4 4378 B12R1.26 CC(CN)OCC1CNC(=O)O1 34a_100000210904_100000181169 [0,2,0,0,0,0|2,0,0]=4 4379 B12R1.26 CC(CN)OCC1COC(=O)O1 34a_100000210904_100000073702 [0,2,0,0,0,0|2,0,0]=4 4380 B12R1.26 CC(CO)CNC1COC(=O)O1 34a_100000744482_100000032252 [0,2,0,0,0,0|2,0,0]=4 4381 B12R1.26 CC(CO)NC[C@H]1CCC(=O)N1 2230a_100015423886_100012180447 [0,2,0,0,0,0|2,0,0]=4 4382 B12R1.26 CC(CO)NC[C@H]1CCC(=O)N1 34a_100015423886_100012180447 [0,2,0,0,0,0|2,0,0]=4 4383 B12R1.26 CC(CO)OCC1CCC(=O)N1 34a_100000737831_100012180447 [0,2,0,0,0,0|2,0,0]=4 4384 B12R1.26 CC(CO)OCC1CNC(=O)O1 34a_100011315639_100012180447 [0,2,0,0,0,0|2,0,0]=4 4385 B12R1.26 CC(CO)SCC1CNC(=O)O1 62a_100012180447_100000181169 [0,2,0,0,0,0|2,0,0]=4 4386 B12R1.26 CC(CO)SCC1COC(=O)O1 62a_100012180447_100000073702 [0,2,0,0,0,0|2,0,0]=4 4387 B12R1.26 CC(CO)SC[C@@H]1CCC(=O)N1 62a_100012180447_100015189358 [0,2,0,0,0,0|2,0,0]=4 4388 B12R1.26 CCC(=O)CCC1COS(=O)O1 1458a_100000210414_100009840081 [0,2,0,0,0,0|2,0,0]=4 4389 B12R1.26 CCC(=O)COC1COC(=O)O1 34a_100000725409_100000032252 [0,2,0,0,0,0|1,0,1]=4 4390 B12R1.26 CCC(=O)CSC1COC(=O)O1 62a_100000747405_100000032252 [0,2,0,0,0,0|1,0,1]=4 4391 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100000210414 [0,2,0,0,0,0|1,0,1]=4 4392 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100000210414 [0,2,0,0,0,0|1,0,1]=4 4393 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100000210414 [0,2,0,0,0,0|1,0,1]=4 4394 B12R1.26 CCC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100000210414 [0,2,0,0,0,0|1,0,1]=4 4395 B12R1.26 CCC(C)CNC1CNC(=O)C1 2230a_100000697751_100000748023 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.26 CCC(C)COC1CCC(=O)C1 34a_100012614533_100000748023 [0,2,0,0,0,0|1,0,0]=3 4397 B12R1.26 CCC(C)COC1CNC(=O)C1 34a_100000690082_100000748023 [0,2,0,0,0,0|2,0,0]=4 4398 B12R1.26 CCC(C)CSC1COC(=O)O1 62a_100000748023_100000032252 [0,2,0,0,0,0|1,0,0]=3 4399 B12R1.26 CCC(C)NCC1CNC(=O)C1 2230a_100016993742_100000758301 [0,2,0,0,0,0|2,0,0]=4 4400 B12R1.26 CCC(C)NCC1CNC(=O)C1 34a_100016993742_100011215416 [0,2,0,0,0,0|2,0,0]=4 4401 B12R1.26 CCC(C)NCC1CNC(=O)O1 2230a_100000209981_100000181169 [0,2,0,0,0,0|1,0,0]=3 4402 B12R1.26 CCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000209981_100015189358 [0,2,0,0,0,0|1,0,0]=3 4403 B12R1.26 CCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000758301 [0,2,0,0,0,0|1,0,0]=3 4404 B12R1.26 CCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100011215416 [0,2,0,0,0,0|1,0,0]=3 4405 B12R1.26 CCC(C)NC[C@H]1COC(=O)N1 2230a_100000209981_100015307671 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.26 CCC(C)OCC1CCC(=O)N1 34a_100000737831_100011215416 [0,2,0,0,0,0|1,0,0]=3 4407 B12R1.26 CCC(C)OCC1CNC(=O)C1 34a_100016041077_100011215416 [0,2,0,0,0,0|2,0,0]=4 4408 B12R1.26 CCC(C)OCC1CNC(=O)O1 34a_100011315639_100011215416 [0,2,0,0,0,0|1,0,0]=3 4409 B12R1.26 CCC(C)OCC1CNC(=O)O1 7a_100000210228_100000181169 [0,2,0,0,0,0|1,0,0]=3 4410 B12R1.26 CCC(C)OC[C@@H]1CCC(=O)N1 7a_100000210228_100015189358 [0,2,0,0,0,0|1,0,0]=3 4411 B12R1.26 CCC(C)OC[C@H]1COC(=O)N1 7a_100000210228_100015307671 [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.26 CCC(C)SCC1CNC(=O)O1 62a_100000181169_100000758301 [0,2,0,0,0,0|1,0,0]=3 4413 B12R1.26 CCC(C)SCC1CNC(=O)O1 62a_100000758301_100000181169 [0,2,0,0,0,0|1,0,0]=3 4414 B12R1.26 CCC(C)SCC1COC(=O)O1 62a_100000073702_100000758301 [0,2,0,0,0,0|1,0,0]=3 4415 B12R1.26 CCC(C)SCC1COC(=O)O1 62a_100000758301_100000073702 [0,2,0,0,0,0|1,0,0]=3 4416 B12R1.26 CCC(C)SC[C@@H]1CCC(=O)N1 62a_100000758301_100015189358 [0,2,0,0,0,0|1,0,0]=3 4417 B12R1.26 CCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000758301 [0,2,0,0,0,0|1,0,0]=3 4418 B12R1.26 CCC(C)SC[C@H]1COC(=O)N1 62a_100000758301_100015307671 [0,2,0,0,0,0|2,0,0]=4 4419 B12R1.26 CCC(C)SC[C@H]1COC(=O)N1 62a_100015307671_100000758301 [0,2,0,0,0,0|2,0,0]=4 4420 B12R1.26 CCC(O)CNC1CNC(=O)C1 2230a_100000697751_100011218378 [0,2,0,0,0,0|2,0,0]=4 4421 B12R1.26 CCC(O)COC1CCC(=O)C1 34a_100012614533_100011218378 [0,2,0,0,0,0|1,0,0]=3 4422 B12R1.26 CCC(O)COC1CNC(=O)C1 34a_100000690082_100011218378 [0,2,0,0,0,0|2,0,0]=4 4423 B12R1.26 CCC(O)CSC1COC(=O)O1 62a_100011218378_100000032252 [0,2,0,0,0,0|1,0,0]=3 4424 B12R1.26 CCN(C)CCC1COS(=O)O1 269982a_100000225621_100009840081 [0,2,0,0,0,0|2,0,0]=4 4425 B12R1.26 CC[C@H](C)CNC1CNC(=O)C1 2230a_100000697751_100009816398 [0,2,0,0,0,0|2,0,0]=4 4426 B12R1.26 CC[C@H](C)COC1CCC(=O)C1 34a_100012614533_100009816398 [0,2,0,0,0,0|1,0,0]=3 4427 B12R1.26 CC[C@H](C)COC1CNC(=O)C1 34a_100000690082_100009816398 [0,2,0,0,0,0|2,0,0]=4 4428 B12R1.26 CC[C@H](C)CSC1COC(=O)O1 62a_100009816398_100000032252 [0,2,0,0,0,0|1,0,0]=3 4429 B12R1.26 COC(C)COC1COC(=O)O1 34a_100000690652_100000032252 [0,2,0,0,0,0|2,0,0]=4 4430 B12R1.26 COC(C)SCC1CNC(=O)O1 62a_100000181169_100009879195 [0,2,0,0,0,0|2,0,0]=4 4431 B12R1.26 COC(C)SCC1CNC(=O)O1 62a_100009879195_100000181169 [0,2,0,0,0,0|2,0,0]=4 4432 B12R1.26 COC(C)SCC1COC(=O)O1 62a_100000073702_100009879195 [0,2,0,0,0,0|2,0,0]=4 4433 B12R1.26 COC(C)SCC1COC(=O)O1 62a_100009879195_100000073702 [0,2,0,0,0,0|2,0,0]=4 4434 B12R1.26 COC(C)SC[C@@H]1CCC(=O)N1 62a_100009879195_100015189358 [0,2,0,0,0,0|2,0,0]=4 4435 B12R1.26 COC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100009879195 [0,2,0,0,0,0|2,0,0]=4 4436 B12R1.26 C[C@@H](CO)COC1CCC(=O)C1 34a_100012614533_100000059175 [0,2,0,0,0,0|2,0,0]=4 4437 B12R1.26 C[C@@H](CO)CSC1COC(=O)O1 62a_100000059175_100000032252 [0,2,0,0,0,0|2,0,0]=4 4438 B12R1.26 C[C@H](CO)NCC1CNC(=O)O1 2230a_100000737577_100000181169 [0,2,0,0,0,0|2,0,0]=4 4439 B12R1.26 C[C@H](CO)NC[C@@H]1CCC(=O)N1 2230a_100000737577_100015189358 [0,2,0,0,0,0|2,0,0]=4 4440 B12R1.26 C[C@H](CO)SCC1CNC(=O)O1 62a_100000181169_100016084084 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.26 C[C@H](CO)SCC1CNC(=O)O1 62a_100016084084_100000181169 [0,2,0,0,0,0|2,0,0]=4 4442 B12R1.26 C[C@H](CO)SCC1COC(=O)O1 62a_100000073702_100016084084 [0,2,0,0,0,0|2,0,0]=4 4443 B12R1.26 C[C@H](CO)SCC1COC(=O)O1 62a_100016084084_100000073702 [0,2,0,0,0,0|2,0,0]=4 4444 B12R1.26 C[C@H](CO)SC[C@@H]1CCC(=O)N1 62a_100015189358_100016084084 [0,2,0,0,0,0|2,0,0]=4 4445 B12R1.26 C[C@H](CO)SC[C@@H]1CCC(=O)N1 62a_100016084084_100015189358 [0,2,0,0,0,0|2,0,0]=4 4446 B12R1.26 NC[C@@H](F)COC1COC(=O)O1 34a_100015665980_100000032252 [0,2,0,0,0,0|2,0,0]=4 4447 B12R1.26 O=C1CCC(C1)OCC(O)CO 34a_100012614533_100011219619 [0,2,0,0,0,0|2,0,0]=4 4448 B12R1.26 O=C1CCC(C1)OC[C@@H](O)CF 34a_100012614533_100015614560 [0,2,0,0,0,0|2,0,0]=4 4449 B12R1.26 O=C1CCC(C1)OC[C@@H](O)CO 34a_100012614533_100009815848 [0,2,0,0,0,0|2,0,0]=4 4450 B12R1.26 O=C1OCC(O1)NC[C@@H](F)CO 34a_100015665980_100000032252 [0,2,0,0,0,0|2,0,0]=4 4451 B12R1.26 O=C1OCC(O1)OCC(Cl)CCl 34a_100000033668_100000032252 [0,2,0,0,0,0|2,0,0]=4 4452 B12R1.26 O=C1OCC(O1)SCC(O)CO 62a_100011219619_100000032252 [0,2,0,0,0,0|2,0,0]=4 4453 B12R1.26 O=C1OCC(O1)SC[C@@H](O)CF 62a_100015614560_100000032252 [0,2,0,0,0,0|2,0,0]=4 4454 B12R1.26 O=C1OCC(O1)SC[C@@H](O)CO 62a_100009815848_100000032252 [0,2,0,0,0,0|2,0,0]=4 4455 B12R1.31 CC(CCBr)OC1COC(=O)O1 34a_100012276601_100000032252 [0,2,0,0,0,0|2,0,0]=4 4456 B12R1.31 CC(CCO)OC1CCC(=O)C1 34a_100012614533_100009893172 [0,2,0,0,0,0|2,0,0]=4 4457 B12R1.31 CC(CCO)SC1COC(=O)O1 62a_100009893172_100000032252 [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.31 CCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210303 [0,2,0,0,0,0|1,0,0]=3 4459 B12R1.31 CCCC(=O)CC1CNC(=O)O1 1458a_100000211992_100000181169 [0,2,0,0,0,0|1,0,0]=3 4460 B12R1.31 CCCC(=O)CC1COC(=O)O1 1458a_100000211992_100000073702 [0,2,0,0,0,0|1,0,0]=3 4461 B12R1.31 CCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000211992_100015189358 [0,2,0,0,0,0|1,0,0]=3 4462 B12R1.31 CCCC(=O)C[C@H]1COC(=O)N1 1458a_100000211992_100015307671 [0,2,0,0,0,0|2,0,0]=4 4463 B12R1.31 CCCC(C)NC1CNC(=O)C1 2230a_100000697751_100000766640 [0,2,0,0,0,0|2,0,0]=4 4464 B12R1.31 CCCC(C)OC1CCC(=O)C1 34a_100012614533_100000766640 [0,2,0,0,0,0|1,0,0]=3 4465 B12R1.31 CCCC(C)OC1CNC(=O)C1 34a_100000690082_100000766640 [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.31 CCCC(C)OC1COC(=O)O1 34a_100000764384_100000032252 [0,2,0,0,0,0|1,0,0]=3 4467 B12R1.31 CCCC(C)SC1COC(=O)O1 62a_100000766640_100000032252 [0,2,0,0,0,0|1,0,0]=3 4468 B12R1.31 CCCN(C)CC1CNC(=O)O1 