0 B11R1.230 CCSCc1oc(=O)oc1C 62a_100000210202_100000068490 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.16 NCCOC1COC(=O)O1 34a_100000210304_100000032252 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.16 O=C1NCC(O1)COCF 34a_100011315639_100015361967 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.16 O=C1NCC(O1)CSCF 62a_100000181169_100015361967 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.16 O=C1NCC(O1)CSCF 62a_100015361967_100000181169 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.16 O=C1OCC(O1)NCCF 34a_100000724931_100000032252 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.16 O=C1OCC(O1)OCCBr 34a_100000211926_100000032252 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.16 O=C1OCC(O1)SCCF 62a_100011217306_100000032252 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.29 CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210303 [1,0,0,0,0,0|3,0,0]=4 66 B12R1.456 CCCSCc1oc(=O)oc1C 62a_100000210303_100000068490 [0,1,0,0,0,0|1,0,2]=4 67 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,0,1,0,0,0|1,0,2]=4 68 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,0,1,0,0,0|1,0,2]=4 69 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,0,1,0,0,0|1,0,2]=4 70 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,0,1,0,0,0|1,0,2]=4 71 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,0,1,0,0,0|1,0,2]=4 72 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,0,1,0,0,0|1,0,2]=4 73 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [0,0,1,0,0,0|1,0,2]=4 74 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [0,0,1,0,0,0|1,0,2]=4 75 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [0,0,1,0,0,0|1,0,2]=4 76 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [0,0,1,0,0,0|1,0,2]=4 77 B10R0.1 C#CCNCOC(=O)CCC 34a_100000212058_100000034017 [0,0,1,0,0,0|1,0,2]=4 78 B10R0.1 C#CCOCOC(=O)CCC 34a_100000210247_100000034017 [0,0,1,0,0,0|1,0,2]=4 79 B10R0.1 C#CCSCOC(=O)CCC 62a_100000038162_100000034017 [0,0,1,0,0,0|1,0,2]=4 80 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,0,1,0,0,0|1,0,2]=4 81 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,0,1,0,0,0|1,0,2]=4 82 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,0,1,0,0,0|1,0,2]=4 83 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,0,1,0,0,0|1,0,2]=4 84 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,0,1,0,0,0|1,0,2]=4 85 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,0,1,0,0,0|1,0,2]=4 86 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,0,1,0,0,0|1,0,2]=4 87 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,0,1,0,0,0|1,0,2]=4 88 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,0,1,0,0,0|1,0,2]=4 89 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,0,1,0,0,0|1,0,2]=4 90 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,0,1,0,0,0|1,0,2]=4 91 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,0,1,0,0,0|1,0,2]=4 92 B10R0.1 C=CCNCOC(=O)CCC 2230a_100020586998_100000034017 [0,0,1,0,0,0|1,0,2]=4 93 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [0,0,1,0,0,0|1,0,2]=4 94 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [0,0,1,0,0,0|1,0,2]=4 95 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,0,1,0,0,0|1,0,2]=4 96 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,0,1,0,0,0|1,0,2]=4 97 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,0,1,0,0,0|1,0,2]=4 98 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,0,1,0,0,0|1,0,2]=4 99 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,0,1,0,0,0|1,0,2]=4 100 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,0,1,0,0,0|1,0,2]=4 101 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,0,1,0,0,0|1,0,2]=4 102 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,0,1,0,0,0|2,0,1]=4 103 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,0,1,0,0,0|2,0,0]=3 104 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,0,1,0,0,0|2,0,0]=3 105 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,0,1,0,0,0|2,0,0]=3 106 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,0,1,0,0,0|2,0,0]=3 107 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,0,1,0,0,0|2,0,0]=3 108 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,0,1,0,0,0|3,0,0]=4 109 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,0,1,0,0,0|3,0,0]=4 110 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,0,1,0,0,0|3,0,0]=4 111 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,0,1,0,0,0|3,0,0]=4 112 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,0,1,0,0,0|3,0,0]=4 113 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,0,1,0,0,0|3,0,0]=4 114 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,0,1,0,0,0|3,0,0]=4 115 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,0,1,0,0,0|3,0,0]=4 116 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,0,1,0,0,0|3,0,0]=4 117 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,0,1,0,0,0|3,0,0]=4 118 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,0,1,0,0,0|3,0,0]=4 119 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,0,1,0,0,0|3,0,0]=4 120 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,0,1,0,0,0|3,0,0]=4 121 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,0,1,0,0,0|3,0,0]=4 122 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,0,1,0,0,0|3,0,0]=4 123 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,0,1,0,0,0|3,0,0]=4 124 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,0,1,0,0,0|3,0,0]=4 125 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,0,1,0,0,0|2,0,0]=3 126 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,0,1,0,0,0|2,0,0]=3 127 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,0,1,0,0,0|2,0,0]=3 128 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,0,1,0,0,0|2,0,0]=3 129 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,0,1,0,0,0|2,0,0]=3 130 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,0,1,0,0,0|2,0,0]=3 131 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,0,1,0,0,0|2,0,0]=3 132 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,0,1,0,0,0|2,0,0]=3 133 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,0,1,0,0,0|2,0,0]=3 134 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,0,1,0,0,0|2,0,0]=3 135 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,0,1,0,0,0|2,0,0]=3 136 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,0,1,0,0,0|2,0,0]=3 137 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,0,1,0,0,0|2,0,0]=3 138 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,0,1,0,0,0|2,0,0]=3 139 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,0,1,0,0,0|2,0,0]=3 140 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,0,1,0,0,0|2,0,0]=3 141 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,0,1,0,0,0|2,0,0]=3 142 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [0,0,1,0,0,0|3,0,0]=4 143 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [0,0,1,0,0,0|2,0,0]=3 144 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,0,1,0,0,0|2,0,0]=3 145 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,0,1,0,0,0|2,0,0]=3 146 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [0,0,1,0,0,0|2,0,0]=3 147 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [0,0,1,0,0,0|2,0,0]=3 148 B10R0.1 CCCC(=O)OCSCC#N 62a_100011215382_100000034017 [0,0,1,0,0,0|2,0,1]=4 149 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [0,0,1,0,0,0|2,0,1]=4 150 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [0,0,1,0,0,0|2,0,0]=3 151 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,0,1,0,0,0|2,0,0]=3 152 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,0,1,0,0,0|2,0,0]=3 153 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,0,1,0,0,0|2,0,0]=3 154 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [0,0,1,0,0,0|2,0,1]=4 155 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [0,0,1,0,0,0|2,0,1]=4 156 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [0,0,1,0,0,0|2,0,1]=4 157 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [0,0,1,0,0,0|2,0,1]=4 158 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [0,0,1,0,0,0|2,0,1]=4 159 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [0,0,1,0,0,0|2,0,1]=4 160 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [0,0,1,0,0,0|2,0,1]=4 161 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [0,0,1,0,0,0|2,0,1]=4 162 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [0,0,1,0,0,0|2,0,1]=4 163 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,0,1,0,0,0|2,0,1]=4 164 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,0,1,0,0,0|2,0,1]=4 165 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [0,0,1,0,0,0|2,0,1]=4 166 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [0,0,1,0,0,0|2,0,1]=4 167 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [0,0,1,0,0,0|2,0,1]=4 168 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [0,0,1,0,0,0|2,0,1]=4 169 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,0,1,0,0,0|2,0,1]=4 170 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,0,1,0,0,0|2,0,1]=4 171 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [0,0,1,0,0,0|2,0,1]=4 172 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [0,0,1,0,0,0|2,0,1]=4 173 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [0,0,1,0,0,0|2,0,1]=4 174 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [0,0,1,0,0,0|2,0,1]=4 175 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [0,0,1,0,0,0|2,0,1]=4 176 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [0,0,1,0,0,0|2,0,1]=4 177 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [0,0,1,0,0,0|2,0,1]=4 178 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [0,0,1,0,0,0|2,0,1]=4 179 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [0,0,1,0,0,0|2,0,1]=4 180 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,0,1,0,0,0|1,0,1]=3 181 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,0,1,0,0,0|2,0,1]=4 182 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,0,1,0,0,0|2,0,1]=4 183 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,0,1,0,0,0|2,0,1]=4 184 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,0,1,0,0,0|2,0,1]=4 185 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,0,1,0,0,0|2,0,1]=4 186 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,0,1,0,0,0|2,0,1]=4 187 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,0,1,0,0,0|1,0,0]=2 188 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,0,1,0,0,0|1,0,0]=2 189 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,0,1,0,0,0|2,0,0]=3 190 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,0,1,0,0,0|2,0,0]=3 191 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,0,1,0,0,0|2,0,0]=3 192 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,0,1,0,0,0|2,0,0]=3 193 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,0,1,0,0,0|2,0,0]=3 194 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,0,1,0,0,0|2,0,0]=3 195 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,0,1,0,0,0|2,0,0]=3 196 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,0,1,0,0,0|2,0,0]=3 197 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,0,1,0,0,0|3,0,0]=4 198 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,0,1,0,0,0|3,0,0]=4 199 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,0,1,0,0,0|3,0,0]=4 200 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,0,1,0,0,0|3,0,0]=4 201 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,0,1,0,0,0|3,0,0]=4 202 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,0,1,0,0,0|2,0,1]=4 203 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,0,1,0,0,0|2,0,1]=4 204 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,0,1,0,0,0|1,0,0]=2 205 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,0,1,0,0,0|1,0,0]=2 206 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,0,1,0,0,0|1,0,0]=2 207 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,0,1,0,0,0|1,0,0]=2 208 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,0,1,0,0,0|2,0,0]=3 209 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,0,1,0,0,0|2,0,0]=3 210 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,0,1,0,0,0|2,0,0]=3 211 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,0,1,0,0,0|2,0,0]=3 212 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,0,1,0,0,0|2,0,0]=3 213 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,0,1,0,0,0|2,0,0]=3 214 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,0,1,0,0,0|2,0,0]=3 215 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,0,1,0,0,0|2,0,0]=3 216 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,0,1,0,0,0|2,0,0]=3 217 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,0,1,0,0,0|2,0,0]=3 218 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,0,1,0,0,0|2,0,0]=3 219 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,0,1,0,0,0|2,0,0]=3 220 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,0,1,0,0,0|2,0,0]=3 221 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,0,1,0,0,0|2,0,0]=3 222 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,0,1,0,0,0|2,0,0]=3 223 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,0,1,0,0,0|2,0,0]=3 224 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,0,1,0,0,0|2,0,0]=3 225 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,0,1,0,0,0|2,0,0]=3 226 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,0,1,0,0,0|2,0,0]=3 227 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,0,1,0,0,0|2,0,0]=3 228 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,0,1,0,0,0|2,0,0]=3 229 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,0,1,0,0,0|2,0,0]=3 230 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,0,1,0,0,0|2,0,0]=3 231 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,0,1,0,0,0|3,0,0]=4 232 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,0,1,0,0,0|3,0,0]=4 233 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,0,1,0,0,0|3,0,0]=4 234 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,0,1,0,0,0|2,0,1]=4 235 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,0,1,0,0,0|2,0,1]=4 236 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,0,1,0,0,0|2,0,1]=4 237 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,0,1,0,0,0|2,0,1]=4 238 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,0,1,0,0,0|1,0,1]=3 239 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,0,1,0,0,0|1,0,1]=3 240 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,0,1,0,0,0|1,0,1]=3 241 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,0,1,0,0,0|1,0,1]=3 242 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,0,1,0,0,0|2,0,1]=4 243 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,0,1,0,0,0|2,0,1]=4 244 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,0,1,0,0,0|2,0,1]=4 245 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,0,1,0,0,0|2,0,1]=4 246 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,0,1,0,0,0|2,0,1]=4 247 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,0,1,0,0,0|1,1,1]=4 248 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,0,1,0,0,0|1,1,1]=4 249 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,0,1,0,0,0|2,0,0]=3 250 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,0,1,0,0,0|2,0,0]=3 251 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,0,1,0,0,0|3,0,0]=4 252 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,0,1,0,0,0|3,0,0]=4 253 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,0,1,0,0,0|3,0,0]=4 254 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,0,1,0,0,0|3,0,0]=4 255 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,0,1,0,0,0|3,0,0]=4 256 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [0,0,1,0,0,0|3,0,0]=4 257 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,0,1,0,0,0|2,0,0]=3 258 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,0,1,0,0,0|3,0,0]=4 259 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,0,1,0,0,0|3,0,0]=4 260 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,0,1,0,0,0|3,0,0]=4 261 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,0,1,0,0,0|3,0,0]=4 262 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,0,1,0,0,0|3,0,0]=4 263 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,0,1,0,0,0|3,0,0]=4 264 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,0,1,0,0,0|2,0,0]=3 265 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,0,1,0,0,0|2,0,0]=3 266 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,0,1,0,0,0|2,0,0]=3 267 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,0,1,0,0,0|3,0,0]=4 268 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,0,1,0,0,0|3,0,0]=4 269 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,0,1,0,0,0|3,0,0]=4 270 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,0,1,0,0,0|3,0,0]=4 271 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,0,1,0,0,0|3,0,0]=4 272 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,0,1,0,0,0|3,0,0]=4 273 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,0,1,0,0,0|3,0,0]=4 274 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,0,1,0,0,0|3,0,0]=4 275 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,0,1,0,0,0|3,0,0]=4 276 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,0,1,0,0,0|3,0,0]=4 277 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,0,1,0,0,0|3,0,0]=4 278 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,0,1,0,0,0|3,0,0]=4 279 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,0,1,0,0,0|2,0,0]=3 280 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,0,1,0,0,0|2,0,0]=3 281 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,0,1,0,0,0|2,0,0]=3 282 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,0,1,0,0,0|3,0,0]=4 283 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,0,1,0,0,0|3,0,0]=4 284 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,0,1,0,0,0|3,0,0]=4 285 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,0,1,0,0,0|3,0,0]=4 286 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,0,1,0,0,0|3,0,0]=4 287 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,0,1,0,0,0|3,0,0]=4 288 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,0,1,0,0,0|3,0,0]=4 289 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,0,1,0,0,0|3,0,0]=4 290 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,0,1,0,0,0|3,0,0]=4 291 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,0,1,0,0,0|3,0,0]=4 292 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,0,1,0,0,0|2,0,0]=3 293 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,0,1,0,0,0|3,0,0]=4 294 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,0,1,0,0,0|3,0,0]=4 295 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,0,1,0,0,0|3,0,0]=4 296 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,0,1,0,0,0|3,0,0]=4 297 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,0,1,0,0,0|1,0,0]=2 298 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,0,1,0,0,0|3,0,0]=4 299 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,0,1,0,0,0|3,0,0]=4 300 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,0,1,0,0,0|3,0,0]=4 301 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,0,1,0,0,0|3,0,0]=4 302 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,0,1,0,0,0|1,0,0]=2 303 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,0,1,0,0,0|2,0,0]=3 304 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,0,1,0,0,0|3,0,0]=4 305 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,0,1,0,0,0|3,0,0]=4 306 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,0,1,0,0,0|3,0,0]=4 307 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,0,1,0,0,0|3,0,0]=4 308 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,0,1,0,0,0|3,0,0]=4 309 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,0,1,0,0,0|3,0,0]=4 310 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,0,1,0,0,0|3,0,0]=4 311 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,0,1,0,0,0|3,0,0]=4 312 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,0,1,0,0,0|3,0,0]=4 313 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,0,1,0,0,0|3,0,0]=4 314 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,0,1,0,0,0|3,0,0]=4 315 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,0,1,0,0,0|3,0,0]=4 316 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,0,1,0,0,0|3,0,0]=4 317 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,0,1,0,0,0|3,0,0]=4 318 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,0,1,0,0,0|3,0,0]=4 319 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,0,1,0,0,0|3,0,0]=4 320 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,0,1,0,0,0|3,0,0]=4 321 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,0,1,0,0,0|3,0,0]=4 322 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,0,1,0,0,0|3,0,0]=4 323 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,0,1,0,0,0|3,0,0]=4 324 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,0,1,0,0,0|3,0,0]=4 325 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,0,1,0,0,0|3,0,0]=4 326 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,0,1,0,0,0|3,0,0]=4 327 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,0,1,0,0,0|3,0,0]=4 328 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,0,1,0,0,0|3,0,0]=4 329 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,0,1,0,0,0|3,0,0]=4 330 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,0,1,0,0,0|3,0,0]=4 331 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,0,1,0,0,0|3,0,0]=4 332 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,0,1,0,0,0|3,0,0]=4 333 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,0,1,0,0,0|3,0,0]=4 334 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,0,1,0,0,0|3,0,0]=4 335 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,0,1,0,0,0|3,0,0]=4 336 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,0,1,0,0,0|3,0,0]=4 337 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,0,1,0,0,0|3,0,0]=4 338 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,0,1,0,0,0|3,0,0]=4 339 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,0,1,0,0,0|3,0,0]=4 340 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,0,1,0,0,0|3,0,0]=4 341 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,0,1,0,0,0|3,0,0]=4 342 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,0,1,0,0,0|3,0,0]=4 343 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,0,1,0,0,0|3,0,0]=4 344 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,0,1,0,0,0|3,0,0]=4 345 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,0,1,0,0,0|3,0,0]=4 346 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,0,1,0,0,0|3,0,0]=4 347 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,0,1,0,0,0|3,0,0]=4 348 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,0,1,0,0,0|3,0,0]=4 349 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,0,1,0,0,0|3,0,0]=4 350 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,0,1,0,0,0|3,0,0]=4 351 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,0,1,0,0,0|3,0,0]=4 352 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,0,1,0,0,0|3,0,0]=4 353 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,0,1,0,0,0|3,0,0]=4 354 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,0,1,0,0,0|3,0,0]=4 355 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,0,1,0,0,0|3,0,0]=4 356 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,0,1,0,0,0|3,0,0]=4 357 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,0,1,0,0,0|3,0,0]=4 358 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,0,1,0,0,0|3,0,0]=4 359 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,0,1,0,0,0|3,0,0]=4 360 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,0,1,0,0,0|3,0,0]=4 361 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,0,1,0,0,0|3,0,0]=4 362 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,0,1,0,0,0|3,0,0]=4 363 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,0,1,0,0,0|3,0,0]=4 364 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,0,1,0,0,0|3,0,0]=4 365 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,0,1,0,0,0|2,0,0]=3 366 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,0,1,0,0,0|2,0,0]=3 367 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,0,1,0,0,0|2,0,0]=3 368 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,0,1,0,0,0|2,0,0]=3 369 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,0,1,0,0,0|2,0,0]=3 370 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,0,1,0,0,0|2,0,0]=3 371 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,0,1,0,0,0|2,0,0]=3 372 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,0,1,0,0,0|2,0,0]=3 373 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,0,1,0,0,0|3,0,0]=4 374 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,0,1,0,0,0|3,0,0]=4 375 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,0,1,0,0,0|3,0,0]=4 376 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,0,1,0,0,0|3,0,0]=4 377 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,0,1,0,0,0|3,0,0]=4 378 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,0,1,0,0,0|3,0,0]=4 379 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,0,1,0,0,0|3,0,0]=4 380 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,0,1,0,0,0|3,0,0]=4 381 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,0,1,0,0,0|3,0,0]=4 382 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,0,1,0,0,0|3,0,0]=4 383 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,0,1,0,0,0|3,0,0]=4 384 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,0,1,0,0,0|3,0,0]=4 385 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,0,1,0,0,0|3,0,0]=4 386 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,0,1,0,0,0|3,0,0]=4 387 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,0,1,0,0,0|3,0,0]=4 388 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,0,1,0,0,0|3,0,0]=4 389 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,0,1,0,0,0|3,0,0]=4 390 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,0,1,0,0,0|3,0,0]=4 391 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,0,1,0,0,0|3,0,0]=4 392 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,0,1,0,0,0|3,0,0]=4 393 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,0,1,0,0,0|3,0,0]=4 394 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,0,1,0,0,0|3,0,0]=4 395 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,0,1,0,0,0|3,0,0]=4 396 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,0,1,0,0,0|3,0,0]=4 397 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,0,1,0,0,0|3,0,0]=4 398 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,0,1,0,0,0|3,0,0]=4 399 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,0,1,0,0,0|3,0,0]=4 400 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,0,1,0,0,0|3,0,0]=4 401 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,0,1,0,0,0|3,0,0]=4 402 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,0,1,0,0,0|3,0,0]=4 403 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,0,1,0,0,0|3,0,0]=4 404 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,0,1,0,0,0|3,0,0]=4 405 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,0,1,0,0,0|3,0,0]=4 406 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,0,1,0,0,0|3,0,0]=4 407 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,0,1,0,0,0|3,0,0]=4 408 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,0,1,0,0,0|3,0,0]=4 409 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,0,1,0,0,0|3,0,0]=4 410 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,0,1,0,0,0|3,0,0]=4 411 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,0,1,0,0,0|3,0,0]=4 412 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,0,1,0,0,0|3,0,0]=4 413 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,0,1,0,0,0|3,0,0]=4 414 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,0,1,0,0,0|3,0,0]=4 415 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,0,1,0,0,0|3,0,0]=4 416 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,0,1,0,0,0|3,0,0]=4 417 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,0,1,0,0,0|3,0,0]=4 418 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,0,1,0,0,0|3,0,0]=4 419 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,0,1,0,0,0|3,0,0]=4 420 B10R0.6 C#CCCCN(C)CC(=O)O 269956a_100000746989_100011215417 [0,0,1,0,0,0|1,0,2]=4 421 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,0,1,0,0,0|3,0,0]=4 422 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,0,1,0,0,0|3,0,0]=4 423 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,0,1,0,0,0|3,0,0]=4 424 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,0,1,0,0,0|3,0,0]=4 425 B10R0.6 C=C(F)CN(C)CCCCC 2230a_100000223495_100009893438 [0,0,1,0,0,0|3,0,0]=4 426 B10R0.6 C=C(F)CN(C)CCCCC 269982a_100000223495_100009893438 [0,0,1,0,0,0|3,0,0]=4 427 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [0,0,1,0,0,0|1,0,2]=4 428 B10R0.6 CC/C=C\CN(C)CC(=O)O 269956a_100000746989_100103147603 [0,0,1,0,0,0|1,0,2]=4 429 B10R0.6 CCC#CCN(C)CC(=O)O 269956a_100000746989_100009813939 [0,0,1,0,0,0|1,0,2]=4 430 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,0,1,0,0,0|2,0,1]=4 431 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,0,1,0,0,0|2,0,1]=4 432 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,0,1,0,0,0|2,0,1]=4 433 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,0,1,0,0,0|1,0,2]=4 434 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,0,1,0,0,0|2,0,0]=3 435 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,0,1,0,0,0|2,0,0]=3 436 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,0,1,0,0,0|2,0,0]=3 437 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,0,1,0,0,0|2,0,0]=3 438 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,0,1,0,0,0|2,0,0]=3 439 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,0,1,0,0,0|2,0,0]=3 440 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,0,1,0,0,0|2,0,0]=3 441 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,0,1,0,0,0|1,0,0]=2 442 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,0,1,0,0,0|1,0,1]=3 443 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,0,1,0,0,0|2,0,1]=4 444 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,0,1,0,0,0|2,0,1]=4 445 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,0,1,0,0,0|2,0,1]=4 446 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,0,1,0,0,0|2,0,1]=4 447 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,0,1,0,0,0|2,0,1]=4 448 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,0,1,0,0,0|2,0,1]=4 