2230a_100000747261_100000181169 [0,2,0,0,0,0|1,0,0]=3 4469 B12R1.31 CCCN(C)CC1CNC(=O)O1 269982a_100000747261_100000181169 [0,2,0,0,0,0|1,0,0]=3 4470 B12R1.31 CCCN(C)CC1COC(=O)O1 269982a_100000747261_100000073702 [0,2,0,0,0,0|1,0,0]=3 4471 B12R1.31 CCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000747261_100015189358 [0,2,0,0,0,0|1,0,0]=3 4472 B12R1.31 CCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000747261_100015189358 [0,2,0,0,0,0|1,0,0]=3 4473 B12R1.31 CCCN(C)C[C@H]1COC(=O)N1 2230a_100000747261_100015307671 [0,2,0,0,0,0|2,0,0]=4 4474 B12R1.31 CCCN(C)C[C@H]1COC(=O)N1 269982a_100000747261_100015307671 [0,2,0,0,0,0|2,0,0]=4 4475 B12R1.31 CCNC(=O)CC1CCC(=O)N1 240690a_100015525214_100000026770 [0,2,0,0,0,0|1,0,1]=4 4476 B12R1.31 CN(CCO)CC1CNC(=O)O1 2230a_100000210263_100000181169 [0,2,0,0,0,0|2,0,0]=4 4477 B12R1.31 CN(CCO)CC1CNC(=O)O1 269982a_100000210263_100000181169 [0,2,0,0,0,0|2,0,0]=4 4478 B12R1.31 CN(CCO)CC1COC(=O)O1 269982a_100000210263_100000073702 [0,2,0,0,0,0|2,0,0]=4 4479 B12R1.31 CN(CCO)C[C@@H]1CCC(=O)N1 2230a_100000210263_100015189358 [0,2,0,0,0,0|2,0,0]=4 4480 B12R1.31 CN(CCO)C[C@@H]1CCC(=O)N1 269982a_100000210263_100015189358 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.31 COCC(=O)CC1CNC(=O)O1 1458a_100000210968_100000181169 [0,2,0,0,0,0|1,0,1]=4 4482 B12R1.31 COCC(=O)CC1COC(=O)O1 1458a_100000210968_100000073702 [0,2,0,0,0,0|1,0,1]=4 4483 B12R1.31 COCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210968_100015189358 [0,2,0,0,0,0|1,0,1]=4 4484 B12R1.31 COCC(C)OC1CCC(=O)C1 34a_100012614533_100000765312 [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.31 COCC(C)SC1COC(=O)O1 62a_100000765312_100000032252 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.31 COC[C@@H](C)OC1COC(=O)O1 34a_100011934205_100000032252 [0,2,0,0,0,0|2,0,0]=4 4487 B12R1.31 CSCC(=O)CC1CNC(=O)O1 1458a_100000184570_100000181169 [0,2,0,0,0,0|1,0,1]=4 4488 B12R1.31 CSCC(=O)CC1COC(=O)O1 1458a_100000184570_100000073702 [0,2,0,0,0,0|1,0,1]=4 4489 B12R1.31 CSCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000184570_100015189358 [0,2,0,0,0,0|1,0,1]=4 4490 B12R1.31 C[C@H](CCO)NC1COC(=O)O1 34a_100000706166_100000032252 [0,2,0,0,0,0|2,0,0]=4 4491 B12R1.31 O=C(CCF)CC1CCC(=O)N1 1458a_100000026770_100011217306 [0,2,0,0,0,0|1,0,1]=4 4492 B12R1.31 O=C(CCO)CC1CCC(=O)N1 1458a_100000026770_100000211926 [0,2,0,0,0,0|1,0,1]=4 4493 B12R1.31 O=C(CCO)CC1CNC(=O)O1 1458a_100011216618_100000181169 [0,2,0,0,0,0|1,0,1]=4 4494 B12R1.31 O=C(CCO)CC1COC(=O)O1 1458a_100011216618_100000073702 [0,2,0,0,0,0|1,0,1]=4 4495 B12R1.31 O=C(CCO)C[C@@H]1CCC(=O)N1 1458a_100011216618_100015189358 [0,2,0,0,0,0|1,0,1]=4 4496 B12R1.105 C=C(C)CCOC1CCC(=O)C1 34a_100012614533_100000730704 [0,2,0,0,0,0|1,0,1]=4 4497 B12R1.105 C=C(C)CCOC1COC(=O)O1 34a_100000764851_100000032252 [0,2,0,0,0,0|1,0,1]=4 4498 B12R1.105 C=C(C)CCSC1COC(=O)O1 62a_100000730704_100000032252 [0,2,0,0,0,0|1,0,1]=4 4499 B12R1.105 C=C(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000748629 [0,2,0,0,0,0|1,0,1]=4 4500 B12R1.105 C=C(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000748629 [0,2,0,0,0,0|1,0,1]=4 4501 B12R1.105 C=C(C)COCC1CCC(=O)N1 34a_100000737831_100000748629 [0,2,0,0,0,0|1,0,1]=4 4502 B12R1.105 C=C(C)COCC1CNC(=O)O1 34a_100000210245_100000181169 [0,2,0,0,0,0|1,0,1]=4 4503 B12R1.105 C=C(C)COCC1CNC(=O)O1 34a_100011315639_100000748629 [0,2,0,0,0,0|1,0,1]=4 4504 B12R1.105 C=C(C)COCC1COC(=O)O1 34a_100000210245_100000073702 [0,2,0,0,0,0|1,0,1]=4 4505 B12R1.105 C=C(C)CSCC1CNC(=O)O1 62a_100000181169_100000211660 [0,2,0,0,0,0|1,0,1]=4 4506 B12R1.105 C=C(C)CSCC1CNC(=O)O1 62a_100000748629_100000181169 [0,2,0,0,0,0|1,0,1]=4 4507 B12R1.105 C=C(C)CSCC1COC(=O)O1 62a_100000073702_100000211660 [0,2,0,0,0,0|1,0,1]=4 4508 B12R1.105 C=C(C)CSCC1COC(=O)O1 62a_100000748629_100000073702 [0,2,0,0,0,0|1,0,1]=4 4509 B12R1.105 C=C(C)CSC[C@@H]1CCC(=O)N1 62a_100000748629_100015189358 [0,2,0,0,0,0|1,0,1]=4 4510 B12R1.105 C=C(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000211660 [0,2,0,0,0,0|1,0,1]=4 4511 B12R1.105 CC(=O)CCOC1COC(=O)O1 34a_100000759926_100000032252 [0,2,0,0,0,0|1,0,1]=4 4512 B12R1.105 CC(=O)CCSC1COC(=O)O1 62a_100000053229_100000032252 [0,2,0,0,0,0|1,0,1]=4 4513 B12R1.105 CC(=O)COCC1CNC(=O)O1 34a_100000211253_100000181169 [0,2,0,0,0,0|1,0,1]=4 4514 B12R1.105 CC(=O)COCC1COC(=O)O1 34a_100000211253_100000073702 [0,2,0,0,0,0|1,0,1]=4 4515 B12R1.105 CC(Br)CCOC1COC(=O)O1 34a_100009893172_100000032252 [0,2,0,0,0,0|1,0,0]=3 4516 B12R1.105 CC(Br)COCC1CNC(=O)O1 34a_100012180447_100000181169 [0,2,0,0,0,0|1,0,0]=3 4517 B12R1.105 CC(Br)COCC1COC(=O)O1 34a_100012180447_100000073702 [0,2,0,0,0,0|1,0,0]=3 4518 B12R1.105 CC(Br)COC[C@H]1COC(=O)N1 34a_100012180447_100015307671 [0,2,0,0,0,0|2,0,0]=4 4519 B12R1.105 CC(C)CCNC1CNC(=O)C1 2230a_100000697751_100000210312 [0,2,0,0,0,0|2,0,0]=4 4520 B12R1.105 CC(C)CCNC1CNC(=O)C1 269862a_100000697751_100000185833 [0,2,0,0,0,0|2,0,0]=4 4521 B12R1.105 CC(C)CCOC1CCC(=O)C1 34a_100012614533_100000210312 [0,2,0,0,0,0|1,0,0]=3 4522 B12R1.105 CC(C)CCOC1CNC(=O)C1 34a_100000690082_100000210312 [0,2,0,0,0,0|2,0,0]=4 4523 B12R1.105 CC(C)CCOC1COC(=O)O1 34a_100000210254_100000032252 [0,2,0,0,0,0|1,0,0]=3 4524 B12R1.105 CC(C)CCSC1COC(=O)O1 62a_100000210312_100000032252 [0,2,0,0,0,0|1,0,0]=3 4525 B12R1.105 CC(C)CNCC1CNC(=O)C1 2230a_100016993742_100000210760 [0,2,0,0,0,0|2,0,0]=4 4526 B12R1.105 CC(C)CNCC1CNC(=O)C1 34a_100016993742_100000210624 [0,2,0,0,0,0|2,0,0]=4 4527 B12R1.105 CC(C)CNCC1CNC(=O)O1 2230a_100000210953_100000181169 [0,2,0,0,0,0|1,0,0]=3 4528 B12R1.105 CC(C)CNCC1CNC(=O)O1 34a_100000210953_100000181169 [0,2,0,0,0,0|1,0,0]=3 4529 B12R1.105 CC(C)CNCC1COC(=O)O1 34a_100000210953_100000073702 [0,2,0,0,0,0|1,0,0]=3 4530 B12R1.105 CC(C)CNC[C@@H]1CCC(=O)N1 2230a_100000210953_100015189358 [0,2,0,0,0,0|1,0,0]=3 4531 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210760 [0,2,0,0,0,0|1,0,0]=3 4532 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000210432 [0,2,0,0,0,0|1,0,0]=3 4533 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000210624 [0,2,0,0,0,0|1,0,0]=3 4534 B12R1.105 CC(C)CNC[C@H]1COC(=O)N1 2230a_100000210953_100015307671 [0,2,0,0,0,0|2,0,0]=4 4535 B12R1.105 CC(C)CNC[C@H]1COC(=O)N1 34a_100000210953_100015307671 [0,2,0,0,0,0|2,0,0]=4 4536 B12R1.105 CC(C)COCC1CCC(=O)N1 34a_100000737831_100000210624 [0,2,0,0,0,0|1,0,0]=3 4537 B12R1.105 CC(C)COCC1CNC(=O)C1 34a_100016041077_100000210624 [0,2,0,0,0,0|2,0,0]=4 4538 B12R1.105 CC(C)COCC1CNC(=O)O1 34a_100000210257_100000181169 [0,2,0,0,0,0|1,0,0]=3 4539 B12R1.105 CC(C)COCC1CNC(=O)O1 34a_100011315639_100000210624 [0,2,0,0,0,0|1,0,0]=3 4540 B12R1.105 CC(C)COCC1COC(=O)O1 34a_100000210257_100000073702 [0,2,0,0,0,0|1,0,0]=3 4541 B12R1.105 CC(C)COC[C@H]1COC(=O)N1 34a_100000210257_100015307671 [0,2,0,0,0,0|2,0,0]=4 4542 B12R1.105 CC(C)CSCC1CNC(=O)O1 62a_100000181169_100000210760 [0,2,0,0,0,0|1,0,0]=3 4543 B12R1.105 CC(C)CSCC1CNC(=O)O1 62a_100000210624_100000181169 [0,2,0,0,0,0|1,0,0]=3 4544 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000073702_100000210760 [0,2,0,0,0,0|1,0,0]=3 4545 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000210624_100000073702 [0,2,0,0,0,0|1,0,0]=3 4546 B12R1.105 CC(C)CSC[C@@H]1CCC(=O)N1 62a_100000210624_100015189358 [0,2,0,0,0,0|1,0,0]=3 4547 B12R1.105 CC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210760 [0,2,0,0,0,0|1,0,0]=3 4548 B12R1.105 CC(C)CSC[C@H]1COC(=O)N1 62a_100000210624_100015307671 [0,2,0,0,0,0|2,0,0]=4 4549 B12R1.105 CC(C)CSC[C@H]1COC(=O)N1 62a_100015307671_100000210760 [0,2,0,0,0,0|2,0,0]=4 4550 B12R1.105 CC(C)OCOC1CCC(=O)C1 34a_100012614533_100000709892 [0,2,0,0,0,0|2,0,0]=4 4551 B12R1.105 CC(C)OCSC1COC(=O)O1 62a_100000709892_100000032252 [0,2,0,0,0,0|2,0,0]=4 4552 B12R1.105 CC(C)SCCC1COS(=O)O1 62a_100000210206_100009840081 [0,2,0,0,0,0|2,0,0]=4 4553 B12R1.105 CC(F)COCC1CNC(=O)O1 34a_100015925927_100000181169 [0,2,0,0,0,0|1,0,0]=3 4554 B12R1.105 CC(F)COCC1COC(=O)O1 34a_100015925927_100000073702 [0,2,0,0,0,0|1,0,0]=3 4555 B12R1.105 CC(F)COC[C@H]1COC(=O)N1 34a_100015925927_100015307671 [0,2,0,0,0,0|2,0,0]=4 4556 B12R1.105 CC(O)CCNC1CNC(=O)C1 2230a_100000697751_100012276601 [0,2,0,0,0,0|2,0,0]=4 4557 B12R1.105 CC(O)CCOC1CCC(=O)C1 34a_100012614533_100012276601 [0,2,0,0,0,0|1,0,0]=3 4558 B12R1.105 CC(O)CCOC1CNC(=O)C1 34a_100000690082_100012276601 [0,2,0,0,0,0|2,0,0]=4 4559 B12R1.105 CC(O)CCSC1COC(=O)O1 62a_100012276601_100000032252 [0,2,0,0,0,0|1,0,0]=3 4560 B12R1.105 CC(O)CNCC1CNC(=O)C1 2230a_100016993742_100011218427 [0,2,0,0,0,0|2,0,0]=4 4561 B12R1.105 CC(O)CNCC1CNC(=O)C1 34a_100016993742_100011218427 [0,2,0,0,0,0|2,0,0]=4 4562 B12R1.105 CC(O)CNCC1CNC(=O)O1 2230a_100000210904_100000181169 [0,2,0,0,0,0|1,0,0]=3 4563 B12R1.105 CC(O)CNCC1CNC(=O)O1 34a_100000210904_100000181169 [0,2,0,0,0,0|1,0,0]=3 4564 B12R1.105 CC(O)CNCC1COC(=O)O1 34a_100000210904_100000073702 [0,2,0,0,0,0|1,0,0]=3 4565 B12R1.105 CC(O)CNC[C@@H]1CCC(=O)N1 2230a_100000210904_100015189358 [0,2,0,0,0,0|1,0,0]=3 4566 B12R1.105 CC(O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218427 [0,2,0,0,0,0|1,0,0]=3 4567 B12R1.105 CC(O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011218427 [0,2,0,0,0,0|1,0,0]=3 4568 B12R1.105 CC(O)CNC[C@H]1COC(=O)N1 2230a_100000210904_100015307671 [0,2,0,0,0,0|2,0,0]=4 4569 B12R1.105 CC(O)CNC[C@H]1COC(=O)N1 34a_100000210904_100015307671 [0,2,0,0,0,0|2,0,0]=4 4570 B12R1.105 CC(O)COCC1CCC(=O)N1 34a_100000737831_100011218427 [0,2,0,0,0,0|1,0,0]=3 4571 B12R1.105 CC(O)COCC1CNC(=O)C1 34a_100016041077_100011218427 [0,2,0,0,0,0|2,0,0]=4 4572 B12R1.105 CC(O)COCC1CNC(=O)O1 34a_100011315639_100011218427 [0,2,0,0,0,0|1,0,0]=3 4573 B12R1.105 CC(O)CSCC1CNC(=O)O1 62a_100000181169_100011218427 [0,2,0,0,0,0|1,0,0]=3 4574 B12R1.105 CC(O)CSCC1CNC(=O)O1 62a_100011218427_100000181169 [0,2,0,0,0,0|1,0,0]=3 4575 B12R1.105 CC(O)CSCC1COC(=O)O1 62a_100000073702_100011218427 [0,2,0,0,0,0|1,0,0]=3 4576 B12R1.105 CC(O)CSCC1COC(=O)O1 62a_100011218427_100000073702 [0,2,0,0,0,0|1,0,0]=3 4577 B12R1.105 CC(O)CSC[C@@H]1CCC(=O)N1 62a_100011218427_100015189358 [0,2,0,0,0,0|1,0,0]=3 4578 B12R1.105 CC(O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218427 [0,2,0,0,0,0|1,0,0]=3 4579 B12R1.105 CC(O)CSC[C@H]1COC(=O)N1 62a_100011218427_100015307671 [0,2,0,0,0,0|2,0,0]=4 4580 B12R1.105 CC(O)CSC[C@H]1COC(=O)N1 62a_100015307671_100011218427 [0,2,0,0,0,0|2,0,0]=4 4581 B12R1.105 C[C@@H](Cl)COCC1CNC(=O)O1 34a_100016084084_100000181169 [0,2,0,0,0,0|1,0,0]=3 4582 B12R1.105 C[C@@H](Cl)COCC1COC(=O)O1 34a_100016084084_100000073702 [0,2,0,0,0,0|1,0,0]=3 4583 B12R1.105 C[C@@H](Cl)COC[C@H]1COC(=O)N1 34a_100016084084_100015307671 [0,2,0,0,0,0|2,0,0]=4 4584 B12R1.105 C[C@@H](N)CCOC1COC(=O)O1 34a_100000706166_100000032252 [0,2,0,0,0,0|1,0,0]=3 4585 B12R1.105 C[C@@H](N)COCC1CNC(=O)O1 34a_100000737577_100000181169 [0,2,0,0,0,0|1,0,0]=3 4586 B12R1.105 C[C@@H](N)COCC1COC(=O)O1 34a_100000737577_100000073702 [0,2,0,0,0,0|1,0,0]=3 4587 B12R1.105 C[C@@H](N)COC[C@H]1COC(=O)N1 34a_100000737577_100015307671 [0,2,0,0,0,0|2,0,0]=4 4588 B12R1.105 C[C@@H](O)CNCC1CNC(=O)C1 2230a_100016993742_100009817552 [0,2,0,0,0,0|2,0,0]=4 4589 B12R1.105 C[C@@H](O)CNCC1CNC(=O)C1 34a_100016993742_100009817552 [0,2,0,0,0,0|2,0,0]=4 4590 B12R1.105 C[C@@H](O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100009817552 [0,2,0,0,0,0|1,0,0]=3 4591 B12R1.105 C[C@@H](O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100009817552 [0,2,0,0,0,0|1,0,0]=3 4592 B12R1.105 C[C@@H](O)COCC1CCC(=O)N1 34a_100000737831_100009817552 [0,2,0,0,0,0|1,0,0]=3 4593 B12R1.105 C[C@@H](O)COCC1CNC(=O)C1 34a_100016041077_100009817552 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.105 C[C@@H](O)COCC1CNC(=O)O1 34a_100011315639_100009817552 [0,2,0,0,0,0|1,0,0]=3 4595 B12R1.105 C[C@@H](O)CSCC1CNC(=O)O1 62a_100000181169_100009817552 [0,2,0,0,0,0|1,0,0]=3 4596 B12R1.105 C[C@@H](O)CSCC1CNC(=O)O1 62a_100009817552_100000181169 [0,2,0,0,0,0|1,0,0]=3 4597 B12R1.105 C[C@@H](O)CSCC1COC(=O)O1 62a_100000073702_100009817552 [0,2,0,0,0,0|1,0,0]=3 4598 B12R1.105 C[C@@H](O)CSCC1COC(=O)O1 62a_100009817552_100000073702 [0,2,0,0,0,0|1,0,0]=3 4599 B12R1.105 C[C@@H](O)CSC[C@@H]1CCC(=O)N1 62a_100009817552_100015189358 [0,2,0,0,0,0|1,0,0]=3 4600 B12R1.105 C[C@@H](O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100009817552 [0,2,0,0,0,0|1,0,0]=3 4601 B12R1.105 C[C@@H](O)CSC[C@H]1COC(=O)N1 62a_100009817552_100015307671 [0,2,0,0,0,0|2,0,0]=4 4602 B12R1.105 C[C@@H](O)CSC[C@H]1COC(=O)N1 62a_100015307671_100009817552 [0,2,0,0,0,0|2,0,0]=4 4603 B12R1.105 O=C1CCC(N1)COCC(F)F 34a_100000737831_100011934356 [0,2,0,0,0,0|2,0,0]=4 4604 B12R1.105 O=C1CC[C@@H](N1)CNCC(F)F 2230a_100015423886_100011934356 [0,2,0,0,0,0|2,0,0]=4 4605 B12R1.105 O=C1CC[C@@H](N1)CNCC(F)F 34a_100015423886_100011934356 [0,2,0,0,0,0|2,0,0]=4 4606 B12R1.105 O=C1CC[C@H](N1)CSCC(F)F 62a_100011934356_100015189358 [0,2,0,0,0,0|2,0,0]=4 4607 B12R1.105 O=C1CC[C@H](N1)CSCC(F)F 62a_100015189358_100011934356 [0,2,0,0,0,0|2,0,0]=4 4608 B12R1.105 O=C1NCC(O1)CNCC(F)F 34a_100000765723_100000181169 [0,2,0,0,0,0|2,0,0]=4 4609 B12R1.105 O=C1NCC(O1)COCC(F)F 34a_100000743014_100000181169 [0,2,0,0,0,0|2,0,0]=4 4610 B12R1.105 O=C1NCC(O1)COCC(F)F 34a_100011315639_100011934356 [0,2,0,0,0,0|2,0,0]=4 4611 B12R1.105 O=C1NCC(O1)CSCC(F)F 62a_100000181169_100011934356 [0,2,0,0,0,0|2,0,0]=4 4612 B12R1.105 O=C1NCC(O1)CSCC(F)F 62a_100011934356_100000181169 [0,2,0,0,0,0|2,0,0]=4 4613 B12R1.105 O=C1OCC(O1)CNCC(F)F 34a_100000765723_100000073702 [0,2,0,0,0,0|2,0,0]=4 4614 B12R1.105 O=C1OCC(O1)COCC(F)F 34a_100000743014_100000073702 [0,2,0,0,0,0|2,0,0]=4 4615 B12R1.105 O=C1OCC(O1)CSCC(F)F 62a_100000073702_100011934356 [0,2,0,0,0,0|2,0,0]=4 4616 B12R1.105 O=C1OCC(O1)CSCC(F)F 62a_100011934356_100000073702 [0,2,0,0,0,0|2,0,0]=4 4617 B12R1.105 O=C1OCC(O1)OCCC(F)F 34a_100103093639_100000032252 [0,2,0,0,0,0|2,0,0]=4 4618 B12R1.457 CCCCNC1C=C(C(=O)O1)C 2230a_100000102301_200009893386 [0,2,0,0,0,0|0,0,2]=4 4619 B12R1.457 CCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210211 [0,2,0,0,0,0|2,0,0]=4 4620 B12R1.457 CCCCNC1CC(=O)N(C1)C 34a_100000748898_100000210210 [0,2,0,0,0,0|2,0,0]=4 4621 B12R1.457 CCCCSC1C=C(C(=O)O1)C 62a_100000210211_200009893386 [0,2,0,0,0,0|0,0,2]=4 4622 B12R1.457 CCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210210 [0,2,0,0,0,0|0,0,2]=4 4623 B12R1.457 CCCOCC1CC(=O)N(C1)C 34a_100015185614_100000210303 [0,2,0,0,0,0|2,0,0]=4 4624 B12R1.528 CCCCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210211 [0,2,0,0,0,0|2,0,0]=4 4625 B12R1.528 CCCCNC1CCS(=O)(=O)C1 34a_100000683523_100000210210 [0,2,0,0,0,0|2,0,0]=4 4626 B12R1.528 CCCCOC1CCS(=O)(=O)C1 34a_100000186101_100000210210 [0,2,0,0,0,0|2,0,0]=4 4627 B12R1.528 CCCCOC1CCS(=O)(=O)C1 7a_100000186101_100000210211 [0,2,0,0,0,0|2,0,0]=4 4628 B12R1.528 CCCNCC1CCS(=O)(=O)C1 2230a_100000737051_100000210303 [0,2,0,0,0,0|2,0,0]=4 4629 B12R1.528 CCCNCC1CCS(=O)(=O)C1 34a_100000737051_100000210303 [0,2,0,0,0,0|2,0,0]=4 4630 B12R1.104 CC(C)C(=O)CC1CCC(=O)N1 1458a_100000026770_100000210206 [0,2,0,0,0,0|1,0,1]=4 4631 B12R1.104 CC(C)C(=O)CC1CNC(=O)O1 1458a_100000210198_100000181169 [0,2,0,0,0,0|1,0,1]=4 4632 B12R1.104 CC(C)C(=O)CC1COC(=O)O1 1458a_100000210198_100000073702 [0,2,0,0,0,0|1,0,1]=4 4633 B12R1.104 CC(C)C(=O)C[C@@H]1CCC(=O)N1 1458a_100000210198_100015189358 [0,2,0,0,0,0|1,0,1]=4 4634 B12R1.104 CC(C)N(C)CC1CCC(=O)N1 2230a_200015184686_200000210301 [0,2,0,0,0,0|2,0,0]=4 4635 B12R1.104 CC(C)N(C)CC1CCC(=O)N1 269982a_200015184686_200000210301 [0,2,0,0,0,0|2,0,0]=4 4636 B12R1.104 CC(C)N(C)CC1CCC(=O)N1 34a_200015184686_200000210301 [0,2,0,0,0,0|2,0,0]=4 4637 B12R1.104 CC(C)N(C)CC1CNC(=O)O1 269982a_200000211004_100000181169 [0,2,0,0,0,0|2,0,0]=4 4638 B12R1.104 CC(C)N(C)CC1COC(=O)O1 269982a_200000211004_100000073702 [0,2,0,0,0,0|2,0,0]=4 4639 B12R1.104 CC(C)N(C)C[C@@H]1CCC(=O)N1 269982a_200000211004_100015189358 [0,2,0,0,0,0|2,0,0]=4 4640 B12R1.104 CC(C)N([13CH3])CC1CCC(=O)N1 2230a_200015184686_200025704644 [0,2,0,0,0,0|2,0,0]=4 4641 B12R1.104 CC(C)N([13CH3])CC1CCC(=O)N1 269982a_200015184686_200025704644 [0,2,0,0,0,0|2,0,0]=4 4642 B12R1.104 CC(C)N([13CH3])CC1CCC(=O)N1 34a_200015184686_200025704644 [0,2,0,0,0,0|2,0,0]=4 4643 B12R1.104 CC(F)C(=O)CC1CNC(=O)O1 1458a_100000062450_100000181169 [0,2,0,0,0,0|1,0,1]=4 4644 B12R1.104 CC(F)C(=O)CC1COC(=O)O1 1458a_100000062450_100000073702 [0,2,0,0,0,0|1,0,1]=4 4645 B12R1.104 CC(F)C(=O)C[C@@H]1CCC(=O)N1 1458a_100000062450_100015189358 [0,2,0,0,0,0|1,0,1]=4 4646 B12R1.104 C[C@@H](O)C(=O)CC1CNC(=O)O1 1458a_100000717761_100000181169 [0,2,0,0,0,0|1,0,1]=4 4647 B12R1.104 C[C@@H](O)C(=O)CC1COC(=O)O1 1458a_100000717761_100000073702 [0,2,0,0,0,0|1,0,1]=4 4648 B12R1.104 