449 B10R0.6 CCCCCN(C)C[N+](=O)[O-] 269982a_100000223495_100000761209 [0,0,1,0,0,0|2,0,1]=4 450 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,0,1,0,0,0|3,0,0]=4 451 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,0,1,0,0,0|3,0,0]=4 452 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,0,1,0,0,0|2,0,0]=3 453 B10R0.6 CCOCCN(C)CC(=O)N 2230a_100000739694_100011215890 [0,0,1,0,0,0|3,0,0]=4 454 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,0,1,0,0,0|2,0,0]=3 455 B10R0.6 CCSCCN(C)CC(=O)N 2230a_100000739694_100000757381 [0,0,1,0,0,0|3,0,0]=4 456 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,0,1,0,0,0|2,0,0]=3 457 B10R0.6 CN(CCCC#N)CC(=O)O 269956a_100000746989_100000687738 [0,0,1,0,0,0|2,0,1]=4 458 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [0,0,1,0,0,0|2,0,1]=4 459 B10R0.6 CN(CCCCF)CC(=O)N 2230a_100000739694_100000729493 [0,0,1,0,0,0|3,0,0]=4 460 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,0,1,0,0,0|2,0,0]=3 461 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000717598_100000747473 [0,0,1,0,0,0|3,0,0]=4 462 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000739694_100000210776 [0,0,1,0,0,0|3,0,0]=4 463 B10R0.6 CN(CCCCO)CC(=O)N 269982a_100000717598_100000187820 [0,0,1,0,0,0|3,0,0]=4 464 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,0,1,0,0,0|2,0,0]=3 465 B10R0.6 CN(CCCCO)CC(=O)[O-] 269982a_100000717598_100020667443 [0,0,1,0,0,0|2,0,1]=4 466 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000224831_100000747473 [0,0,1,0,0,0|3,0,0]=4 467 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000739694_100000740836 [0,0,1,0,0,0|3,0,0]=4 468 B10R0.6 COCCCN(C)CC(=O)N 269982a_100000224831_100000187820 [0,0,1,0,0,0|3,0,0]=4 469 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,0,1,0,0,0|2,0,0]=3 470 B10R0.6 COCCCN(C)CC(=O)[O-] 269982a_100000224831_100020667443 [0,0,1,0,0,0|2,0,1]=4 471 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,0,1,0,0,0|3,0,0]=4 472 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,0,1,0,0,0|3,0,0]=4 473 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,0,1,0,0,0|3,0,0]=4 474 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,0,1,0,0,0|3,0,0]=4 475 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,0,1,0,0,0|2,0,1]=4 476 B10R0.19 C=CCC(C)C(=O)CCCC 1458a_100011216819_100000210211 [0,0,1,0,0,0|1,0,2]=4 477 B10R0.19 C=CCN(C)C(C)CCCC 2230a_100000225617_200011215066 [0,0,1,0,0,0|3,0,0]=4 478 B10R0.19 C=CCN(C)C(C)CCCC 269982a_100000225617_200011215066 [0,0,1,0,0,0|3,0,0]=4 479 B10R0.19 C=CCN(C)C(C)CCCC 270004a_100000225617_100000210087 [0,0,1,0,0,0|3,0,0]=4 480 B10R0.87 C=C(C)CN(CC)CCCC 2230a_100000207695_100000748629 [0,0,1,0,0,0|3,0,0]=4 481 B10R0.87 C=C(C)CN(CC)CCCC 2230a_100000211296_100000210211 [0,0,1,0,0,0|3,0,0]=4 482 B10R0.87 C=C(C)CN(CC)CCCC 269982a_100000207695_100000748629 [0,0,1,0,0,0|3,0,0]=4 483 B10R0.87 C=C(C)CN(CC)CCCC 269982a_100000211296_100000210211 [0,0,1,0,0,0|3,0,0]=4 484 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,0,1,0,0,0|1,0,0]=2 485 B10R0.87 CCCCC(CC)CN(C)C 2230a_100102631434_100000211942 [0,0,1,0,0,0|3,0,0]=4 486 B10R0.87 CCCCC(CC)CN(C)C 269982a_100102631434_100000211942 [0,0,1,0,0,0|3,0,0]=4 487 B10R0.87 CCCCC(CC)CN(C)C 270004a_100102631434_100011219736 [0,0,1,0,0,0|3,0,0]=4 488 B10R0.87 CCCCC(CC)NC(C)C 34a_100138425928_200011216223 [0,0,1,0,0,0|2,0,1]=4 489 B10R0.87 CCCCC(CC)OC(C)C 34a_100000212225_200011216223 [0,0,1,0,0,0|1,0,1]=3 490 B10R0.87 CCCCC(CC)OC(C)C 34a_100011215227_100000210206 [0,0,1,0,0,0|1,0,1]=3 491 B10R0.87 CCCCC(CC)OC(C)C 7a_100011215227_100000210206 [0,0,1,0,0,0|1,0,1]=3 492 B10R0.87 CCCCC(CC)SC(C)C 62a_100000210206_200011216223 [0,0,1,0,0,0|1,1,1]=4 493 B10R0.87 CCCCC(CC)SC(C)C 62a_200011216223_100000210206 [0,0,1,0,0,0|1,1,1]=4 494 B10R0.87 CCCCN(CC)CC(=O)N 2230a_100000207695_100000747473 [0,0,1,0,0,0|3,0,0]=4 495 B10R0.87 CCCCN(CC)CC(=O)N 269982a_100000207695_100000187820 [0,0,1,0,0,0|3,0,0]=4 496 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [0,0,1,0,0,0|3,0,0]=4 497 B10R0.87 CCCCN(CC)CC(=O)[O-] 269982a_100000207695_100020667443 [0,0,1,0,0,0|3,0,0]=4 498 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,0,1,0,0,0|2,0,0]=3 499 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,0,1,0,0,0|2,0,0]=3 500 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [0,0,1,0,0,0|3,0,0]=4 501 B10R0.87 CSCC[C@@H](CO)NC(=O)C 240690a_100011827619_100015343762 [0,0,1,0,0,0|3,0,0]=4 502 B10R0.87 CSCC[C@@H](CO)NC(=O)C 527a_100011827619_100103153847 [0,0,1,0,0,0|3,0,0]=4 503 B10R0.88 C=CCC(OCCC)C(C)C 34a_200011216146_100000210303 [0,0,1,0,0,0|3,0,0]=4 504 B10R0.88 C=CCC(OCCC)C(C)C 7a_200011216146_100000210303 [0,0,1,0,0,0|3,0,0]=4 505 B10R0.88 C=CCN(CCCC)C(C)C 2230a_100000207398_100000210623 [0,0,1,0,0,0|3,0,0]=4 506 B10R0.88 C=CCN(CCCC)C(C)C 2230a_100000742772_100000210211 [0,0,1,0,0,0|3,0,0]=4 507 B10R0.88 C=CCN(CCCC)C(C)C 269982a_100000207398_100000210623 [0,0,1,0,0,0|3,0,0]=4 508 B10R0.88 C=CCN(CCCC)C(C)C 269982a_100000742772_100000210211 [0,0,1,0,0,0|3,0,0]=4 509 B10R0.88 CC(C)N(CC=O)CCCO 2230a_100000182298_200015260668 [0,0,1,0,0,0|3,0,0]=4 510 B10R0.88 CC(C)N(CC=O)CCCO 269982a_100000182298_200015260668 [0,0,1,0,0,0|3,0,0]=4 511 B10R0.88 CCCCC(NCC)C(C)C 270004a_100015525214_200011215219 [0,0,1,0,0,0|2,0,1]=4 512 B10R0.88 CCCCN(CC=O)C(C)C 2230a_100000207398_200015260668 [0,0,1,0,0,0|2,0,0]=3 513 B10R0.88 CCCCN(CC=O)C(C)C 269982a_100000207398_200015260668 [0,0,1,0,0,0|2,0,0]=3 514 B10R0.88 COCCN(CC=O)C(C)C 2230a_200000223778_200015260668 [0,0,1,0,0,0|3,0,0]=4 515 B10R0.88 COCCN(CC=O)C(C)C 269982a_200000223778_200015260668 [0,0,1,0,0,0|3,0,0]=4 516 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,0,1,0,0,0|0,0,2]=4 517 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,0,1,0,0,0|0,0,2]=4 518 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,0,1,0,0,0|0,0,2]=4 519 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,0,1,0,0,0|0,0,2]=4 520 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,0,1,0,0,0|0,0,2]=4 521 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,0,1,0,0,0|0,0,2]=4 522 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [1,0,1,0,0,0|2,0,0]=4 523 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [1,0,1,0,0,0|2,0,0]=4 524 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,0,1,0,0,0|0,0,2]=4 525 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,0,1,0,0,0|0,0,2]=4 526 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [1,0,1,0,0,0|2,0,0]=4 527 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [1,0,1,0,0,0|2,0,0]=4 528 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [1,0,1,0,0,0|2,0,0]=4 529 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [1,0,1,0,0,0|2,0,0]=4 530 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [1,0,1,0,0,0|2,0,0]=4 531 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [1,0,1,0,0,0|2,0,0]=4 532 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,0,1,0,0,0|0,0,2]=4 533 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,0,1,0,0,0|0,0,2]=4 534 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,0,1,0,0,0|0,0,2]=4 535 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,1,0,0,0|0,0,2]=4 536 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,0,1,0,0,0|0,0,2]=4 537 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,0,1,0,0,0|0,0,2]=4 538 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,0,1,0,0,0|1,0,1]=4 539 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,0,1,0,0,0|1,0,1]=4 540 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,0,1,0,0,0|1,0,0]=3 541 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,0,1,0,0,0|1,0,0]=3 542 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,0,1,0,0,0|1,0,0]=3 543 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,0,1,0,0,0|1,0,0]=3 544 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,0,1,0,0,0|1,0,0]=3 545 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,0,1,0,0,0|1,0,0]=3 546 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,1,0,0,0|1,0,0]=3 547 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,1,0,0,0|1,0,0]=3 548 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,0,1,0,0,0|1,0,0]=3 549 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,0,1,0,0,0|1,0,0]=3 550 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,0,1,0,0,0|2,0,0]=4 551 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,0,1,0,0,0|2,0,0]=4 552 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,0,1,0,0,0|2,0,0]=4 553 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,0,1,0,0,0|2,0,0]=4 554 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,0,1,0,0,0|2,0,0]=4 555 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,0,1,0,0,0|2,0,0]=4 556 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,0,1,0,0,0|2,0,0]=4 557 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,0,1,0,0,0|2,0,0]=4 558 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,0,1,0,0,0|2,0,0]=4 559 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,0,1,0,0,0|2,0,0]=4 560 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,0,1,0,0,0|2,0,0]=4 561 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,0,1,0,0,0|2,0,0]=4 562 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,0,1,0,0,0|2,0,0]=4 563 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,0,1,0,0,0|2,0,0]=4 564 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,0,1,0,0,0|2,0,0]=4 565 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,0,1,0,0,0|2,0,0]=4 566 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,0,1,0,0,0|2,0,0]=4 567 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,0,1,0,0,0|2,0,0]=4 568 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,0,1,0,0,0|2,0,0]=4 569 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,0,1,0,0,0|2,0,0]=4 570 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,0,1,0,0,0|2,0,0]=4 571 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,0,1,0,0,0|2,0,0]=4 572 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,0,1,0,0,0|2,0,0]=4 573 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,0,1,0,0,0|1,0,0]=3 574 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,0,1,0,0,0|1,0,0]=3 575 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,0,1,0,0,0|1,0,0]=3 576 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [1,0,1,0,0,0|2,0,0]=4 577 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,0,1,0,0,0|0,0,2]=4 578 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,0,1,0,0,0|1,0,1]=4 579 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,0,1,0,0,0|1,0,1]=4 580 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,1,0,0,0|0,0,0]=2 581 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,1,0,0,0|0,0,0]=2 582 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,0,1,0,0,0|1,0,0]=3 583 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,0,1,0,0,0|1,0,0]=3 584 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,0,1,0,0,0|1,0,0]=3 585 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,0,1,0,0,0|1,0,0]=3 586 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,0,1,0,0,0|1,0,0]=3 587 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,0,1,0,0,0|1,0,0]=3 588 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,0,1,0,0,0|1,0,0]=3 589 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,0,1,0,0,0|1,0,0]=3 590 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,0,1,0,0,0|1,0,0]=3 591 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,0,1,0,0,0|1,0,0]=3 592 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,0,1,0,0,0|1,0,0]=3 593 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,0,1,0,0,0|1,0,0]=3 594 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,0,1,0,0,0|1,0,0]=3 595 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,1,0,0,0|1,0,0]=3 596 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,1,0,0,0|1,0,0]=3 597 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,1,0,0,0|1,0,0]=3 598 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,0,1,0,0,0|2,0,0]=4 599 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,0,1,0,0,0|1,0,0]=3 600 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,0,1,0,0,0|1,0,0]=3 601 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,0,1,0,0,0|2,0,0]=4 602 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,0,1,0,0,0|2,0,0]=4 603 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,0,1,0,0,0|2,0,0]=4 604 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,0,1,0,0,0|2,0,0]=4 605 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,0,1,0,0,0|2,0,0]=4 606 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,0,1,0,0,0|2,0,0]=4 607 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,0,1,0,0,0|1,0,1]=4 608 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,0,1,0,0,0|1,0,1]=4 609 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,0,1,0,0,0|1,0,1]=4 610 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,0,1,0,0,0|1,0,1]=4 611 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,0,1,0,0,0|1,0,1]=4 612 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,0,1,0,0,0|1,0,1]=4 613 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,0,1,0,0,0|2,0,0]=4 614 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,0,1,0,0,0|2,0,0]=4 615 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,0,1,0,0,0|1,0,1]=4 616 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,0,1,0,0,0|1,0,1]=4 617 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,0,1,0,0,0|1,0,0]=3 618 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,0,1,0,0,0|1,0,0]=3 619 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,0,1,0,0,0|1,0,0]=3 620 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,0,1,0,0,0|1,0,0]=3 621 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,0,1,0,0,0|2,0,0]=4 622 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,0,1,0,0,0|2,0,0]=4 623 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,0,1,0,0,0|2,0,0]=4 624 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,0,1,0,0,0|2,0,0]=4 625 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,0,1,0,0,0|2,0,0]=4 626 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,0,1,0,0,0|2,0,0]=4 627 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,0,1,0,0,0|2,0,0]=4 628 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,0,1,0,0,0|2,0,0]=4 629 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,0,1,0,0,0|2,0,0]=4 630 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,0,1,0,0,0|2,0,0]=4 631 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,0,1,0,0,0|2,0,0]=4 632 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,0,1,0,0,0|2,0,0]=4 633 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,0,1,0,0,0|2,0,0]=4 634 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,0,1,0,0,0|2,0,0]=4 635 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,0,1,0,0,0|2,0,0]=4 636 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,0,1,0,0,0|2,0,0]=4 637 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,0,1,0,0,0|2,0,0]=4 638 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,0,1,0,0,0|2,0,0]=4 639 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,0,1,0,0,0|2,0,0]=4 640 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,0,1,0,0,0|2,0,0]=4 641 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,0,1,0,0,0|2,0,0]=4 642 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,0,1,0,0,0|2,0,0]=4 643 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,0,1,0,0,0|2,0,0]=4 644 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,0,1,0,0,0|1,0,1]=4 645 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,0,1,0,0,0|1,0,1]=4 646 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,0,1,0,0,0|1,0,1]=4 647 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,0,1,0,0,0|1,0,1]=4 648 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,0,1,0,0,0|1,0,0]=3 649 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,0,1,0,0,0|1,0,0]=3 650 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,0,1,0,0,0|1,0,0]=3 651 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,0,1,0,0,0|1,0,0]=3 652 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,0,1,0,0,0|1,0,0]=3 653 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,0,1,0,0,0|1,0,0]=3 654 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,0,1,0,0,0|1,0,0]=3 655 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,0,1,0,0,0|1,0,0]=3 656 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,0,1,0,0,0|1,0,1]=4 657 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,0,1,0,0,0|1,0,1]=4 658 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,0,1,0,0,0|1,0,1]=4 659 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,0,1,0,0,0|1,0,1]=4 660 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,0,1,0,0,0|1,0,1]=4 661 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,0,1,0,0,0|1,0,1]=4 662 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,0,1,0,0,0|1,0,1]=4 663 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,0,1,0,0,0|1,0,1]=4 664 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,0,1,0,0,0|2,0,0]=4 665 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,0,1,0,0,0|2,0,0]=4 666 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,0,1,0,0,0|1,0,0]=3 667 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,0,1,0,0,0|2,0,0]=4 668 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,0,1,0,0,0|2,0,0]=4 669 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,0,1,0,0,0|2,0,0]=4 670 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,0,1,0,0,0|2,0,0]=4 671 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,0,1,0,0,0|2,0,0]=4 672 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,0,1,0,0,0|2,0,0]=4 673 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,0,1,0,0,0|2,0,0]=4 674 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,0,1,0,0,0|1,0,0]=3 675 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,0,1,0,0,0|1,0,0]=3 676 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,0,1,0,0,0|1,0,0]=3 677 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,0,1,0,0,0|2,0,0]=4 678 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,0,1,0,0,0|2,0,0]=4 679 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,0,1,0,0,0|2,0,0]=4 680 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,0,1,0,0,0|2,0,0]=4 681 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,0,1,0,0,0|2,0,0]=4 682 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,0,1,0,0,0|2,0,0]=4 683 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,0,1,0,0,0|2,0,0]=4 684 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,0,1,0,0,0|2,0,0]=4 685 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,0,1,0,0,0|2,0,0]=4 686 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,0,1,0,0,0|2,0,0]=4 687 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,0,1,0,0,0|2,0,0]=4 688 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,0,1,0,0,0|2,0,0]=4 689 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,0,1,0,0,0|2,0,0]=4 690 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,0,1,0,0,0|2,0,0]=4 691 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,0,1,0,0,0|2,0,0]=4 692 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,0,1,0,0,0|2,0,0]=4 693 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,0,1,0,0,0|2,0,0]=4 694 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,0,1,0,0,0|2,0,0]=4 695 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,0,1,0,0,0|2,0,0]=4 696 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,0,1,0,0,0|2,0,0]=4 697 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,0,1,0,0,0|2,0,0]=4 698 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,0,1,0,0,0|2,0,0]=4 699 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,0,1,0,0,0|2,0,0]=4 700 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,0,1,0,0,0|2,0,0]=4 701 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,0,1,0,0,0|2,0,0]=4 702 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,0,1,0,0,0|2,0,0]=4 703 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,1,0,0,0|2,0,0]=4 704 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,1,0,0,0|2,0,0]=4 705 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,1,0,0,0|2,0,0]=4 706 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,1,0,0,0|2,0,0]=4 707 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,1,0,0,0|2,0,0]=4 708 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,1,0,0,0|2,0,0]=4 709 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,1,0,0,0|2,0,0]=4 710 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,1,0,0,0|2,0,0]=4 711 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,1,0,0,0|2,0,0]=4 712 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,1,0,0,0|2,0,0]=4 713 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,0,1,0,0,0|2,0,0]=4 714 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,0,1,0,0,0|2,0,0]=4 715 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,0,1,0,0,0|2,0,0]=4 716 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,0,1,0,0,0|2,0,0]=4 717 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,0,1,0,0,0|2,0,0]=4 718 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,0,1,0,0,0|2,0,0]=4 719 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,0,1,0,0,0|2,0,0]=4 720 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,0,1,0,0,0|2,0,0]=4 721 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,0,1,0,0,0|2,0,0]=4 722 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,0,1,0,0,0|2,0,0]=4 723 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,0,1,0,0,0|2,0,0]=4 724 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,0,1,0,0,0|2,0,0]=4 725 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,0,1,0,0,0|2,0,0]=4 726 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,0,1,0,0,0|2,0,0]=4 727 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [1,0,1,0,0,0|2,0,0]=4 728 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [1,0,1,0,0,0|2,0,0]=4 729 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [1,0,1,0,0,0|2,0,0]=4 730 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [1,0,1,0,0,0|2,0,0]=4 731 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [1,0,1,0,0,0|2,0,0]=4 732 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,0,1,0,0,0|2,0,0]=4 733 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,0,1,0,0,0|2,0,0]=4 734 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,0,1,0,0,0|2,0,0]=4 735 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,0,1,0,0,0|2,0,0]=4 736 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,0,1,0,0,0|2,0,0]=4 737 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,0,1,0,0,0|2,0,0]=4 738 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,0,1,0,0,0|2,0,0]=4 739 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [1,0,1,0,0,0|2,0,0]=4 740 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [1,0,1,0,0,0|2,0,0]=4 741 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [1,0,1,0,0,0|2,0,0]=4 742 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [1,0,1,0,0,0|2,0,0]=4 743 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [1,0,1,0,0,0|2,0,0]=4 744 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [1,0,1,0,0,0|2,0,0]=4 745 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [1,0,1,0,0,0|2,0,0]=4 746 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,0,1,0,0,0|2,0,0]=4 747 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,0,1,0,0,0|2,0,0]=4 748 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,0,1,0,0,0|2,0,0]=4 749 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,0,1,0,0,0|2,0,0]=4 750 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,0,1,0,0,0|2,0,0]=4 751 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,0,1,0,0,0|2,0,0]=4 752 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,0,1,0,0,0|2,0,0]=4 753 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,0,1,0,0,0|2,0,0]=4 754 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,0,1,0,0,0|2,0,0]=4 755 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,0,1,0,0,0|2,0,0]=4 756 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [1,0,1,0,0,0|2,0,0]=4 757 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,1,0,0,0|2,0,0]=4 758 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,1,0,0,0|2,0,0]=4 759 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,1,0,0,0|2,0,0]=4 760 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,1,0,0,0|2,0,0]=4 761 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,1,0,0,0|2,0,0]=4 762 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,1,0,0,0|2,0,0]=4 763 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,1,0,0,0|2,0,0]=4 764 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,1,0,0,0|2,0,0]=4 765 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,1,0,0,0|2,0,0]=4 766 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,1,0,0,0|2,0,0]=4 767 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,1,0,0,0|1,0,1]=4 768 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,1,0,0,0|1,0,1]=4 769 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,1,0,0,0|1,0,1]=4 770 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,0,1,0,0,0|1,0,1]=4 771 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,1,0,0,0|0,0,1]=3 772 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,1,0,0,0|0,0,1]=3 773 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,1,0,0,0|0,0,1]=3 774 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,1,0,0,0|0,0,1]=3 775 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,0,1,0,0,0|1,0,1]=4 776 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,0,1,0,0,0|1,0,1]=4 777 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,0,1,0,0,0|1,0,1]=4 778 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,0,1,0,0,0|1,0,1]=4 779 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,0,1,0,0,0|1,0,1]=4 780 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,1,0,0,0|1,0,1]=4 781 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,1,0,0,0|1,0,1]=4 782 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,1,0,0,0|1,0,1]=4 783 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,1,0,0,0|1,0,1]=4 784 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,1,0,0,0|1,0,1]=4 785 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,1,0,0,0|1,0,1]=4 786 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,1,0,0,0|1,0,1]=4 787 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,1,0,0,0|1,0,1]=4 788 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,1,0,0,0|1,0,1]=4 789 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,1,0,0,0|1,0,1]=4 790 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,1,0,0,0|1,0,1]=4 791 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,1,0,0,0|1,0,1]=4 792 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,1,0,0,0|1,0,1]=4 793 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,1,0,0,0|0,1,1]=4 794 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,1,0,0,0|0,1,1]=4 795 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,0,1,0,0,0|1,0,1]=4 796 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,0,1,0,0,0|1,0,1]=4 797 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,0,1,0,0,0|1,0,1]=4 798 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,0,1,0,0,0|1,0,1]=4 799 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,0,1,0,0,0|1,0,1]=4 800 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,0,1,0,0,0|1,0,1]=4 801 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,0,1,0,0,0|1,0,1]=4 802 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,0,1,0,0,0|1,0,1]=4 803 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,0,1,0,0,0|1,0,1]=4 804 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,1,0,0,0|1,0,1]=4 805 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,1,0,0,0|1,0,1]=4 806 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,1,0,0,0|1,0,1]=4 807 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,1,0,0,0|1,0,1]=4 808 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,1,0,0,0|1,0,1]=4 809 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,1,0,0,0|1,0,1]=4 810 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,1,0,0,0|1,0,1]=4 811 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,1,0,0,0|1,0,1]=4 812 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,1,0,0,0|1,0,1]=4 813 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,1,0,0,0|1,0,1]=4 814 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,1,0,0,0|1,0,1]=4 815 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,1,0,0,0|1,0,1]=4 816 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,1,0,0,0|1,0,1]=4 817 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,1,0,0,0|1,0,1]=4 818 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,1,0,0,0|1,0,1]=4 819 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,1,0,0,0|1,0,1]=4 820 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,0,1,0,0,0|1,0,1]=4 821 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,0,1,0,0,0|1,0,1]=4 822 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,0,1,0,0,0|1,0,1]=4 823 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,0,1,0,0,0|1,0,1]=4 824 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,0,1,0,0,0|1,0,1]=4 825 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,0,1,0,0,0|1,0,1]=4 826 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,0,1,0,0,0|1,0,1]=4 827 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,0,1,0,0,0|1,0,1]=4 828 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,0,1,0,0,0|1,0,1]=4 829 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,0,1,0,0,0|1,0,1]=4 830 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,0,1,0,0,0|1,0,1]=4 831 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,0,1,0,0,0|1,0,1]=4 832 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,0,1,0,0,0|1,0,1]=4 833 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,0,1,0,0,0|1,0,1]=4 834 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,0,1,0,0,0|1,0,1]=4 835 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,0,1,0,0,0|1,0,1]=4 836 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,0,1,0,0,0|1,0,1]=4 837 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,0,1,0,0,0|2,0,0]=4 838 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,0,1,0,0,0|2,0,0]=4 839 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,0,1,0,0,0|2,0,0]=4 840 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,0,1,0,0,0|2,0,0]=4 