C[C@@H](O)C(=O)C[C@@H]1CCC(=O)N1 1458a_100000717761_100015189358 [0,2,0,0,0,0|1,0,1]=4 4649 B12R1.104 C[C@H](O)C(=O)CC1CNC(=O)O1 1458a_217856618621_100000181169 [0,2,0,0,0,0|1,0,1]=4 4650 B12R1.104 C[C@H](O)C(=O)CC1COC(=O)O1 1458a_217856618621_100000073702 [0,2,0,0,0,0|1,0,1]=4 4651 B12R1.104 C[C@H](O)C(=O)C[C@@H]1CCC(=O)N1 1458a_217856618621_100015189358 [0,2,0,0,0,0|1,0,1]=4 4652 B12R1.117 C#CC(CC)OC1COC(=O)O1 34a_100000758843_100000032252 [0,2,0,0,0,0|2,0,0]=4 4653 B12R1.117 C=CC(CC)OC1COC(=O)O1 34a_100000766422_100000032252 [0,2,0,0,0,0|2,0,0]=4 4654 B12R1.117 CCC(CC)SC1COC(=O)O1 62a_100000210505_100000032252 [0,2,0,0,0,0|2,0,0]=4 4655 B12R1.117 CCN(CC)CC1CNC(=O)O1 2230a_100000724800_100000181169 [0,2,0,0,0,0|2,0,0]=4 4656 B12R1.117 CCN(CC)CC1CNC(=O)O1 269956a_100000042499_100000181169 [0,2,0,0,0,0|2,0,0]=4 4657 B12R1.117 CCN(CC)CC1CNC(=O)O1 269982a_100000724800_100000181169 [0,2,0,0,0,0|2,0,0]=4 4658 B12R1.117 CCN(CC)CC1COC(=O)O1 269982a_100000724800_100000073702 [0,2,0,0,0,0|2,0,0]=4 4659 B12R1.117 CCN(CC)C[C@@H]1CCC(=O)N1 2230a_100000724800_100015189358 [0,2,0,0,0,0|2,0,0]=4 4660 B12R1.117 CCN(CC)C[C@@H]1CCC(=O)N1 269956a_100000042499_100015189358 [0,2,0,0,0,0|2,0,0]=4 4661 B12R1.117 CCN(CC)C[C@@H]1CCC(=O)N1 269982a_100000724800_100015189358 [0,2,0,0,0,0|2,0,0]=4 4662 B12R1.193 CCC(C)(C)SC1COC(=O)O1 62a_100000032637_100000032252 [0,2,0,0,0,0|2,0,0]=4 4663 B12R1.836 CC(C)(C)COC1CCC(=O)C1 34a_100012614533_100011219605 [0,2,0,0,0,0|2,0,0]=4 4664 B12R1.836 CC(C)(C)CSC1COC(=O)O1 62a_100011219605_100000032252 [0,2,0,0,0,0|2,0,0]=4 4665 B12R1.836 CC(C)(C)NCC1CNC(=O)O1 2230a_100000715429_100000181169 [0,2,0,0,0,0|2,0,0]=4 4666 B12R1.836 CC(C)(C)NC[C@@H]1CCC(=O)N1 2230a_100000715429_100015189358 [0,2,0,0,0,0|2,0,0]=4 4667 B12R1.836 CC(C)(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100000210625 [0,2,0,0,0,0|2,0,0]=4 4668 B12R1.836 CC(C)(C)OCC1CCC(=O)N1 34a_100000737831_100000210625 [0,2,0,0,0,0|2,0,0]=4 4669 B12R1.836 CC(C)(C)OCC1CNC(=O)O1 34a_100011315639_100000210625 [0,2,0,0,0,0|2,0,0]=4 4670 B12R1.836 CC(C)(C)OCC1CNC(=O)O1 34a_100015890283_100000181169 [0,2,0,0,0,0|2,0,0]=4 4671 B12R1.836 CC(C)(C)OCC1CNC(=O)O1 7a_100015890283_100000181169 [0,2,0,0,0,0|2,0,0]=4 4672 B12R1.836 CC(C)(C)OCC1COC(=O)O1 34a_100015890283_100000073702 [0,2,0,0,0,0|2,0,0]=4 4673 B12R1.836 CC(C)(C)OC[C@@H]1CCC(=O)N1 7a_100015890283_100015189358 [0,2,0,0,0,0|2,0,0]=4 4674 B12R1.836 CC(C)(C)SCC1CNC(=O)O1 62a_100000181169_100000211941 [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.836 CC(C)(C)SCC1CNC(=O)O1 62a_100000211941_100000181169 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.836 CC(C)(C)SCC1COC(=O)O1 62a_100000073702_100000211941 [0,2,0,0,0,0|2,0,0]=4 4677 B12R1.836 CC(C)(C)SCC1COC(=O)O1 62a_100000211941_100000073702 [0,2,0,0,0,0|2,0,0]=4 4678 B12R1.836 CC(C)(C)SC[C@@H]1CCC(=O)N1 62a_100000211941_100015189358 [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.836 CC(C)(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000211941 [0,2,0,0,0,0|2,0,0]=4 4680 B12R1.836 CC(C)(F)COC1CCC(=O)C1 34a_100012614533_100011997219 [0,2,0,0,0,0|2,0,0]=4 4681 B12R1.836 CC(C)(F)COC1COC(=O)O1 34a_100000716592_100000032252 [0,2,0,0,0,0|2,0,0]=4 4682 B12R1.836 CC(C)(F)CSC1COC(=O)O1 62a_100011997219_100000032252 [0,2,0,0,0,0|2,0,0]=4 4683 B12R1.836 CC(C)(O)COC1CCC(=O)C1 34a_100012614533_100000764493 [0,2,0,0,0,0|2,0,0]=4 4684 B12R1.836 CC(C)(O)CSC1COC(=O)O1 62a_100000764493_100000032252 [0,2,0,0,0,0|2,0,0]=4 4685 B12R1.836 CC(F)(F)COC1COC(=O)O1 34a_100000068830_100000032252 [0,2,0,0,0,0|2,0,0]=4 4686 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,0,1,1,0,0|2,0,0]=4 4687 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,0,1,1,0,0|2,0,0]=4 4688 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,0,1,1,0,0|2,0,0]=4 4689 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,1,1,0,0|1,0,0]=3 4690 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,1,1,0,0|1,0,0]=3 4691 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,1,1,0,0|2,0,0]=4 4692 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,1,1,0,0|2,0,0]=4 4693 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,1,1,0,0|2,0,0]=4 4694 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,1,1,0,0|2,0,0]=4 4695 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,0,1,1,0,0|2,0,0]=4 4696 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,0,1,1,0,0|2,0,0]=4 4697 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,0,1,1,0,0|2,0,0]=4 4698 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,1,1,0,0|2,0,0]=4 4699 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,1,1,0,0|2,0,0]=4 4700 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,1,1,0,0|2,0,0]=4 4701 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,1,1,0,0|2,0,0]=4 4702 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,1,1,0,0|1,0,0]=3 4703 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,1,1,0,0|2,0,0]=4 4704 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,1,1,0,0|2,0,0]=4 4705 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,0,1,1,0,0|2,0,0]=4 4706 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,0,1,1,0,0|2,0,0]=4 4707 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,0,1,1,0,0|2,0,0]=4 4708 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,0,1,1,0,0|2,0,0]=4 4709 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,0,1,1,0,0|2,0,0]=4 4710 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,0,1,1,0,0|2,0,0]=4 4711 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,0,1,1,0,0|2,0,0]=4 4712 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,0,1,1,0,0|2,0,0]=4 4713 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,0,1,1,0,0|2,0,0]=4 4714 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,0,1,1,0,0|1,0,0]=3 4715 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,0,1,1,0,0|2,0,0]=4 4716 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,0,1,1,0,0|2,0,0]=4 4717 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,0,1,1,0,0|2,0,0]=4 4718 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,1,1,0,0|1,0,0]=3 4719 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,0,1,1,0,0|2,0,0]=4 4720 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,1,1,0,0|2,0,0]=4 4721 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,1,1,0,0|2,0,0]=4 4722 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,1,1,0,0|2,0,0]=4 4723 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,1,1,0,0|2,0,0]=4 4724 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,0,1,1,0,0|2,0,0]=4 4725 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,1,1,0,0|1,0,0]=3 4726 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,0,1,1,0,0|2,0,0]=4 4727 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,0,1,1,0,0|2,0,0]=4 4728 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,0,1,1,0,0|2,0,0]=4 4729 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,0,1,1,0,0|1,0,0]=3 4730 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,0,1,1,0,0|2,0,0]=4 4731 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,0,1,1,0,0|2,0,0]=4 4732 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,0,1,1,0,0|2,0,0]=4 4733 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,0,1,1,0,0|2,0,0]=4 4734 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,0,1,1,0,0|2,0,0]=4 4735 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,0,1,1,0,0|2,0,0]=4 4736 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,0,1,1,0,0|2,0,0]=4 4737 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,0,1,1,0,0|2,0,0]=4 4738 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,0,1,1,0,0|1,0,0]=3 4739 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,0,1,1,0,0|2,0,0]=4 4740 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,0,1,1,0,0|2,0,0]=4 4741 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,0,1,1,0,0|2,0,0]=4 4742 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [0,0,1,1,0,0|2,0,0]=4 4743 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [0,0,1,1,0,0|2,0,0]=4 4744 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [0,0,1,1,0,0|2,0,0]=4 4745 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [0,0,1,1,0,0|1,0,1]=4 4746 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [0,0,1,1,0,0|1,0,1]=4 4747 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [0,0,1,1,0,0|2,0,0]=4 4748 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [0,0,1,1,0,0|2,0,0]=4 4749 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [0,0,1,1,0,0|1,0,1]=4 4750 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,0,1,1,0,0|2,0,0]=4 4751 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,0,1,1,0,0|2,0,0]=4 4752 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,0,1,1,0,0|1,0,1]=4 4753 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,0,1,1,0,0|1,0,0]=3 4754 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [0,0,1,1,0,0|2,0,0]=4 4755 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [0,0,1,1,0,0|2,0,0]=4 4756 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [0,0,1,1,0,0|2,0,0]=4 4757 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [0,0,1,1,0,0|2,0,0]=4 4758 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,0,1,1,0,0|2,0,0]=4 4759 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,0,1,1,0,0|2,0,0]=4 4760 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,0,1,1,0,0|2,0,0]=4 4761 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,0,1,1,0,0|2,0,0]=4 4762 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,0,1,1,0,0|2,0,0]=4 4763 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,0,1,1,0,0|2,0,0]=4 4764 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,0,1,1,0,0|2,0,0]=4 4765 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,0,1,1,0,0|2,0,0]=4 4766 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [0,0,1,1,0,0|2,0,0]=4 4767 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [0,0,1,1,0,0|2,0,0]=4 4768 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [0,0,1,1,0,0|2,0,0]=4 4769 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [0,0,1,1,0,0|2,0,0]=4 4770 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [0,0,1,1,0,0|2,0,0]=4 4771 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [0,0,1,1,0,0|2,0,0]=4 4772 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [0,0,1,1,0,0|2,0,0]=4 4773 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [0,0,1,1,0,0|2,0,0]=4 4774 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [0,0,1,1,0,0|2,0,0]=4 4775 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [0,0,1,1,0,0|2,0,0]=4 4776 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [0,0,1,1,0,0|2,0,0]=4 4777 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [0,0,1,1,0,0|2,0,0]=4 4778 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [0,0,1,1,0,0|2,0,0]=4 4779 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,0,1,1,0,0|2,0,0]=4 4780 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,0,1,1,0,0|2,0,0]=4 4781 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [0,0,1,1,0,0|2,0,0]=4 4782 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [0,0,1,1,0,0|2,0,0]=4 4783 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,0,1,1,0,0|1,0,0]=3 4784 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [0,0,1,1,0,0|2,0,0]=4 4785 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [0,0,1,1,0,0|2,0,0]=4 4786 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,0,1,1,0,0|1,0,1]=4 4787 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,0,1,1,0,0|1,0,1]=4 4788 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,0,1,1,0,0|1,0,1]=4 4789 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,0,1,1,0,0|1,0,1]=4 4790 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,0,1,1,0,0|2,0,0]=4 4791 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,0,1,1,0,0|2,0,0]=4 4792 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,0,1,1,0,0|2,0,0]=4 4793 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,0,1,1,0,0|2,0,0]=4 4794 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [0,0,1,1,0,0|2,0,0]=4 4795 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [0,0,1,1,0,0|2,0,0]=4 4796 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [0,0,1,1,0,0|2,0,0]=4 4797 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [0,0,1,1,0,0|2,0,0]=4 4798 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [0,0,1,1,0,0|2,0,0]=4 4799 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [0,0,1,1,0,0|2,0,0]=4 4800 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [0,0,1,1,0,0|2,0,0]=4 4801 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [0,0,1,1,0,0|2,0,0]=4 4802 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [0,0,1,1,0,0|2,0,0]=4 4803 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,0,1,1,0,0|2,0,0]=4 4804 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [0,0,1,1,0,0|2,0,0]=4 4805 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [0,0,1,1,0,0|2,0,0]=4 4806 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,0,1,1,0,0|1,0,0]=3 4807 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,0,1,1,0,0|2,0,0]=4 4808 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [0,0,1,1,0,0|2,0,0]=4 4809 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [0,0,1,1,0,0|2,0,0]=4 4810 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [0,0,1,1,0,0|1,0,1]=4 4811 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,0,1,1,0,0|1,0,1]=4 4812 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [0,0,1,1,0,0|1,0,1]=4 4813 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [0,0,1,1,0,0|1,0,1]=4 4814 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,1,1,0,0|1,0,0]=3 4815 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,1,1,0,0|1,0,0]=3 4816 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,1,1,0,0|2,0,0]=4 4817 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,1,1,0,0|2,0,0]=4 4818 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,1,1,0,0|2,0,0]=4 4819 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,1,1,0,0|2,0,0]=4 4820 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,1,1,0,0|1,0,0]=3 4821 B10R1.168 CC(=O)NC1CC(C1)CO 240690a_100000095622_100015343762 [0,0,1,1,0,0|2,0,0]=4 4822 B10R1.168 CC(=O)NC1CC(C1)CO 527a_100000095622_100103153847 [0,0,1,1,0,0|2,0,0]=4 4823 B10R1.168 CC(=O)OC1CN(C1)CF 269982a_100016994906_100015361967 [0,0,1,1,0,0|2,0,0]=4 4824 B10R1.168 CCN1CC(C1)NC(=O)C 11a_200015199589_100015343762 [0,0,1,1,0,0|2,0,0]=4 4825 B10R1.168 CCN1CC(C1)NC(=O)C 1626a_200015199589_100015343762 [0,0,1,1,0,0|2,0,0]=4 4826 B10R1.168 CCN1CC(C1)NC(=O)C 240690a_200015199589_100015343762 [0,0,1,1,0,0|2,0,0]=4 4827 B10R1.168 CCN1CC(C1)OC(=O)C 269982a_100016994906_100000204670 [0,0,1,1,0,0|1,0,0]=3 4828 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 11a_100121570643_100015343762 [0,0,1,1,0,0|2,0,0]=4 4829 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 1626a_100121570643_100015343762 [0,0,1,1,0,0|2,0,0]=4 4830 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 240690a_100121570643_100015343762 [0,0,1,1,0,0|2,0,0]=4 4831 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 527a_100121570643_100103153847 [0,0,1,1,0,0|2,0,0]=4 4832 B10R1.180 CCCCC(C)OC1CC1 34a_100000687866_100000211595 [0,0,1,1,0,0|1,0,1]=4 4833 B10R1.192 CC(=O)N1C(CCC1C)C 11a_100000687148_100015343762 [0,0,1,1,0,0|1,0,0]=3 4834 B10R1.192 CC(=O)N1C(CCC1C)C 240690a_100000687148_100015343762 [0,0,1,1,0,0|1,0,0]=3 4835 B10R1.192 CC(=O)N1C(CCC1C)C 527a_100000687148_100103153847 [0,0,1,1,0,0|1,0,0]=3 4836 B10R1.266 CC(=O)NC(C)C1CCC1 11a_100016994624_100015343762 [0,0,1,1,0,0|1,0,0]=3 4837 B10R1.266 CC(=O)NC(C)C1CCC1 1626a_100016994624_100015343762 [0,0,1,1,0,0|1,0,0]=3 4838 B10R1.266 CC(=O)NC(C)C1CCC1 240690a_100016994624_100015343762 [0,0,1,1,0,0|1,0,0]=3 4839 B10R1.266 CC(=O)NC(C)C1CCC1 527a_100016994624_100103153847 [0,0,1,1,0,0|1,0,0]=3 4840 B10R1.266 CC(=O)OC(C)N1CCC1 269982a_100000754969_100009818208 [0,0,1,1,0,0|1,0,0]=3 4841 B10R1.266 CC(C)OC(C)C1CCC1 34a_100000766398_100000210206 [0,0,1,1,0,0|1,0,1]=4 4842 B10R1.266 CC(C)OC(C)C1CCC1 7a_100000766398_100000210206 [0,0,1,1,0,0|1,0,1]=4 4843 B10R1.268 CC(=O)OC(C)SC1CC1 62a_100009818208_100000211595 [0,0,1,1,0,0|1,0,0]=3 4844 B10R1.370 CC(=O)NC1(CCOC1)C 11a_100000693475_100015343762 [0,0,1,1,0,0|2,0,0]=4 4845 B10R1.370 CC(=O)NC1(CCOC1)C 1626a_100000693475_100015343762 [0,0,1,1,0,0|2,0,0]=4 4846 B10R1.370 CC(=O)NC1(CCOC1)C 240690a_100000693475_100015343762 [0,0,1,1,0,0|2,0,0]=4 4847 B10R1.370 CC(=O)NC1(CCOC1)C 527a_100000693475_100103153847 [0,0,1,1,0,0|2,0,0]=4 