841 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,0,1,0,0,0|2,0,0]=4 842 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,0,1,0,0,0|2,0,0]=4 843 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,0,1,0,0,0|2,0,0]=4 844 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,0,1,0,0,0|2,0,0]=4 845 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,0,1,0,0,0|2,0,0]=4 846 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,0,1,0,0,0|2,0,0]=4 847 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,0,1,0,0,0|2,0,0]=4 848 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,0,1,0,0,0|2,0,0]=4 849 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,0,1,0,0,0|2,0,0]=4 850 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [1,0,1,0,0,0|2,0,0]=4 851 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,0,1,0,0,0|1,0,1]=4 852 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,0,1,0,0,0|1,0,0]=3 853 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,0,1,0,0,0|1,0,0]=3 854 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,0,1,0,0,0|2,0,0]=4 855 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,0,1,0,0,0|2,0,0]=4 856 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,0,1,0,0,0|2,0,0]=4 857 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,0,1,0,0,0|2,0,0]=4 858 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,0,1,0,0,0|2,0,0]=4 859 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,0,1,0,0,0|2,0,0]=4 860 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,0,1,0,0,0|1,0,0]=3 861 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,0,1,0,0,0|1,0,0]=3 862 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,0,1,0,0,0|1,0,0]=3 863 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,0,1,0,0,0|1,0,0]=3 864 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,0,1,0,0,0|2,0,0]=4 865 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,0,1,0,0,0|2,0,0]=4 866 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,0,1,0,0,0|2,0,0]=4 867 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,0,1,0,0,0|2,0,0]=4 868 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,0,1,0,0,0|2,0,0]=4 869 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,0,1,0,0,0|2,0,0]=4 870 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,0,1,0,0,0|2,0,0]=4 871 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,0,1,0,0,0|2,0,0]=4 872 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,0,1,0,0,0|1,0,1]=4 873 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,0,1,0,0,0|1,0,1]=4 874 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,0,1,0,0,0|1,0,1]=4 875 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,0,1,0,0,0|2,0,0]=4 876 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,0,1,0,0,0|2,0,0]=4 877 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,0,1,0,0,0|2,0,0]=4 878 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,0,1,0,0,0|2,0,0]=4 879 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,0,1,0,0,0|2,0,0]=4 880 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,0,1,0,0,0|2,0,0]=4 881 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,0,1,0,0,0|2,0,0]=4 882 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,0,1,0,0,0|2,0,0]=4 883 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,0,1,0,0,0|2,0,0]=4 884 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,0,1,0,0,0|2,0,0]=4 885 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [1,0,1,0,0,0|2,0,0]=4 886 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,0,1,0,0,0|2,0,0]=4 887 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,0,1,0,0,0|2,0,0]=4 888 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,0,1,0,0,0|2,0,0]=4 889 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,0,1,0,0,0|2,0,0]=4 890 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,0,1,0,0,0|2,0,0]=4 891 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,0,1,0,0,0|2,0,0]=4 892 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,0,1,0,0,0|2,0,0]=4 893 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,0,1,0,0,0|2,0,0]=4 894 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,0,1,0,0,0|1,0,0]=3 895 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,0,1,0,0,0|2,0,0]=4 896 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [1,0,1,0,0,0|2,0,0]=4 897 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,0,1,0,0,0|2,0,0]=4 898 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,0,1,0,0,0|2,0,0]=4 899 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,0,1,0,0,0|2,0,0]=4 900 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,0,1,0,0,0|2,0,0]=4 901 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [1,0,1,0,0,0|2,0,0]=4 902 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [1,0,1,0,0,0|2,0,0]=4 903 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,1,0,0,0|2,0,0]=4 904 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,1,0,0,0|2,0,0]=4 905 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,1,0,0,0|2,0,0]=4 906 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,1,0,0,0|1,0,0]=3 907 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,1,0,0,0|1,0,0]=3 908 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,1,0,0,0|1,0,0]=3 909 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,1,0,0,0|2,0,0]=4 910 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,1,0,0,0|2,0,0]=4 911 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,1,0,0,0|2,0,0]=4 912 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,1,0,0,0|2,0,0]=4 913 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,1,0,0,0|2,0,0]=4 914 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,1,0,0,0|2,0,0]=4 915 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,1,0,0,0|1,0,0]=3 916 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,1,0,0,0|2,0,0]=4 917 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,1,0,0,0|2,0,0]=4 918 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,1,0,0,0|2,0,0]=4 919 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,1,0,0,0|1,0,1]=4 920 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,1,0,0,0|2,0,0]=4 921 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,1,0,0,0|2,0,0]=4 922 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,1,0,0,0|1,0,1]=4 923 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,1,0,0,0|1,0,1]=4 924 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,1,0,0,0|2,0,0]=4 925 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,0,1,0,0,0|2,0,0]=4 926 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,0,1,0,0,0|2,0,0]=4 927 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,0,1,0,0,0|2,0,0]=4 928 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,1,0,0,0|2,0,0]=4 929 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,1,0,0,0|2,0,0]=4 930 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,1,0,0,0|2,0,0]=4 931 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,1,0,0,0|2,0,0]=4 932 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,0,1,0,0,0|2,0,0]=4 933 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,0,1,0,0,0|2,0,0]=4 934 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,0,1,0,0,0|2,0,0]=4 935 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,0,1,0,0,0|2,0,0]=4 936 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,1,0,0,0|2,0,0]=4 937 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,1,0,0,0|2,0,0]=4 938 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,1,0,0,0|2,0,0]=4 939 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,1,0,0,0|2,0,0]=4 940 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,0,1,0,0,0|2,0,0]=4 941 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,1,0,0,0|2,0,0]=4 942 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,1,0,0,0|2,0,0]=4 943 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,1,0,0,0|2,0,0]=4 944 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,1,0,0,0|2,0,0]=4 945 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,1,0,0,0|2,0,0]=4 946 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,1,0,0,0|2,0,0]=4 947 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,1,0,0,0|2,0,0]=4 948 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,1,0,0,0|2,0,0]=4 949 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,1,0,0,0|2,0,0]=4 950 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,0,1,0,0,0|2,0,0]=4 951 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,1,0,0,0|2,0,0]=4 952 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,0,1,0,0,0|2,0,0]=4 953 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,0,1,0,0,0|2,0,0]=4 954 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,0,1,0,0,0|2,0,0]=4 955 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,1,0,0,0|2,0,0]=4 956 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,1,0,0,0|2,0,0]=4 957 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,0,1,0,0,0|2,0,0]=4 958 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,1,0,0,0|2,0,0]=4 959 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,1,0,0,0|2,0,0]=4 960 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,1,0,0,0|2,0,0]=4 961 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,1,0,0,0|2,0,0]=4 962 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,1,0,0,0|2,0,0]=4 963 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,1,0,0,0|2,0,0]=4 964 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,1,0,0,0|2,0,0]=4 965 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,1,0,0,0|2,0,0]=4 966 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,1,0,0,0|1,0,1]=4 967 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,0,1,0,0,0|2,0,0]=4 968 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,1,0,0,0|2,0,0]=4 969 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,1,0,0,0|2,0,0]=4 970 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,0,1,0,0,0|2,0,0]=4 971 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,1,0,0,0|2,0,0]=4 972 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,1,0,0,0|2,0,0]=4 973 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,1,0,0,0|2,0,0]=4 974 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,1,0,0,0|2,0,0]=4 975 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,1,0,0,0|1,0,1]=4 976 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,1,0,0,0|2,0,0]=4 977 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,1,0,0,0|2,0,0]=4 978 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [1,0,1,0,0,0|2,0,0]=4 979 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [1,0,1,0,0,0|2,0,0]=4 980 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [1,0,1,0,0,0|2,0,0]=4 981 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [1,0,1,0,0,0|2,0,0]=4 982 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,0,1,0,0,0|1,0,0]=3 983 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,0,1,0,0,0|1,0,0]=3 984 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,0,1,0,0,0|1,0,0]=3 985 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,0,1,0,0,0|1,0,0]=3 986 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [1,0,1,0,0,0|1,0,1]=4 987 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [1,0,1,0,0,0|1,0,1]=4 988 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [1,0,1,0,0,0|1,0,1]=4 989 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [1,0,1,0,0,0|2,0,0]=4 990 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [1,0,1,0,0,0|2,0,0]=4 991 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [1,0,1,0,0,0|2,0,0]=4 992 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [1,0,1,0,0,0|1,0,0]=3 993 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [1,0,1,0,0,0|1,0,1]=4 994 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [1,0,1,0,0,0|1,0,0]=3 995 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [1,0,1,0,0,0|1,0,0]=3 996 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [1,0,1,0,0,0|2,0,0]=4 997 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [1,0,1,0,0,0|2,0,0]=4 998 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [1,0,1,0,0,0|2,0,0]=4 999 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [1,0,1,0,0,0|2,0,0]=4 1000 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [1,0,1,0,0,0|2,0,0]=4 1001 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [1,0,1,0,0,0|2,0,0]=4 1002 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [1,0,1,0,0,0|2,0,0]=4 1003 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [1,0,1,0,0,0|2,0,0]=4 1004 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [1,0,1,0,0,0|2,0,0]=4 1005 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [1,0,1,0,0,0|2,0,0]=4 1006 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [1,0,1,0,0,0|2,0,0]=4 1007 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [1,0,1,0,0,0|2,0,0]=4 1008 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [1,0,1,0,0,0|2,0,0]=4 1009 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [1,0,1,0,0,0|2,0,0]=4 1010 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [1,0,1,0,0,0|2,0,0]=4 1011 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [1,0,1,0,0,0|2,0,0]=4 1012 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [1,0,1,0,0,0|2,0,0]=4 1013 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [1,0,1,0,0,0|2,0,0]=4 1014 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [1,0,1,0,0,0|2,0,0]=4 1015 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [1,0,1,0,0,0|1,0,0]=3 1016 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [1,0,1,0,0,0|1,0,0]=3 1017 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [1,0,1,0,0,0|1,0,0]=3 1018 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [1,0,1,0,0,0|1,0,0]=3 1019 B9R0.14 CCCC(CC)OC(C)C 34a_100000687864_100000210206 [1,0,1,0,0,0|1,0,1]=4 1020 B9R0.14 CCCC(CC)OC(C)C 7a_100000687864_100000210206 [1,0,1,0,0,0|1,0,1]=4 1021 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [1,0,1,0,0,0|2,0,0]=4 1022 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [1,0,1,0,0,0|2,0,0]=4 1023 B9R0.40 CCCCC(CC)CNC 2230a_100000209976_200000210301 [1,0,1,0,0,0|2,0,0]=4 1024 B9R0.40 CCCCC(CC)CNC 2230a_106832991635_100000211942 [1,0,1,0,0,0|2,0,0]=4 1025 B9R0.40 CCCCC(CC)CNC 269862a_106832991636_100011219736 [1,0,1,0,0,0|2,0,0]=4 1026 B9R0.40 CCCCC(CC)CNC 270004a_106832991635_100011219736 [1,0,1,0,0,0|2,0,0]=4 1027 B9R0.40 CCCCC(CC)CNC 34a_100102657272_100000211942 [1,0,1,0,0,0|2,0,0]=4 1028 B9R0.40 CCCCC(CC)CNC 7a_106832991635_100000211942 [1,0,1,0,0,0|2,0,0]=4 1029 B9R0.40 CCCCC(CC)CN[13CH3] 2230a_100000209976_200025704644 [1,0,1,0,0,0|2,0,0]=4 1030 B9R0.40 CCCCC(CC)COC 34a_100000210273_200000210301 [1,0,1,0,0,0|2,0,0]=4 1031 B9R0.40 CCCCC(CC)COC 34a_100138415774_100000211942 [1,0,1,0,0,0|2,0,0]=4 1032 B9R0.40 CCCCC(CC)COC 7a_100000210273_200000210301 [1,0,1,0,0,0|2,0,0]=4 1033 B9R0.40 CCCCC(CC)CO[13CH3] 34a_100000210273_200025704644 [1,0,1,0,0,0|2,0,0]=4 1034 B9R0.40 CCCCC(CC)CO[13CH3] 7a_100000210273_200025704644 [1,0,1,0,0,0|2,0,0]=4 1035 B9R0.40 CCCCC(CC)CSC 62a_100000211942_200000210301 [1,0,1,0,0,0|2,0,0]=4 1036 B9R0.40 CCCCC(CC)CSC 62a_200000210301_100000211942 [1,0,1,0,0,0|2,0,0]=4 1037 B9R0.40 CCCCC(CC)CS[13CH3] 62a_100000211942_200025704644 [1,0,1,0,0,0|2,0,0]=4 1038 B9R0.40 CCCCC(CC)CS[13CH3] 62a_200025704644_100000211942 [1,0,1,0,0,0|2,0,0]=4 1039 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [1,0,1,0,0,0|1,0,1]=4 1040 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [1,0,1,0,0,0|0,0,1]=3 1041 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [1,0,1,0,0,0|0,0,1]=3 1042 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [1,0,1,0,0,0|0,0,1]=3 1043 B9R0.40 CCCCC(CC)OCF 34a_100011215227_100015361967 [1,0,1,0,0,0|1,0,1]=4 1044 B9R0.40 CCCCC(CC)OCF 7a_100011215227_100015361967 [1,0,1,0,0,0|1,0,1]=4 1045 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [1,0,1,0,0,0|0,1,1]=4 1046 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [1,0,1,0,0,0|0,1,1]=4 1047 B9R0.40 CCCCN(CC)CC=O 2230a_100000207695_200015260668 [1,0,1,0,0,0|2,0,0]=4 1048 B9R0.40 CCCCN(CC)CC=O 269982a_100000207695_200015260668 [1,0,1,0,0,0|2,0,0]=4 1049 B9R0.40 CCNCC(CC)OCC 2230a_100015183923_100000210202 [1,0,1,0,0,0|1,0,1]=4 1050 B9R0.40 CCNCC(CC)OCC 34a_100015183923_100000210202 [1,0,1,0,0,0|1,0,1]=4 1051 B9R0.13 C=CC(OCCC)C(C)C 34a_100000732651_100000210303 [1,0,1,0,0,0|2,0,0]=4 1052 B9R0.13 C=CC(OCCC)C(C)C 7a_100000732651_100000210303 [1,0,1,0,0,0|2,0,0]=4 1053 B9R0.13 CCCCC(NC)C(C)C 270004a_106832991635_200011215219 [1,0,1,0,0,0|1,0,1]=4 1054 B9R0.15 CCCC(OCC)C(C)C 34a_200011215069_100000210202 [1,0,1,0,0,0|1,0,1]=4 1055 B9R0.15 CCCC(OCC)C(C)C 7a_200011215069_100000210202 [1,0,1,0,0,0|1,0,1]=4 1056 B9R0.15 CCCC(OCF)C(C)C 34a_200011215069_100015361967 [1,0,1,0,0,0|1,0,1]=4 1057 B9R0.15 CCCC(OCF)C(C)C 7a_200011215069_100015361967 [1,0,1,0,0,0|1,0,1]=4 1058 B9R0.15 CCCN(CC=O)C(C)C 2230a_106256033942_200015260668 [1,0,1,0,0,0|2,0,0]=4 1059 B9R0.15 CCCN(CC=O)C(C)C 269982a_106256033942_200015260668 [1,0,1,0,0,0|2,0,0]=4 1060 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [2,0,0,0,0,0|2,0,0]=4 1061 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [2,0,0,0,0,0|2,0,0]=4 1062 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [2,0,0,0,0,0|2,0,0]=4 1063 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [2,0,0,0,0,0|2,0,0]=4 1064 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [2,0,0,0,0,0|2,0,0]=4 1065 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [2,0,0,0,0,0|2,0,0]=4 1066 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [2,0,0,0,0,0|2,0,0]=4 1067 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [2,0,0,0,0,0|2,0,0]=4 1068 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [2,0,0,0,0,0|2,0,0]=4 1069 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [2,0,0,0,0,0|2,0,0]=4 1070 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [2,0,0,0,0,0|2,0,0]=4 1071 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [2,0,0,0,0,0|2,0,0]=4 1072 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [2,0,0,0,0,0|2,0,0]=4 1073 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [2,0,0,0,0,0|2,0,0]=4 1074 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [2,0,0,0,0,0|2,0,0]=4 1075 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [2,0,0,0,0,0|2,0,0]=4 1076 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [2,0,0,0,0,0|2,0,0]=4 1077 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [2,0,0,0,0,0|2,0,0]=4 1078 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [2,0,0,0,0,0|2,0,0]=4 1079 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [2,0,0,0,0,0|2,0,0]=4 1080 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [2,0,0,0,0,0|2,0,0]=4 1081 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [2,0,0,0,0,0|2,0,0]=4 1082 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [2,0,0,0,0,0|2,0,0]=4 1083 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [2,0,0,0,0,0|2,0,0]=4 1084 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [2,0,0,0,0,0|2,0,0]=4 1085 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [2,0,0,0,0,0|2,0,0]=4 1086 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [2,0,0,0,0,0|2,0,0]=4 1087 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [2,0,0,0,0,0|2,0,0]=4 1088 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [2,0,0,0,0,0|2,0,0]=4 1089 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [2,0,0,0,0,0|2,0,0]=4 1090 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [2,0,0,0,0,0|2,0,0]=4 1091 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [2,0,0,0,0,0|1,0,1]=4 1092 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [2,0,0,0,0,0|1,0,1]=4 1093 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [2,0,0,0,0,0|1,0,1]=4 1094 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [2,0,0,0,0,0|1,0,1]=4 1095 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [2,0,0,0,0,0|1,0,1]=4 1096 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [2,0,0,0,0,0|1,0,1]=4 1097 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [2,0,0,0,0,0|1,0,1]=4 1098 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [2,0,0,0,0,0|1,0,1]=4 1099 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,1,1,0,0,0|1,0,1]=4 1100 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [0,1,1,0,0,0|2,0,0]=4 1101 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [0,1,1,0,0,0|2,0,0]=4 1102 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [0,1,1,0,0,0|2,0,0]=4 1103 B11R0.2 CC(C)CC(=O)NCCCCO 240690a_100000750430_100000210554 [0,1,1,0,0,0|2,0,0]=4 1104 B11R0.2 CC(C)CC(=O)NCCCCO 527a_100000750430_100000210554 [0,1,1,0,0,0|2,0,0]=4 1105 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,1,1,0,0,0|2,0,0]=4 1106 B11R0.2 CCCCC=CC(=O)CC(C)C 1458a_100016266645_100000210624 [0,1,1,0,0,0|1,0,1]=4 1107 B11R0.2 CCCCC=CC(=O)CC(C)O 1458a_100016266645_100011218427 [0,1,1,0,0,0|1,0,1]=4 1108 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,1,1,0,0,0|1,0,0]=3 1109 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,1,1,0,0,0|1,0,0]=3 1110 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,1,1,0,0,0|1,0,0]=3 1111 B11R0.2 CCCCCCC(=O)CC(F)F 1458a_100102632555_100011934356 [0,1,1,0,0,0|2,0,0]=4 1112 B11R0.2 CCCCCCC(=O)CN(C)C 1458a_100000750896_100000210757 [0,1,1,0,0,0|2,0,0]=4 1113 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,1,1,0,0,0|1,0,0]=3 1114 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [0,1,1,0,0,0|2,0,0]=4 1115 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [0,1,1,0,0,0|2,0,0]=4 1116 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [0,1,1,0,0,0|2,0,0]=4 1117 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [0,1,1,0,0,0|2,0,0]=4 1118 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [0,1,1,0,0,0|2,0,0]=4 1119 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,1,1,0,0,0|1,0,1]=4 1120 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [0,1,1,0,0,0|1,0,0]=3 1121 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [0,1,1,0,0,0|1,0,0]=3 1122 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [0,1,1,0,0,0|1,0,0]=3 1123 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [0,1,1,0,0,0|1,0,0]=3 1124 B11R0.2 CCCCCNC(=O)CN(C)C 11a_100000209983_100000750896 [0,1,1,0,0,0|2,0,0]=4 1125 B11R0.2 CCCCCNC(=O)CN(C)C 2230a_100102631434_100000230301 [0,1,1,0,0,0|2,0,0]=4 1126 B11R0.2 CCCCCNC(=O)CN(C)C 240690a_100000209983_100000750896 [0,1,1,0,0,0|2,0,0]=4 1127 B11R0.2 CCCCCNC(=O)CN(C)C 269982a_100102631434_100000230301 [0,1,1,0,0,0|2,0,0]=4 1128 B11R0.2 CCCCCNC(=O)CN(C)C 527a_100000209983_100000750896 [0,1,1,0,0,0|2,0,0]=4 1129 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [0,1,1,0,0,0|1,0,0]=3 1130 B11R0.2 CCCCCNC(=O)C[S+](C)C 11a_100000209983_200159257847 [0,1,1,0,0,0|2,0,0]=4 1131 B11R0.2 CCCCCNC(=O)C[S+](C)C 1626a_100000209983_200159257847 [0,1,1,0,0,0|2,0,0]=4 1132 B11R0.2 CCCCCNC(=O)C[S+](C)C 240690a_100000209983_200159257847 [0,1,1,0,0,0|2,0,0]=4 1133 B11R0.2 CCCCCNC(=O)C[S+](C)C 527a_100000209983_200159257847 [0,1,1,0,0,0|2,0,0]=4 1134 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100000209983_100138425928 [0,1,1,0,0,0|2,0,0]=4 1135 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100138425928_100000209983 [0,1,1,0,0,0|2,0,0]=4 1136 B11R0.2 CCCCCNC(=O)NC(C)C 273464a_100138425928_100000209983 [0,1,1,0,0,0|2,0,0]=4 1137 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100000209983_100138425928 [0,1,1,0,0,0|2,0,0]=4 1138 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100138425928_100000209983 [0,1,1,0,0,0|2,0,0]=4 1139 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000210253_100000731052 [0,1,1,0,0,0|1,0,1]=4 1140 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000211805_100000718602 [0,1,1,0,0,0|1,0,1]=4 1141 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000210253_100000731052 [0,1,1,0,0,0|1,0,1]=4 1142 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000211805_100000210326 [0,1,1,0,0,0|1,0,1]=4 1143 B11R0.2 CCCCNNC(=O)CC(C)C 22a_100025702795_100000210554 [0,1,1,0,0,0|2,0,0]=4 1144 B11R0.2 CCCCNNC(=O)C[C@@H](C)O 22a_100025702795_100011933948 [0,1,1,0,0,0|2,0,0]=4 1145 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [0,1,1,0,0,0|2,0,0]=4 1146 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [0,1,1,0,0,0|2,0,0]=4 1147 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [0,1,1,0,0,0|2,0,0]=4 1148 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [0,1,1,0,0,0|2,0,0]=4 1149 B11R0.2 CCCCSCC(=O)CC(C)C 1458a_100000191162_100000210624 [0,1,1,0,0,0|2,0,0]=4 1150 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [0,1,1,0,0,0|2,0,0]=4 1151 B11R0.2 CCCOCCC(=O)CC(C)C 1458a_100000210554_100011215938 [0,1,1,0,0,0|2,0,0]=4 1152 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [0,1,1,0,0,0|2,0,0]=4 1153 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000003507_100000210303 [0,1,1,0,0,0|2,0,0]=4 1154 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000210303_100000003507 [0,1,1,0,0,0|2,0,0]=4 1155 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [0,1,1,0,0,0|2,0,0]=4 1156 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [0,1,1,0,0,0|2,0,0]=4 1157 B11R0.2 CCOCCNC(=O)CC(C)C 11a_100011200944_100000210554 [0,1,1,0,0,0|2,0,0]=4 1158 B11R0.2 CCOCCNC(=O)CC(C)C 1626a_102516460346_100000210554 [0,1,1,0,0,0|2,0,0]=4 1159 B11R0.2 CCOCCNC(=O)CC(C)C 240690a_100011200944_100000210554 [0,1,1,0,0,0|2,0,0]=4 1160 B11R0.2 CCOCCNC(=O)CC(C)C 527a_100011200944_100000210554 [0,1,1,0,0,0|2,0,0]=4 1161 B11R0.2 CCOCCNC(=O)C[C@@H](C)O 240690a_100011200944_100011933948 [0,1,1,0,0,0|2,0,0]=4 1162 B11R0.2 CCOCCOC(=O)CC(=O)C 1458a_100000070787_200000101388 [0,1,1,0,0,0|1,0,1]=4 1163 B11R0.2 CCOCCOC(=O)CC(=O)C 34a_100121572206_100000102702 [0,1,1,0,0,0|1,0,1]=4 1164 B11R0.2 CCOCCOC(=O)CN(C)C 2230a_100102631434_200000101388 [0,1,1,0,0,0|2,0,0]=4 1165 B11R0.2 CCOCCOC(=O)CN(C)C 269982a_100102631434_200000101388 [0,1,1,0,0,0|2,0,0]=4 1166 B11R0.2 CCSCCNC(=O)CC(C)C 11a_100000106463_100000210554 [0,1,1,0,0,0|2,0,0]=4 1167 B11R0.2 CCSCCNC(=O)CC(C)C 1626a_100000106463_100000210554 [0,1,1,0,0,0|2,0,0]=4 1168 B11R0.2 CCSCCNC(=O)CC(C)C 240690a_100000106463_100000210554 [0,1,1,0,0,0|2,0,0]=4 1169 B11R0.2 CCSCCNC(=O)CC(C)C 527a_100000106463_100000210554 [0,1,1,0,0,0|2,0,0]=4 1170 B11R0.2 CCSCCNC(=O)C[C@@H](C)O 240690a_100000106463_100011933948 [0,1,1,0,0,0|2,0,0]=4 1171 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000102702_100000210202 [0,1,1,0,0,0|1,0,1]=4 1172 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000210202_100000102702 [0,1,1,0,0,0|1,0,1]=4 1173 B11R0.2 COCCCCC(=O)CC(C)C 1458a_100000210554_100000755781 [0,1,1,0,0,0|2,0,0]=4 1174 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [0,1,1,0,0,0|2,0,0]=4 1175 B11R0.2 COCCCNC(=O)CC(C)C 1626a_100150723488_100000210554 [0,1,1,0,0,0|2,0,0]=4 1176 B11R0.2 COCCCNC(=O)CC(C)C 240690a_100150723488_100000210554 [0,1,1,0,0,0|2,0,0]=4 1177 B11R0.2 COCCCNC(=O)CC(C)C 527a_100150723488_100000210554 [0,1,1,0,0,0|2,0,0]=4 1178 B11R0.2 COCCCNC(=O)C[C@@H](C)O 240690a_100150723488_100011933948 [0,1,1,0,0,0|2,0,0]=4 1179 B11R0.2 CSCCCNC(=O)CC(C)C 11a_100000749238_100000210554 [0,1,1,0,0,0|2,0,0]=4 1180 B11R0.2 CSCCCNC(=O)CC(C)C 1626a_100000749238_100000210554 [0,1,1,0,0,0|2,0,0]=4 1181 B11R0.2 CSCCCNC(=O)CC(C)C 240690a_100000749238_100000210554 [0,1,1,0,0,0|2,0,0]=4 1182 B11R0.2 CSCCCNC(=O)CC(C)C 527a_100000749238_100000210554 [0,1,1,0,0,0|2,0,0]=4 1183 B11R0.2 CSCCCNC(=O)C[C@@H](C)O 240690a_100000749238_100011933948 [0,1,1,0,0,0|2,0,0]=4 1184 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [0,1,1,0,0,0|2,0,0]=4 1185 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,1,1,0,0,0|2,0,0]=4 1186 B11R0.2 C[C@@H](O)CC(=O)NCCCCO 240690a_100000750430_100011933948 [0,1,1,0,0,0|2,0,0]=4 1187 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,1,1,0,0,0|1,0,1]=4 1188 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,1,1,0,0,0|1,0,1]=4 1189 B11R0.4 C#CCCCCNC(=O)CCC 11a_100000706060_100000211992 [0,1,1,0,0,0|1,0,1]=4 1190 B11R0.4 C#CCCCCNC(=O)CCC 1626a_100000706060_100000211992 [0,1,1,0,0,0|1,0,1]=4 1191 B11R0.4 C#CCCCCNC(=O)CCC 240690a_100000706060_100000211992 [0,1,1,0,0,0|1,0,1]=4 1192 B11R0.4 C#CCCCCNC(=O)CCC 527a_100000706060_100000211992 [0,1,1,0,0,0|1,0,1]=4 1193 B11R0.4 C#CCCCOCC(=O)CCC 7a_100000215630_100000747444 [0,1,1,0,0,0|0,0,2]=4 1194 B11R0.4 C#CCCNCOC(=O)CCC 34a_100000755551_100000034017 [0,1,1,0,0,0|0,0,2]=4 1195 B11R0.4 C#CCCOCOC(=O)CCC 34a_100011215631_100000034017 [0,1,1,0,0,0|0,0,2]=4 1196 B11R0.4 C#CCCSCOC(=O)CCC 62a_100000688953_100000034017 [0,1,1,0,0,0|0,0,2]=4 1197 B11R0.4 C/C=C/COCOC(=O)CCC 34a_100016270725_100000034017 [0,1,1,0,0,0|0,0,2]=4 1198 B11R0.4 C/C=C/CSCOC(=O)CCC 62a_100102629194_100000034017 [0,1,1,0,0,0|0,0,2]=4 1199 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,1,1,0,0,0|1,0,1]=4 1200 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,1,1,0,0,0|1,0,1]=4 1201 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,1,1,0,0,0|1,0,1]=4 1202 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,1,1,0,0,0|1,0,1]=4 1203 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,1,1,0,0,0|1,0,1]=4 1204 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,1,1,0,0,0|1,0,1]=4 1205 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,1,1,0,0,0|0,0,2]=4 1206 B11R0.4 C=CCCNCOC(=O)CCC 2230a_100015191253_100000034017 [0,1,1,0,0,0|0,0,2]=4 1207 B11R0.4 C=CCCOCOC(=O)CCC 34a_100011205117_100000034017 [0,1,1,0,0,0|0,0,2]=4 1208 B11R0.4 C=CCCSCOC(=O)CCC 62a_100000754431_100000034017 [0,1,1,0,0,0|0,0,2]=4 1209 B11R0.4 CC#CCNCOC(=O)CCC 2230a_100000685387_100000034017 [0,1,1,0,0,0|0,0,2]=4 1210 B11R0.4 CC#CCNCOC(=O)CCC 34a_100000685387_100000034017 [0,1,1,0,0,0|0,0,2]=4 1211 B11R0.4 CC#CCOCOC(=O)CCC 34a_100000761923_100000034017 [0,1,1,0,0,0|0,0,2]=4 1212 B11R0.4 CC#CCSCOC(=O)CCC 62a_100000748600_100000034017 [0,1,1,0,0,0|0,0,2]=4 1213 B11R0.4 CC=CCSCOC(=O)CCC 62a_100000070051_100000034017 [0,1,1,0,0,0|0,0,2]=4 1214 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,1,1,0,0,0|1,0,1]=4 1215 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,1,1,0,0,0|1,0,0]=3 1216 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,1,1,0,0,0|1,0,0]=3 1217 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,1,1,0,0,0|1,0,0]=3 1218 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,1,1,0,0,0|1,0,0]=3 1219 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,1,1,0,0,0|2,0,0]=4 1220 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,1,1,0,0,0|2,0,0]=4 1221 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,1,1,0,0,0|2,0,0]=4 