4848 B10R1.370 CC(C)OC1(CCCC1)C 34a_100000751722_100000210206 [0,0,1,1,0,0|1,0,1]=4 4849 B10R1.370 CC(C)OC1(CCCC1)C 7a_100000751722_100000210206 [0,0,1,1,0,0|1,0,1]=4 4850 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [0,0,1,1,0,0|2,0,0]=4 4851 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [0,0,1,1,0,0|2,0,0]=4 4852 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [0,0,1,1,0,0|2,0,0]=4 4853 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,0,1,1,0,0|2,0,0]=4 4854 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,0,1,1,0,0|2,0,0]=4 4855 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [0,0,1,1,0,0|2,0,0]=4 4856 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,0,1,1,0,0|2,0,0]=4 4857 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [0,0,1,1,0,0|2,0,0]=4 4858 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [0,0,1,1,0,0|2,0,0]=4 4859 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [0,0,1,1,0,0|2,0,0]=4 4860 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [0,0,1,1,0,0|2,0,0]=4 4861 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [0,0,1,1,0,0|2,0,0]=4 4862 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [0,0,1,1,0,0|2,0,0]=4 4863 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [0,0,1,1,0,0|1,0,0]=3 4864 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [0,0,1,1,0,0|2,0,0]=4 4865 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [0,0,1,1,0,0|2,0,0]=4 4866 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [0,0,1,1,0,0|2,0,0]=4 4867 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [0,0,1,1,0,0|2,0,0]=4 4868 B10R1.178 CC(NCC=O)C1CCC1 2230a_100016994624_200015260668 [0,0,1,1,0,0|2,0,0]=4 4869 B10R1.178 CC(NCC=O)C1CCC1 34a_100016994624_200009817547 [0,0,1,1,0,0|2,0,0]=4 4870 B10R1.178 CC(OCC=O)C1CCC1 34a_100000766398_200009817547 [0,0,1,1,0,0|2,0,0]=4 4871 B10R1.178 CC(OCC=O)C1CCC1 7a_100000766398_200015260668 [0,0,1,1,0,0|2,0,0]=4 4872 B10R1.187 CC1CCC(N1CC=O)C 2230a_100000687148_200015260668 [0,0,1,1,0,0|2,0,0]=4 4873 B10R1.187 CC1CCC(N1CC=O)C 269982a_100000687148_200015260668 [0,0,1,1,0,0|2,0,0]=4 4874 B10R1.187 CC1CCC(N1CC=O)C 34a_100000687148_200009817547 [0,0,1,1,0,0|2,0,0]=4 4875 B10R1.1 CC1CCC(CC1)OCF 34a_100000210714_100015361967 [0,0,1,1,0,0|1,0,1]=4 4876 B10R1.1 CC1CCC(CC1)OCF 7a_100000210714_100015361967 [0,0,1,1,0,0|1,0,1]=4 4877 B10R1.1 CC1CCN(CC1)CC=O 2230a_100000188429_200015260668 [0,0,1,1,0,0|2,0,0]=4 4878 B10R1.1 CC1CCN(CC1)CC=O 269982a_100000188429_200015260668 [0,0,1,1,0,0|2,0,0]=4 4879 B10R1.1 CC1CCN(CC1)CC=O 34a_100000188429_200009817547 [0,0,1,1,0,0|2,0,0]=4 4880 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,0,1,1,0,0|1,0,1]=4 4881 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,0,1,1,0,0|1,0,1]=4 4882 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,0,1,1,0,0|1,0,1]=4 4883 B10R1.67 CCN(CC=O)C1CCC1 2230a_100000758130_200015260668 [0,0,1,1,0,0|2,0,0]=4 4884 B10R1.67 CCN(CC=O)C1CCC1 269982a_100000758130_200015260668 [0,0,1,1,0,0|2,0,0]=4 4885 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,0,1,1,0,0|1,0,1]=4 4886 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,0,1,1,0,0|1,0,1]=4 4887 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,0,1,1,0,0|1,0,1]=4 4888 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,0,1,1,0,0|1,0,1]=4 4889 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,0,1,1,0,0|1,0,1]=4 4890 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,0,1,1,0,0|2,0,0]=4 4891 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,0,1,1,0,0|2,0,0]=4 4892 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,0,1,1,0,0|2,0,0]=4 4893 B10R1.529 CCC1(CCCC1)OCF 7a_100000752416_100015361967 [0,0,1,1,0,0|1,0,1]=4 4894 B10R1.529 CCOC1(CCCC1)CC 7a_100000752416_100000210202 [0,0,1,1,0,0|1,0,1]=4 4895 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [0,0,1,1,0,0|2,0,0]=4 4896 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [0,0,1,1,0,0|2,0,0]=4 4897 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [0,0,1,1,0,0|2,0,0]=4 4898 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,0,1,1,0,0|1,0,1]=4 4899 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,0,1,1,0,0|1,0,0]=3 4900 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,0,1,1,0,0|1,0,0]=3 4901 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,0,1,1,0,0|2,0,0]=4 4902 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,0,1,1,0,0|2,0,0]=4 4903 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,0,1,1,0,0|2,0,0]=4 4904 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,0,1,1,0,0|2,0,0]=4 4905 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,0,1,1,0,0|2,0,0]=4 4906 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,0,1,1,0,0|2,0,0]=4 4907 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,0,1,1,0,0|2,0,0]=4 4908 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,0,1,1,0,0|2,0,0]=4 4909 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [0,0,1,1,0,0|2,0,0]=4 4910 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [0,0,1,1,0,0|2,0,0]=4 4911 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [0,0,1,1,0,0|2,0,0]=4 4912 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [0,0,1,1,0,0|2,0,0]=4 4913 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [0,0,1,1,0,0|2,0,0]=4 4914 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [0,0,1,1,0,0|2,0,0]=4 4915 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [0,0,1,1,0,0|2,0,0]=4 4916 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,0,1,1,0,0|2,0,0]=4 4917 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,0,1,1,0,0|2,0,0]=4 4918 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,0,1,1,0,0|2,0,0]=4 4919 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,0,1,1,0,0|2,0,0]=4 4920 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,0,1,1,0,0|2,0,0]=4 4921 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,0,1,1,0,0|2,0,0]=4 4922 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,0,1,1,0,0|1,0,1]=4 4923 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,0,1,1,0,0|1,0,1]=4 4924 B10R1.70 CCCCCOC1(CC1)C 7a_100011725673_100000210326 [0,0,1,1,0,0|1,0,1]=4 4925 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,0,1,1,0,0|2,0,0]=4 4926 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,0,1,1,0,0|1,0,0]=3 4927 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,0,1,1,0,0|1,0,0]=3 4928 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,0,1,1,0,0|1,0,0]=3 4929 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,0,1,1,0,0|1,0,0]=3 4930 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,0,1,1,0,0|1,0,0]=3 4931 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,0,1,1,0,0|1,0,0]=3 4932 B10R1.149 CCC(=O)N1CCSC1C 11a_200011216479_100000210414 [0,0,1,1,0,0|2,0,0]=4 4933 B10R1.149 CCC(=O)N1CCSC1C 1626a_200011216479_100000210414 [0,0,1,1,0,0|2,0,0]=4 4934 B10R1.149 CCC(=O)N1CCSC1C 240690a_200011216479_100000210414 [0,0,1,1,0,0|2,0,0]=4 4935 B10R1.149 CCC(=O)N1CCSC1C 527a_200011216479_100000210414 [0,0,1,1,0,0|2,0,0]=4 4936 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,0,1,1,0,0|2,0,0]=4 4937 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,0,1,1,0,0|2,0,0]=4 4938 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,0,1,1,0,0|2,0,0]=4 4939 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,0,1,1,0,0|2,0,0]=4 4940 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,0,1,1,0,0|2,0,0]=4 4941 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [0,0,1,1,0,0|2,0,0]=4 4942 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [0,0,1,1,0,0|2,0,0]=4 4943 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [0,0,1,1,0,0|2,0,0]=4 4944 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [0,0,1,1,0,0|2,0,0]=4 4945 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,0,1,1,0,0|2,0,0]=4 4946 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,0,1,1,0,0|2,0,0]=4 4947 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,0,1,1,0,0|2,0,0]=4 4948 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,0,1,1,0,0|2,0,0]=4 4949 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,0,1,1,0,0|2,0,0]=4 4950 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,0,1,1,0,0|2,0,0]=4 4951 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,0,1,1,0,0|1,0,0]=3 