1222 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [0,1,1,0,0,0|2,0,0]=4 1223 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,1,1,0,0,0|2,0,0]=4 1224 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,1,1,0,0,0|2,0,0]=4 1225 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,1,1,0,0,0|1,0,0]=3 1226 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,1,1,0,0,0|1,0,0]=3 1227 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [0,1,1,0,0,0|1,0,0]=3 1228 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,1,1,0,0,0|1,0,0]=3 1229 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,1,1,0,0,0|1,0,0]=3 1230 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,1,1,0,0,0|1,1,0]=4 1231 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,1,1,0,0,0|1,1,0]=4 1232 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,1,1,0,0,0|1,1,0]=4 1233 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,1,1,0,0,0|1,1,0]=4 1234 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,1,1,0,0,0|1,1,0]=4 1235 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,1,1,0,0,0|1,1,0]=4 1236 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,1,1,0,0,0|1,1,0]=4 1237 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,1,1,0,0,0|1,1,0]=4 1238 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,1,1,0,0,0|1,1,0]=4 1239 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,1,1,0,0,0|1,1,0]=4 1240 B11R0.4 CCCC(=O)NCCCCC#N 11a_100000751965_100000211992 [0,1,1,0,0,0|1,0,1]=4 1241 B11R0.4 CCCC(=O)NCCCCC#N 1626a_100000751965_100000211992 [0,1,1,0,0,0|1,0,1]=4 1242 B11R0.4 CCCC(=O)NCCCCC#N 240690a_100000751965_100000211992 [0,1,1,0,0,0|1,0,1]=4 1243 B11R0.4 CCCC(=O)NCCCCC#N 527a_100000751965_100000211992 [0,1,1,0,0,0|1,0,1]=4 1244 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,1,1,0,0,0|1,0,0]=3 1245 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,1,1,0,0,0|1,0,0]=3 1246 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,1,1,0,0,0|1,0,0]=3 1247 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,1,1,0,0,0|1,0,0]=3 1248 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,1,1,0,0,0|1,0,0]=3 1249 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,1,1,0,0,0|2,0,0]=4 1250 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,1,1,0,0,0|2,0,0]=4 1251 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,1,1,0,0,0|2,0,0]=4 1252 B11R0.4 CCCC(=O)NNCCCOC 22a_100025702787_100000211992 [0,1,1,0,0,0|2,0,0]=4 1253 B11R0.4 CCCC(=O)NNCCOCC 22a_100000732670_100000211992 [0,1,1,0,0,0|2,0,0]=4 1254 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [0,1,1,0,0,0|1,0,0]=3 1255 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [0,1,1,0,0,0|1,0,0]=3 1256 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [0,1,1,0,0,0|1,0,0]=3 1257 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [0,1,1,0,0,0|1,0,0]=3 1258 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [0,1,1,0,0,0|1,0,0]=3 1259 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [0,1,1,0,0,0|1,0,0]=3 1260 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [0,1,1,0,0,0|1,0,0]=3 1261 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [0,1,1,0,0,0|1,0,0]=3 1262 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [0,1,1,0,0,0|1,0,0]=3 1263 B11R0.4 CCCC(=O)OCOCCON 34a_100000700252_100000034017 [0,1,1,0,0,0|2,0,0]=4 1264 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [0,1,1,0,0,0|1,0,0]=3 1265 B11R0.4 CCCC(=O)OCSCCC#N 62a_100011215226_100000034017 [0,1,1,0,0,0|1,0,1]=4 1266 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [0,1,1,0,0,0|1,0,0]=3 1267 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,1,1,0,0,0|1,0,0]=3 1268 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [0,1,1,0,0,0|1,0,0]=3 1269 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [0,1,1,0,0,0|1,0,0]=3 1270 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [0,1,1,0,0,0|1,0,0]=3 1271 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [0,1,1,0,0,0|1,0,1]=4 1272 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [0,1,1,0,0,0|1,0,1]=4 1273 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [0,1,1,0,0,0|1,0,1]=4 1274 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [0,1,1,0,0,0|1,0,1]=4 1275 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [0,1,1,0,0,0|1,0,1]=4 1276 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [0,1,1,0,0,0|1,0,1]=4 1277 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [0,1,1,0,0,0|1,0,1]=4 1278 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [0,1,1,0,0,0|1,0,1]=4 1279 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [0,1,1,0,0,0|1,0,1]=4 1280 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,1,1,0,0,0|1,0,1]=4 1281 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,1,1,0,0,0|1,0,1]=4 1282 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [0,1,1,0,0,0|1,0,1]=4 1283 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [0,1,1,0,0,0|1,0,1]=4 1284 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [0,1,1,0,0,0|1,0,1]=4 1285 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [0,1,1,0,0,0|1,0,1]=4 1286 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [0,1,1,0,0,0|1,0,1]=4 1287 B11R0.4 CCCC(C)OCCCOCC 34a_100000757476_100000766640 [0,1,1,0,0,0|1,0,1]=4 1288 B11R0.4 CCCC(C)OCCCOCC 34a_100000764384_100012232248 [0,1,1,0,0,0|1,0,1]=4 1289 B11R0.4 CCCC(C)OCCCOCC 7a_100000757476_100000766640 [0,1,1,0,0,0|1,0,1]=4 1290 B11R0.4 CCCC(C)OCCCOCC 7a_100000764384_100012232248 [0,1,1,0,0,0|1,0,1]=4 1291 B11R0.4 CCCC(C)OCCCSCC 34a_100011216438_100000766640 [0,1,1,0,0,0|1,0,1]=4 1292 B11R0.4 CCCC(C)OCCCSCC 7a_100011216438_100000766640 [0,1,1,0,0,0|1,0,1]=4 1293 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,1,1,0,0,0|1,0,1]=4 1294 B11R0.4 CCCCC=NNC(=O)CCC 4a_100000189770_100000210104 [0,1,1,0,0,0|1,0,1]=4 1295 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,1,1,0,0,0|1,0,0]=3 1296 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,1,1,0,0,0|2,0,0]=4 1297 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,1,1,0,0,0|2,0,0]=4 1298 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,1,1,0,0,0|2,0,0]=4 1299 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,1,1,0,0,0|1,0,0]=3 1300 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,1,1,0,0,0|2,0,0]=4 1301 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,1,1,0,0,0|2,0,0]=4 1302 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,1,1,0,0,0|2,0,0]=4 1303 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,1,1,0,0,0|2,0,0]=4 1304 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,1,0,0,0|1,0,0]=3 1305 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,1,0,0,0|1,0,0]=3 1306 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,1,0,0,0|2,0,0]=4 1307 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,1,0,0,0|2,0,0]=4 1308 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,1,0,0,0|2,0,0]=4 1309 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,1,0,0,0|2,0,0]=4 1310 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,1,0,0,0|2,0,0]=4 1311 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,1,1,0,0,0|2,0,0]=4 1312 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,1,1,0,0,0|2,0,0]=4 1313 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,1,1,0,0,0|2,0,0]=4 1314 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,1,1,0,0,0|1,0,0]=3 1315 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,1,1,0,0,0|1,0,0]=3 1316 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,1,1,0,0,0|1,0,0]=3 1317 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,1,1,0,0,0|1,0,0]=3 1318 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,1,0,0,0|2,0,0]=4 1319 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,1,1,0,0,0|2,0,0]=4 1320 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,1,1,0,0,0|2,0,0]=4 1321 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,1,1,0,0,0|2,0,0]=4 1322 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,1,1,0,0,0|2,0,0]=4 1323 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,1,1,0,0,0|2,0,0]=4 1324 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,1,1,0,0,0|2,0,0]=4 1325 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,1,1,0,0,0|2,0,0]=4 1326 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,1,1,0,0,0|2,0,0]=4 1327 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,1,1,0,0,0|2,0,0]=4 1328 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,1,1,0,0,0|2,0,0]=4 1329 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,1,1,0,0,0|2,0,0]=4 1330 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,1,1,0,0,0|2,0,0]=4 1331 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,1,1,0,0,0|2,0,0]=4 1332 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,1,1,0,0,0|2,0,0]=4 1333 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,1,1,0,0,0|2,0,0]=4 1334 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,1,1,0,0,0|2,0,0]=4 1335 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,1,1,0,0,0|2,0,0]=4 1336 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,1,1,0,0,0|2,0,0]=4 1337 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,1,1,0,0,0|2,0,0]=4 1338 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,1,1,0,0,0|2,0,0]=4 1339 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,1,1,0,0,0|1,0,1]=4 1340 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,1,1,0,0,0|1,0,1]=4 1341 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,1,1,0,0,0|1,0,1]=4 1342 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,1,1,0,0,0|1,0,1]=4 1343 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,1,1,0,0,0|1,0,0]=3 1344 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,1,1,0,0,0|2,0,0]=4 1345 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,1,1,0,0,0|2,0,0]=4 1346 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,1,1,0,0,0|2,0,0]=4 1347 B11R0.4 CCCCCNN=C(C)CCC 4a_100000694160_100000211909 [0,1,1,0,0,0|2,0,0]=4 1348 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,1,1,0,0,0|1,0,0]=3 1349 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,1,1,0,0,0|2,0,0]=4 1350 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,1,1,0,0,0|2,0,0]=4 1351 B11R0.4 CCCCCNNC(=O)CSC 22a_100000694160_100000184570 [0,1,1,0,0,0|2,0,0]=4 1352 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,1,1,0,0,0|2,0,0]=4 1353 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,1,1,0,0,0|2,0,0]=4 1354 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,1,1,0,0,0|2,0,0]=4 1355 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,1,1,0,0,0|0,0,0]=2 1356 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,1,1,0,0,0|1,0,0]=3 1357 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,1,1,0,0,0|1,0,0]=3 1358 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,1,1,0,0,0|2,0,0]=4 1359 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,1,1,0,0,0|2,0,0]=4 1360 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,1,1,0,0,0|1,0,0]=3 1361 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,1,1,0,0,0|1,0,0]=3 1362 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,1,1,0,0,0|1,0,1]=4 1363 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,1,1,0,0,0|1,0,1]=4 1364 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,1,1,0,0,0|1,0,1]=4 1365 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,1,1,0,0,0|1,0,1]=4 1366 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,1,1,0,0,0|1,0,1]=4 1367 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,1,1,0,0,0|0,1,0]=3 1368 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,1,1,0,0,0|0,1,0]=3 1369 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,1,1,0,0,0|1,1,0]=4 1370 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,1,1,0,0,0|1,1,0]=4 1371 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,1,1,0,0,0|1,1,0]=4 1372 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,1,1,0,0,0|1,1,0]=4 1373 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,1,1,0,0,0|2,0,0]=4 1374 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,1,1,0,0,0|2,0,0]=4 1375 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,1,1,0,0,0|2,0,0]=4 1376 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,1,1,0,0,0|2,0,0]=4 1377 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,1,1,0,0,0|2,0,0]=4 1378 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,1,1,0,0,0|0,0,0]=2 1379 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,1,1,0,0,0|1,0,0]=3 1380 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,1,1,0,0,0|2,0,0]=4 1381 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,1,1,0,0,0|2,0,0]=4 1382 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,1,1,0,0,0|2,0,0]=4 1383 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,1,1,0,0,0|2,0,0]=4 1384 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,1,1,0,0,0|2,0,0]=4 1385 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,1,1,0,0,0|2,0,0]=4 1386 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,1,1,0,0,0|0,0,0]=2 1387 B11R0.4 CCCCOCOC(C)CCC 34a_100000764384_100011995733 [0,1,1,0,0,0|1,0,1]=4 1388 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,1,1,0,0,0|2,0,0]=4 1389 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,1,1,0,0,0|2,0,0]=4 1390 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,1,1,0,0,0|2,0,0]=4 1391 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,1,1,0,0,0|2,0,0]=4 1392 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,1,1,0,0,0|0,0,0]=2 1393 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,1,1,0,0,0|1,0,0]=3 1394 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,1,1,0,0,0|2,0,0]=4 1395 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,1,1,0,0,0|2,0,0]=4 1396 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,1,1,0,0,0|1,0,0]=3 1397 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,1,1,0,0,0|1,0,0]=3 1398 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,1,1,0,0,0|1,0,0]=3 1399 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,1,1,0,0,0|2,0,0]=4 1400 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,1,1,0,0,0|2,0,0]=4 1401 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,1,1,0,0,0|2,0,0]=4 1402 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,1,1,0,0,0|2,0,0]=4 1403 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,1,1,0,0,0|2,0,0]=4 1404 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,1,1,0,0,0|2,0,0]=4 1405 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,1,1,0,0,0|2,0,0]=4 1406 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,1,1,0,0,0|2,0,0]=4 1407 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,1,1,0,0,0|2,0,0]=4 1408 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,1,1,0,0,0|2,0,0]=4 1409 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,1,1,0,0,0|2,0,0]=4 1410 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,1,1,0,0,0|2,0,0]=4 1411 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,1,1,0,0,0|2,0,0]=4 1412 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,1,1,0,0,0|2,0,0]=4 1413 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [0,1,1,0,0,0|1,0,1]=4 1414 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [0,1,1,0,0,0|1,0,1]=4 1415 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [0,1,1,0,0,0|1,0,1]=4 1416 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [0,1,1,0,0,0|1,0,1]=4 1417 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,1,1,0,0,0|2,0,0]=4 1418 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,1,1,0,0,0|2,0,0]=4 1419 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,1,1,0,0,0|1,0,0]=3 1420 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,1,1,0,0,0|1,0,0]=3 1421 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,1,1,0,0,0|1,0,0]=3 1422 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,1,1,0,0,0|2,0,0]=4 1423 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,1,1,0,0,0|2,0,0]=4 1424 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,1,1,0,0,0|2,0,0]=4 1425 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,1,1,0,0,0|2,0,0]=4 1426 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,1,1,0,0,0|2,0,0]=4 1427 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,1,1,0,0,0|2,0,0]=4 1428 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,1,1,0,0,0|2,0,0]=4 1429 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,1,1,0,0,0|2,0,0]=4 1430 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,1,1,0,0,0|2,0,0]=4 1431 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,1,1,0,0,0|2,0,0]=4 1432 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,1,1,0,0,0|2,0,0]=4 1433 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,1,1,0,0,0|2,0,0]=4 1434 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,1,1,0,0,0|2,0,0]=4 1435 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,1,1,0,0,0|2,0,0]=4 1436 B11R0.4 CCCSCCOC(C)CCC 34a_200000230433_100000766640 [0,1,1,0,0,0|1,0,1]=4 1437 B11R0.4 CCCSCCOC(C)CCC 7a_200000230433_100000766640 [0,1,1,0,0,0|1,0,1]=4 1438 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,1,1,0,0,0|2,0,0]=4 1439 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,1,1,0,0,0|2,0,0]=4 1440 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,1,1,0,0,0|2,0,0]=4 1441 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,1,1,0,0,0|2,0,0]=4 1442 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,1,1,0,0,0|2,0,0]=4 1443 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,1,1,0,0,0|2,0,0]=4 1444 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,1,1,0,0,0|2,0,0]=4 1445 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,1,1,0,0,0|2,0,0]=4 1446 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,1,1,0,0,0|2,0,0]=4 1447 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,1,1,0,0,0|2,0,0]=4 1448 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,1,1,0,0,0|2,0,0]=4 1449 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [0,1,1,0,0,0|2,0,0]=4 1450 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,1,1,0,0,0|2,0,0]=4 1451 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [0,1,1,0,0,0|2,0,0]=4 1452 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [0,1,1,0,0,0|2,0,0]=4 1453 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [0,1,1,0,0,0|2,0,0]=4 1454 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [0,1,1,0,0,0|2,0,0]=4 1455 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [0,1,1,0,0,0|2,0,0]=4 1456 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [0,1,1,0,0,0|2,0,0]=4 1457 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,1,1,0,0,0|2,0,0]=4 1458 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,1,1,0,0,0|2,0,0]=4 1459 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,1,1,0,0,0|2,0,0]=4 1460 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,1,1,0,0,0|2,0,0]=4 1461 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,1,1,0,0,0|2,0,0]=4 1462 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,1,1,0,0,0|2,0,0]=4 1463 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,1,1,0,0,0|2,0,0]=4 1464 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,1,1,0,0,0|2,0,0]=4 1465 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,1,1,0,0,0|2,0,0]=4 1466 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,1,1,0,0,0|2,0,0]=4 1467 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,1,1,0,0,0|2,0,0]=4 1468 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,1,1,0,0,0|2,0,0]=4 1469 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,1,1,0,0,0|2,0,0]=4 1470 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,1,1,0,0,0|2,0,0]=4 1471 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,1,1,0,0,0|2,0,0]=4 1472 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,1,1,0,0,0|2,0,0]=4 1473 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,1,1,0,0,0|2,0,0]=4 1474 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,1,1,0,0,0|2,0,0]=4 1475 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,1,1,0,0,0|2,0,0]=4 1476 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,1,1,0,0,0|2,0,0]=4 1477 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,1,1,0,0,0|2,0,0]=4 1478 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,1,1,0,0,0|2,0,0]=4 1479 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,1,1,0,0,0|2,0,0]=4 1480 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,1,1,0,0,0|2,0,0]=4 1481 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,1,1,0,0,0|2,0,0]=4 1482 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,1,1,0,0,0|2,0,0]=4 1483 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,1,1,0,0,0|2,0,0]=4 1484 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,1,1,0,0,0|2,0,0]=4 1485 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,1,1,0,0,0|2,0,0]=4 1486 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,1,1,0,0,0|2,0,0]=4 1487 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,1,1,0,0,0|2,0,0]=4 1488 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,1,1,0,0,0|2,0,0]=4 1489 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,1,1,0,0,0|2,0,0]=4 1490 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,1,1,0,0,0|2,0,0]=4 1491 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,1,1,0,0,0|2,0,0]=4 1492 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,1,1,0,0,0|2,0,0]=4 1493 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,1,1,0,0,0|2,0,0]=4 1494 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,1,1,0,0,0|2,0,0]=4 1495 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,1,1,0,0,0|2,0,0]=4 1496 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,1,1,0,0,0|2,0,0]=4 1497 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,1,1,0,0,0|2,0,0]=4 1498 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,1,1,0,0,0|2,0,0]=4 1499 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,1,1,0,0,0|2,0,0]=4 1500 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,1,1,0,0,0|2,0,0]=4 1501 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,1,1,0,0,0|2,0,0]=4 1502 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,1,1,0,0,0|2,0,0]=4 1503 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,1,1,0,0,0|2,0,0]=4 1504 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,1,1,0,0,0|2,0,0]=4 1505 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,1,1,0,0,0|2,0,0]=4 1506 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,1,1,0,0,0|2,0,0]=4 1507 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,1,1,0,0,0|2,0,0]=4 1508 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,1,1,0,0,0|2,0,0]=4 1509 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,1,1,0,0,0|2,0,0]=4 1510 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,1,1,0,0,0|2,0,0]=4 1511 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,1,1,0,0,0|2,0,0]=4 1512 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,1,1,0,0,0|2,0,0]=4 1513 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,1,1,0,0,0|2,0,0]=4 1514 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,1,1,0,0,0|2,0,0]=4 1515 B11R0.4 CCOCCCNC(=O)CSC 11a_100000210961_100000184570 [0,1,1,0,0,0|2,0,0]=4 1516 B11R0.4 CCOCCCNC(=O)CSC 1626a_100000210961_100000184570 [0,1,1,0,0,0|2,0,0]=4 1517 B11R0.4 CCOCCCNC(=O)CSC 240690a_100000210961_100000184570 [0,1,1,0,0,0|2,0,0]=4 1518 B11R0.4 CCOCCCNC(=O)CSC 527a_100000210961_100000184570 [0,1,1,0,0,0|2,0,0]=4 1519 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,1,1,0,0,0|2,0,0]=4 1520 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,1,1,0,0,0|2,0,0]=4 1521 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,1,1,0,0,0|2,0,0]=4 1522 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,1,1,0,0,0|2,0,0]=4 1523 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,1,1,0,0,0|2,0,0]=4 1524 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,1,1,0,0,0|2,0,0]=4 1525 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,1,1,0,0,0|2,0,0]=4 1526 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,1,1,0,0,0|2,0,0]=4 1527 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,1,1,0,0,0|2,0,0]=4 1528 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,1,1,0,0,0|2,0,0]=4 1529 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,1,1,0,0,0|2,0,0]=4 1530 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,1,1,0,0,0|2,0,0]=4 1531 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,1,1,0,0,0|2,0,0]=4 1532 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,1,1,0,0,0|2,0,0]=4 1533 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,1,1,0,0,0|2,0,0]=4 1534 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,1,1,0,0,0|2,0,0]=4 1535 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,1,1,0,0,0|2,0,0]=4 1536 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,1,1,0,0,0|1,0,1]=4 1537 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [0,1,1,0,0,0|1,0,0]=3 1538 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [0,1,1,0,0,0|1,0,0]=3 1539 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [0,1,1,0,0,0|1,0,0]=3 1540 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [0,1,1,0,0,0|1,0,0]=3 1541 B11R0.5 CCCCC(C)NC(=O)CCO 240690a_100000126638_100011216618 [0,1,1,0,0,0|2,0,0]=4 1542 B11R0.5 CCCCC(C)NC(=O)COC 11a_100000126638_100000210968 [0,1,1,0,0,0|2,0,0]=4 1543 B11R0.5 CCCCC(C)NC(=O)COC 1626a_100000126638_100000210968 [0,1,1,0,0,0|2,0,0]=4 1544 B11R0.5 CCCCC(C)NC(=O)COC 240690a_100000126638_100000210968 [0,1,1,0,0,0|2,0,0]=4 1545 B11R0.5 CCCCC(C)NC(=O)COC 527a_100000126638_100000210968 [0,1,1,0,0,0|2,0,0]=4 1546 B11R0.5 CCCCC(C)NC(=O)CSC 11a_100000126638_100000184570 [0,1,1,0,0,0|2,0,0]=4 1547 B11R0.5 CCCCC(C)NC(=O)CSC 1626a_100000126638_100000184570 [0,1,1,0,0,0|2,0,0]=4 1548 B11R0.5 CCCCC(C)NC(=O)CSC 240690a_100000126638_100000184570 [0,1,1,0,0,0|2,0,0]=4 1549 B11R0.5 CCCCC(C)NC(=O)CSC 527a_100000126638_100000184570 [0,1,1,0,0,0|2,0,0]=4 1550 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [0,1,1,0,0,0|2,0,0]=4 1551 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [0,1,1,0,0,0|2,0,0]=4 1552 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [0,1,1,0,0,0|2,0,0]=4 1553 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [0,1,1,0,0,0|2,0,0]=4 1554 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [0,1,1,0,0,0|2,0,0]=4 1555 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [0,1,1,0,0,0|2,0,0]=4 1556 B11R0.5 CCCCC(C)OC(C)CCC 34a_100000687866_100000766640 [0,1,1,0,0,0|1,0,1]=4 1557 B11R0.5 CCCCC(C)OC(C)CCC 34a_100000764384_200011215066 [0,1,1,0,0,0|1,0,1]=4 1558 B11R0.5 CCCCC(C)OC(C)CCC 7a_100000687866_100000766640 [0,1,1,0,0,0|1,0,1]=4 1559 B11R0.5 CCCCC(C)OC(C)CCC 7a_100000764384_200011215066 [0,1,1,0,0,0|1,0,1]=4 1560 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [0,1,1,0,0,0|2,0,0]=4 1561 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [0,1,1,0,0,0|2,0,0]=4 1562 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [0,1,1,0,0,0|2,0,0]=4 1563 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [0,1,1,0,0,0|2,0,0]=4 1564 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,1,1,0,0,0|2,0,0]=4 1565 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,1,1,0,0,0|0,0,1]=3 1566 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,1,1,0,0,0|2,0,0]=4 1567 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,1,1,0,0,0|2,0,0]=4 1568 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,1,1,0,0,0|2,0,0]=4 1569 B11R0.62 CCCC(=O)NCC(O)COC 240690a_100000756049_100000211992 [0,1,1,0,0,0|2,0,0]=4 1570 B11R0.62 CCCC(=O)NCC(O)COC 527a_100000756049_100000211992 [0,1,1,0,0,0|2,0,0]=4 1571 B11R0.62 CCCC(=O)OCC(=O)CCO 1458a_100011216618_100000034017 [0,1,1,0,0,0|1,0,1]=4 1572 B11R0.62 CCCC(=O)OCC(=O)COC 1458a_100000210968_100000034017 [0,1,1,0,0,0|1,0,1]=4 1573 B11R0.62 CCCC(=O)OCC(=O)CSC 1458a_100000184570_100000034017 [0,1,1,0,0,0|1,0,1]=4 1574 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,1,1,0,0,0|1,0,0]=3 1575 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,1,1,0,0,0|1,0,0]=3 1576 B11R0.62 CCCC(=O)OCN(C)CCO 2230a_100000210263_100000034017 [0,1,1,0,0,0|2,0,0]=4 1577 B11R0.62 CCCC(=O)OCN(C)CCO 269982a_100000210263_100000034017 [0,1,1,0,0,0|2,0,0]=4 1578 B11R0.62 CCCC(C)COC(C)CCC 34a_100000688023_100000766640 [0,1,1,0,0,0|1,0,1]=4 1579 B11R0.62 CCCC(C)COC(C)CCC 34a_100000764384_100011216630 [0,1,1,0,0,0|1,0,1]=4 1580 B11R0.62 CCCC(C)COC(C)CCC 7a_100000688023_100000766640 [0,1,1,0,0,0|1,0,1]=4 1581 B11R0.62 CCCC(C)COC(C)CCC 7a_100000764384_100011216630 [0,1,1,0,0,0|1,0,1]=4 1582 B11R0.62 CCCC(C)OC[C@@H](N)CCC 34a_100000732646_100000766640 [0,1,1,0,0,0|1,0,1]=4 1583 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,1,1,0,0,0|1,0,1]=4 1584 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,1,1,0,0,0|1,0,1]=4 1585 B11R0.81 C#CCCC(=O)NCCCCC 11a_100000209983_100000692101 [0,1,1,0,0,0|1,0,1]=4 1586 B11R0.81 C#CCCC(=O)NCCCCC 1626a_100000209983_100000692101 [0,1,1,0,0,0|1,0,1]=4 1587 B11R0.81 C#CCCC(=O)NCCCCC 240690a_100000209983_100000692101 [0,1,1,0,0,0|1,0,1]=4 1588 B11R0.81 C#CCCC(=O)NCCCCC 527a_100000209983_100000692101 [0,1,1,0,0,0|1,0,1]=4 1589 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,1,1,0,0,0|1,0,1]=4 1590 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,1,1,0,0,0|1,0,1]=4 1591 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,1,1,0,0,0|1,0,1]=4 1592 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,1,1,0,0,0|1,0,1]=4 1593 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,1,1,0,0,0|1,0,1]=4 1594 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,1,1,0,0,0|1,0,1]=4 1595 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,1,1,0,0,0|1,0,1]=4 1596 B11R0.81 CC#CCC(=O)CCCCCC 1458a_100102632555_100000748600 [0,1,1,0,0,0|1,0,1]=4 1597 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,1,1,0,0,0|1,0,1]=4 1598 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,1,1,0,0,0|1,0,1]=4 1599 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [0,1,1,0,0,0|1,0,1]=4 1600 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [0,1,1,0,0,0|1,0,1]=4 1601 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [0,1,1,0,0,0|1,0,1]=4 1602 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [0,1,1,0,0,0|1,0,1]=4 1603 B11R0.81 CCC#CC(=O)CCCCCC 1458a_100011827653_100000210757 [0,1,1,0,0,0|1,0,1]=4 1604 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,1,1,0,0,0|1,0,1]=4 1605 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [0,1,1,0,0,0|1,0,1]=4 1606 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [0,1,1,0,0,0|1,0,1]=4 1607 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [0,1,1,0,0,0|1,0,1]=4 