4952 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,0,1,1,0,0|1,0,0]=3 4953 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,0,1,1,0,0|1,0,0]=3 4954 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,0,1,1,0,0|1,0,0]=3 4955 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [0,0,1,1,0,0|2,0,0]=4 4956 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [0,0,1,1,0,0|2,0,0]=4 4957 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [0,0,1,1,0,0|2,0,0]=4 4958 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [0,0,1,1,0,0|2,0,0]=4 4959 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [0,0,1,1,0,0|2,0,0]=4 4960 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [0,0,1,1,0,0|2,0,0]=4 4961 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [0,0,1,1,0,0|2,0,0]=4 4962 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [0,0,1,1,0,0|2,0,0]=4 4963 B10R1.151 CCC(=O)NNC1CCC1 22a_100000736358_100000210414 [0,0,1,1,0,0|2,0,0]=4 4964 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [0,0,1,1,0,0|1,0,1]=4 4965 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [0,0,1,1,0,0|1,0,1]=4 4966 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,0,1,1,0,0|2,0,0]=4 4967 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,0,1,1,0,0|2,0,0]=4 4968 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,0,1,1,0,0|2,0,0]=4 4969 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,0,1,1,0,0|2,0,0]=4 4970 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,0,1,1,0,0|2,0,0]=4 4971 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,0,1,1,0,0|2,0,0]=4 4972 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,0,1,1,0,0|2,0,0]=4 4973 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,0,1,1,0,0|2,0,0]=4 4974 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,0,1,1,0,0|2,0,0]=4 4975 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,0,1,1,0,0|2,0,0]=4 4976 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,0,1,1,0,0|2,0,0]=4 4977 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,0,1,1,0,0|2,0,0]=4 4978 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,0,1,1,0,0|2,0,0]=4 4979 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,0,1,1,0,0|1,0,0]=3 4980 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,0,1,1,0,0|1,0,0]=3 4981 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,0,1,1,0,0|1,0,0]=3 4982 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [0,0,1,1,0,0|2,0,0]=4 4983 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [0,0,1,1,0,0|1,0,1]=4 4984 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [0,0,1,1,0,0|1,0,1]=4 4985 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [0,0,1,1,0,0|1,0,1]=4 4986 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,0,1,1,0,0|2,0,0]=4 4987 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,0,1,1,0,0|2,0,0]=4 4988 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,0,1,1,0,0|2,0,0]=4 4989 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,0,1,1,0,0|2,0,0]=4 4990 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,0,1,1,0,0|2,0,0]=4 4991 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,0,1,1,0,0|2,0,0]=4 4992 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,0,1,1,0,0|2,0,0]=4 4993 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,0,1,1,0,0|2,0,0]=4 4994 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [0,0,1,1,0,0|1,0,1]=4 4995 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [0,0,1,1,0,0|1,0,1]=4 4996 B10R2.193 C1COC(C1)OC2CC2 34a_100000085407_100000211595 [1,0,0,1,0,0|1,0,1]=4 4997 B10R2.267 O=C1CC(C1)SC2CC2 62a_100009894365_100000211595 [0,0,0,1,1,0|2,0,0]=4 4998 B10R2.337 O=C1CC(C1)N2CCC2 269982a_100000754969_100009894365 [0,0,0,1,1,0|2,0,0]=4 4999 B10R2.27 O=C1CCC1NC2CC2 34a_100000212008_100009892977 [0,0,0,1,1,0|1,0,0]=3 5000 B10R2.27 O=C1CCC1SC2CC2 62a_100009892977_100000211595 [0,0,0,1,1,0|1,0,0]=3 5001 B10R2.324 O=C1CCC1N2CCC2 269982a_100000754969_100009892977 [0,0,0,1,1,0|1,0,0]=3 5002 B12R2.294 O=C1CCC(CC1)OC2CC2 34a_100000764474_100000211595 [0,0,0,1,0,1|2,0,0]=4 5003 B12R2.294 O=C1CCC(CN1)NC2CC2 34a_100000748762_100000211595 [0,0,0,1,0,1|2,0,0]=4 5004 B12R2.294 O=C1CCC(CN1)OC2CC2 34a_100000079199_100000211595 [0,0,0,1,0,1|2,0,0]=4 5005 B12R2.1286 O=C1CC(CCN1)NC2CC2 34a_100016994916_100000211595 [0,0,0,1,0,1|2,0,0]=4 5006 B12R2.1286 O=C1CCCC(C1)OC2CC2 34a_100012613340_100000211595 [0,0,0,1,0,1|2,0,0]=4 5007 B12R2.1286 O=C1CN(CCN1)CC2CC2 2230a_100000184651_100000742324 [0,0,0,1,0,1|2,0,0]=4 5008 B12R2.1286 O=C1CN(CCO1)CC2CC2 2230a_100000131268_100000742324 [0,0,0,1,0,1|2,0,0]=4 5009 B12R2.1286 O=C1C[C@@H](CCN1)OC2CC2 34a_100015189427_100000211595 [0,0,0,1,0,1|2,0,0]=4 5010 B12R2.2313 O=C1CN(CCN1)C2CCC2 270004a_100000184651_100000241760 [0,0,0,1,0,1|2,0,0]=4 5011 B12R2.2313 O=C1CN(CCO1)C2CCC2 270004a_100000131268_100000241760 [0,0,0,1,0,1|2,0,0]=4 5012 B12R2.76 CC1CN(C1)C2COC(=O)O2 34a_100000702820_100000032252 [0,1,0,1,0,0|2,0,0]=4 5013 B12R2.76 O=C1OCC(O1)N2CC(C2)F 34a_100000690557_100000032252 [0,1,0,1,0,0|2,0,0]=4 5014 B12R2.40 CCCN1CC2CCC(C1)O2 2230a_100015188616_100000210303 [0,1,0,1,0,0|1,0,1]=4 5015 B12R2.40 CCCN1CC2CCC(C1)O2 269982a_100015188616_100000210303 [0,1,0,1,0,0|1,0,1]=4 5016 B12R2.40 CCCN1CC2CCC(C1)O2 34a_100015188616_100000210303 [0,1,0,1,0,0|1,0,1]=4 5017 B12R2.40 CCNC1CC2CCC(C1)O2 270004a_100015525214_100010474450 [0,1,0,1,0,0|1,0,1]=4 5018 B12R2.75 CC1CCN1C2COC(=O)O2 34a_100000755817_100000032252 [0,1,0,1,0,0|1,0,0]=3 5019 B12R2.78 O=C1OCC(O1)N[C@@H]2C[C@H]2F 34a_100025746932_100000032252 [0,1,0,1,0,0|2,0,0]=4 5020 B12R2.2298 O=C1CC(CN1)CNC2CC2 34a_100016993742_100000211595 [0,1,0,1,0,0|2,0,0]=4 5021 B12R2.2298 O=C1CC(CN1)COC2CC2 34a_100016041077_100000211595 [0,1,0,1,0,0|2,0,0]=4 5022 B12R2.2298 O=C1CC(CN1)NCC2CC2 2230a_100000697751_100000742324 [0,1,0,1,0,0|2,0,0]=4 5023 B12R2.2298 O=C1CC(CN1)NCC2CC2 269862a_100000697751_100000741477 [0,1,0,1,0,0|2,0,0]=4 5024 B12R2.2298 O=C1CC(CN1)OCC2CC2 34a_100000690082_100000742324 [0,1,0,1,0,0|2,0,0]=4 5025 B12R2.2298 O=C1CCC(C1)OCC2CC2 34a_100012614533_100000742324 [0,1,0,1,0,0|1,0,0]=3 5026 B12R2.2298 O=C1CCC(C1)OCC2CO2 34a_100012614533_102125554688 [0,1,0,1,0,0|2,0,0]=4 5027 B12R2.2298 O=C1CCC(N1)COC2CC2 34a_100000737831_100000211595 [0,1,0,1,0,0|1,0,0]=3 5028 B12R2.2298 O=C1CC[C@@H](N1)CNC2CC2 34a_100015423886_100000211595 [0,1,0,1,0,0|1,0,0]=3 5029 B12R2.2298 O=C1CC[C@H](N1)CSC2CC2 62a_100015189358_100000211595 [0,1,0,1,0,0|1,0,0]=3 5030 B12R2.2298 O=C1NCC(O1)CNC2CC2 34a_100000212008_100000181169 [0,1,0,1,0,0|1,0,0]=3 5031 B12R2.2298 O=C1NCC(O1)COC2CC2 34a_100011315639_100000211595 [0,1,0,1,0,0|1,0,0]=3 5032 B12R2.2298 O=C1NCC(O1)CSC2CC2 62a_100000181169_100000211595 [0,1,0,1,0,0|1,0,0]=3 5033 B12R2.2298 O=C1N[C@H](CO1)CNC2CC2 34a_100000212008_100015307671 [0,1,0,1,0,0|2,0,0]=4 5034 B12R2.2298 O=C1N[C@H](CO1)CSC2CC2 62a_100015307671_100000211595 [0,1,0,1,0,0|2,0,0]=4 5035 B12R2.2298 O=C1OCC(O1)CNC2CC2 34a_100000212008_100000073702 [0,1,0,1,0,0|1,0,0]=3 5036 B12R2.2298 O=C1OCC(O1)CSC2CC2 62a_100000073702_100000211595 [0,1,0,1,0,0|1,0,0]=3 5037 B12R2.2298 O=C1OCC(O1)NCC2CC2 34a_100000735609_100000032252 [0,1,0,1,0,0|1,0,0]=3 5038 B12R2.2298 O=C1OCC(O1)OCC2CC2 34a_100000211283_100000032252 [0,1,0,1,0,0|1,0,0]=3 5039 B12R2.2298 O=C1OCC(O1)OC[C@@H]2CO2 34a_100000757423_100000032252 [0,1,0,1,0,0|2,0,0]=4 5040 B12R2.2298 O=C1OCC(O1)SCC2CC2 62a_100000756562_100000032252 [0,1,0,1,0,0|1,0,0]=3 5041 B12R2.2298 O=C1OCC(O1)SCC2CO2 62a_102125554688_100000032252 [0,1,0,1,0,0|2,0,0]=4 5042 B12R2.2298 O=C1OCC(O1)SCC2CS2 62a_100000031435_100000032252 [0,1,0,1,0,0|2,0,0]=4 5043 B12R2.2298 O=C1OCC(O1)SC[C@@H]2CO2 62a_100000745022_100000032252 [0,1,0,1,0,0|2,0,0]=4 5044 B12R2.2301 O=C1CC(CN1)OC2CCC2 34a_100000690082_100000749161 [0,1,0,1,0,0|2,0,0]=4 5045 B12R2.2301 O=C1CCC(C1)OC2CCC2 34a_100012614533_100000749161 [0,1,0,1,0,0|1,0,0]=3 5046 B12R2.2301 O=C1CCC(C1)OC2COC2 34a_100012614533_100009818527 [0,1,0,1,0,0|2,0,0]=4 5047 B12R2.2301 O=C1CC[C@H](N1)CN2CCC2 269982a_100000754969_100015189358 [0,1,0,1,0,0|1,0,0]=3 5048 B12R2.2301 O=C1NCC(O1)CN2CCC2 269982a_100000754969_100000181169 [0,1,0,1,0,0|1,0,0]=3 5049 B12R2.2301 O=C1N[C@H](CO1)CN2CCC2 269982a_100000754969_100015307671 [0,1,0,1,0,0|2,0,0]=4 5050 B12R2.2301 O=C1OCC(O1)CN2CCC2 