1608 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,1,1,0,0,0|2,0,0]=4 1609 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,1,1,0,0,0|2,0,0]=4 1610 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,1,1,0,0,0|2,0,0]=4 1611 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,1,1,0,0,0|2,0,0]=4 1612 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,1,1,0,0,0|2,0,0]=4 1613 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,1,1,0,0,0|2,0,0]=4 1614 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [0,1,1,0,0,0|2,0,0]=4 1615 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [0,1,1,0,0,0|2,0,0]=4 1616 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [0,1,1,0,0,0|2,0,0]=4 1617 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [0,1,1,0,0,0|2,0,0]=4 1618 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [0,1,1,0,0,0|2,0,0]=4 1619 B11R0.81 CCCCC(=O)NCCCSC 11a_100000749238_100000210183 [0,1,1,0,0,0|2,0,0]=4 1620 B11R0.81 CCCCC(=O)NCCCSC 1626a_100000749238_100000210183 [0,1,1,0,0,0|2,0,0]=4 1621 B11R0.81 CCCCC(=O)NCCCSC 240690a_100000749238_100000210183 [0,1,1,0,0,0|2,0,0]=4 1622 B11R0.81 CCCCC(=O)NCCCSC 527a_100000749238_100000210183 [0,1,1,0,0,0|2,0,0]=4 1623 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [0,1,1,0,0,0|2,0,0]=4 1624 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [0,1,1,0,0,0|2,0,0]=4 1625 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [0,1,1,0,0,0|2,0,0]=4 1626 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [0,1,1,0,0,0|2,0,0]=4 1627 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [0,1,1,0,0,0|2,0,0]=4 1628 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [0,1,1,0,0,0|2,0,0]=4 1629 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [0,1,1,0,0,0|2,0,0]=4 1630 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [0,1,1,0,0,0|2,0,0]=4 1631 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [0,1,1,0,0,0|1,0,1]=4 1632 B11R0.81 CCCCC=CC(=O)CCCF 1458a_100016266645_100011934791 [0,1,1,0,0,0|1,0,1]=4 1633 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [0,1,1,0,0,0|1,0,1]=4 1634 B11R0.81 CCCCC=CC(=O)CCOC 1458a_100016266645_100000233755 [0,1,1,0,0,0|1,0,1]=4 1635 B11R0.81 CCCCC=CC(=O)CCSC 1458a_100016266645_100000751147 [0,1,1,0,0,0|1,0,1]=4 1636 B11R0.81 CCCCC=CC(=O)NCCC 11a_100020643023_100016266645 [0,1,1,0,0,0|1,0,1]=4 1637 B11R0.81 CCCCC=CC(=O)NCCC 1626a_100020643023_100016266645 [0,1,1,0,0,0|1,0,1]=4 1638 B11R0.81 CCCCC=CC(=O)NCCC 240690a_100020643023_100016266645 [0,1,1,0,0,0|1,0,1]=4 1639 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,1,1,0,0,0|1,0,1]=4 1640 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,1,1,0,0,0|1,0,1]=4 1641 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,1,1,0,0,0|1,0,0]=3 1642 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,1,1,0,0,0|1,0,0]=3 1643 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,1,1,0,0,0|1,0,0]=3 1644 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,1,1,0,0,0|1,0,0]=3 1645 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,1,1,0,0,0|1,0,0]=3 1646 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,1,1,0,0,0|1,0,0]=3 1647 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,1,1,0,0,0|1,0,0]=3 1648 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,1,1,0,0,0|1,0,0]=3 1649 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,1,1,0,0,0|1,0,0]=3 1650 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,1,1,0,0,0|1,0,0]=3 1651 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,1,1,0,0,0|1,0,0]=3 1652 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,1,1,0,0,0|1,0,0]=3 1653 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,1,1,0,0,0|1,0,0]=3 1654 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,1,1,0,0,0|1,0,0]=3 1655 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,1,1,0,0,0|2,0,0]=4 1656 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,1,1,0,0,0|2,0,0]=4 1657 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,1,1,0,0,0|2,0,0]=4 1658 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,1,1,0,0,0|2,0,0]=4 1659 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,1,1,0,0,0|2,0,0]=4 1660 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,1,1,0,0,0|2,0,0]=4 1661 B11R0.81 CCCCCCC(=O)NNCC 22a_100000756455_100102632555 [0,1,1,0,0,0|2,0,0]=4 1662 B11R0.81 CCCCCNC(=O)CCC#N 11a_100000209983_100011934036 [0,1,1,0,0,0|1,0,1]=4 1663 B11R0.81 CCCCCNC(=O)CCC#N 1626a_100000209983_100011934036 [0,1,1,0,0,0|1,0,1]=4 1664 B11R0.81 CCCCCNC(=O)CCC#N 240690a_100000209983_100011934036 [0,1,1,0,0,0|1,0,1]=4 1665 B11R0.81 CCCCCNC(=O)CCC#N 527a_100000209983_100011934036 [0,1,1,0,0,0|1,0,1]=4 1666 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,1,1,0,0,0|1,0,0]=3 1667 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,1,1,0,0,0|1,0,0]=3 1668 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,1,1,0,0,0|1,0,0]=3 1669 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,1,1,0,0,0|1,0,0]=3 1670 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,1,1,0,0,0|1,0,0]=3 1671 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,1,1,0,0,0|1,0,0]=3 1672 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,1,1,0,0,0|1,0,0]=3 1673 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,1,1,0,0,0|1,0,0]=3 1674 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [0,1,1,0,0,0|1,0,0]=3 1675 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [0,1,1,0,0,0|1,0,0]=3 1676 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [0,1,1,0,0,0|1,0,0]=3 1677 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [0,1,1,0,0,0|1,0,0]=3 1678 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [0,1,1,0,0,0|1,0,0]=3 1679 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [0,1,1,0,0,0|1,0,0]=3 1680 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [0,1,1,0,0,0|1,0,0]=3 1681 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [0,1,1,0,0,0|1,0,0]=3 1682 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [0,1,1,0,0,0|1,0,0]=3 1683 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [0,1,1,0,0,0|1,0,0]=3 1684 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [0,1,1,0,0,0|1,0,0]=3 1685 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [0,1,1,0,0,0|1,0,0]=3 1686 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [0,1,1,0,0,0|1,0,0]=3 1687 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [0,1,1,0,0,0|1,0,0]=3 1688 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [0,1,1,0,0,0|1,0,0]=3 1689 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [0,1,1,0,0,0|1,0,0]=3 1690 B11R0.81 CCCCCNC(=O)CSCF 62a_100000230301_100015361967 [0,1,1,0,0,0|2,0,0]=4 1691 B11R0.81 CCCCCNC(=O)CSCF 62a_100015361967_100000230301 [0,1,1,0,0,0|2,0,0]=4 1692 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [0,1,1,0,0,0|1,0,0]=3 1693 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [0,1,1,0,0,0|1,0,0]=3 1694 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [0,1,1,0,0,0|1,0,0]=3 1695 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [0,1,1,0,0,0|1,0,0]=3 1696 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [0,1,1,0,0,0|1,0,0]=3 1697 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [0,1,1,0,0,0|1,0,0]=3 1698 B11R0.81 CCCCCNC(=O)NCCF 2708a_100000209983_100000724931 [0,1,1,0,0,0|2,0,0]=4 1699 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000209983_100000724931 [0,1,1,0,0,0|2,0,0]=4 1700 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000724931_100000209983 [0,1,1,0,0,0|2,0,0]=4 1701 B11R0.81 CCCCCNC(=O)NCCF 512a_100000209983_100000724931 [0,1,1,0,0,0|2,0,0]=4 1702 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,1,1,0,0,0|2,0,0]=4 1703 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,1,1,0,0,0|2,0,0]=4 1704 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,1,1,0,0,0|2,0,0]=4 1705 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,1,1,0,0,0|2,0,0]=4 1706 B11R0.81 CCCCCNC(=O)NNCC 273464a_100000209983_100000756455 [0,1,1,0,0,0|2,0,0]=4 1707 B11R0.81 CCCCCNC(=O)NNCC 512a_100000209983_100000756455 [0,1,1,0,0,0|2,0,0]=4 1708 B11R0.81 CCCCCNC(=O)NNCC 512a_100000756455_100000209983 [0,1,1,0,0,0|2,0,0]=4 1709 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [0,1,1,0,0,0|1,0,1]=4 1710 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [0,1,1,0,0,0|1,0,1]=4 1711 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [0,1,1,0,0,0|1,0,1]=4 1712 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [0,1,1,0,0,0|1,0,1]=4 1713 B11R0.81 CCCCCOC(C)CCCCl 34a_200000718107_100000718602 [0,1,1,0,0,0|1,0,1]=4 1714 B11R0.81 CCCCCOC(C)CCCCl 7a_200000718107_100000210326 [0,1,1,0,0,0|1,0,1]=4 1715 B11R0.81 CCCCCOC(C)COCC 34a_100000718985_100000718602 [0,1,1,0,0,0|1,0,1]=4 1716 B11R0.81 CCCCCOC(C)COCC 7a_100000718985_100000210326 [0,1,1,0,0,0|1,0,1]=4 1717 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000102301_100000183358 [0,1,1,0,0,0|2,0,0]=4 1718 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000174927_100000210211 [0,1,1,0,0,0|2,0,0]=4 1719 B11R0.81 CCCCNCC(=O)NCCC 7a_106832991798_100000183358 [0,1,1,0,0,0|2,0,0]=4 1720 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,1,1,0,0,0|2,0,0]=4 1721 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,1,1,0,0,0|2,0,0]=4 1722 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [0,1,1,0,0,0|2,0,0]=4 1723 B11R0.81 CCCCNNC(=O)CCOC 22a_100025702795_100000749529 [0,1,1,0,0,0|2,0,0]=4 1724 B11R0.81 CCCCNNC(=O)CCSC 22a_100025702795_100000174002 [0,1,1,0,0,0|2,0,0]=4 1725 B11R0.81 CCCCNNC(=O)COCC 22a_100025702795_100000211967 [0,1,1,0,0,0|2,0,0]=4 1726 B11R0.81 CCCCNNC(=O)CSCC 22a_100025702795_100000230394 [0,1,1,0,0,0|2,0,0]=4 1727 B11R0.81 CCCCNNC(=O)NCCC 273464a_100020643023_100025702795 [0,1,1,0,0,0|2,0,0]=4 1728 B11R0.81 CCCCNNC(=O)NCCC 512a_100020643023_100025702795 [0,1,1,0,0,0|2,0,0]=4 1729 B11R0.81 CCCCNNC(=O)NCCC 512a_100025702795_100020643023 [0,1,1,0,0,0|2,0,0]=4 1730 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,1,1,0,0,0|2,0,0]=4 1731 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,1,1,0,0,0|2,0,0]=4 1732 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,1,1,0,0,0|2,0,0]=4 1733 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,1,1,0,0,0|2,0,0]=4 1734 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,1,1,0,0,0|2,0,0]=4 1735 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,1,1,0,0,0|2,0,0]=4 1736 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [0,1,1,0,0,0|2,0,0]=4 1737 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [0,1,1,0,0,0|2,0,0]=4 1738 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [0,1,1,0,0,0|2,0,0]=4 1739 B11R0.81 CCCCOCC(=O)CSCC 1458a_100000230394_100011995733 [0,1,1,0,0,0|2,0,0]=4 1740 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [0,1,1,0,0,0|2,0,0]=4 1741 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [0,1,1,0,0,0|2,0,0]=4 1742 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [0,1,1,0,0,0|2,0,0]=4 1743 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [0,1,1,0,0,0|2,0,0]=4 1744 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [0,1,1,0,0,0|2,0,0]=4 1745 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [0,1,1,0,0,0|2,0,0]=4 1746 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,1,1,0,0,0|2,0,0]=4 1747 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,1,1,0,0,0|2,0,0]=4 1748 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,1,1,0,0,0|2,0,0]=4 1749 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,1,1,0,0,0|2,0,0]=4 1750 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,1,1,0,0,0|2,0,0]=4 1751 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,1,1,0,0,0|2,0,0]=4 1752 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [0,1,1,0,0,0|2,0,0]=4 1753 B11R0.81 CCCCSCC(=O)NCCC 11a_100020643023_100000191162 [0,1,1,0,0,0|2,0,0]=4 1754 B11R0.81 CCCCSCC(=O)NCCC 1626a_100020643023_100000191162 [0,1,1,0,0,0|2,0,0]=4 1755 B11R0.81 CCCCSCC(=O)NCCC 240690a_100020643023_100000191162 [0,1,1,0,0,0|2,0,0]=4 1756 B11R0.81 CCCCSCC(=O)NCCC 527a_100020643023_100000191162 [0,1,1,0,0,0|2,0,0]=4 1757 B11R0.81 CCCCSCC(=O)NCCC 62a_100000183358_100000210210 [0,1,1,0,0,0|2,0,0]=4 1758 B11R0.81 CCCCSCC(=O)NCCC 62a_100000210211_100000183358 [0,1,1,0,0,0|2,0,0]=4 1759 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,1,1,0,0,0|2,0,0]=4 1760 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,1,1,0,0,0|2,0,0]=4 1761 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,1,1,0,0,0|2,0,0]=4 1762 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [0,1,1,0,0,0|2,0,0]=4 1763 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [0,1,1,0,0,0|2,0,0]=4 1764 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [0,1,1,0,0,0|2,0,0]=4 1765 B11R0.81 CCCNC(=O)NCCCCO 2708a_100000750430_100020643023 [0,1,1,0,0,0|2,0,0]=4 1766 B11R0.81 CCCNC(=O)NCCCCO 2708a_100020643023_100000750430 [0,1,1,0,0,0|2,0,0]=4 1767 B11R0.81 CCCNC(=O)NCCCCO 273464a_100000750430_100020643023 [0,1,1,0,0,0|2,0,0]=4 1768 B11R0.81 CCCNC(=O)NCCCCO 273464a_100020643023_100000750430 [0,1,1,0,0,0|2,0,0]=4 1769 B11R0.81 CCCNC(=O)NCCCCO 512a_100000750430_100020643023 [0,1,1,0,0,0|2,0,0]=4 1770 B11R0.81 CCCNC(=O)NCCCCO 512a_100020643023_100000750430 [0,1,1,0,0,0|2,0,0]=4 1771 B11R0.81 CCCNC(=O)NCCCOC 2708a_100020643023_100150723488 [0,1,1,0,0,0|2,0,0]=4 1772 B11R0.81 CCCNC(=O)NCCCOC 2708a_100150723488_100020643023 [0,1,1,0,0,0|2,0,0]=4 1773 B11R0.81 CCCNC(=O)NCCCOC 273464a_100020643023_100150723488 [0,1,1,0,0,0|2,0,0]=4 1774 B11R0.81 CCCNC(=O)NCCCOC 273464a_100150723488_100020643023 [0,1,1,0,0,0|2,0,0]=4 1775 B11R0.81 CCCNC(=O)NCCCOC 512a_100020643023_100150723488 [0,1,1,0,0,0|2,0,0]=4 1776 B11R0.81 CCCNC(=O)NCCCSC 2708a_100000749238_100020643023 [0,1,1,0,0,0|2,0,0]=4 1777 B11R0.81 CCCNC(=O)NCCCSC 2708a_100020643023_100000749238 [0,1,1,0,0,0|2,0,0]=4 1778 B11R0.81 CCCNC(=O)NCCCSC 273464a_100000749238_100020643023 [0,1,1,0,0,0|2,0,0]=4 1779 B11R0.81 CCCNC(=O)NCCCSC 273464a_100020643023_100000749238 [0,1,1,0,0,0|2,0,0]=4 1780 B11R0.81 CCCNC(=O)NCCCSC 512a_100000749238_100020643023 [0,1,1,0,0,0|2,0,0]=4 1781 B11R0.81 CCCNC(=O)NCCCSC 512a_100020643023_100000749238 [0,1,1,0,0,0|2,0,0]=4 1782 B11R0.81 CCCNC(=O)NCCOCC 2708a_100011200944_100020643023 [0,1,1,0,0,0|2,0,0]=4 1783 B11R0.81 CCCNC(=O)NCCOCC 2708a_100020643023_100011200944 [0,1,1,0,0,0|2,0,0]=4 1784 B11R0.81 CCCNC(=O)NCCOCC 273464a_100020643023_102516460346 [0,1,1,0,0,0|2,0,0]=4 1785 B11R0.81 CCCNC(=O)NCCOCC 273464a_102516460346_100020643023 [0,1,1,0,0,0|2,0,0]=4 1786 B11R0.81 CCCNC(=O)NCCOCC 512a_100011200944_100020643023 [0,1,1,0,0,0|2,0,0]=4 1787 B11R0.81 CCCNC(=O)NCCOCC 512a_100020643023_100011200944 [0,1,1,0,0,0|2,0,0]=4 1788 B11R0.81 CCCNC(=O)NCCSCC 2708a_100000106463_100020643023 [0,1,1,0,0,0|2,0,0]=4 1789 B11R0.81 CCCNC(=O)NCCSCC 2708a_100020643023_100000106463 [0,1,1,0,0,0|2,0,0]=4 1790 B11R0.81 CCCNC(=O)NCCSCC 273464a_100000106463_100020643023 [0,1,1,0,0,0|2,0,0]=4 1791 B11R0.81 CCCNC(=O)NCCSCC 273464a_100020643023_100000106463 [0,1,1,0,0,0|2,0,0]=4 1792 B11R0.81 CCCNC(=O)NCCSCC 512a_100000106463_100020643023 [0,1,1,0,0,0|2,0,0]=4 1793 B11R0.81 CCCNC(=O)NCCSCC 512a_100020643023_100000106463 [0,1,1,0,0,0|2,0,0]=4 1794 B11R0.81 CCCOC(=O)OCNCCF 34a_100000724931_200000139673 [0,1,1,0,0,0|2,0,0]=4 1795 B11R0.81 CCCOC(=O)OCNCCO 34a_100016990907_200000139673 [0,1,1,0,0,0|2,0,0]=4 1796 B11R0.81 CCCOC(=O)OCOCCBr 34a_100000211926_200000139673 [0,1,1,0,0,0|2,0,0]=4 1797 B11R0.81 CCCOC(=O)OCOCCN 34a_100000210304_200000139673 [0,1,1,0,0,0|2,0,0]=4 1798 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [0,1,1,0,0,0|1,0,0]=3 1799 B11R0.81 CCCOC(=O)OCSCCF 62a_100011217306_200000139673 [0,1,1,0,0,0|2,0,0]=4 1800 B11R0.81 CCCOC(=O)OCSCCO 62a_100000211926_200000139673 [0,1,1,0,0,0|2,0,0]=4 1801 B11R0.81 CCCOC(=O)OCSCOC 62a_100000766300_200000139673 [0,1,1,0,0,0|2,0,0]=4 1802 B11R0.81 CCCOC(=O)OCSCSC 62a_100011218213_200000139673 [0,1,1,0,0,0|2,0,0]=4 1803 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,1,1,0,0,0|2,0,0]=4 1804 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [0,1,1,0,0,0|2,0,0]=4 1805 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [0,1,1,0,0,0|2,0,0]=4 1806 B11R0.81 CCCOCCC(=O)CSCC 1458a_100000230394_100011215938 [0,1,1,0,0,0|2,0,0]=4 1807 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [0,1,1,0,0,0|1,0,0]=3 1808 B11R0.81 CCNCC(=O)NCCCOC 2230a_100015525214_100000183178 [0,1,1,0,0,0|2,0,0]=4 1809 B11R0.81 CCNCC(=O)OCCOCC 2230a_100015525214_200000101388 [0,1,1,0,0,0|1,0,0]=3 1810 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,1,1,0,0,0|2,0,0]=4 1811 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,1,1,0,0,0|2,0,0]=4 1812 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [0,1,1,0,0,0|2,0,0]=4 1813 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [0,1,1,0,0,0|2,0,0]=4 1814 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [0,1,1,0,0,0|2,0,0]=4 1815 B11R0.81 CCOCC(=O)NCCCOC 1626a_100150723488_100000211967 [0,1,1,0,0,0|2,0,0]=4 1816 B11R0.81 CCOCC(=O)NCCCOC 240690a_100150723488_100000211967 [0,1,1,0,0,0|2,0,0]=4 1817 B11R0.81 CCOCC(=O)NCCCOC 34a_100121572206_100000183178 [0,1,1,0,0,0|2,0,0]=4 1818 B11R0.81 CCOCC(=O)NCCCOC 527a_100150723488_100000211967 [0,1,1,0,0,0|2,0,0]=4 1819 B11R0.81 CCOCC(=O)NCCCSC 11a_100000749238_100000211967 [0,1,1,0,0,0|2,0,0]=4 1820 B11R0.81 CCOCC(=O)NCCCSC 1626a_100000749238_100000211967 [0,1,1,0,0,0|2,0,0]=4 1821 B11R0.81 CCOCC(=O)NCCCSC 240690a_100000749238_100000211967 [0,1,1,0,0,0|2,0,0]=4 1822 B11R0.81 CCOCC(=O)NCCCSC 527a_100000749238_100000211967 [0,1,1,0,0,0|2,0,0]=4 1823 B11R0.81 CCOCC(=O)NCCSCC 11a_100000106463_100000211967 [0,1,1,0,0,0|2,0,0]=4 1824 B11R0.81 CCOCC(=O)NCCSCC 1626a_100000106463_100000211967 [0,1,1,0,0,0|2,0,0]=4 1825 B11R0.81 CCOCC(=O)NCCSCC 240690a_100000106463_100000211967 [0,1,1,0,0,0|2,0,0]=4 1826 B11R0.81 CCOCC(=O)NCCSCC 527a_100000106463_100000211967 [0,1,1,0,0,0|2,0,0]=4 1827 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,1,1,0,0,0|2,0,0]=4 1828 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [0,1,1,0,0,0|2,0,0]=4 1829 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [0,1,1,0,0,0|2,0,0]=4 1830 B11R0.81 CCOCCCC(=O)CSCC 1458a_100000230394_100012232248 [0,1,1,0,0,0|2,0,0]=4 1831 B11R0.81 CCOCCNC(=O)CCOC 11a_100011200944_100000749529 [0,1,1,0,0,0|2,0,0]=4 1832 B11R0.81 CCOCCNC(=O)CCOC 1626a_102516460346_100000749529 [0,1,1,0,0,0|2,0,0]=4 1833 B11R0.81 CCOCCNC(=O)CCOC 240690a_100011200944_100000749529 [0,1,1,0,0,0|2,0,0]=4 1834 B11R0.81 CCOCCNC(=O)CCOC 527a_100011200944_100000749529 [0,1,1,0,0,0|2,0,0]=4 1835 B11R0.81 CCOCCNC(=O)CCSC 11a_100011200944_100000174002 [0,1,1,0,0,0|2,0,0]=4 1836 B11R0.81 CCOCCNC(=O)CCSC 1626a_102516460346_100000174002 [0,1,1,0,0,0|2,0,0]=4 1837 B11R0.81 CCOCCNC(=O)CCSC 240690a_100011200944_100000174002 [0,1,1,0,0,0|2,0,0]=4 1838 B11R0.81 CCOCCNC(=O)CCSC 527a_100011200944_100000174002 [0,1,1,0,0,0|2,0,0]=4 1839 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [0,1,1,0,0,0|2,0,0]=4 1840 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [0,1,1,0,0,0|2,0,0]=4 1841 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [0,1,1,0,0,0|2,0,0]=4 1842 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [0,1,1,0,0,0|2,0,0]=4 1843 B11R0.81 CCOCCNC(=O)CSCC 11a_100011200944_100000230394 [0,1,1,0,0,0|2,0,0]=4 1844 B11R0.81 CCOCCNC(=O)CSCC 1626a_102516460346_100000230394 [0,1,1,0,0,0|2,0,0]=4 1845 B11R0.81 CCOCCNC(=O)CSCC 240690a_100011200944_100000230394 [0,1,1,0,0,0|2,0,0]=4 1846 B11R0.81 CCOCCNC(=O)CSCC 527a_100011200944_100000230394 [0,1,1,0,0,0|2,0,0]=4 1847 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [0,1,1,0,0,0|1,0,0]=3 1848 B11R0.81 CCOCCOC(=O)CSCC 62a_100000210202_200000101388 [0,1,1,0,0,0|1,0,0]=3 1849 B11R0.81 CCOCCOC(=O)CSCC 62a_200000101388_100000210202 [0,1,1,0,0,0|1,0,0]=3 1850 B11R0.81 CCOCCOC(=O)CSCF 62a_100015361967_200000101388 [0,1,1,0,0,0|2,0,0]=4 1851 B11R0.81 CCOCCOC(=O)CSCF 62a_200000101388_100015361967 [0,1,1,0,0,0|2,0,0]=4 1852 B11R0.81 CCSCC(=O)CCCCCF 1458a_100000230394_100000729378 [0,1,1,0,0,0|2,0,0]=4 1853 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [0,1,1,0,0,0|2,0,0]=4 1854 B11R0.81 CCSCC(=O)CCCCOC 1458a_100000230394_100000755781 [0,1,1,0,0,0|2,0,0]=4 1855 B11R0.81 CCSCC(=O)NCCCCO 240690a_100000750430_100000230394 [0,1,1,0,0,0|2,0,0]=4 1856 B11R0.81 CCSCC(=O)NCCCCO 527a_100000750430_100000230394 [0,1,1,0,0,0|2,0,0]=4 1857 B11R0.81 CCSCC(=O)NCCCOC 1626a_100150723488_100000230394 [0,1,1,0,0,0|2,0,0]=4 1858 B11R0.81 CCSCC(=O)NCCCOC 240690a_100150723488_100000230394 [0,1,1,0,0,0|2,0,0]=4 1859 B11R0.81 CCSCC(=O)NCCCOC 527a_100150723488_100000230394 [0,1,1,0,0,0|2,0,0]=4 1860 B11R0.81 CCSCC(=O)NCCCOC 62a_100000183178_100000210202 [0,1,1,0,0,0|2,0,0]=4 1861 B11R0.81 CCSCC(=O)NCCCSC 11a_100000749238_100000230394 [0,1,1,0,0,0|2,0,0]=4 1862 B11R0.81 CCSCC(=O)NCCCSC 1626a_100000749238_100000230394 [0,1,1,0,0,0|2,0,0]=4 1863 B11R0.81 CCSCC(=O)NCCCSC 240690a_100000749238_100000230394 [0,1,1,0,0,0|2,0,0]=4 1864 B11R0.81 CCSCC(=O)NCCCSC 527a_100000749238_100000230394 [0,1,1,0,0,0|2,0,0]=4 1865 B11R0.81 CCSCCNC(=O)CCOC 11a_100000106463_100000749529 [0,1,1,0,0,0|2,0,0]=4 1866 B11R0.81 CCSCCNC(=O)CCOC 1626a_100000106463_100000749529 [0,1,1,0,0,0|2,0,0]=4 1867 B11R0.81 CCSCCNC(=O)CCOC 240690a_100000106463_100000749529 [0,1,1,0,0,0|2,0,0]=4 1868 B11R0.81 CCSCCNC(=O)CCOC 527a_100000106463_100000749529 [0,1,1,0,0,0|2,0,0]=4 1869 B11R0.81 CCSCCNC(=O)CCSC 11a_100000106463_100000174002 [0,1,1,0,0,0|2,0,0]=4 1870 B11R0.81 CCSCCNC(=O)CCSC 1626a_100000106463_100000174002 [0,1,1,0,0,0|2,0,0]=4 1871 B11R0.81 CCSCCNC(=O)CCSC 240690a_100000106463_100000174002 [0,1,1,0,0,0|2,0,0]=4 1872 B11R0.81 CCSCCNC(=O)CCSC 527a_100000106463_100000174002 [0,1,1,0,0,0|2,0,0]=4 1873 B11R0.81 CCSCCNC(=O)CSCC 11a_100000106463_100000230394 [0,1,1,0,0,0|2,0,0]=4 1874 B11R0.81 CCSCCNC(=O)CSCC 1626a_100000106463_100000230394 [0,1,1,0,0,0|2,0,0]=4 1875 B11R0.81 CCSCCNC(=O)CSCC 240690a_100000106463_100000230394 [0,1,1,0,0,0|2,0,0]=4 1876 B11R0.81 CCSCCNC(=O)CSCC 527a_100000106463_100000230394 [0,1,1,0,0,0|2,0,0]=4 1877 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,1,1,0,0,0|2,0,0]=4 1878 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,1,1,0,0,0|2,0,0]=4 1879 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,1,1,0,0,0|2,0,0]=4 1880 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [0,1,1,0,0,0|2,0,0]=4 1881 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [0,1,1,0,0,0|2,0,0]=4 1882 B11R0.81 COCCC(=O)NCCCSC 11a_100000749238_100000749529 [0,1,1,0,0,0|2,0,0]=4 1883 B11R0.81 COCCC(=O)NCCCSC 1626a_100000749238_100000749529 [0,1,1,0,0,0|2,0,0]=4 1884 B11R0.81 COCCC(=O)NCCCSC 240690a_100000749238_100000749529 [0,1,1,0,0,0|2,0,0]=4 1885 B11R0.81 COCCC(=O)NCCCSC 527a_100000749238_100000749529 [0,1,1,0,0,0|2,0,0]=4 1886 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,1,1,0,0,0|2,0,0]=4 1887 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [0,1,1,0,0,0|2,0,0]=4 1888 B11R0.81 COCCCNC(=O)CCOC 1626a_100150723488_100000749529 [0,1,1,0,0,0|2,0,0]=4 1889 B11R0.81 COCCCNC(=O)CCOC 240690a_100150723488_100000749529 [0,1,1,0,0,0|2,0,0]=4 1890 B11R0.81 COCCCNC(=O)CCOC 527a_100150723488_100000749529 [0,1,1,0,0,0|2,0,0]=4 1891 B11R0.81 COCCCNC(=O)CCSC 1626a_100150723488_100000174002 [0,1,1,0,0,0|2,0,0]=4 1892 B11R0.81 COCCCNC(=O)CCSC 240690a_100150723488_100000174002 [0,1,1,0,0,0|2,0,0]=4 1893 B11R0.81 COCCCNC(=O)CCSC 527a_100150723488_100000174002 [0,1,1,0,0,0|2,0,0]=4 1894 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,1,1,0,0,0|2,0,0]=4 1895 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,1,1,0,0,0|2,0,0]=4 1896 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,1,1,0,0,0|2,0,0]=4 1897 B11R0.81 CSCCC(=O)NCCCCO 240690a_100000750430_100000174002 [0,1,1,0,0,0|2,0,0]=4 1898 B11R0.81 CSCCC(=O)NCCCCO 527a_100000750430_100000174002 [0,1,1,0,0,0|2,0,0]=4 1899 B11R0.81 CSCCCNC(=O)CCSC 11a_100000749238_100000174002 [0,1,1,0,0,0|2,0,0]=4 1900 B11R0.81 CSCCCNC(=O)CCSC 1626a_100000749238_100000174002 [0,1,1,0,0,0|2,0,0]=4 1901 B11R0.81 CSCCCNC(=O)CCSC 240690a_100000749238_100000174002 [0,1,1,0,0,0|2,0,0]=4 1902 B11R0.81 CSCCCNC(=O)CCSC 527a_100000749238_100000174002 [0,1,1,0,0,0|2,0,0]=4 1903 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,1,1,0,0,0|2,0,0]=4 1904 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,1,1,0,0,0|2,0,0]=4 1905 B11R0.142 CCC(C)C(=O)CCCCCF 1458a_100011192722_100000729378 [0,1,1,0,0,0|2,0,0]=4 1906 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100011192722_100000746330 [0,1,1,0,0,0|2,0,0]=4 1907 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100102619762_100000758301 [0,1,1,0,0,0|2,0,0]=4 1908 B11R0.142 CCC(C)C(=O)CCCCOC 1458a_100011192722_100000755781 [0,1,1,0,0,0|2,0,0]=4 1909 B11R0.142 CCC(C)C(=O)NCCCCO 240690a_100000750430_100011192722 [0,1,1,0,0,0|2,0,0]=4 1910 B11R0.142 CCC(C)C(=O)NCCCCO 527a_100000750430_100011192722 [0,1,1,0,0,0|2,0,0]=4 1911 B11R0.142 CCC(C)C(=O)NCCCOC 1626a_100150723488_100011192722 [0,1,1,0,0,0|2,0,0]=4 1912 B11R0.142 CCC(C)C(=O)NCCCOC 240690a_100150723488_100011192722 [0,1,1,0,0,0|2,0,0]=4 1913 B11R0.142 CCC(C)C(=O)NCCCOC 527a_100150723488_100011192722 [0,1,1,0,0,0|2,0,0]=4 1914 B11R0.142 CCC(C)C(=O)NCCCSC 11a_100000749238_100011192722 [0,1,1,0,0,0|2,0,0]=4 1915 B11R0.142 CCC(C)C(=O)NCCCSC 1626a_100000749238_100011192722 [0,1,1,0,0,0|2,0,0]=4 1916 B11R0.142 CCC(C)C(=O)NCCCSC 240690a_100000749238_100011192722 [0,1,1,0,0,0|2,0,0]=4 1917 B11R0.142 CCC(C)C(=O)NCCCSC 527a_100000749238_100011192722 [0,1,1,0,0,0|2,0,0]=4 1918 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [0,1,1,0,0,0|2,0,0]=4 1919 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [0,1,1,0,0,0|2,0,0]=4 1920 B11R0.142 CCC(O)C(=O)CCCCOC 1458a_100011196387_100000755781 [0,1,1,0,0,0|2,0,0]=4 1921 B11R0.142 CCC(O)C(=O)NCCCCO 240690a_100000750430_100011196387 [0,1,1,0,0,0|2,0,0]=4 1922 B11R0.142 CCC(O)C(=O)NCCCOC 240690a_100150723488_100011196387 [0,1,1,0,0,0|2,0,0]=4 1923 B11R0.142 CCC(O)C(=O)NCCCSC 240690a_100000749238_100011196387 [0,1,1,0,0,0|2,0,0]=4 1924 B11R0.142 CCCCC=CC(=O)C(C)CC 1458a_100016266645_100000758301 [0,1,1,0,0,0|1,0,1]=4 1925 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,1,1,0,0,0|1,0,0]=3 1926 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,1,1,0,0,0|1,0,0]=3 1927 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [0,1,1,0,0,0|2,0,0]=4 1928 B11R0.142 CCCCCCC(=O)C(C)SC 1458a_100000149566_100000210757 [0,1,1,0,0,0|2,0,0]=4 1929 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,1,1,0,0,0|1,0,0]=3 1930 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,1,1,0,0,0|2,0,0]=4 1931 B11R0.142 CCCCCCC(=O)N(C)CC 11a_100000225621_100102632555 [0,1,1,0,0,0|2,0,0]=4 1932 B11R0.142 CCCCCCC(=O)N(C)CC 1626a_100000225621_100102632555 [0,1,1,0,0,0|2,0,0]=4 1933 B11R0.142 CCCCCCC(=O)N(C)CC 240690a_100000225621_100102632555 [0,1,1,0,0,0|2,0,0]=4 1934 B11R0.142 CCCCCCC(=O)N(C)CC 527a_100000225621_100102632555 [0,1,1,0,0,0|2,0,0]=4 1935 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [0,1,1,0,0,0|1,0,0]=3 1936 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [0,1,1,0,0,0|1,0,0]=3 1937 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [0,1,1,0,0,0|1,0,0]=3 1938 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [0,1,1,0,0,0|1,0,0]=3 1939 B11R0.142 CCCCCNC(=O)C(C)NC 2230a_106832991635_100000735910 [0,1,1,0,0,0|2,0,0]=4 1940 B11R0.142 CCCCCNC(=O)C(C)NC 7a_106832991635_100000735910 [0,1,1,0,0,0|2,0,0]=4 1941 B11R0.142 CCCCCNC(=O)C(C)OC 11a_100000209983_100000743197 [0,1,1,0,0,0|2,0,0]=4 1942 B11R0.142 CCCCCNC(=O)C(C)OC 1626a_100000209983_100000743197 [0,1,1,0,0,0|2,0,0]=4 1943 B11R0.142 CCCCCNC(=O)C(C)OC 240690a_100000209983_100000743197 [0,1,1,0,0,0|2,0,0]=4 1944 B11R0.142 CCCCCNC(=O)C(C)OC 527a_100000209983_100000743197 [0,1,1,0,0,0|2,0,0]=4 1945 B11R0.142 CCCCCNC(=O)C(C)SC 11a_100000209983_100000149566 [0,1,1,0,0,0|2,0,0]=4 1946 B11R0.142 CCCCCNC(=O)C(C)SC 1626a_100000209983_100000149566 [0,1,1,0,0,0|2,0,0]=4 1947 B11R0.142 CCCCCNC(=O)C(C)SC 240690a_100000209983_100000149566 [0,1,1,0,0,0|2,0,0]=4 1948 B11R0.142 CCCCCNC(=O)C(C)SC 527a_100000209983_100000149566 [0,1,1,0,0,0|2,0,0]=4 1949 B11R0.142 CCCCCNC(=O)C(C)SC 62a_100000735910_200000210301 [0,1,1,0,0,0|2,0,0]=4 1950 B11R0.142 CCCCCNC(=O)C(C)SC 62a_200000210301_100000735910 [0,1,1,0,0,0|2,0,0]=4 1951 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_100000735910_200025704644 [0,1,1,0,0,0|2,0,0]=4 1952 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735910 [0,1,1,0,0,0|2,0,0]=4 1953 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [0,1,1,0,0,0|1,0,0]=3 1954 B11R0.142 CCCCCNC(=O)C(O)CO 240690a_100000209983_100011215603 [0,1,1,0,0,0|2,0,0]=4 1955 B11R0.142 CCCCCNC(=O)N(C)CC 2708a_100000209983_100000225621 [0,1,1,0,0,0|2,0,0]=4 1956 B11R0.142 CCCCCNC(=O)N(C)CC 273464a_100000209983_100000225621 [0,1,1,0,0,0|2,0,0]=4 1957 B11R0.142 CCCCCOC(C)C(C)CC 7a_100011215189_100000210326 [0,1,1,0,0,0|1,0,1]=4 1958 B11R0.142 CCCCNNC(=O)C(C)CC 22a_100025702795_100011192722 [0,1,1,0,0,0|2,0,0]=4 1959 B11R0.142 CCCCNNC(=O)C(O)CC 22a_100025702795_100011196387 [0,1,1,0,0,0|2,0,0]=4 1960 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100000757543_100000758301 [0,1,1,0,0,0|2,0,0]=4 1961 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100011192722_100011995733 [0,1,1,0,0,0|2,0,0]=4 1962 B11R0.142 CCCCOCC(=O)C(O)CC 1458a_100011196387_100011995733 [0,1,1,0,0,0|2,0,0]=4 1963 B11R0.142 CCCCSCC(=O)C(C)CC 1458a_100000191162_100000758301 [0,1,1,0,0,0|2,0,0]=4 1964 B11R0.142 CCCOCCC(=O)C(C)CC 1458a_100011192722_100011215938 [0,1,1,0,0,0|2,0,0]=4 1965 B11R0.142 CCCOCCC(=O)C(O)CC 1458a_100011196387_100011215938 [0,1,1,0,0,0|2,0,0]=4 1966 B11R0.142 CCOCCCC(=O)C(C)CC 1458a_100011192722_100012232248 [0,1,1,0,0,0|2,0,0]=4 1967 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [0,1,1,0,0,0|2,0,0]=4 1968 B11R0.142 CCOCCNC(=O)C(C)CC 11a_100011200944_100011192722 [0,1,1,0,0,0|2,0,0]=4 1969 B11R0.142 CCOCCNC(=O)C(C)CC 1626a_102516460346_100011192722 [0,1,1,0,0,0|2,0,0]=4 1970 B11R0.142 CCOCCNC(=O)C(C)CC 240690a_100011200944_100011192722 [0,1,1,0,0,0|2,0,0]=4 1971 B11R0.142 CCOCCNC(=O)C(C)CC 527a_100011200944_100011192722 [0,1,1,0,0,0|2,0,0]=4 1972 B11R0.142 CCOCCNC(=O)C(O)CC 240690a_100011200944_100011196387 [0,1,1,0,0,0|2,0,0]=4 1973 B11R0.142 CCSCCNC(=O)C(C)CC 11a_100000106463_100011192722 [0,1,1,0,0,0|2,0,0]=4 1974 B11R0.142 CCSCCNC(=O)C(C)CC 1626a_100000106463_100011192722 [0,1,1,0,0,0|2,0,0]=4 1975 B11R0.142 CCSCCNC(=O)C(C)CC 240690a_100000106463_100011192722 [0,1,1,0,0,0|2,0,0]=4 1976 B11R0.142 CCSCCNC(=O)C(C)CC 527a_100000106463_100011192722 [0,1,1,0,0,0|2,0,0]=4 1977 B11R0.142 CCSCCNC(=O)C(O)CC 240690a_100000106463_100011196387 [0,1,1,0,0,0|2,0,0]=4 1978 B11R0.155 CCCC(=O)N(C)CCCCO 240690a_100000717598_100000211992 [0,1,1,0,0,0|2,0,0]=4 1979 B11R0.155 CCCC(=O)N(C)CCCOC 11a_100000224831_100000211992 [0,1,1,0,0,0|2,0,0]=4 1980 B11R0.155 CCCC(=O)N(C)CCCOC 1626a_100000224831_100000211992 [0,1,1,0,0,0|2,0,0]=4 1981 B11R0.155 CCCC(=O)N(C)CCCOC 240690a_100000224831_100000211992 [0,1,1,0,0,0|2,0,0]=4 1982 B11R0.155 CCCC(=O)N(C)CCCOC 527a_100000224831_100000211992 [0,1,1,0,0,0|2,0,0]=4 1983 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [0,1,1,0,0,0|2,0,0]=4 1984 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,1,1,0,0,0|1,0,0]=3 1985 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,1,1,0,0,0|1,0,0]=3 1986 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [0,1,1,0,0,0|2,0,0]=4 1987 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,1,1,0,0,0|2,0,0]=4 1988 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,1,1,0,0,0|2,0,0]=4 1989 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,1,1,0,0,0|2,0,0]=4 1990 B11R0.155 CCCCCC(C)C(=O)CSC 1458a_100000184570_200011218191 [0,1,1,0,0,0|2,0,0]=4 1991 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [0,1,1,0,0,0|2,0,0]=4 1992 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [0,1,1,0,0,0|2,0,0]=4 1993 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [0,1,1,0,0,0|2,0,0]=4 1994 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,1,1,0,0,0|1,0,0]=3 1995 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,1,1,0,0,0|1,0,0]=3 1996 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,1,1,0,0,0|1,0,0]=3 1997 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,1,1,0,0,0|1,0,0]=3 1998 B11R0.155 CCCCCN(C)C(=O)CCO 240690a_100000223495_100011216618 [0,1,1,0,0,0|2,0,0]=4 1999 B11R0.155 CCCCCN(C)C(=O)COC 11a_100000223495_100000210968 [0,1,1,0,0,0|2,0,0]=4 2000 B11R0.155 CCCCCN(C)C(=O)COC 1626a_100000223495_100000210968 [0,1,1,0,0,0|2,0,0]=4 2001 B11R0.155 CCCCCN(C)C(=O)COC 240690a_100000223495_100000210968 [0,1,1,0,0,0|2,0,0]=4 2002 B11R0.155 CCCCCN(C)C(=O)COC 527a_100000223495_100000210968 [0,1,1,0,0,0|2,0,0]=4 2003 B11R0.155 CCCCCN(C)C(=O)CSC 11a_100000223495_100000184570 [0,1,1,0,0,0|2,0,0]=4 2004 B11R0.155 CCCCCN(C)C(=O)CSC 1626a_100000223495_100000184570 [0,1,1,0,0,0|2,0,0]=4 2005 B11R0.155 CCCCCN(C)C(=O)CSC 240690a_100000223495_100000184570 [0,1,1,0,0,0|2,0,0]=4 2006 B11R0.155 CCCCCN(C)C(=O)CSC 527a_100000223495_100000184570 [0,1,1,0,0,0|2,0,0]=4 2007 B11R0.155 CCCCCN(C)C(=O)NCC 2708a_100015525214_100000223495 [0,1,1,0,0,0|2,0,0]=4 2008 B11R0.155 CCCCCN(C)C(=O)NCC 273464a_100015525214_100000223495 [0,1,1,0,0,0|2,0,0]=4 2009 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [0,1,1,0,0,0|2,0,0]=4 2010 B11R0.161 C#CC(CCC)OCCCCC 34a_200011217317_100000718602 [0,1,1,0,0,0|1,0,1]=4 2011 B11R0.161 C#CC(CCC)OCCCCC 7a_200011217317_100000210326 [0,1,1,0,0,0|1,0,1]=4 2012 B11R0.161 C=CC(CCC)OCCCCC 34a_100011216692_100000718602 [0,1,1,0,0,0|1,0,1]=4 2013 B11R0.161 C=CC(CCC)OCCCCC 7a_100011216692_100000210326 [0,1,1,0,0,0|1,0,1]=4 2014 B11R0.161 CCCCCOC(C#N)CCC 34a_100000686963_100000718602 [0,1,1,0,0,0|1,0,1]=4 2015 B11R0.161 CCCCCOC(C#N)CCC 7a_100000686963_100000210326 [0,1,1,0,0,0|1,0,1]=4 2016 B11R0.161 CCCCCOC(CC)CCC 34a_100000687864_100000718602 [0,1,1,0,0,0|1,0,1]=4 2017 B11R0.161 CCCCCOC(CC)CCC 7a_100000210253_100011219200 [0,1,1,0,0,0|1,0,1]=4 2018 B11R0.161 CCCCCOC(CC)CCC 7a_100000687864_100000210326 [0,1,1,0,0,0|1,0,1]=4 2019 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,1,1,0,0,0|2,0,0]=4 2020 B11R0.174 CCC(C)CCNC(=O)COC 11a_100020591266_100000210968 [0,1,1,0,0,0|2,0,0]=4 2021 B11R0.174 CCC(C)CCNC(=O)COC 1626a_100020591266_100000210968 [0,1,1,0,0,0|2,0,0]=4 2022 B11R0.174 CCC(C)CCNC(=O)COC 240690a_100020591266_100000210968 [0,1,1,0,0,0|2,0,0]=4 2023 B11R0.174 CCC(C)CCNC(=O)COC 527a_100020591266_100000210968 [0,1,1,0,0,0|2,0,0]=4 2024 B11R0.174 CCC(C)CCNC(=O)CSC 11a_100020591266_100000184570 [0,1,1,0,0,0|2,0,0]=4 2025 B11R0.174 CCC(C)CCNC(=O)CSC 1626a_100020591266_100000184570 [0,1,1,0,0,0|2,0,0]=4 2026 B11R0.174 CCC(C)CCNC(=O)CSC 240690a_100020591266_100000184570 [0,1,1,0,0,0|2,0,0]=4 2027 B11R0.174 CCC(C)CCNC(=O)CSC 527a_100020591266_100000184570 [0,1,1,0,0,0|2,0,0]=4 2028 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,1,1,0,0,0|2,0,0]=4 2029 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [0,1,1,0,0,0|2,0,0]=4 2030 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,1,1,0,0,0|2,0,0]=4 2031 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [0,1,1,0,0,0|2,0,0]=4 2032 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [0,1,1,0,0,0|2,0,0]=4 2033 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [0,1,1,0,0,0|2,0,0]=4 2034 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,1,1,0,0,0|2,0,0]=4 2035 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,1,1,0,0,0|2,0,0]=4 2036 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [0,1,1,0,0,0|2,0,0]=4 2037 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [0,1,1,0,0,0|2,0,0]=4 2038 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,1,1,0,0,0|1,0,0]=3 2039 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,1,1,0,0,0|1,0,0]=3 2040 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,1,1,0,0,0|1,0,0]=3 2041 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,1,1,0,0,0|1,0,0]=3 2042 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,1,1,0,0,0|2,0,0]=4 2043 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,1,1,0,0,0|2,0,0]=4 2044 B11R0.174 CCCC(=O)NNCC(O)CC 22a_100015206393_100000211992 [0,1,1,0,0,0|2,0,0]=4 2045 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [0,1,1,0,0,0|1,0,0]=3 2046 B11R0.174 CCCC(=O)OCN[C@H](C)CO 2230a_100000737577_100000034017 [0,1,1,0,0,0|2,0,0]=4 2047 B11R0.174 CCCC(=O)OCOC(C)CF 34a_100016041109_100000034017 [0,1,1,0,0,0|2,0,0]=4 2048 B11R0.174 CCCC(=O)OCOC(C)CN 34a_100000210904_100000034017 [0,1,1,0,0,0|2,0,0]=4 2049 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [0,1,1,0,0,0|1,0,0]=3 2050 B11R0.174 CCCC(=O)OCSC(C)CO 62a_100012180447_100000034017 [0,1,1,0,0,0|2,0,0]=4 2051 B11R0.174 CCCC(=O)OCSC(C)OC 62a_100009879195_100000034017 [0,1,1,0,0,0|2,0,0]=4 2052 B11R0.174 CCCC(=O)OCS[C@H](C)CO 62a_100016084084_100000034017 [0,1,1,0,0,0|2,0,0]=4 2053 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,1,1,0,0,0|1,0,1]=4 2054 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100015525214_100020591266 [0,1,1,0,0,0|2,0,0]=4 2055 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100020591266_100015525214 [0,1,1,0,0,0|2,0,0]=4 2056 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100015525214_100020591266 [0,1,1,0,0,0|2,0,0]=4 2057 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100020591266_100015525214 [0,1,1,0,0,0|2,0,0]=4 2058 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100015525214_100020591266 [0,1,1,0,0,0|2,0,0]=4 2059 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100020591266_100015525214 [0,1,1,0,0,0|2,0,0]=4 2060 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [0,1,1,0,0,0|2,0,0]=4 2061 B11R0.176 C=C(C)COCOC(=O)CCC 34a_100000210245_100000034017 [0,1,1,0,0,0|1,0,1]=4 2062 B11R0.176 C=C(C)CSCOC(=O)CCC 62a_100000748629_100000034017 [0,1,1,0,0,0|1,0,1]=4 2063 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,1,1,0,0,0|2,0,0]=4 2064 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,1,1,0,0,0|2,0,0]=4 2065 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,1,1,0,0,0|2,0,0]=4 2066 B11R0.176 CC(C)CCCNC(=O)CCO 240690a_200000737386_100011216618 [0,1,1,0,0,0|2,0,0]=4 2067 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,1,1,0,0,0|1,0,1]=4 2068 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,1,1,0,0,0|1,0,0]=3 2069 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,1,1,0,0,0|1,0,0]=3 2070 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,1,1,0,0,0|2,0,0]=4 2071 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,1,1,0,0,0|2,0,0]=4 2072 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,1,1,0,0,0|2,0,0]=4 2073 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,1,1,0,0,0|2,0,0]=4 2074 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,1,1,0,0,0|2,0,0]=4 2075 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,1,1,0,0,0|2,0,0]=4 2076 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,1,1,0,0,0|1,0,0]=3 2077 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,1,1,0,0,0|1,0,0]=3 2078 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,1,1,0,0,0|1,0,0]=3 2079 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,1,1,0,0,0|1,0,0]=3 2080 B11R0.176 CCCC(=O)NCCCN(C)C 240690a_102531767803_100000211992 [0,1,1,0,0,0|2,0,0]=4 2081 B11R0.176 CCCC(=O)NCCCN(C)C 527a_102531767803_100000211992 [0,1,1,0,0,0|2,0,0]=4 2082 B11R0.176 CCCC(=O)NCCCS(=O)C 11a_200000753449_100000211992 [0,1,1,0,0,0|2,0,0]=4 2083 B11R0.176 CCCC(=O)NCCCS(=O)C 240690a_200000753449_100000211992 [0,1,1,0,0,0|2,0,0]=4 2084 B11R0.176 CCCC(=O)NCCCS(=O)C 527a_200000753449_100000211992 [0,1,1,0,0,0|2,0,0]=4 2085 B11R0.176 CCCC(=O)NCCOC(C)C 11a_100000701111_100000211992 [0,1,1,0,0,0|2,0,0]=4 2086 B11R0.176 CCCC(=O)NCCOC(C)C 1626a_100000701111_100000211992 [0,1,1,0,0,0|2,0,0]=4 2087 B11R0.176 CCCC(=O)NCCOC(C)C 240690a_100000701111_100000211992 [0,1,1,0,0,0|2,0,0]=4 2088 B11R0.176 CCCC(=O)NCCOC(C)C 527a_100000701111_100000211992 [0,1,1,0,0,0|2,0,0]=4 2089 B11R0.176 CCCC(=O)NCCSC(C)C 11a_100000731138_100000211992 [0,1,1,0,0,0|2,0,0]=4 2090 B11R0.176 CCCC(=O)NCCSC(C)C 1626a_100000731138_100000211992 [0,1,1,0,0,0|2,0,0]=4 2091 B11R0.176 CCCC(=O)NCCSC(C)C 240690a_100000731138_100000211992 [0,1,1,0,0,0|2,0,0]=4 2092 B11R0.176 CCCC(=O)NCCSC(C)C 527a_100000731138_100000211992 [0,1,1,0,0,0|2,0,0]=4 2093 B11R0.176 CCCC(=O)OCNCC(C)C 2230a_100000210953_100000034017 [0,1,1,0,0,0|1,0,0]=3 2094 B11R0.176 CCCC(=O)OCNCC(C)C 34a_100000210953_100000034017 [0,1,1,0,0,0|1,0,0]=3 2095 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [0,1,1,0,0,0|1,0,0]=3 2096 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [0,1,1,0,0,0|1,0,0]=3 2097 B11R0.176 CCCC(=O)OCNCC(F)F 34a_100000765723_100000034017 [0,1,1,0,0,0|2,0,0]=4 2098 B11R0.176 CCCC(=O)OCOCC(=O)C 34a_100000211253_100000034017 [0,1,1,0,0,0|1,0,1]=4 2099 B11R0.176 CCCC(=O)OCOCC(C)Br 34a_100012180447_100000034017 [0,1,1,0,0,0|1,0,0]=3 2100 B11R0.176 CCCC(=O)OCOCC(C)C 34a_100000210257_100000034017 [0,1,1,0,0,0|1,0,0]=3 2101 B11R0.176 CCCC(=O)OCOCC(C)F 34a_100015925927_100000034017 [0,1,1,0,0,0|1,0,0]=3 2102 B11R0.176 CCCC(=O)OCOCC(F)F 34a_100000743014_100000034017 [0,1,1,0,0,0|2,0,0]=4 2103 B11R0.176 CCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100000034017 [0,1,1,0,0,0|1,0,0]=3 2104 B11R0.176 CCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100000034017 [0,1,1,0,0,0|1,0,0]=3 2105 B11R0.176 CCCC(=O)OCSCC(C)C 62a_100000210624_100000034017 [0,1,1,0,0,0|1,0,0]=3 2106 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [0,1,1,0,0,0|1,0,0]=3 2107 B11R0.176 CCCC(=O)OCSCC(F)F 62a_100011934356_100000034017 [0,1,1,0,0,0|2,0,0]=4 2108 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [0,1,1,0,0,0|1,0,0]=3 2109 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000210774_100000766640 [0,1,1,0,0,0|1,0,1]=4 2110 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000764384_100011214892 [0,1,1,0,0,0|1,0,1]=4 2111 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000210774_100000766640 [0,1,1,0,0,0|1,0,1]=4 2112 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000764384_100011214892 [0,1,1,0,0,0|1,0,1]=4 2113 B11R0.176 CCCC(C)OCCCC(C)O 34a_100000764384_200000718107 [0,1,1,0,0,0|1,0,1]=4 2114 B11R0.176 CCCC(C)OCCCC(C)O 7a_100000764384_200000718107 [0,1,1,0,0,0|1,0,1]=4 2115 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [0,1,1,0,0,0|2,0,0]=4 2116 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [0,1,1,0,0,0|2,0,0]=4 2117 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [0,1,1,0,0,0|2,0,0]=4 2118 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_100015525214_200000737386 [0,1,1,0,0,0|2,0,0]=4 2119 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_200000737386_100015525214 [0,1,1,0,0,0|2,0,0]=4 2120 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_100015525214_200000737386 [0,1,1,0,0,0|2,0,0]=4 2121 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_200000737386_100015525214 [0,1,1,0,0,0|2,0,0]=4 2122 B11R0.176 CCNC(=O)NCCCC(C)C 512a_100015525214_200000737386 [0,1,1,0,0,0|2,0,0]=4 2123 B11R0.176 CCNC(=O)NCCCC(C)C 512a_200000737386_100015525214 [0,1,1,0,0,0|2,0,0]=4 2124 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [0,1,1,0,0,0|2,0,0]=4 2125 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [0,1,1,0,0,0|2,0,0]=4 2126 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [0,1,1,0,0,0|2,0,0]=4 2127 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [0,1,1,0,0,0|2,0,0]=4 2128 B11R0.176 COCC(=O)NCCCC(C)C 11a_200000737386_100000210968 [0,1,1,0,0,0|2,0,0]=4 2129 B11R0.176 COCC(=O)NCCCC(C)C 1626a_200000737386_100000210968 [0,1,1,0,0,0|2,0,0]=4 2130 B11R0.176 COCC(=O)NCCCC(C)C 240690a_200000737386_100000210968 [0,1,1,0,0,0|2,0,0]=4 2131 B11R0.176 COCC(=O)NCCCC(C)C 527a_200000737386_100000210968 [0,1,1,0,0,0|2,0,0]=4 2132 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [0,1,1,0,0,0|2,0,0]=4 2133 B11R0.176 CSCC(=O)NCCCC(C)C 11a_200000737386_100000184570 [0,1,1,0,0,0|2,0,0]=4 2134 B11R0.176 CSCC(=O)NCCCC(C)C 1626a_200000737386_100000184570 [0,1,1,0,0,0|2,0,0]=4 2135 B11R0.176 CSCC(=O)NCCCC(C)C 240690a_200000737386_100000184570 [0,1,1,0,0,0|2,0,0]=4 2136 B11R0.176 CSCC(=O)NCCCC(C)C 527a_200000737386_100000184570 [0,1,1,0,0,0|2,0,0]=4 2137 B11R0.304 CCCCCNS(=O)(=O)CCC 270084a_100000209983_100000211391 [0,1,1,0,0,0|2,0,0]=4 2138 B11R0.304 CCCCCNS(=O)(=O)CCC 274078a_100000209983_100000211391 [0,1,1,0,0,0|2,0,0]=4 2139 B11R0.304 CCCCCNS(=O)(=O)CCC 40a_100000209983_100000054278 [0,1,1,0,0,0|2,0,0]=4 2140 B11R0.304 CCCCCOC(C)(C)CCC 7a_100000748436_100000210326 [0,1,1,0,0,0|1,0,1]=4 2141 B11R0.1 CCCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747444 [0,1,1,0,0,0|1,0,1]=4 2142 B11R0.1 CCCC(C)CN(C)CC(=O)N 2230a_100000739694_100011216630 [0,1,1,0,0,0|2,0,0]=4 2143 B11R0.1 CCCC(C)CN(C)CC(=O)N 270004a_100000739694_100000243154 [0,1,1,0,0,0|2,0,0]=4 2144 B11R0.1 CCCC(C)CN(C)CC(=O)O 269956a_100000746989_100011216630 [0,1,1,0,0,0|1,0,0]=3 2145 B11R0.1 COCC(O)CN(C)CC(=O)O 269956a_100000746989_100011215053 [0,1,1,0,0,0|2,0,0]=4 2146 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,1,1,0,0,0|1,0,1]=4 2147 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,1,1,0,0,0|2,0,0]=4 2148 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,1,1,0,0,0|2,0,0]=4 2149 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,1,1,0,0,0|2,0,0]=4 2150 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,1,1,0,0,0|2,0,0]=4 2151 B11R0.6 CC(C)CCCN(C)CC(=O)N 2230a_100000739694_100011214892 [0,1,1,0,0,0|2,0,0]=4 2152 B11R0.6 CC(C)CCCN(C)CC(=O)O 269956a_100000746989_100011214892 [0,1,1,0,0,0|1,0,0]=3 2153 B11R0.6 CC(C)CNCC(O)CC(=O)O 269956a_100011218706_100000210760 [0,1,1,0,0,0|2,0,0]=4 2154 B11R0.6 CC(C)OCCN(C)CC(=O)O 269956a_100000746989_100000211751 [0,1,1,0,0,0|2,0,0]=4 2155 B11R0.6 CC(C)SCCN(C)CC(=O)O 269956a_100000746989_100000730970 [0,1,1,0,0,0|2,0,0]=4 2156 B11R0.6 CC(O)CCCN(C)CC(=O)N 2230a_100000739694_200000718107 [0,1,1,0,0,0|2,0,0]=4 2157 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [0,1,1,0,0,0|1,0,0]=3 2158 B11R0.6 CC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218427 [0,1,1,0,0,0|2,0,0]=4 2159 B11R0.6 CN(C)CCCN(C)CC(=O)O 269956a_100000746989_100000757444 [0,1,1,0,0,0|2,0,0]=4 2160 B11R0.6 C[C@@H](O)CNCC(O)CC(=O)O 269956a_100011218706_100009817552 [0,1,1,0,0,0|2,0,0]=4 2161 B11R0.68 CCCCC(C)N(C)CC(=O)N 2230a_100000739694_200011215066 [0,1,1,0,0,0|2,0,0]=4 2162 B11R0.68 CCCCC(C)N(C)CC(=O)N 270004a_100000739694_100000210087 [0,1,1,0,0,0|2,0,0]=4 2163 B11R0.68 CCCCC(C)N(C)CC(=O)O 269956a_100000746989_200011215066 [0,1,1,0,0,0|1,0,0]=3 2164 B11R0.77 CCCCCN(CC)CC(=O)O 269956a_100000746405_100000210326 [0,1,1,0,0,0|1,0,0]=3 2165 B11R0.77 CCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210326 [0,1,1,0,0,0|1,0,1]=4 2166 B11R0.77 CCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210211 [0,1,1,0,0,0|1,0,0]=3 2167 B11R0.77 CCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210211 [0,1,1,0,0,0|1,0,0]=3 2168 B11R0.77 CCN(CCCCF)CC(=O)O 269956a_100000746405_100000729493 [0,1,1,0,0,0|2,0,0]=4 2169 B11R0.77 CCN(CCCCO)CC(=O)O 269956a_100000746405_100000210776 [0,1,1,0,0,0|2,0,0]=4 2170 B11R0.77 CCN(CCCOC)CC(=O)O 269956a_100000746405_100000740836 [0,1,1,0,0,0|2,0,0]=4 2171 B11R0.77 CCOCCN(CC)CC(=O)O 269956a_100000746405_100000210147 [0,1,1,0,0,0|2,0,0]=4 2172 B11R0.77 CCOCN[C@H](CC)CC(=O)O 269956a_100016995926_100000739092 [0,1,1,0,0,0|2,0,0]=4 2173 B11R0.77 CCOCN[C@H](CO)CC(=O)O 269956a_100009816507_100000739092 [0,1,1,0,0,0|2,0,0]=4 2174 B11R0.77 CCSCCN(CC)CC(=O)O 269956a_100000746405_100000757381 [0,1,1,0,0,0|2,0,0]=4 2175 B11R0.77 CC[C@H](CC(=O)O)NCCCF 269956a_100016995926_100011934791 [0,1,1,0,0,0|2,0,0]=4 2176 B11R0.77 CC[C@H](CC(=O)O)NCCCO 269956a_100016995926_100011215043 [0,1,1,0,0,0|2,0,0]=4 2177 B11R0.77 CC[C@H](CC(=O)O)NCCOC 269956a_100016995926_100000233755 [0,1,1,0,0,0|2,0,0]=4 2178 B11R0.77 CC[C@H](CC(=O)O)NCCSC 269956a_100016995926_100000212216 [0,1,1,0,0,0|2,0,0]=4 2179 B11R0.77 COCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000233755 [0,1,1,0,0,0|2,0,0]=4 2180 B11R0.77 CSCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000212216 [0,1,1,0,0,0|2,0,0]=4 2181 B11R0.77 O=C(O)C[C@@H](CO)NCCCF 269956a_100009816507_100011934791 [0,1,1,0,0,0|2,0,0]=4 2182 B11R0.77 O=C(O)C[C@@H](CO)NCCCO 269956a_100009816507_100011215043 [0,1,1,0,0,0|2,0,0]=4 2183 B11R0.107 CCC(C)NCC(O)CC(=O)O 269956a_100011218706_100000758301 [0,1,1,0,0,0|2,0,0]=4 2184 B11R0.139 CC(C(=O)O)N(C)CCCCF 269956a_100000749554_100000729493 [0,1,1,0,0,0|2,0,0]=4 2185 B11R0.139 CC(C(=O)O)N(C)CCCCO 269956a_100000749554_100000210776 [0,1,1,0,0,0|2,0,0]=4 2186 B11R0.139 CCCCCN(C)C(C)C(=O)C 2230a_100000223495_100009814033 [0,1,1,0,0,0|2,0,0]=4 2187 B11R0.139 CCCCCN(C)C(C)C(=O)C 269982a_100000223495_100009814033 [0,1,1,0,0,0|2,0,0]=4 2188 B11R0.139 CCCCCN(C)C(C)C(=O)N 2230a_100000223495_100000702099 [0,1,1,0,0,0|2,0,0]=4 2189 B11R0.139 CCCCCN(C)C(C)C(=O)N 269982a_100000223495_100000184083 [0,1,1,0,0,0|2,0,0]=4 2190 B11R0.139 CCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210326 [0,1,1,0,0,0|1,0,0]=3 2191 B11R0.139 CCCCCN(C)C(F)C(=O)N 2230a_100000223495_100009813875 [0,1,1,0,0,0|2,0,0]=4 2192 B11R0.139 CCCCCN(C)C(F)C(=O)N 269982a_100000223495_100009813875 [0,1,1,0,0,0|2,0,0]=4 2193 B11R0.139 CCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210210 [0,1,1,0,0,0|2,0,0]=4 2194 B11R0.139 CCOCCN(C)C(C)C(=O)O 269956a_100000749554_100000210147 [0,1,1,0,0,0|2,0,0]=4 2195 B11R0.139 CCSCCN(C)C(C)C(=O)O 269956a_100000749554_100000757381 [0,1,1,0,0,0|2,0,0]=4 2196 B11R0.139 COCCCN(C)C(C)C(=O)O 269956a_100000749554_100000740836 [0,1,1,0,0,0|2,0,0]=4 2197 B11R0.154 C=CC(=O)NC(C)CCCCC 1626a_100000211957_100000185746 [0,1,1,0,0,0|2,0,0]=4 2198 B11R0.154 C=CC(=O)NC(C)CCCCC 240690a_100000211957_200121576911 [0,1,1,0,0,0|2,0,0]=4 2199 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,1,1,0,0,0|1,0,1]=4 2200 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,1,1,0,0,0|1,0,1]=4 2201 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,1,1,0,0,0|1,0,1]=4 2202 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,1,1,0,0,0|2,0,0]=4 2203 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,1,1,0,0,0|2,0,0]=4 2204 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,1,1,0,0,0|2,0,0]=4 2205 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,1,1,0,0,0|2,0,0]=4 2206 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,1,1,0,0,0|1,0,0]=3 2207 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,1,1,0,0,0|1,0,0]=3 2208 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [0,1,1,0,0,0|2,0,0]=4 2209 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [0,1,1,0,0,0|2,0,0]=4 2210 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [0,1,1,0,0,0|2,0,0]=4 2211 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [0,1,1,0,0,0|2,0,0]=4 2212 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [0,1,1,0,0,0|2,0,0]=4 2213 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [0,1,1,0,0,0|2,0,0]=4 2214 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,1,1,0,0,0|2,0,0]=4 2215 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [0,1,1,0,0,0|2,0,0]=4 2216 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [0,1,1,0,0,0|2,0,0]=4 2217 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [0,1,1,0,0,0|2,0,0]=4 2218 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [0,1,1,0,0,0|1,0,0]=3 2219 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [0,1,1,0,0,0|1,0,0]=3 2220 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [0,1,1,0,0,0|1,0,0]=3 2221 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [0,1,1,0,0,0|1,0,0]=3 2222 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [0,1,1,0,0,0|1,0,0]=3 2223 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [0,1,1,0,0,0|1,0,0]=3 2224 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [0,1,1,0,0,0|1,0,0]=3 2225 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [0,1,1,0,0,0|1,0,0]=3 2226 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [0,1,1,0,0,0|1,0,0]=3 2227 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [0,1,1,0,0,0|2,0,0]=4 2228 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [0,1,1,0,0,0|2,0,0]=4 2229 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [0,1,1,0,0,0|2,0,0]=4 2230 B11R0.154 CCOCCN(C)CC(=O)OC 2230a_100000198492_100011215890 [0,1,1,0,0,0|2,0,0]=4 2231 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100000739092_100009817358 [0,1,1,0,0,0|2,0,0]=4 2232 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100009817358_100000739092 [0,1,1,0,0,0|2,0,0]=4 2233 B11R0.154 CCSCCN(C)CC(=O)OC 2230a_100000198492_100000757381 [0,1,1,0,0,0|2,0,0]=4 2234 B11R0.154 COC(=O)CC(C)NCCCF 2230a_100015189416_100009817358 [0,1,1,0,0,0|2,0,0]=4 2235 B11R0.154 COC(=O)CC(C)NCCCF 34a_100015189416_100009817358 [0,1,1,0,0,0|2,0,0]=4 2236 B11R0.154 COC(=O)CC(C)NCCSC 2230a_100020590264_100009817358 [0,1,1,0,0,0|2,0,0]=4 2237 B11R0.154 COC(=O)CC(C)OCCCBr 34a_100011217188_100009817358 [0,1,1,0,0,0|2,0,0]=4 2238 B11R0.154 COC(=O)CC(C)OCCCCl 34a_100000230001_100009817358 [0,1,1,0,0,0|2,0,0]=4 2239 B11R0.154 COC(=O)CC(C)OCCCF 34a_100000759539_100009817358 [0,1,1,0,0,0|2,0,0]=4 2240 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [0,1,1,0,0,0|2,0,0]=4 2241 B11R0.154 COC(=O)CC(C)OCCSC 34a_100000230434_100009817358 [0,1,1,0,0,0|2,0,0]=4 2242 B11R0.154 COC(=O)CC(C)OCCSC 7a_100000230434_100009817358 [0,1,1,0,0,0|2,0,0]=4 2243 B11R0.154 COC(=O)CC(C)SCCCF 62a_100009817358_100011934791 [0,1,1,0,0,0|2,0,0]=4 2244 B11R0.154 COC(=O)CC(C)SCCCF 62a_100011934791_100009817358 [0,1,1,0,0,0|2,0,0]=4 2245 B11R0.154 COC(=O)CC(C)SCCCO 62a_100009817358_100011215043 [0,1,1,0,0,0|2,0,0]=4 2246 B11R0.154 COC(=O)CC(C)SCCCO 62a_100011215043_100009817358 [0,1,1,0,0,0|2,0,0]=4 2247 B11R0.154 COC(=O)CC(C)SCCSC 62a_100000212216_100009817358 [0,1,1,0,0,0|2,0,0]=4 2248 B11R0.154 COC(=O)CC(C)SCCSC 62a_100009817358_100000751147 [0,1,1,0,0,0|2,0,0]=4 2249 B11R0.154 COC(=O)CN(C)CCCCF 2230a_100000198492_100000729493 [0,1,1,0,0,0|2,0,0]=4 2250 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000198492_100000210776 [0,1,1,0,0,0|2,0,0]=4 2251 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000717598_100000747449 [0,1,1,0,0,0|2,0,0]=4 2252 B11R0.154 COC(=O)CN(C)CCCCO 269982a_100000717598_100000747449 [0,1,1,0,0,0|2,0,0]=4 2253 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000198492_100000740836 [0,1,1,0,0,0|2,0,0]=4 2254 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000224831_100000747449 [0,1,1,0,0,0|2,0,0]=4 2255 B11R0.154 COCCCN(C)CC(=O)OC 269982a_100000224831_100000747449 [0,1,1,0,0,0|2,0,0]=4 2256 B11R0.154 COCCNC(C)CC(=O)OC 2230a_100000209980_100009817358 [0,1,1,0,0,0|2,0,0]=4 2257 B11R0.154 COCCOC(C)CC(=O)OC 34a_100000210237_100009817358 [0,1,1,0,0,0|2,0,0]=4 2258 B11R0.154 COCCSC(C)CC(=O)OC 62a_100000233755_100009817358 [0,1,1,0,0,0|2,0,0]=4 2259 B11R0.154 COCCSC(C)CC(=O)OC 62a_100009817358_100000233755 [0,1,1,0,0,0|2,0,0]=4 2260 B11R0.324 CC(C)(CC(=O)O)NCCCF 269956a_100000755897_100011934791 [0,1,1,0,0,0|2,0,0]=4 2261 B11R0.324 CC(C)(CC(=O)O)NCCCO 269956a_100000755897_100011215043 [0,1,1,0,0,0|2,0,0]=4 2262 B11R0.324 CCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210211 [0,1,1,0,0,0|2,0,0]=4 2263 B11R0.324 CCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210211 [0,1,1,0,0,0|1,0,0]=3 2264 B11R0.324 CCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210211 [0,1,1,0,0,0|2,0,0]=4 2265 B11R0.324 CCOCNC(C)(C)CC(=O)O 269956a_100000755897_100000739092 [0,1,1,0,0,0|2,0,0]=4 2266 B11R0.324 COCCNC(C)(C)CC(=O)O 269956a_100000755897_100000233755 [0,1,1,0,0,0|2,0,0]=4 2267 B11R0.324 CSCCNC(C)(C)CC(=O)O 269956a_100000755897_100000212216 [0,1,1,0,0,0|2,0,0]=4 2268 B11R0.191 CCCCC(OC)C(C)CCC 34a_200011217622_200000210301 [0,1,1,0,0,0|1,0,1]=4 2269 B11R0.191 CCCCC(OC)C(C)CCC 7a_200011217622_200000210301 [0,1,1,0,0,0|1,0,1]=4 2270 B11R0.191 CCCCC(O[13CH3])C(C)CCC 34a_200011217622_200025704644 [0,1,1,0,0,0|1,0,1]=4 2271 B11R0.191 CCCCC(O[13CH3])C(C)CCC 7a_200011217622_200025704644 [0,1,1,0,0,0|1,0,1]=4 2272 B11R0.47 CCCCC(CCC)OC(C)C 34a_100000212225_100000211913 [0,1,1,0,0,0|1,0,1]=4 2273 B11R0.47 CCCCC(CCC)OC(C)C 34a_100011215800_100000210206 [0,1,1,0,0,0|1,0,1]=4 2274 B11R0.47 CCCCC(CCC)OC(C)C 7a_100011215800_100000210206 [0,1,1,0,0,0|1,0,1]=4 2275 B11R0.56 CCCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210303 [0,1,1,0,0,0|1,0,1]=4 2276 B11R0.56 CCCC(C)C(CC)OC(C)C 34a_200011218412_100000210206 [0,1,1,0,0,0|1,0,1]=4 2277 B11R0.56 CCCC(C)C(CC)OC(C)C 7a_200011218412_100000210206 [0,1,1,0,0,0|1,0,1]=4 2278 B11R0.91 CCC(C)CC(CC)OC(C)C 7a_200011216566_100000210206 [0,1,1,0,0,0|1,0,1]=4 2279 B11R0.143 CCC(CCC(C)C)OC(C)C 34a_100011216567_100000210206 [0,1,1,0,0,0|1,0,1]=4 2280 B11R0.143 CCC(CCC(C)C)OC(C)C 7a_100011216567_100000210206 [0,1,1,0,0,0|1,0,1]=4 2281 B11R0.160 CCCCC(NC(=O)C)C(=O)C 1458a_100000194794_200000210301 [0,1,1,0,0,0|1,0,1]=4 2282 B11R0.160 CCCCC(NC(=O)C)C(=O)[13CH3] 1458a_100000194794_200025704644 [0,1,1,0,0,0|1,0,1]=4 2283 B11R0.162 C=C(C)C(=O)C(CC)CCCC 1458a_100000185857_200011216223 [0,1,1,0,0,0|2,0,0]=4 2284 B11R0.162 CCCCN(CC)C(C)C(=O)C 2230a_100000207695_100009814033 [0,1,1,0,0,0|2,0,0]=4 2285 B11R0.162 CCCCN(CC)C(C)C(=O)C 269982a_100000207695_100009814033 [0,1,1,0,0,0|2,0,0]=4 2286 B11R0.166 C#CC(=O)CC(CC)CCCC 1458a_100000211873_100000211942 [0,1,1,0,0,0|1,0,1]=4 2287 B11R0.166 C#CC(C)OC(CC)CCCC 34a_100011215227_200000035995 [0,1,1,0,0,0|1,0,1]=4 2288 B11R0.166 C#C[C@@H](C)OC(CC)CCCC 34a_100009815206_200011216223 [0,1,1,0,0,0|1,0,1]=4 2289 B11R0.166 C#C[C@@H](C)OC(CC)CCCC 7a_100009815206_200011216223 [0,1,1,0,0,0|1,0,1]=4 2290 B11R0.166 C=CC(=O)CC(CC)CCCC 1458a_100000185746_100000211942 [0,1,1,0,0,0|1,0,1]=4 2291 B11R0.166 C=CC(C)OC(CC)CCCC 34a_100000695699_200011216223 [0,1,1,0,0,0|1,0,1]=4 2292 B11R0.166 CCCCC(CC)CC(=O)CC 1458a_100000210414_100000211942 [0,1,1,0,0,0|1,0,0]=3 2293 B11R0.166 CCCCC(CC)CC(=O)CO 1458a_100000210174_100000211942 [0,1,1,0,0,0|1,0,0]=3 2294 B11R0.166 CCCCC(CC)OC(C)C#N 34a_100011218135_200011216223 [0,1,1,0,0,0|1,0,1]=4 2295 B11R0.166 CCCCC(CC)OC(C)C#N 7a_100011215227_100000703298 [0,1,1,0,0,0|1,0,1]=4 2296 B11R0.166 CCCCC(CC)OC(C)CC 34a_100011215227_100011215416 [0,1,1,0,0,0|1,0,1]=4 2297 B11R0.166 CCCCC(CC)OC(C)CC 7a_100000210228_200011216223 [0,1,1,0,0,0|1,0,1]=4 2298 B11R0.166 CCCCC(CC)OC(C)CC 7a_100011215227_100000758301 [0,1,1,0,0,0|1,0,1]=4 2299 B11R0.166 CCCCC(CC)OC(C)CF 34a_100016041109_200011216223 [0,1,1,0,0,0|1,0,1]=4 2300 B11R0.166 CCCCC(CC)OC(C)CF 7a_100016041109_200011216223 [0,1,1,0,0,0|1,0,1]=4 2301 B11R0.166 CCCCC(CC)OC(C)CN 34a_100000210904_200011216223 [0,1,1,0,0,0|1,0,1]=4 2302 B11R0.166 CCCCC(CC)OC(C)CO 34a_100011215227_100012180447 [0,1,1,0,0,0|0,0,2]=4 2303 B11R0.166 CCCCC(CC)OC(C)CO 7a_100011215227_100012180447 [0,1,1,0,0,0|0,0,2]=4 2304 B11R0.166 CCCCN(CC)CC(=O)CC 269982a_100000207695_100000747405 [0,1,1,0,0,0|2,0,0]=4 2305 B11R0.166 CCCCN(CC)CC(=O)NC 2230a_100000207695_100000183359 [0,1,1,0,0,0|2,0,0]=4 2306 B11R0.166 CCCCN(CC)CC(=O)NC 269982a_100000207695_100000183359 [0,1,1,0,0,0|2,0,0]=4 2307 B11R0.166 CCCCN(CC)CC(=O)OC 2230a_100000207695_100000747449 [0,1,1,0,0,0|2,0,0]=4 2308 B11R0.166 CCCCN(CC)CC(=O)OC 269982a_100000207695_100000747449 [0,1,1,0,0,0|2,0,0]=4 2309 B11R0.166 CCCC[C@@H](CO)NC(=O)CC 240690a_100011934283_100000210414 [0,1,1,0,0,0|2,0,0]=4 2310 B11R0.166 CCCC[C@@H](CO)NC(=O)CC 527a_100011934283_100000210414 [0,1,1,0,0,0|2,0,0]=4 2311 B11R0.166 CCCC[C@@H](CO)NC(=O)CO 240690a_100011934283_100000210174 [0,1,1,0,0,0|2,0,0]=4 2312 B11R0.166 CCCC[C@@H](CO)NC(=O)CO 527a_100011934283_100000210174 [0,1,1,0,0,0|2,0,0]=4 2313 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 2708a_100102657272_100011934283 [0,1,1,0,0,0|2,0,0]=4 2314 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 273464a_100011934283_100102657272 [0,1,1,0,0,0|2,0,0]=4 2315 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 273464a_100102657272_100011934283 [0,1,1,0,0,0|2,0,0]=4 2316 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 512a_100011934283_100102657272 [0,1,1,0,0,0|2,0,0]=4 2317 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 512a_106832991638_100011934283 [0,1,1,0,0,0|2,0,0]=4 2318 B11R0.166 CCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210303 [0,1,1,0,0,0|2,0,0]=4 2319 B11R0.190 CCCCC(CC)OC(C)(C)C 34a_100011215227_100000210625 [0,1,1,0,0,0|1,0,1]=4 2320 B11R0.190 CCCCC(CC)OC(C)(C)C 34a_100015890283_200011216223 [0,1,1,0,0,0|1,0,1]=4 2321 B11R0.190 CCCCC(CC)OC(C)(C)C 7a_100015890283_200011216223 [0,1,1,0,0,0|1,0,1]=4 2322 B11R0.216 CCCCC(C)(CC)OC(C)C 7a_200011218725_100000210206 [0,1,1,0,0,0|1,0,1]=4 2323 B11R0.36 C=CCNC(CCCC)C(C)C 270004a_100020586998_200011215219 [0,1,1,0,0,0|2,0,0]=4 2324 B11R0.38 CCCCN(CC=O)C(C)CC 2230a_100000207357_200015260668 [0,1,1,0,0,0|2,0,0]=4 2325 B11R0.38 CCCCN(CC=O)C(C)CC 269982a_100000207357_200015260668 [0,1,1,0,0,0|2,0,0]=4 2326 B11R0.57 CCCC(C)C(OCC)C(C)C 34a_200011290769_100000210202 [0,1,1,0,0,0|1,0,1]=4 2327 B11R0.57 CCCC(C)C(OCC)C(C)C 7a_200011290769_100000210202 [0,1,1,0,0,0|1,0,1]=4 2328 B11R0.57 CCCC(C)C(OCF)C(C)C 34a_200011290769_100015361967 [0,1,1,0,0,0|1,0,1]=4 2329 B11R0.57 CCCC(C)C(OCF)C(C)C 7a_200011290769_100015361967 [0,1,1,0,0,0|1,0,1]=4 2330 B11R0.78 C=CCC(OCCCC)C(C)C 34a_200011216146_100000210210 [0,1,1,0,0,0|2,0,0]=4 2331 B11R0.78 C=CCC(OCCCC)C(C)C 7a_200011216146_100000210211 [0,1,1,0,0,0|2,0,0]=4 2332 B11R0.78 CC(C)N(CC=O)CCCCO 2230a_100011521146_200015260668 [0,1,1,0,0,0|2,0,0]=4 2333 B11R0.78 CC(C)N(CC=O)CCCCO 269982a_100011521146_200015260668 [0,1,1,0,0,0|2,0,0]=4 2334 B11R0.78 CCCCCC(OCC)C(C)C 34a_200011216997_100000210202 [0,1,1,0,0,0|1,0,1]=4 2335 B11R0.78 CCCCCC(OCC)C(C)C 7a_200011216997_100000210202 [0,1,1,0,0,0|1,0,1]=4 2336 B11R0.78 CCCCCC(OCF)C(C)C 34a_200011216997_100015361967 [0,1,1,0,0,0|1,0,1]=4 2337 B11R0.78 CCCCCC(OCF)C(C)C 7a_200011216997_100015361967 [0,1,1,0,0,0|1,0,1]=4 2338 B11R0.78 CCCCCN(CC=O)C(C)C 2230a_100000223497_200015260668 [0,1,1,0,0,0|2,0,0]=4 2339 B11R0.78 CCCCCN(CC=O)C(C)C 269982a_100000223497_200015260668 [0,1,1,0,0,0|2,0,0]=4 2340 B11R0.217 CCCCC(C)(OCC)C(C)C 7a_200011215085_100000210202 [0,1,1,0,0,0|1,0,1]=4 2341 B11R0.217 CCCCC(C)(OCF)C(C)C 7a_200011215085_100015361967 [0,1,1,0,0,0|1,0,1]=4 2342 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [1,1,0,0,0,0|1,0,1]=4 2343 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [1,1,0,0,0,0|0,0,1]=3 2344 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [1,1,0,0,0,0|1,0,1]=4 2345 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [1,1,0,0,0,0|1,0,1]=4 2346 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [1,1,0,0,0,0|1,0,1]=4 2347 B11R1.15 O=C1CC[C@H](O1)C(=O)CCF 1458a_100009814974_100011217306 [1,1,0,0,0,0|1,0,1]=4 2348 B11R1.15 O=C1CC[C@H](O1)C(=O)CCO 1458a_100009814974_100000211926 [1,1,0,0,0,0|1,0,1]=4 2349 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [1,1,0,0,0,0|2,0,0]=4 2350 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [1,1,0,0,0,0|1,0,0]=3 2351 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [1,1,0,0,0,0|2,0,0]=4 2352 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [1,1,0,0,0,0|1,0,0]=3 2353 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [1,1,0,0,0,0|1,0,0]=3 2354 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [1,1,0,0,0,0|2,0,0]=4 2355 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [1,1,0,0,0,0|2,0,0]=4 2356 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [1,1,0,0,0,0|1,0,0]=3 2357 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [1,1,0,0,0,0|1,0,0]=3 2358 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [1,1,0,0,0,0|1,0,0]=3 2359 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [1,1,0,0,0,0|2,0,0]=4 2360 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [1,1,0,0,0,0|1,0,0]=3 2361 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [1,1,0,0,0,0|1,0,0]=3 2362 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [1,1,0,0,0,0|1,0,0]=3 2363 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [1,1,0,0,0,0|1,0,0]=3 2365 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [1,1,0,0,0,0|1,0,0]=3 2366 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [1,1,0,0,0,0|1,0,0]=3 2367 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [1,1,0,0,0,0|1,0,0]=3 2368 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [1,1,0,0,0,0|1,0,0]=3 2369 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [1,1,0,0,0,0|1,0,0]=3 2370 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [1,1,0,0,0,0|2,0,0]=4 2371 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [1,1,0,0,0,0|2,0,0]=4 2372 B11R1.27 CCOCSC1COC(=O)O1 62a_100000739092_100000032252 [1,1,0,0,0,0|2,0,0]=4 2373 B11R1.27 CCSCCC1COS(=O)O1 62a_100000210202_100009840081 [1,1,0,0,0,0|2,0,0]=4 2374 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [1,1,0,0,0,0|2,0,0]=4 2375 B11R1.27 COCCOC1COC(=O)O1 34a_100000210237_100000032252 [1,1,0,0,0,0|2,0,0]=4 2376 B11R1.27 COCCSC1COC(=O)O1 62a_100000233755_100000032252 [1,1,0,0,0,0|2,0,0]=4 2377 B11R1.27 COCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000766300 [1,1,0,0,0,0|2,0,0]=4 2378 B11R1.27 COCSCC1CNC(=O)O1 62a_100000181169_100000766300 [1,1,0,0,0,0|2,0,0]=4 2379 B11R1.27 COCSCC1CNC(=O)O1 62a_100000766300_100000181169 [1,1,0,0,0,0|2,0,0]=4 2380 B11R1.27 COCSCC1COC(=O)O1 62a_100000073702_100000766300 [1,1,0,0,0,0|2,0,0]=4 2381 B11R1.27 COCSCC1COC(=O)O1 62a_100000766300_100000073702 [1,1,0,0,0,0|2,0,0]=4 2382 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100000766300_100015189358 [1,1,0,0,0,0|2,0,0]=4 2383 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000766300 [1,1,0,0,0,0|2,0,0]=4 2384 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [1,1,0,0,0,0|2,0,0]=4 2385 B11R1.27 CSCCOC1COC(=O)O1 34a_100000230434_100000032252 [1,1,0,0,0,0|2,0,0]=4 2386 B11R1.27 CSCCSC1COC(=O)O1 62a_100000212216_100000032252 [1,1,0,0,0,0|2,0,0]=4 2387 B11R1.27 CSCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218213 [1,1,0,0,0,0|2,0,0]=4 2388 B11R1.27 CSCNC[C@H]1CCC(=O)N1 34a_100015423886_100011218213 [1,1,0,0,0,0|2,0,0]=4 2389 B11R1.27 CSCOCC1CCC(=O)N1 34a_100000737831_100011218213 [1,1,0,0,0,0|2,0,0]=4 2390 B11R1.27 CSCOCC1CNC(=O)O1 34a_100011315639_100011218213 [1,1,0,0,0,0|2,0,0]=4 2391 B11R1.27 CSCSCC1CNC(=O)O1 62a_100000181169_100011218213 [1,1,0,0,0,0|2,0,0]=4 2392 B11R1.27 CSCSCC1CNC(=O)O1 62a_100011218213_100000181169 [1,1,0,0,0,0|2,0,0]=4 2393 B11R1.27 CSCSCC1COC(=O)O1 62a_100000073702_100011218213 [1,1,0,0,0,0|2,0,0]=4 2394 B11R1.27 CSCSCC1COC(=O)O1 62a_100011218213_100000073702 [1,1,0,0,0,0|2,0,0]=4 2395 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100011218213_100015189358 [1,1,0,0,0,0|2,0,0]=4 2396 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218213 [1,1,0,0,0,0|2,0,0]=4 2397 B11R1.27 NCCCOC1COC(=O)O1 34a_100000182051_100000032252 [1,1,0,0,0,0|2,0,0]=4 2398 B11R1.27 NCCOCC1CNC(=O)O1 34a_100000210304_100000181169 [1,1,0,0,0,0|2,0,0]=4 2399 B11R1.27 NCCOCC1COC(=O)O1 34a_100000210304_100000073702 [1,1,0,0,0,0|2,0,0]=4 2400 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [1,1,0,0,0,0|2,0,0]=4 2401 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [1,1,0,0,0,0|2,0,0]=4 2402 B11R1.27 O=C1CCC(N1)COCCF 34a_100000737831_100011217306 [1,1,0,0,0,0|2,0,0]=4 2403 B11R1.27 O=C1CCC(N1)COCCO 34a_100000737831_100000211926 [1,1,0,0,0,0|2,0,0]=4 2404 B11R1.27 O=C1CC[C@@H](N1)CNCCF 2230a_100015423886_100011217306 [1,1,0,0,0,0|2,0,0]=4 2405 B11R1.27 O=C1CC[C@@H](N1)CNCCF 34a_100015423886_100011217306 [1,1,0,0,0,0|2,0,0]=4 2406 B11R1.27 O=C1CC[C@@H](N1)CNCCO 2230a_100015423886_100000211926 [1,1,0,0,0,0|2,0,0]=4 2407 B11R1.27 O=C1CC[C@@H](N1)CNCCO 34a_100015423886_100000211926 [1,1,0,0,0,0|2,0,0]=4 2408 B11R1.27 O=C1CC[C@H](N1)CNCCO 2230a_100016997473_100015189358 [1,1,0,0,0,0|2,0,0]=4 2409 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100011217306_100015189358 [1,1,0,0,0,0|2,0,0]=4 2410 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100015189358_100011217306 [1,1,0,0,0,0|2,0,0]=4 2411 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100000211926_100015189358 [1,1,0,0,0,0|2,0,0]=4 2412 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100015189358_100000211926 [1,1,0,0,0,0|2,0,0]=4 2413 B11R1.27 O=C1NCC(O1)CNCCF 34a_100000724931_100000181169 [1,1,0,0,0,0|2,0,0]=4 2414 B11R1.27 O=C1NCC(O1)CNCCO 2230a_100016997473_100000181169 [1,1,0,0,0,0|2,0,0]=4 2415 B11R1.27 O=C1NCC(O1)CNCCO 34a_100016990907_100000181169 [1,1,0,0,0,0|2,0,0]=4 2416 B11R1.27 O=C1NCC(O1)COCCBr 34a_100000211926_100000181169 [1,1,0,0,0,0|2,0,0]=4 2417 B11R1.27 O=C1NCC(O1)COCCF 34a_100011315639_100011217306 [1,1,0,0,0,0|2,0,0]=4 2418 B11R1.27 O=C1NCC(O1)COCCO 34a_100011315639_100000211926 [1,1,0,0,0,0|2,0,0]=4 2419 B11R1.27 O=C1NCC(O1)CSCCF 62a_100000181169_100011217306 [1,1,0,0,0,0|2,0,0]=4 2420 B11R1.27 O=C1NCC(O1)CSCCF 62a_100011217306_100000181169 [1,1,0,0,0,0|2,0,0]=4 2421 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000181169_100000211926 [1,1,0,0,0,0|2,0,0]=4 2422 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000211926_100000181169 [1,1,0,0,0,0|2,0,0]=4 2423 B11R1.27 O=C1OCC(O1)CNCCF 34a_100000724931_100000073702 [1,1,0,0,0,0|2,0,0]=4 2424 B11R1.27 O=C1OCC(O1)CNCCO 34a_100016990907_100000073702 [1,1,0,0,0,0|2,0,0]=4 2425 B11R1.27 O=C1OCC(O1)COCCBr 34a_100000211926_100000073702 [1,1,0,0,0,0|2,0,0]=4 2426 B11R1.27 O=C1OCC(O1)CSCCF 62a_100000073702_100011217306 [1,1,0,0,0,0|2,0,0]=4 2427 B11R1.27 O=C1OCC(O1)CSCCF 62a_100011217306_100000073702 [1,1,0,0,0,0|2,0,0]=4 2428 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000073702_100000211926 [1,1,0,0,0,0|2,0,0]=4 2429 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000211926_100000073702 [1,1,0,0,0,0|2,0,0]=4 2430 B11R1.27 O=C1OCC(O1)NCCCF 34a_100015189416_100000032252 [1,1,0,0,0,0|2,0,0]=4 2431 B11R1.27 O=C1OCC(O1)OCCCBr 34a_100011217188_100000032252 [1,1,0,0,0,0|2,0,0]=4 2432 B11R1.27 O=C1OCC(O1)OCCCCl 34a_100000230001_100000032252 [1,1,0,0,0,0|2,0,0]=4 2433 B11R1.27 O=C1OCC(O1)OCCCF 34a_100000759539_100000032252 [1,1,0,0,0,0|2,0,0]=4 2434 B11R1.27 O=C1OCC(O1)SCCCF 62a_100011934791_100000032252 [1,1,0,0,0,0|2,0,0]=4 2435 B11R1.27 O=C1OCC(O1)SCCCO 62a_100011215043_100000032252 [1,1,0,0,0,0|2,0,0]=4 2436 B11R1.39 CCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210202 [1,1,0,0,0,0|1,0,1]=4 2437 B11R1.39 CCC(=O)CC1CNC(=O)O1 1458a_100000210414_100000181169 [1,1,0,0,0,0|1,0,1]=4 2438 B11R1.39 CCC(=O)CC1COC(=O)O1 1458a_100000210414_100000073702 [1,1,0,0,0,0|1,0,1]=4 2439 B11R1.39 CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210414_100015189358 [1,1,0,0,0,0|1,0,1]=4 2440 B11R1.39 CCC(C)OC1CCC(=O)C1 34a_100012614533_100011215416 [1,1,0,0,0,0|2,0,0]=4 2441 B11R1.39 CCC(C)SC1COC(=O)O1 62a_100000758301_100000032252 [1,1,0,0,0,0|2,0,0]=4 2442 B11R1.39 CCN(C)CC1CNC(=O)O1 2230a_100000225621_100000181169 [1,1,0,0,0,0|2,0,0]=4 2443 B11R1.39 CCN(C)CC1CNC(=O)O1 269982a_100000225621_100000181169 [1,1,0,0,0,0|2,0,0]=4 2444 B11R1.39 CCN(C)CC1COC(=O)O1 269982a_100000225621_100000073702 [1,1,0,0,0,0|2,0,0]=4 2445 B11R1.39 CCN(C)C[C@@H]1CCC(=O)N1 2230a_100000225621_100015189358 [1,1,0,0,0,0|2,0,0]=4 2446 B11R1.39 CCN(C)C[C@@H]1CCC(=O)N1 269982a_100000225621_100015189358 [1,1,0,0,0,0|2,0,0]=4 2447 B11R1.75 CC(Br)COC1COC(=O)O1 34a_100012180447_100000032252 [1,1,0,0,0,0|2,0,0]=4 2448 B11R1.75 CC(C)CNC1COC(=O)O1 34a_100000210953_100000032252 [1,1,0,0,0,0|2,0,0]=4 2449 B11R1.75 CC(C)COC1CCC(=O)C1 34a_100012614533_100000210624 [1,1,0,0,0,0|2,0,0]=4 2450 B11R1.75 CC(C)COC1COC(=O)O1 34a_100000210257_100000032252 [1,1,0,0,0,0|2,0,0]=4 2451 B11R1.75 CC(C)CSC1COC(=O)O1 62a_100000210624_100000032252 [1,1,0,0,0,0|2,0,0]=4 2452 B11R1.75 CC(C)NCC1CNC(=O)O1 2230a_100138425928_100000181169 [1,1,0,0,0,0|2,0,0]=4 2453 B11R1.75 CC(C)NCC1CNC(=O)O1 34a_100138425928_100000181169 [1,1,0,0,0,0|2,0,0]=4 2454 B11R1.75 CC(C)NCC1COC(=O)O1 34a_100138425928_100000073702 [1,1,0,0,0,0|2,0,0]=4 2455 B11R1.75 CC(C)NC[C@@H]1CCC(=O)N1 2230a_100138425928_100015189358 [1,1,0,0,0,0|2,0,0]=4 2456 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000210206 [1,1,0,0,0,0|2,0,0]=4 2457 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100000210206 [1,1,0,0,0,0|2,0,0]=4 2458 B11R1.75 CC(C)OCC1CCC(=O)N1 34a_100000737831_100000210206 [1,1,0,0,0,0|2,0,0]=4 2459 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100000212225_100000181169 [1,1,0,0,0,0|2,0,0]=4 2460 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100011315639_100000210206 [1,1,0,0,0,0|2,0,0]=4 2461 B11R1.75 CC(C)OCC1COC(=O)O1 34a_100000212225_100000073702 [1,1,0,0,0,0|2,0,0]=4 2462 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000181169_100000210206 [1,1,0,0,0,0|2,0,0]=4 2463 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000210206_100000181169 [1,1,0,0,0,0|2,0,0]=4 2464 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000073702_100000210206 [1,1,0,0,0,0|2,0,0]=4 2465 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000210206_100000073702 [1,1,0,0,0,0|2,0,0]=4 2466 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100000210206_100015189358 [1,1,0,0,0,0|2,0,0]=4 2467 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000210206 [1,1,0,0,0,0|2,0,0]=4 2468 B11R1.75 CC(F)COC1COC(=O)O1 34a_100015925927_100000032252 [1,1,0,0,0,0|2,0,0]=4 2469 B11R1.75 CC(O)CNC1COC(=O)O1 34a_100000210904_100000032252 [1,1,0,0,0,0|2,0,0]=4 2470 B11R1.75 CC(O)COC1CCC(=O)C1 34a_100012614533_100011218427 [1,1,0,0,0,0|2,0,0]=4 2471 B11R1.75 CC(O)CSC1COC(=O)O1 62a_100011218427_100000032252 [1,1,0,0,0,0|2,0,0]=4 2472 B11R1.75 C[C@@H](Cl)COC1COC(=O)O1 34a_100016084084_100000032252 [1,1,0,0,0,0|2,0,0]=4 2473 B11R1.75 C[C@@H](N)COC1COC(=O)O1 34a_100000737577_100000032252 [1,1,0,0,0,0|2,0,0]=4 2474 B11R1.75 C[C@@H](O)COC1CCC(=O)C1 34a_100012614533_100009817552 [1,1,0,0,0,0|2,0,0]=4 2475 B11R1.75 C[C@@H](O)CSC1COC(=O)O1 62a_100009817552_100000032252 [1,1,0,0,0,0|2,0,0]=4 2476 B11R1.18 CCCCC1C=CCN1CC 2230a_100015184376_100000210202 [1,1,0,0,0,0|2,0,0]=4 2477 B11R1.18 CCCCC1C=CCN1CC 269982a_100015184376_100000204670 [1,1,0,0,0,0|2,0,0]=4 2478 B11R1.18 CCCCC1C=CCN1CC 34a_100015184376_100000210202 [1,1,0,0,0,0|2,0,0]=4 2479 B11R1.18 CCCCC1C=CCN1CF 269982a_100015184376_100015361967 [1,1,0,0,0,0|2,0,0]=4 2480 B11R1.18 CCCCC1C=CCN1CF 34a_100015184376_100015361967 [1,1,0,0,0,0|2,0,0]=4 2481 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [1,1,0,0,0,0|1,0,1]=4 2482 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [1,1,0,0,0,0|1,0,1]=4 2483 B11R1.180 CCCCNC1CCCC1C 269862a_100000102301_100000752053 [1,1,0,0,0,0|1,0,1]=4 2484 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [1,1,0,0,0,0|1,0,1]=4 2485 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [1,1,0,0,0,0|1,0,1]=4 2486 B11R1.180 CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210210 [1,1,0,0,0,0|2,0,0]=4 2487 B11R1.4 CCCCCOC1CCCC1 34a_100000210253_100000179811 [0,0,1,1,0,0|1,0,1]=4 2488 B11R1.4 CCCCCOC1CCCC1 34a_100000210269_100000718602 [0,0,1,1,0,0|1,0,1]=4 2489 B11R1.4 CCCCCOC1CCCC1 7a_100000210253_100000179811 [0,0,1,1,0,0|1,0,1]=4 2490 B11R1.4 CCCCCOC1CCCC1 7a_100000210269_100000210326 [0,0,1,1,0,0|1,0,1]=4 2491 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,0,1,1,0,0|0,0,2]=4 2492 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,0,1,1,0,0|1,0,1]=4 2493 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,0,1,1,0,0|1,0,0]=3 2494 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,0,1,1,0,0|1,0,0]=3 2495 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,0,1,1,0,0|2,0,0]=4 2496 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [0,0,1,1,0,0|2,0,0]=4 2497 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [0,0,1,1,0,0|2,0,0]=4 2498 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [0,0,1,1,0,0|2,0,0]=4 2499 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [0,0,1,1,0,0|2,0,0]=4 2500 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [0,0,1,1,0,0|2,0,0]=4 2501 B11R1.16 CCCC(=O)N1CCCOC1 11a_100000131196_100000211992 [0,0,1,1,0,0|2,0,0]=4 2502 B11R1.16 CCCC(=O)N1CCCOC1 240690a_100000131196_100000211992 [0,0,1,1,0,0|2,0,0]=4 2503 B11R1.16 CCCC(=O)N1CCOCC1 11a_100015191051_100000211992 [0,0,1,1,0,0|2,0,0]=4 2504 B11R1.16 CCCC(=O)N1CCOCC1 1626a_100015191051_100000211992 [0,0,1,1,0,0|2,0,0]=4 2505 B11R1.16 CCCC(=O)N1CCOCC1 240690a_100015191051_100000211992 [0,0,1,1,0,0|2,0,0]=4 2506 B11R1.16 CCCC(=O)N1CCOCC1 527a_100015191051_100000211992 [0,0,1,1,0,0|2,0,0]=4 2507 B11R1.16 CCCC(=O)N1CCSCC1 11a_100000737611_100000211992 [0,0,1,1,0,0|2,0,0]=4 2508 B11R1.16 CCCC(=O)N1CCSCC1 240690a_100000737611_100000211992 [0,0,1,1,0,0|2,0,0]=4 2509 B11R1.16 CCCC(=O)N1CCSCC1 527a_100000737611_100000211992 [0,0,1,1,0,0|2,0,0]=4 2510 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,0,1,1,0,0|2,0,0]=4 2511 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,0,1,1,0,0|2,0,0]=4 2512 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,0,1,1,0,0|2,0,0]=4 2513 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [0,0,1,1,0,0|2,0,0]=4 2514 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [0,0,1,1,0,0|2,0,0]=4 2515 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [0,0,1,1,0,0|2,0,0]=4 2516 B11R1.16 CNCC(=O)N1CCCCC1 2230a_100000751303_200000210301 [0,0,1,1,0,0|2,0,0]=4 2517 B11R1.16 CNCC(=O)N1CCCCC1 2230a_106832991635_100000183409 [0,0,1,1,0,0|2,0,0]=4 2518 B11R1.16 CNCC(=O)N1CCCCC1 34a_100102657272_100000183409 [0,0,1,1,0,0|2,0,0]=4 2519 B11R1.16 CNCC(=O)N1CCCCC1 7a_106832991635_100000183409 [0,0,1,1,0,0|2,0,0]=4 2520 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [0,0,1,1,0,0|2,0,0]=4 2521 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [0,0,1,1,0,0|2,0,0]=4 2522 B11R1.16 COCC(=O)N1CCCCC1 34a_100138415774_100000183409 [0,0,1,1,0,0|2,0,0]=4 2523 B11R1.16 COCC(=O)N1CCCCC1 7a_100011315646_200000210301 [0,0,1,1,0,0|2,0,0]=4 2524 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [0,0,1,1,0,0|2,0,0]=4 2525 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [0,0,1,1,0,0|2,0,0]=4 2526 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [0,0,1,1,0,0|2,0,0]=4 2527 B11R1.16 CSCC(=O)N1CCCCC1 62a_100000183409_200000210301 [0,0,1,1,0,0|2,0,0]=4 2528 B11R1.16 CSCC(=O)N1CCCCC1 62a_200000210301_100000183409 [0,0,1,1,0,0|2,0,0]=4 2529 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,0,1,1,0,0|2,0,0]=4 2530 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,0,1,1,0,0|2,0,0]=4 2531 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,0,1,1,0,0|2,0,0]=4 2532 B11R1.16 [13CH3]NCC(=O)N1CCCCC1 2230a_100000751303_200025704644 [0,0,1,1,0,0|2,0,0]=4 2533 B11R1.16 [13CH3]OCC(=O)N1CCCCC1 7a_100011315646_200025704644 [0,0,1,1,0,0|2,0,0]=4 2534 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [0,0,1,1,0,0|2,0,0]=4 2535 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [0,0,1,1,0,0|2,0,0]=4 2536 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_100000183409_200025704644 [0,0,1,1,0,0|2,0,0]=4 2537 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_200025704644_100000183409 [0,0,1,1,0,0|2,0,0]=4 2538 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,0,1,1,0,0|2,0,0]=4 2539 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,0,1,1,0,0|2,0,0]=4 2540 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,0,1,1,0,0|1,0,1]=4 2541 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,0,1,1,0,0|1,0,0]=3 2542 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,0,1,1,0,0|1,0,0]=3 2543 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,0,1,1,0,0|2,0,0]=4 2544 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [0,0,1,1,0,0|2,0,0]=4 2545 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [0,0,1,1,0,0|2,0,0]=4 2546 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,0,1,1,0,0|2,0,0]=4 2547 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,0,1,1,0,0|2,0,0]=4 2548 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,0,1,1,0,0|2,0,0]=4 2549 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,0,1,1,0,0|1,0,0]=3 2550 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,0,1,1,0,0|1,0,0]=3 2551 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,0,1,1,0,0|1,0,0]=3 2552 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,0,1,1,0,0|1,0,0]=3 2553 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211992 [0,0,1,1,0,0|2,0,0]=4 2554 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211992 [0,0,1,1,0,0|2,0,0]=4 2555 B11R1.30 CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211992 [0,0,1,1,0,0|2,0,0]=4 2556 B11R1.30 CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211992 [0,0,1,1,0,0|2,0,0]=4 2557 B11R1.30 CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211992 [0,0,1,1,0,0|2,0,0]=4 2558 B11R1.30 CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211992 [0,0,1,1,0,0|2,0,0]=4 2559 B11R1.30 CCCC(C)OC1CCCC1 34a_100000210269_100000766640 [0,0,1,1,0,0|1,0,1]=4 2560 B11R1.30 CCCC(C)OC1CCCC1 34a_100000764384_100000179811 [0,0,1,1,0,0|1,0,1]=4 2561 B11R1.30 CCCC(C)OC1CCCC1 7a_100000210269_100000766640 [0,0,1,1,0,0|1,0,1]=4 2562 B11R1.30 CCCC(C)OC1CCCC1 7a_100000764384_100000179811 [0,0,1,1,0,0|1,0,1]=4 2563 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,0,1,1,0,0|2,0,0]=4 2564 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,0,1,1,0,0|2,0,0]=4 2565 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,0,1,1,0,0|2,0,0]=4 2566 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [0,0,1,1,0,0|2,0,0]=4 2567 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [0,0,1,1,0,0|2,0,0]=4 2568 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [0,0,1,1,0,0|2,0,0]=4 2569 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [0,0,1,1,0,0|2,0,0]=4 2570 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [0,0,1,1,0,0|2,0,0]=4 2571 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [0,0,1,1,0,0|2,0,0]=4 2572 B11R1.30 CNCC(=O)NC1CCCC1 2230a_100000747513_200000210301 [0,0,1,1,0,0|2,0,0]=4 2573 B11R1.30 CNCC(=O)NC1CCCC1 2230a_106832991635_100000183512 [0,0,1,1,0,0|2,0,0]=4 2574 B11R1.30 CNCC(=O)NC1CCCC1 34a_100102657272_100000183512 [0,0,1,1,0,0|2,0,0]=4 2575 B11R1.30 CNCC(=O)NC1CCCC1 7a_106832991635_100000183512 [0,0,1,1,0,0|2,0,0]=4 2576 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,0,1,1,0,0|2,0,0]=4 2577 B11R1.30 COCC(=O)NC1CCCC1 11a_100000211070_100000210968 [0,0,1,1,0,0|2,0,0]=4 2578 B11R1.30 COCC(=O)NC1CCCC1 1626a_100000211070_100000210968 [0,0,1,1,0,0|2,0,0]=4 2579 B11R1.30 COCC(=O)NC1CCCC1 240690a_100000211070_100000210968 [0,0,1,1,0,0|2,0,0]=4 2580 B11R1.30 COCC(=O)NC1CCCC1 34a_100138415774_100000183512 [0,0,1,1,0,0|2,0,0]=4 2581 B11R1.30 COCC(=O)NC1CCCC1 527a_100000211070_100000210968 [0,0,1,1,0,0|2,0,0]=4 2582 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [0,0,1,1,0,0|2,0,0]=4 2583 B11R1.30 CSCC(=O)NC1CCCC1 11a_100000211070_100000184570 [0,0,1,1,0,0|2,0,0]=4 2584 B11R1.30 CSCC(=O)NC1CCCC1 1626a_100000211070_100000184570 [0,0,1,1,0,0|2,0,0]=4 2585 B11R1.30 CSCC(=O)NC1CCCC1 240690a_100000211070_100000184570 [0,0,1,1,0,0|2,0,0]=4 2586 B11R1.30 CSCC(=O)NC1CCCC1 527a_100000211070_100000184570 [0,0,1,1,0,0|2,0,0]=4 2587 B11R1.30 CSCC(=O)NC1CCCC1 62a_100000183512_200000210301 [0,0,1,1,0,0|2,0,0]=4 2588 B11R1.30 CSCC(=O)NC1CCCC1 62a_200000210301_100000183512 [0,0,1,1,0,0|2,0,0]=4 2589 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,0,1,1,0,0|2,0,0]=4 2590 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,0,1,1,0,0|2,0,0]=4 2591 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,0,1,1,0,0|2,0,0]=4 2592 B11R1.30 O=C(CCO)NC1CCCC1 240690a_100000211070_100011216618 [0,0,1,1,0,0|2,0,0]=4 2593 B11R1.30 [13CH3]NCC(=O)NC1CCCC1 2230a_100000747513_200025704644 [0,0,1,1,0,0|2,0,0]=4 2594 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_100000183512_200025704644 [0,0,1,1,0,0|2,0,0]=4 2595 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_200025704644_100000183512 [0,0,1,1,0,0|2,0,0]=4 2596 B11R1.265 CCC1C(=O)NCCN1CC 2230a_100000187962_100000210202 [0,0,1,1,0,0|2,0,0]=4 2597 B11R1.265 CCC1C(=O)NCCN1CC 269982a_100000187962_100000204670 [0,0,1,1,0,0|2,0,0]=4 2598 B11R1.265 CCC1C(=O)NCCN1CC 34a_100000187962_100000210202 [0,0,1,1,0,0|2,0,0]=4 2599 B11R1.288 CCCC(C)OCC1CC1C 34a_100000744939_100000766640 [0,0,1,1,0,0|1,0,1]=4 2600 B11R1.288 CCCC(C)OCC1CC1C 7a_100000744939_100000766640 [0,0,1,1,0,0|1,0,1]=4 2601 B11R1.289 CCCC(=O)CNC1CCC1 2230a_100000749019_100000747444 [0,0,1,1,0,0|2,0,0]=4 2602 B11R1.289 CCCC(=O)CSC1CCC1 62a_100000747444_100000749161 [0,0,1,1,0,0|2,0,0]=4 2603 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [0,0,1,1,0,0|1,0,0]=3 2604 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [0,0,1,1,0,0|1,0,0]=3 2605 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [0,0,1,1,0,0|1,0,0]=3 2606 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [0,0,1,1,0,0|1,0,0]=3 2607 B11R1.289 CCCC(=O)NCC1COC1 11a_100015281925_100000211992 [0,0,1,1,0,0|2,0,0]=4 2608 B11R1.289 CCCC(=O)NCC1COC1 1626a_100015281925_100000211992 [0,0,1,1,0,0|2,0,0]=4 2609 B11R1.289 CCCC(=O)NCC1COC1 240690a_100015281925_100000211992 [0,0,1,1,0,0|2,0,0]=4 2610 B11R1.289 CCCC(=O)NCC1COC1 527a_100015281925_100000211992 [0,0,1,1,0,0|2,0,0]=4 2611 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211992 [0,0,1,1,0,0|2,0,0]=4 2612 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211992 [0,0,1,1,0,0|2,0,0]=4 2613 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211992 [0,0,1,1,0,0|2,0,0]=4 2614 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211992 [0,0,1,1,0,0|2,0,0]=4 2615 B11R1.289 CCCC(=O)NNC1CCC1 22a_100000736358_100000211992 [0,0,1,1,0,0|2,0,0]=4 2616 B11R1.289 CCCC(=O)OCN1CCC1 269982a_100000754969_100000034017 [0,0,1,1,0,0|1,0,0]=3 2617 B11R1.289 CCCC(C)OCC1CCC1 34a_100000760304_100000766640 [0,0,1,1,0,0|1,0,1]=4 2618 B11R1.289 CCCC(C)OCC1CCC1 34a_100000764384_100000763275 [0,0,1,1,0,0|1,0,1]=4 2619 B11R1.289 CCCC(C)OCC1CCC1 7a_100000764384_100000763275 [0,0,1,1,0,0|1,0,1]=4 2620 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100000738700_100015525214 [0,0,1,1,0,0|2,0,0]=4 2621 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100015525214_100000738700 [0,0,1,1,0,0|2,0,0]=4 2622 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100000738700_100015525214 [0,0,1,1,0,0|2,0,0]=4 2623 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100015525214_100000738700 [0,0,1,1,0,0|2,0,0]=4 2624 B11R1.289 CCNC(=O)NCC1CCC1 512a_100000738700_100015525214 [0,0,1,1,0,0|2,0,0]=4 2625 B11R1.289 CCNC(=O)NCC1CCC1 512a_100015525214_100000738700 [0,0,1,1,0,0|2,0,0]=4 2626 B11R1.289 COCC(=O)NCC1CCC1 11a_100000738700_100000210968 [0,0,1,1,0,0|2,0,0]=4 2627 B11R1.289 COCC(=O)NCC1CCC1 1626a_100000738700_100000210968 [0,0,1,1,0,0|2,0,0]=4 2628 B11R1.289 COCC(=O)NCC1CCC1 240690a_100000738700_100000210968 [0,0,1,1,0,0|2,0,0]=4 2629 B11R1.289 COCC(=O)NCC1CCC1 527a_100000738700_100000210968 [0,0,1,1,0,0|2,0,0]=4 2630 B11R1.289 CSCC(=O)NCC1CCC1 11a_100000738700_100000184570 [0,0,1,1,0,0|2,0,0]=4 2631 B11R1.289 CSCC(=O)NCC1CCC1 1626a_100000738700_100000184570 [0,0,1,1,0,0|2,0,0]=4 2632 B11R1.289 CSCC(=O)NCC1CCC1 240690a_100000738700_100000184570 [0,0,1,1,0,0|2,0,0]=4 2633 B11R1.289 CSCC(=O)NCC1CCC1 527a_100000738700_100000184570 [0,0,1,1,0,0|2,0,0]=4 2634 B11R1.289 O=C(CCO)NCC1CCC1 240690a_100000738700_100011216618 [0,0,1,1,0,0|2,0,0]=4 2635 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,0,1,1,0,0|2,0,0]=4 2636 B11R1.290 CCCC(=O)CNCC1CC1 2230a_100000735609_100000747444 [0,0,1,1,0,0|2,0,0]=4 2637 B11R1.290 CCCC(=O)CSCC1CC1 1458a_200011316215_100000210303 [0,0,1,1,0,0|2,0,0]=4 2638 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000747444_100000742324 [0,0,1,1,0,0|2,0,0]=4 2639 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000756562_100000747444 [0,0,1,1,0,0|2,0,0]=4 2640 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [0,0,1,1,0,0|1,0,0]=3 2641 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [0,0,1,1,0,0|1,0,0]=3 2642 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [0,0,1,1,0,0|1,0,0]=3 2643 B11R1.290 CCCC(=O)NNCC1CC1 22a_100000736359_100000211992 [0,0,1,1,0,0|2,0,0]=4 2644 B11R1.290 CCCC(=O)OCNC1CC1 34a_100000212008_100000034017 [0,0,1,1,0,0|1,0,0]=3 2645 B11R1.290 CCCC(C)OCCC1CC1 34a_100000754188_100000766640 [0,0,1,1,0,0|1,0,1]=4 2646 B11R1.290 CCCC(C)OCCC1CC1 34a_100000764384_100000694398 [0,0,1,1,0,0|1,0,1]=4 2647 B11R1.290 CCCC(C)OCCC1CC1 7a_100000754188_100000766640 [0,0,1,1,0,0|1,0,1]=4 2648 B11R1.290 CCCC(C)OCCC1CC1 7a_100000764384_100000764125 [0,0,1,1,0,0|1,0,1]=4 2649 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100000764129_100015525214 [0,0,1,1,0,0|2,0,0]=4 2650 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100015525214_100000764129 [0,0,1,1,0,0|2,0,0]=4 2651 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100000764129_100015525214 [0,0,1,1,0,0|2,0,0]=4 2652 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100015525214_100000764129 [0,0,1,1,0,0|2,0,0]=4 2653 B11R1.290 CCNC(=O)NCCC1CC1 512a_100000764129_100015525214 [0,0,1,1,0,0|2,0,0]=4 2654 B11R1.290 CCNC(=O)NCCC1CC1 512a_100015525214_100000764129 [0,0,1,1,0,0|2,0,0]=4 2655 B11R1.290 COCC(=O)NCCC1CC1 1626a_100000764129_100000210968 [0,0,1,1,0,0|2,0,0]=4 2656 B11R1.290 COCC(=O)NCCC1CC1 240690a_100000764129_100000210968 [0,0,1,1,0,0|2,0,0]=4 2657 B11R1.290 COCC(=O)NCCC1CC1 527a_100000764129_100000210968 [0,0,1,1,0,0|2,0,0]=4 2658 B11R1.290 CSCC(=O)NCCC1CC1 1626a_100000764129_100000184570 [0,0,1,1,0,0|2,0,0]=4 2659 B11R1.290 CSCC(=O)NCCC1CC1 240690a_100000764129_100000184570 [0,0,1,1,0,0|2,0,0]=4 2660 B11R1.290 CSCC(=O)NCCC1CC1 527a_100000764129_100000184570 [0,0,1,1,0,0|2,0,0]=4 2661 B11R1.290 O=C(CCO)NCCC1CC1 240690a_100000764129_100011216618 [0,0,1,1,0,0|2,0,0]=4 2662 B11R1.291 CCCC(=O)CN1CCC1C 269982a_100000755817_100000747444 [0,0,1,1,0,0|2,0,0]=4 2663 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [0,0,1,1,0,0|1,0,0]=3 2664 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [0,0,1,1,0,0|2,0,0]=4 2665 B11R1.356 CCCCCNC(=O)C1CC1 11a_100000209983_100000210395 [0,0,1,1,0,0|1,0,0]=3 2666 B11R1.356 CCCCCNC(=O)C1CC1 1626a_100000209983_100000210395 [0,0,1,1,0,0|1,0,0]=3 2667 B11R1.356 CCCCCNC(=O)C1CC1 240690a_100000209983_100000210395 [0,0,1,1,0,0|1,0,0]=3 2668 B11R1.356 CCCCCNC(=O)C1CC1 527a_100000209983_100000210395 [0,0,1,1,0,0|1,0,0]=3 2669 B11R1.356 CCCCCNC(=O)C1CO1 11a_100000209983_100000701028 [0,0,1,1,0,0|2,0,0]=4 2670 B11R1.356 CCCCCNC(=O)C1CO1 1626a_100000209983_100000701028 [0,0,1,1,0,0|2,0,0]=4 2671 B11R1.356 CCCCCNC(=O)C1CO1 240690a_100000209983_100000701028 [0,0,1,1,0,0|2,0,0]=4 2672 B11R1.356 CCCCCNC(=O)C1CO1 527a_100000209983_100000701028 [0,0,1,1,0,0|2,0,0]=4 2673 B11R1.356 CCCCCOC(C)C1CC1 34a_100000744524_100000718602 [0,0,1,1,0,0|1,0,1]=4 2674 B11R1.356 CCCCCOC(C)C1CC1 7a_100000744524_100000210326 [0,0,1,1,0,0|1,0,1]=4 2675 B11R1.356 CCCCNCC(=O)C1CC1 2230a_100000102301_100000746382 [0,0,1,1,0,0|2,0,0]=4 2676 B11R1.356 CCCCNCC(=O)C1CC1 7a_106832991798_100000746382 [0,0,1,1,0,0|2,0,0]=4 2677 B11R1.356 CCCCNNC(=O)C1CC1 22a_100025702795_100000210395 [0,0,1,1,0,0|2,0,0]=4 2678 B11R1.356 CCCCOCC(=O)C1CC1 1458a_100000210395_100011995733 [0,0,1,1,0,0|2,0,0]=4 2679 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000210227_100000746382 [0,0,1,1,0,0|2,0,0]=4 2680 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000686663_100000210210 [0,0,1,1,0,0|2,0,0]=4 2681 B11R1.356 CCCCOCC(=O)C1CC1 7a_100000210227_100000746382 [0,0,1,1,0,0|2,0,0]=4 2682 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000210211_100000746382 [0,0,1,1,0,0|2,0,0]=4 2683 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000746382_100000210210 [0,0,1,1,0,0|2,0,0]=4 2684 B11R1.356 CCCOCCC(=O)C1CC1 1458a_100000210395_100011215938 [0,0,1,1,0,0|2,0,0]=4 2685 B11R1.356 CCCOCOC(=O)C1CC1 34a_100000210258_100000140896 [0,0,1,1,0,0|1,0,0]=3 2686 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000140896_100000210303 [0,0,1,1,0,0|1,0,0]=3 2687 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000210303_100000140896 [0,0,1,1,0,0|1,0,0]=3 2688 B11R1.356 CCOCCCC(=O)C1CC1 1458a_100000210395_100012232248 [0,0,1,1,0,0|2,0,0]=4 2689 B11R1.356 CCOCCNC(=O)C1CC1 11a_100011200944_100000210395 [0,0,1,1,0,0|2,0,0]=4 2690 B11R1.356 CCOCCNC(=O)C1CC1 1626a_102516460346_100000210395 [0,0,1,1,0,0|2,0,0]=4 2691 B11R1.356 CCOCCNC(=O)C1CC1 240690a_100011200944_100000210395 [0,0,1,1,0,0|2,0,0]=4 2692 B11R1.356 CCOCCNC(=O)C1CC1 527a_100011200944_100000210395 [0,0,1,1,0,0|2,0,0]=4 2693 B11R1.356 CCSCCNC(=O)C1CC1 11a_100000106463_100000210395 [0,0,1,1,0,0|2,0,0]=4 2694 B11R1.356 CCSCCNC(=O)C1CC1 1626a_100000106463_100000210395 [0,0,1,1,0,0|2,0,0]=4 2695 B11R1.356 CCSCCNC(=O)C1CC1 240690a_100000106463_100000210395 [0,0,1,1,0,0|2,0,0]=4 2696 B11R1.356 CCSCCNC(=O)C1CC1 527a_100000106463_100000210395 [0,0,1,1,0,0|2,0,0]=4 2697 B11R1.356 COCCCCC(=O)C1CC1 1458a_100000210395_100000755781 [0,0,1,1,0,0|2,0,0]=4 2698 B11R1.356 COCCCNC(=O)C1CC1 1626a_100150723488_100000210395 [0,0,1,1,0,0|2,0,0]=4 2699 B11R1.356 COCCCNC(=O)C1CC1 240690a_100150723488_100000210395 [0,0,1,1,0,0|2,0,0]=4 2700 B11R1.356 COCCCNC(=O)C1CC1 527a_100150723488_100000210395 [0,0,1,1,0,0|2,0,0]=4 2701 B11R1.356 COCSCOC(=O)C1CC1 62a_100000140896_100000766300 [0,0,1,1,0,0|2,0,0]=4 2702 B11R1.356 COCSCOC(=O)C1CC1 62a_100000766300_100000140896 [0,0,1,1,0,0|2,0,0]=4 2703 B11R1.356 CSCCCNC(=O)C1CC1 11a_100000749238_100000210395 [0,0,1,1,0,0|2,0,0]=4 2704 B11R1.356 CSCCCNC(=O)C1CC1 1626a_100000749238_100000210395 [0,0,1,1,0,0|2,0,0]=4 2705 B11R1.356 CSCCCNC(=O)C1CC1 240690a_100000749238_100000210395 [0,0,1,1,0,0|2,0,0]=4 2706 B11R1.356 CSCCCNC(=O)C1CC1 527a_100000749238_100000210395 [0,0,1,1,0,0|2,0,0]=4 2707 B11R1.356 CSCSCOC(=O)C1CC1 62a_100000140896_100011218213 [0,0,1,1,0,0|2,0,0]=4 2708 B11R1.356 CSCSCOC(=O)C1CC1 62a_100011218213_100000140896 [0,0,1,1,0,0|2,0,0]=4 2709 B11R1.356 NCCOCOC(=O)C1CC1 34a_100000210304_100000140896 [0,0,1,1,0,0|2,0,0]=4 2710 B11R1.356 O=C(CCCCCF)C1CC1 1458a_100000210395_100000729378 [0,0,1,1,0,0|2,0,0]=4 2711 B11R1.356 O=C(CCCCCO)C1CC1 1458a_100000210395_100000746330 [0,0,1,1,0,0|2,0,0]=4 2712 B11R1.356 O=C(NCCCCO)C1CC1 240690a_100000750430_100000210395 [0,0,1,1,0,0|2,0,0]=4 2713 B11R1.356 O=C(NCCCCO)C1CC1 527a_100000750430_100000210395 [0,0,1,1,0,0|2,0,0]=4 2714 B11R1.356 O=C(OCNCCF)C1CC1 34a_100000724931_100000140896 [0,0,1,1,0,0|2,0,0]=4 2715 B11R1.356 O=C(OCNCCO)C1CC1 2230a_100016997473_100000140896 [0,0,1,1,0,0|2,0,0]=4 2716 B11R1.356 O=C(OCNCCO)C1CC1 34a_100016990907_100000140896 [0,0,1,1,0,0|2,0,0]=4 2717 B11R1.356 O=C(OCOCCBr)C1CC1 34a_100000211926_100000140896 [0,0,1,1,0,0|2,0,0]=4 2718 B11R1.356 O=C(OCSCCF)C1CC1 62a_100000140896_100011217306 [0,0,1,1,0,0|2,0,0]=4 2719 B11R1.356 O=C(OCSCCF)C1CC1 62a_100011217306_100000140896 [0,0,1,1,0,0|2,0,0]=4 2720 B11R1.356 O=C(OCSCCO)C1CC1 62a_100000140896_100000211926 [0,0,1,1,0,0|2,0,0]=4 2721 B11R1.356 O=C(OCSCCO)C1CC1 62a_100000211926_100000140896 [0,0,1,1,0,0|2,0,0]=4 2722 B11R1.899 CCCCCOC1(CCC1)C 34a_100000759064_100000718602 [0,0,1,1,0,0|1,0,1]=4 2723 B11R1.899 CCCCCOC1(CCC1)C 7a_100000759064_100000210326 [0,0,1,1,0,0|1,0,1]=4 2724 B11R1.43 CCN1CCC(C1)CC(=O)C 1458a_100000070787_100015184589 [0,0,1,1,0,0|2,0,0]=4 2725 B11R1.43 CCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210202 [0,0,1,1,0,0|1,0,0]=3 2726 B11R1.43 O=C(O)CC1CCN(C1)CF 269956a_100000719201_100015361967 [0,0,1,1,0,0|2,0,0]=4 2727 B11R1.77 CC(=O)CC(C)N1CCCC1 1458a_100000070787_200015187269 [0,0,1,1,0,0|2,0,0]=4 2728 B11R1.77 CC(=O)CN(C)C1CCCC1 1458a_100073796569_200000210301 [0,0,1,1,0,0|2,0,0]=4 2729 B11R1.77 CC(=O)NC(C)C1CCCC1 11a_100015185923_100015343762 [0,0,1,1,0,0|2,0,0]=4 2730 B11R1.77 CC(=O)NC(C)C1CCCC1 1626a_100015185923_100015343762 [0,0,1,1,0,0|2,0,0]=4 2731 B11R1.77 CC(=O)NC(C)C1CCCC1 240690a_100015185923_100015343762 [0,0,1,1,0,0|2,0,0]=4 2732 B11R1.77 CC(=O)NC(C)C1CCCC1 527a_100015185923_100103153847 [0,0,1,1,0,0|2,0,0]=4 2733 B11R1.77 CN(CC(=O)N)C1CCCC1 2230a_100000207505_100000747473 [0,0,1,1,0,0|2,0,0]=4 2734 B11R1.77 CN(CC(=O)N)C1CCCC1 2230a_100000739694_100000179811 [0,0,1,1,0,0|2,0,0]=4 2735 B11R1.77 CN(CC(=O)N)C1CCCC1 269982a_100000207505_100000187820 [0,0,1,1,0,0|2,0,0]=4 2736 B11R1.77 CN(CC(=O)N)C1CCCC1 270004a_100000739694_100000210133 [0,0,1,1,0,0|2,0,0]=4 2737 B11R1.77 CN(CC(=O)N)C1CCCC1 34a_100000207505_100000187820 [0,0,1,1,0,0|2,0,0]=4 2738 B11R1.77 CN(CC(=O)O)C1CCCC1 269956a_100000746989_100000179811 [0,0,1,1,0,0|1,0,0]=3 2739 B11R1.77 CN(CC(=O)O)C1CCOC1 269956a_100000746989_100000731011 [0,0,1,1,0,0|2,0,0]=4 2740 B11R1.77 CN(CC(=O)[13CH3])C1CCCC1 1458a_100073796569_200025704644 [0,0,1,1,0,0|2,0,0]=4 2741 B11R1.77 CN(CC(=O)[O-])C1CCCC1 269982a_100000207505_100020667443 [0,0,1,1,0,0|1,0,1]=4 2742 B11R1.77 CN(CC(=O)[O-])C1CCCC1 34a_100000207505_100020667443 [0,0,1,1,0,0|1,0,1]=4 2743 B11R1.120 CCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210207 [0,0,1,1,0,0|1,0,0]=3 2744 B11R1.120 COCN1CC(C1)CC(=O)O 269956a_100016993960_100000766300 [0,0,1,1,0,0|2,0,0]=4 2745 B11R1.120 CSCN1CC(C1)CC(=O)O 269956a_100016993960_100011218213 [0,0,1,1,0,0|2,0,0]=4 2746 B11R1.120 O=C(O)CC1CN(C1)CCF 269956a_100016993960_100011217306 [0,0,1,1,0,0|2,0,0]=4 2747 B11R1.120 O=C(O)CC1CN(C1)CCO 269956a_100016993960_100000211926 [0,0,1,1,0,0|2,0,0]=4 2748 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,0,1,1,0,0|2,0,0]=4 2749 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,0,1,1,0,0|1,0,0]=3 2750 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,0,1,1,0,0|2,0,0]=4 2751 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,0,1,1,0,0|1,0,0]=3 2752 B11R1.156 CC(=O)N1C(CCCC1C)C 11a_100000210447_100015343762 [0,0,1,1,0,0|2,0,0]=4 2753 B11R1.156 CC(=O)N1C(CCCC1C)C 240690a_100000210447_100015343762 [0,0,1,1,0,0|2,0,0]=4 2754 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,0,1,1,0,0|1,0,0]=3 2755 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,0,1,1,0,0|2,0,0]=4 2756 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,0,1,1,0,0|2,0,0]=4 2757 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,0,1,1,0,0|2,0,0]=4 2758 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,0,1,1,0,0|2,0,0]=4 2759 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,0,1,1,0,0|2,0,0]=4 2760 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,0,1,1,0,0|1,0,0]=3 2761 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,0,1,1,0,0|1,0,0]=3 2762 B11R1.157 CN1CCOC(C1)CC(=O)O 269956a_100015183369_200000210301 [0,0,1,1,0,0|2,0,0]=4 2763 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 2230a_100000717927_100000747473 [0,0,1,1,0,0|2,0,0]=4 2764 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 269982a_100000717927_100000187820 [0,0,1,1,0,0|2,0,0]=4 2765 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 34a_100000717927_100000187820 [0,0,1,1,0,0|2,0,0]=4 2766 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 269982a_100000717927_100020667443 [0,0,1,1,0,0|1,0,1]=4 2767 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 34a_100000717927_100020667443 [0,0,1,1,0,0|1,0,1]=4 2768 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,0,1,1,0,0|1,0,0]=3 2769 B11R1.157 [13CH3]N1CCOC(C1)CC(=O)O 269956a_100015183369_200025704644 [0,0,1,1,0,0|2,0,0]=4 2770 B11R1.484 CN(CC(=O)N)CC1CCC1 2230a_100000739694_100000763275 [0,0,1,1,0,0|2,0,0]=4 2771 B11R1.484 CN(CC(=O)N)CC1CCC1 2230a_200000750244_100000747473 [0,0,1,1,0,0|2,0,0]=4 2772 B11R1.484 CN(CC(=O)N)CC1CCC1 269982a_200000750244_100000187820 [0,0,1,1,0,0|2,0,0]=4 2773 B11R1.484 CN(CC(=O)N)CC1CCC1 34a_200000750244_100000187820 [0,0,1,1,0,0|2,0,0]=4 2774 B11R1.484 CN(CC(=O)O)CC1CCC1 269956a_100000746989_100000763275 [0,0,1,1,0,0|1,0,0]=3 2775 B11R1.484 CN(CC(=O)O)CC1CCO1 269956a_100000746989_100000103362 [0,0,1,1,0,0|2,0,0]=4 2776 B11R1.484 CN(CC(=O)O)CC1COC1 269956a_100000746989_100010264016 [0,0,1,1,0,0|2,0,0]=4 2777 B11R1.484 CN(CC(=O)[O-])CC1CCC1 269982a_200000750244_100020667443 [0,0,1,1,0,0|1,0,1]=4 2778 B11R1.484 CN(CC(=O)[O-])CC1CCC1 34a_200000750244_100020667443 [0,0,1,1,0,0|1,0,1]=4 2779 B11R1.485 CN(CCC1CC1)CC(=O)N 2230a_100000739694_100000694398 [0,0,1,1,0,0|2,0,0]=4 2780 B11R1.485 CN(CCC1CC1)CC(=O)O 269956a_100000746989_100000694398 [0,0,1,1,0,0|1,0,0]=3 2781 B11R1.485 CN(CCC1CO1)CC(=O)O 269956a_100000746989_100000732470 [0,0,1,1,0,0|2,0,0]=4 2782 B11R1.485 O=C(O)CC(O)CNC1CC1 269956a_100011218706_100000211595 [0,0,1,1,0,0|2,0,0]=4 2783 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,1,1,0,0|1,0,0]=3 2784 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,1,1,0,0|1,0,0]=3 2785 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,1,1,0,0|2,0,0]=4 2786 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,1,1,0,0|2,0,0]=4 2787 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,1,1,0,0|2,0,0]=4 2788 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,1,1,0,0|2,0,0]=4 2789 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,1,1,0,0|2,0,0]=4 2790 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,0,1,1,0,0|2,0,0]=4 2791 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,0,1,1,0,0|2,0,0]=4 2792 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,0,1,1,0,0|2,0,0]=4 2793 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,0,1,1,0,0|1,0,1]=4 2794 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,0,1,1,0,0|1,0,1]=4 2795 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,1,1,0,0|1,0,0]=3 2796 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,1,1,0,0|2,0,0]=4 2797 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,0,1,1,0,0|2,0,0]=4 2798 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,0,1,1,0,0|2,0,0]=4 2799 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,0,1,1,0,0|2,0,0]=4 2800 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,0,1,1,0,0|2,0,0]=4 2801 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,0,1,1,0,0|2,0,0]=4 2802 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,0,1,1,0,0|2,0,0]=4 2803 B11R1.287 CCCCN(C)C1CC(=O)C1 269982a_100000207549_100009894365 [0,0,1,1,0,0|2,0,0]=4 2804 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,0,1,1,0,0|1,0,1]=4 2805 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,0,1,1,0,0|1,0,0]=3 2806 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,0,1,1,0,0|2,0,0]=4 2807 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [0,0,1,1,0,0|2,0,0]=4 2808 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,0,1,1,0,0|2,0,0]=4 2809 B11R1.20 CC(=O)NC1CCN(CC1)C 11a_100000198570_100015343762 [0,0,1,1,0,0|2,0,0]=4 2810 B11R1.20 CC(=O)NC1CCN(CC1)C 2230a_100000747453_200000210301 [0,0,1,1,0,0|2,0,0]=4 2811 B11R1.20 CC(=O)NC1CCN(CC1)C 240690a_100000198570_100015343762 [0,0,1,1,0,0|2,0,0]=4 2812 B11R1.20 CC(=O)NC1CCN(CC1)C 269982a_100000747453_200000210301 [0,0,1,1,0,0|2,0,0]=4 2813 B11R1.20 CC(=O)NC1CCN(CC1)C 527a_100000198570_100103153847 [0,0,1,1,0,0|2,0,0]=4 2814 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 2230a_100000747453_200025704644 [0,0,1,1,0,0|2,0,0]=4 2815 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 269982a_100000747453_200025704644 [0,0,1,1,0,0|2,0,0]=4 2816 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [0,0,1,1,0,0|1,0,0]=3 2817 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [0,0,1,1,0,0|1,0,0]=3 2818 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [0,0,1,1,0,0|1,0,0]=3 2819 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100015343762 [0,0,1,1,0,0|2,0,0]=4 2820 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100015343762 [0,0,1,1,0,0|2,0,0]=4 2821 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,0,1,1,0,0|1,0,1]=4 2822 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,0,1,1,0,0|1,0,0]=3 2823 B11R1.20 CC1CCC(CC1)OC(C)C 34a_100000210714_100000210206 [0,0,1,1,0,0|1,0,1]=4 2824 B11R1.20 CC1CCC(CC1)OC(C)C 34a_100000212225_200011216234 [0,0,1,1,0,0|1,0,1]=4 2825 B11R1.20 CC1CCC(CC1)OC(C)C 7a_100000210714_100000210206 [0,0,1,1,0,0|1,0,1]=4 2826 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,0,1,1,0,0|2,0,0]=4 2827 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [0,0,1,1,0,0|2,0,0]=4 2828 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,0,1,1,0,0|2,0,0]=4 2829 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [0,0,1,1,0,0|2,0,0]=4 2830 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,0,1,1,0,0|1,0,0]=3 2831 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,0,1,1,0,0|1,0,0]=3 2832 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,0,1,1,0,0|1,0,0]=3 2833 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,0,1,1,0,0|1,0,0]=3 2834 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,0,1,1,0,0|2,0,0]=4 2835 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,0,1,1,0,0|2,0,0]=4 2836 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [0,0,1,1,0,0|2,0,0]=4 2837 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [0,0,1,1,0,0|2,0,0]=4 2838 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [0,0,1,1,0,0|2,0,0]=4 2839 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [0,0,1,1,0,0|2,0,0]=4 2840 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,0,1,1,0,0|2,0,0]=4 2841 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,0,1,1,0,0|1,0,0]=3 2842 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,0,1,1,0,0|1,0,0]=3 2843 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,0,1,1,0,0|1,0,0]=3 2844 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,0,1,1,0,0|1,0,0]=3 2845 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,0,1,1,0,0|2,0,0]=4 2846 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,0,1,1,0,0|2,0,0]=4 2847 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,0,1,1,0,0|2,0,0]=4 2848 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,0,1,1,0,0|2,0,0]=4 2849 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,0,1,1,0,0|2,0,0]=4 2850 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,0,1,1,0,0|2,0,0]=4 2851 B11R1.86 CC(C)OC1CCCCC1C 34a_100000211207_100000210206 [0,0,1,1,0,0|1,0,1]=4 2852 B11R1.86 CC(C)OC1CCCCC1C 7a_100000211207_100000210206 [0,0,1,1,0,0|1,0,1]=4 2853 B11R1.319 CCCCC(CC)OC1CC1 34a_100011215227_100000211595 [0,0,1,1,0,0|1,0,1]=4 2854 B11R1.918 COCCC1(CC1)NC(=O)C 11a_100020603293_100015343762 [0,0,1,1,0,0|2,0,0]=4 2855 B11R1.918 COCCC1(CC1)NC(=O)C 1626a_100020603293_100015343762 [0,0,1,1,0,0|2,0,0]=4 2856 B11R1.918 COCCC1(CC1)NC(=O)C 240690a_100020603293_100015343762 [0,0,1,1,0,0|2,0,0]=4 2857 B11R1.918 COCCC1(CC1)NC(=O)C 527a_100020603293_100103153847 [0,0,1,1,0,0|2,0,0]=4 2858 B11R1.1062 CC(=O)NC1(CCCC1)CO 240690a_100000749328_100015343762 [0,0,1,1,0,0|2,0,0]=4 2859 B11R1.1062 CC(=O)NC1(CCCC1)CO 527a_100000749328_100103153847 [0,0,1,1,0,0|2,0,0]=4 2860 B11R1.1062 CCC1(CCCC1)NC(=O)C 11a_100015183760_100015343762 [0,0,1,1,0,0|1,0,0]=3 2861 B11R1.1062 CCC1(CCCC1)NC(=O)C 1626a_100015183760_100015343762 [0,0,1,1,0,0|1,0,0]=3 2862 B11R1.1062 CCC1(CCCC1)NC(=O)C 240690a_100015183760_100015343762 [0,0,1,1,0,0|1,0,0]=3 2863 B11R1.1062 CCC1(CCCC1)NC(=O)C 527a_100015183760_100103153847 [0,0,1,1,0,0|1,0,0]=3 2864 B11R1.1062 CCC1(CCCC1)OC(C)C 7a_100000752416_100000210206 [0,0,1,1,0,0|1,0,1]=4 2865 B11R1.126 CC1CCN(C1(C)C)CC=O 2230a_102516457003_200015260668 [0,0,1,1,0,0|2,0,0]=4 2866 B11R1.126 CC1CCN(C1(C)C)CC=O 269982a_102516457003_200015260668 [0,0,1,1,0,0|2,0,0]=4 2867 B11R1.126 CC1CCN(C1(C)C)CC=O 34a_102516457003_200009817547 [0,0,1,1,0,0|2,0,0]=4 2868 B11R1.806 CC(C)N(CC=O)CC1CC1 2230a_100000738798_200015260668 [0,0,1,1,0,0|2,0,0]=4 2869 B11R1.806 CC(C)N(CC=O)CC1CC1 269982a_100000738798_200015260668 [0,0,1,1,0,0|2,0,0]=4 2870 B11R1.806 CC(C)N(CC=O)CC1CC1 34a_100000738798_200009817547 [0,0,1,1,0,0|2,0,0]=4 2871 B11R2.351 O=C1CCC(C1)OC2CC2 34a_100012614533_100000211595 [1,0,0,1,0,0|2,0,0]=4 2872 B11R2.351 O=C1OCC(O1)NC2CC2 34a_100000212008_100000032252 [1,0,0,1,0,0|2,0,0]=4 2873 B13R2.4014 CN1CC(=O)NC12CCCCC2 2230a_200015869604_200000210301 [0,1,0,1,0,0|2,0,0]=4 2874 B13R2.4014 CN1CC(=O)NC12CCCCC2 34a_200015869604_200000210301 [0,1,0,1,0,0|2,0,0]=4 2875 B13R2.4014 [13CH3]N1CC(=O)NC12CCCCC2 2230a_200015869604_200025704644 [0,1,0,1,0,0|2,0,0]=4 2876 B13R2.4014 [13CH3]N1CC(=O)NC12CCCCC2 34a_200015869604_200025704644 [0,1,0,1,0,0|2,0,0]=4 2877 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,0,1,0,1,0|2,0,0]=4 2878 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,0,1,0,1,0|2,0,0]=4 2879 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,0,1,0,1,0|1,0,0]=3 2880 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,0,1,0,1,0|1,0,0]=3 2881 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,0,1,0,1,0|1,0,0]=3 2882 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,0,1,0,1,0|2,0,0]=4 2883 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,0,1,0,1,0|2,0,0]=4 2884 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,0,1,0,1,0|2,0,0]=4 2885 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,0,1,0,1,0|2,0,0]=4 2886 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,0,1,0,1,0|2,0,0]=4 2887 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,0,1,0,1,0|2,0,0]=4 2888 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,0,1,0,1,0|2,0,0]=4 2889 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,0,1,0,1,0|2,0,0]=4 2890 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,0,1,0,1,0|1,0,0]=3 2891 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,0,1,0,1,0|2,0,0]=4 2892 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,0,1,0,1,0|2,0,0]=4 2893 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,0,1,0,1,0|2,0,0]=4 2894 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,0,1,0,1,0|2,0,0]=4 2895 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,0,1,0,1,0|2,0,0]=4 2896 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,0,1,0,1,0|2,0,0]=4 2897 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,0,1,0,1,0|1,0,1]=4 2898 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,0,1,0,1,0|2,0,0]=4 2899 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,0,1,0,1,0|2,0,0]=4 2900 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,0,1,0,1,0|2,0,0]=4 2901 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,0,1,0,1,0|2,0,0]=4 2902 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,0,1,0,1,0|2,0,0]=4 2903 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,0,1,0,1,0|2,0,0]=4 2904 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,0,1,0,1,0|2,0,0]=4 2905 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,0,1,0,1,0|2,0,0]=4 2906 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,0,1,0,1,0|1,0,0]=3 2907 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,0,1,0,1,0|2,0,0]=4 2908 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,0,1,0,1,0|2,0,0]=4 2909 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,0,1,0,1,0|2,0,0]=4 2910 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,0,1,0,1,0|2,0,0]=4 2911 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,0,1,0,1,0|2,0,0]=4 2912 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,0,1,0,1,0|2,0,0]=4 2913 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,0,1,0,1,0|2,0,0]=4 2914 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,0,1,0,1,0|2,0,0]=4 2915 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,0,1,0,1,0|2,0,0]=4 2916 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,0,1,0,1,0|2,0,0]=4 2917 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [1,0,0,0,1,0|2,0,0]=4 2918 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [1,0,0,0,1,0|2,0,0]=4 2919 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [1,0,0,0,1,0|2,0,0]=4 2920 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [1,0,0,0,1,0|2,0,0]=4 2921 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [1,0,0,0,1,0|2,0,0]=4 2922 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [1,0,0,0,1,0|1,0,0]=3 2923 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [1,0,0,0,1,0|1,0,0]=3 2924 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [1,0,0,0,1,0|1,0,0]=3 2925 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [1,0,0,0,1,0|1,0,0]=3 2926 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [1,0,0,0,1,0|1,0,0]=3 2927 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [1,0,0,0,1,0|2,0,0]=4 2928 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [1,0,0,0,1,0|2,0,0]=4 2929 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [1,0,0,0,1,0|1,0,0]=3 2930 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [1,0,0,0,1,0|1,0,0]=3 2931 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [1,0,0,0,1,0|2,0,0]=4 2932 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [1,0,0,0,1,0|2,0,0]=4 2933 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [1,0,0,0,1,0|2,0,0]=4 2934 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [1,0,0,0,1,0|2,0,0]=4 2935 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [1,0,0,0,1,0|2,0,0]=4 2936 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [1,0,0,0,1,0|2,0,0]=4 2937 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [1,0,0,0,1,0|2,0,0]=4 2938 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [1,0,0,0,1,0|2,0,0]=4 2939 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [1,0,0,0,1,0|2,0,0]=4 2940 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [1,0,0,0,1,0|2,0,0]=4 2941 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [1,0,0,0,1,0|1,0,0]=3 2942 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [1,0,0,0,1,0|1,0,0]=3 2943 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [0,0,1,0,0,1|2,0,0]=4 2944 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [0,0,1,0,0,1|2,0,0]=4 2945 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [0,0,1,0,0,1|2,0,0]=4 2946 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [0,0,1,0,0,1|2,0,0]=4 2947 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [0,0,1,0,0,1|2,0,0]=4 2948 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [0,0,1,0,0,1|2,0,0]=4 2949 B11R0.46 C=C(F)CNC(C)CCCCC 2230a_100000211957_100009893438 [0,0,1,0,0,1|2,0,0]=4 2950 B11R0.46 C=C(F)COC(C)CCCCC 34a_100011215632_100009893438 [0,0,1,0,0,1|2,0,0]=4 2951 B11R0.46 C=C(F)COC(C)CCCCC 34a_200010262243_200011218191 [0,0,1,0,0,1|2,0,0]=4 2952 B11R0.46 C=C(F)COC(C)CCCCC 7a_100011215632_100000042424 [0,0,1,0,0,1|2,0,0]=4 2953 B11R0.46 C=C(F)CSC(C)CCCCC 62a_100000042424_200011218191 [0,0,1,0,0,1|2,0,0]=4 2954 B11R0.46 C=C(F)CSC(C)CCCCC 62a_200011218191_100000042424 [0,0,1,0,0,1|2,0,0]=4 2955 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,0,1,0,0,1|1,0,0]=3 2956 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,0,1,0,0,1|1,0,0]=3 2957 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [0,0,1,0,0,1|1,0,0]=3 2958 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [0,0,1,0,0,1|1,0,0]=3 2959 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,0,1,0,0,1|0,0,0]=2 2960 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000210904_200011218191 [0,0,1,0,0,1|1,0,1]=4 2961 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000211957_100011218427 [0,0,1,0,0,1|1,0,1]=4 2962 B11R0.46 CCCCCC(C)NCC(C)O 270004a_100000210904_100000211708 [0,0,1,0,0,1|1,0,1]=4 2963 B11R0.46 CCCCCC(C)NCC(C)O 34a_100000210904_200011218191 [0,0,1,0,0,1|1,0,1]=4 2964 B11R0.46 CCCCCC(C)NC[C@@H](C)O 2230a_100000211957_100009817552 [0,0,1,0,0,1|1,0,1]=4 2965 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,0,1,0,0,1|1,0,0]=3 2966 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [0,0,1,0,0,1|1,0,0]=3 2967 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [0,0,1,0,0,1|1,0,0]=3 2968 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [0,0,1,0,0,1|0,0,1]=3 2969 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [0,0,1,0,0,1|1,0,1]=4 2970 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [0,0,1,0,0,1|1,0,1]=4 2971 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [0,0,1,0,0,1|1,0,1]=4 2972 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [0,0,1,0,0,1|1,0,1]=4 2973 B11R0.46 CCCCCC(C)OC[N+](=O)[O-] 34a_100011215632_100000761209 [0,0,1,0,0,1|1,0,1]=4 2974 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [0,0,1,0,0,1|1,0,0]=3 2975 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [0,0,1,0,0,1|1,0,0]=3 2976 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [0,0,1,0,0,1|0,0,1]=3 2977 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [0,0,1,0,0,1|0,0,1]=3 2978 B11R0.46 CCCCCC(C)SCC(C)O 62a_100011218427_200011218191 [0,0,1,0,0,1|1,0,1]=4 2979 B11R0.46 CCCCCC(C)SCC(C)O 62a_200011218191_100011218427 [0,0,1,0,0,1|1,0,1]=4 2980 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218191 [0,0,1,0,0,1|1,0,1]=4 2981 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_200011218191_100009817552 [0,0,1,0,0,1|1,0,1]=4 2982 B11R0.46 CCCCCC(C)SC[N+](=O)[O-] 62a_200011218191_100000761209 [0,0,1,0,0,1|1,0,1]=4 2983 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,0,1,0,0,1|2,0,0]=4 2984 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,0,1,0,0,1|2,0,0]=4 2985 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [0,0,1,0,0,1|2,0,0]=4 2986 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [0,0,1,0,0,1|2,0,0]=4 2987 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [0,0,1,0,0,1|2,0,0]=4 2988 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,0,1,0,0,1|2,0,0]=4 2989 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,0,1,0,0,1|2,0,0]=4 2990 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [0,0,1,0,0,1|2,0,0]=4 2991 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [0,0,1,0,0,1|2,0,0]=4 2992 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [0,0,1,0,0,1|2,0,0]=4 2993 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [0,0,1,0,0,1|2,0,0]=4 2994 B11R0.46 COCCCC(C)OCC(=O)N 34a_200011539412_100000187820 [0,0,1,0,0,1|2,0,0]=4 2995 B11R0.46 COCCCC(C)OCC(=O)N 7a_200011539412_100000187820 [0,0,1,0,0,1|2,0,0]=4 2996 B11R0.46 COCCCC(C)OCC(=O)[O-] 34a_200011539412_100020667443 [0,0,1,0,0,1|1,0,1]=4 2997 B11R0.164 C=C(C)COC(CC)CCCC 34a_100000210245_200011216223 [0,0,1,0,0,1|1,0,0]=3 2998 B11R0.164 C=C(C)COC(CC)CCCC 34a_100011215227_100000748629 [0,0,1,0,0,1|1,0,0]=3 2999 B11R0.164 C=C(C)COC(CC)CCCC 7a_100011215227_100000748629 [0,0,1,0,0,1|1,0,0]=3 3000 B11R0.164 C=C(C)CSC(CC)CCCC 62a_100000748629_200011216223 [0,0,1,0,0,1|1,1,0]=4 3001 B11R0.164 C=C(C)CSC(CC)CCCC 62a_200011216223_100000211660 [0,0,1,0,0,1|1,1,0]=4 3002 B11R0.164 C=C(F)COC(CC)CCCC 34a_100011215227_100009893438 [0,0,1,0,0,1|1,0,1]=4 3003 B11R0.164 C=C(F)COC(CC)CCCC 34a_200010262243_200011216223 [0,0,1,0,0,1|1,0,1]=4 3004 B11R0.164 C=C(F)COC(CC)CCCC 7a_100011215227_100000042424 [0,0,1,0,0,1|1,0,1]=4 3005 B11R0.164 CCCCC(=NNC(=O)C)CC 4a_100000189765_100000753412 [0,0,1,0,0,1|1,0,1]=4 3006 B11R0.164 CCCCC(CC)CCC(=O)C 1458a_100011216959_200000210301 [0,0,1,0,0,1|1,0,0]=3 3007 B11R0.164 CCCCC(CC)CCC(=O)[13CH3] 1458a_100011216959_200025704644 [0,0,1,0,0,1|1,0,0]=3 3008 B11R0.164 CCCCC(CC)CNC(=O)C 11a_100000209976_100015343762 [0,0,1,0,0,1|1,0,0]=3 3009 B11R0.164 CCCCC(CC)CNC(=O)C 1626a_100000209976_100015343762 [0,0,1,0,0,1|1,0,0]=3 3010 B11R0.164 CCCCC(CC)CNC(=O)C 240690a_100000209976_100015343762 [0,0,1,0,0,1|1,0,0]=3 3011 B11R0.164 CCCCC(CC)CNC(=O)C 527a_100000209976_100103153847 [0,0,1,0,0,1|1,0,0]=3 3012 B11R0.164 CCCCC(CC)COC(C)C 34a_100000210273_100000210206 [0,0,1,0,0,1|1,0,1]=4 3013 B11R0.164 CCCCC(CC)COC(C)C 34a_100000212225_100000211942 [0,0,1,0,0,1|1,0,1]=4 3014 B11R0.164 CCCCC(CC)COC(C)C 7a_100000210273_100000210206 [0,0,1,0,0,1|1,0,1]=4 3015 B11R0.164 CCCCC(CC)NCC(=O)O 269956a_100016091260_200011216223 [0,0,1,0,0,1|2,0,0]=4 3016 B11R0.164 CCCCC(CC)OCC(=O)C 34a_100000211253_200011216223 [0,0,1,0,0,1|0,0,0]=2 3017 B11R0.164 CCCCC(CC)OCC(=O)N 34a_100011215227_100000187820 [0,0,1,0,0,1|1,0,0]=3 3018 B11R0.164 CCCCC(CC)OCC(=O)N 7a_100011215227_100000187820 [0,0,1,0,0,1|1,0,0]=3 3019 B11R0.164 CCCCC(CC)OCC(=O)[O-] 34a_100011215227_100020667443 [0,0,1,0,0,1|1,0,0]=3 3020 B11R0.164 CCCCC(CC)OCC(C)Br 34a_100012180447_200011216223 [0,0,1,0,0,1|1,0,1]=4 3021 B11R0.164 CCCCC(CC)OCC(C)C 34a_100000210257_200011216223 [0,0,1,0,0,1|1,0,1]=4 3022 B11R0.164 CCCCC(CC)OCC(C)C 34a_100011215227_100000210624 [0,0,1,0,0,1|1,0,1]=4 3023 B11R0.164 CCCCC(CC)OCC(C)C 7a_100011215227_100000210760 [0,0,1,0,0,1|1,0,1]=4 3024 B11R0.164 CCCCC(CC)OCC(C)F 34a_100015925927_200011216223 [0,0,1,0,0,1|1,0,1]=4 3025 B11R0.164 CCCCC(CC)OCC(C)O 34a_100011215227_100011218427 [0,0,1,0,0,1|0,0,2]=4 3026 B11R0.164 CCCCC(CC)OCC(C)O 7a_100011215227_100011218427 [0,0,1,0,0,1|0,0,2]=4 3027 B11R0.164 CCCCC(CC)OC[C@@H](C)Cl 34a_100016084084_200011216223 [0,0,1,0,0,1|1,0,1]=4 3028 B11R0.164 CCCCC(CC)OC[C@@H](C)N 34a_100000737577_200011216223 [0,0,1,0,0,1|1,0,1]=4 3029 B11R0.164 CCCCC(CC)OC[C@@H](C)O 34a_100011215227_100009817552 [0,0,1,0,0,1|0,0,2]=4 3030 B11R0.164 CCCCC(CC)OC[C@@H](C)O 7a_100011215227_100009817552 [0,0,1,0,0,1|0,0,2]=4 3031 B11R0.164 CCCCC(CC)OC[N+](=O)[O-] 34a_100011215227_100000761209 [0,0,1,0,0,1|2,0,0]=4 3032 B11R0.164 CCCCC(CC)SCC(=O)N 62a_100000747473_200011216223 [0,0,1,0,0,1|1,1,0]=4 3033 B11R0.164 CCCCC(CC)SCC(=O)N 62a_200011216223_100000747473 [0,0,1,0,0,1|1,1,0]=4 3034 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_100020667443_200011216223 [0,0,1,0,0,1|1,1,0]=4 3035 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_200011216223_100020667443 [0,0,1,0,0,1|1,1,0]=4 3036 B11R0.164 CCCCN(CC)CCC(=O)C 269982a_100000207695_100000053229 [0,0,1,0,0,1|2,0,0]=4 3037 B11R0.164 CCCCN(CC)COC(=O)C 269982a_100000207695_100000076356 [0,0,1,0,0,1|1,0,0]=3 3038 B11R0.164 CCCOC(CCl)COC(=O)C 7a_200000139349_100000210303 [0,0,1,0,0,1|2,0,0]=4 3039 B11R0.164 CCN(CCOC)COC(=O)C 269982a_100000731262_100000076356 [0,0,1,0,0,1|2,0,0]=4 3040 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [1,0,0,0,0,1|2,0,0]=4 3041 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [1,0,0,0,0,1|2,0,0]=4 3042 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [1,0,0,0,0,1|2,0,0]=4 3043 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [1,0,0,0,0,1|2,0,0]=4 3044 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [1,0,0,0,0,1|2,0,0]=4 3045 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [1,0,0,0,0,1|2,0,0]=4 3046 B13R1.1927 CCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210211 [0,0,0,0,0,2|2,0,0]=4 3047 B13R1.1927 CCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210211 [0,0,0,0,0,2|2,0,0]=4 3048 B13R1.1927 CCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210210 [0,0,0,0,0,2|2,0,0]=4