269982a_100000754969_100000073702 [0,1,0,1,0,0|1,0,0]=3 5051 B12R2.2301 O=C1OCC(O1)NC2CCC2 34a_100000749019_100000032252 [0,1,0,1,0,0|1,0,0]=3 5052 B12R2.2301 O=C1OCC(O1)OC2CCC2 34a_100000748187_100000032252 [0,1,0,1,0,0|1,0,0]=3 5053 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200000210301 [0,1,0,1,0,0|0,0,1]=3 5054 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200000210301 [0,1,0,1,0,0|0,0,1]=3 5055 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200025704644 [0,1,0,1,0,0|0,0,1]=3 5056 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200025704644 [0,1,0,1,0,0|0,0,1]=3 5057 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,0,1,0,1,0|2,0,0]=4 5058 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,0,1,0,1,0|2,0,0]=4 5059 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,0,1,0,1,0|2,0,0]=4 5060 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,0,1,0,1,0|2,0,0]=4 5061 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,0,1,0,1,0|2,0,0]=4 5062 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,0,1,0,1,0|2,0,0]=4 5063 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,0,1,0,1,0|2,0,0]=4 5064 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,0,1,0,1,0|2,0,0]=4 5065 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,0,1,0,1,0|2,0,0]=4 5066 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,0,1,0,1,0|2,0,0]=4 5067 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,0,1,0,1,0|2,0,0]=4 5068 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,0,1,0,1,0|2,0,0]=4 5069 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,0,1,0,1,0|0,0,2]=4 5070 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,0,1,0,1,0|0,0,2]=4 5071 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,1,0,1,0|0,0,0]=2 5072 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,1,0,1,0|0,0,0]=2 5073 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,1,0,1,0|0,0,0]=2 5074 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,0,1,0,1,0|2,0,0]=4 5075 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,0,1,0,1,0|2,0,0]=4 5076 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,0,1,0,1,0|2,0,0]=4 5077 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,1,0,1,0|1,0,0]=3 5078 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,1,0,1,0|1,0,0]=3 5079 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,1,0,1,0|1,0,0]=3 5080 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,1,0,1,0|1,0,0]=3 5081 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,1,0,1,0|1,0,0]=3 5082 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,1,0,1,0|1,0,0]=3 5083 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,1,0,1,0|2,0,0]=4 5084 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,0,1,0,1,0|2,0,0]=4 5085 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,0,1,0,1,0|2,0,0]=4 5086 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,0,1,0,1,0|1,0,0]=3 5087 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,0,1,0,1,0|2,0,0]=4 5088 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,0,1,0,1,0|2,0,0]=4 5089 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,0,1,0,1,0|2,0,0]=4 5090 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,0,1,0,1,0|2,0,0]=4 5091 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,0,1,0,1,0|1,0,0]=3 5092 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,0,1,0,1,0|1,0,0]=3 5093 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,0,1,0,1,0|2,0,0]=4 5094 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,0,1,0,1,0|2,0,0]=4 5095 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,1,0,1,0|2,0,0]=4 5096 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,0,1,0,1,0|1,0,0]=3 5097 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,0,1,0,1,0|1,0,0]=3 5098 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,0,1,0,1,0|2,0,0]=4 5099 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,0,1,0,1,0|2,0,0]=4 5100 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,0,1,0,1,0|2,0,0]=4 5101 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,0,1,0,1,0|2,0,0]=4 5102 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,0,1,0,1,0|2,0,0]=4 5103 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,0,1,0,1,0|2,0,0]=4 5104 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,0,1,0,1,0|2,0,0]=4 5105 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,0,1,0,1,0|2,0,0]=4 5106 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,0,1,0,1,0|2,0,0]=4 5107 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,0,1,0,1,0|2,0,0]=4 5108 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,0,1,0,1,0|2,0,0]=4 5109 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,0,1,0,1,0|2,0,0]=4 5110 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,0,1,0,1,0|2,0,0]=4 5111 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,0,1,0,1,0|2,0,0]=4 5112 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,0,1,0,1,0|2,0,0]=4 5113 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,0,1,0|2,0,0]=4 5114 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,0,1,0|2,0,0]=4 5115 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,0,1,0|2,0,0]=4 5116 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,0,1,0|2,0,0]=4 5117 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,0,1,0|2,0,0]=4 5118 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,0,1,0|2,0,0]=4 5119 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,0,1,0|2,0,0]=4 5120 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,0,1,0|2,0,0]=4 5121 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,0,1,0|2,0,0]=4 5122 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,0,1,0|1,0,0]=3 5123 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,0,1,0|1,0,0]=3 5124 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,0,1,0|1,0,0]=3 5125 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [1,0,0,0,1,0|2,0,0]=4 5126 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [1,0,0,0,1,0|2,0,0]=4 5127 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [1,0,0,0,1,0|1,0,1]=4 5128 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [1,0,0,0,1,0|1,0,1]=4 5129 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [1,0,0,0,1,0|1,0,1]=4 5130 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [1,0,0,0,1,0|1,0,1]=4 5131 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [1,0,0,0,1,0|1,0,1]=4 5132 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [1,0,0,0,1,0|1,0,1]=4 5133 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [1,0,0,0,1,0|1,0,1]=4 5134 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [1,0,0,0,1,0|1,0,1]=4 5135 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [1,0,0,0,1,0|1,0,1]=4 5136 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [1,0,0,0,1,0|1,0,1]=4 5137 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [1,0,0,0,1,0|1,0,1]=4 5138 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [1,0,0,0,1,0|1,0,0]=3 5139 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [1,0,0,0,1,0|1,0,0]=3 5140 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [1,0,0,0,1,0|1,0,0]=3 5141 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,0,1,0|1,0,1]=4 5142 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,0,1,0|1,0,1]=4 5143 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [1,0,0,0,1,0|1,0,0]=3 5144 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [1,0,0,0,1,0|1,0,0]=3 5145 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [1,0,0,0,1,0|1,0,1]=4 5146 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [1,0,0,0,1,0|1,0,1]=4 5147 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [1,0,0,0,1,0|1,0,0]=3 5148 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [1,0,0,0,1,0|1,0,0]=3 5149 B8R1.10 FCNC[C@@H]1CCO1 34a_100020831831_100015361967 [1,0,0,0,1,0|2,0,0]=4 5150 B8R1.10 FCOCC1CCO1 34a_100000039022_100015361967 [1,0,0,0,1,0|2,0,0]=4 5151 B8R1.10 FCSCC1CCO1 62a_100000103362_100015361967 [1,0,0,0,1,0|2,0,0]=4 5152 B8R1.10 FCSCC1CCO1 62a_100015361967_100000103362 [1,0,0,0,1,0|2,0,0]=4 5153 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [0,0,0,0,0,2|2,0,0]=4 5154 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [0,0,0,0,0,2|2,0,0]=4 5155 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,0,0,0,0,2|2,0,0]=4