0 B13R1.190 CCCCSCc1oc(=O)oc1C 62a_100000210211_100000068490 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [1,0,0,0,0,0|2,0,0]=3 27 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [1,0,0,0,0,0|2,0,0]=3 28 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [1,0,0,0,0,0|2,0,0]=3 30 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [1,0,0,0,0,0|2,0,0]=3 31 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [1,0,0,0,0,0|2,0,0]=3 32 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.7 CCCSCCC1COS(=O)O1 62a_100000210303_100009840081 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.7 CCOCCNC1COC(=O)O1 34a_102516460346_100000032252 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.7 CCOCCOC1COC(=O)O1 34a_100000210136_100000032252 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.7 CCOCCSC1COC(=O)O1 62a_100000210147_100000032252 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000181169_100000739092 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000739092_100000181169 [1,0,0,0,0,0|3,0,0]=4 41 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000073702_100000739092 [1,0,0,0,0,0|3,0,0]=4 42 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000739092_100000073702 [1,0,0,0,0,0|3,0,0]=4 43 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100000739092_100015189358 [1,0,0,0,0,0|3,0,0]=4 44 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000739092 [1,0,0,0,0,0|3,0,0]=4 45 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [1,0,0,0,0,0|3,0,0]=4 46 B12R1.7 CCSCCOC1COC(=O)O1 34a_100000212035_100000032252 [1,0,0,0,0,0|3,0,0]=4 47 B12R1.7 CCSCCSC1COC(=O)O1 62a_100000757381_100000032252 [1,0,0,0,0,0|3,0,0]=4 48 B12R1.7 CNCCCOC1COC(=O)O1 34a_100000213112_100000032252 [1,0,0,0,0,0|3,0,0]=4 49 B12R1.7 COCCCNC1COC(=O)O1 34a_100150723488_100000032252 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [1,0,0,0,0,0|3,0,0]=4 51 B12R1.7 COCCCOC1COC(=O)O1 34a_100000740835_100000032252 [1,0,0,0,0,0|3,0,0]=4 52 B12R1.7 COCCCSC1COC(=O)O1 62a_100000709357_100000032252 [1,0,0,0,0,0|3,0,0]=4 53 B12R1.7 COCCNCC1CNC(=O)O1 2230a_100000209980_100000181169 [1,0,0,0,0,0|3,0,0]=4 54 B12R1.7 COCCNC[C@@H]1CCC(=O)N1 2230a_100000209980_100015189358 [1,0,0,0,0,0|3,0,0]=4 55 B12R1.7 COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011201679 [1,0,0,0,0,0|3,0,0]=4 56 B12R1.7 COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011201679 [1,0,0,0,0,0|3,0,0]=4 57 B12R1.7 COCCOCC1CCC(=O)N1 34a_100000737831_100011201679 [1,0,0,0,0,0|3,0,0]=4 58 B12R1.7 COCCOCC1CNC(=O)O1 34a_100000210237_100000181169 [1,0,0,0,0,0|3,0,0]=4 59 B12R1.7 COCCOCC1CNC(=O)O1 34a_100011315639_100011201679 [1,0,0,0,0,0|3,0,0]=4 60 B12R1.7 COCCOCC1COC(=O)O1 34a_100000210237_100000073702 [1,0,0,0,0,0|3,0,0]=4 61 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000181169_100000233755 [1,0,0,0,0,0|3,0,0]=4 62 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000233755_100000181169 [1,0,0,0,0,0|3,0,0]=4 63 B12R1.7 COCCSCC1COC(=O)O1 62a_100000073702_100000233755 [1,0,0,0,0,0|3,0,0]=4 64 B12R1.7 COCCSCC1COC(=O)O1 62a_100000233755_100000073702 [1,0,0,0,0,0|3,0,0]=4 65 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100000233755_100015189358 [1,0,0,0,0,0|3,0,0]=4 66 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000233755 [1,0,0,0,0,0|3,0,0]=4 67 B12R1.7 CSCCCOC1COC(=O)O1 34a_100000690336_100000032252 [1,0,0,0,0,0|3,0,0]=4 68 B12R1.7 CSCCNCC1CNC(=O)O1 2230a_100020590264_100000181169 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.7 CSCCNC[C@@H]1CCC(=O)N1 2230a_100020590264_100015189358 [1,0,0,0,0,0|3,0,0]=4 70 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000751147 [1,0,0,0,0,0|3,0,0]=4 71 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000212216 [1,0,0,0,0,0|3,0,0]=4 72 B12R1.7 CSCCOCC1CCC(=O)N1 34a_100000737831_100000212216 [1,0,0,0,0,0|3,0,0]=4 73 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100000230434_100000181169 [1,0,0,0,0,0|3,0,0]=4 74 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100011315639_100000212216 [1,0,0,0,0,0|3,0,0]=4 75 B12R1.7 CSCCOCC1CNC(=O)O1 7a_100000230434_100000181169 [1,0,0,0,0,0|3,0,0]=4 76 B12R1.7 CSCCOCC1COC(=O)O1 34a_100000230434_100000073702 [1,0,0,0,0,0|3,0,0]=4 77 B12R1.7 CSCCOC[C@@H]1CCC(=O)N1 7a_100000230434_100015189358 [1,0,0,0,0,0|3,0,0]=4 78 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000181169_100000751147 [1,0,0,0,0,0|3,0,0]=4 79 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000212216_100000181169 [1,0,0,0,0,0|3,0,0]=4 80 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000073702_100000751147 [1,0,0,0,0,0|3,0,0]=4 81 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000212216_100000073702 [1,0,0,0,0,0|3,0,0]=4 82 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100000212216_100015189358 [1,0,0,0,0,0|3,0,0]=4 83 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000751147 [1,0,0,0,0,0|3,0,0]=4 84 B12R1.7 NCCCCOC1COC(=O)O1 34a_100000750430_100000032252 [1,0,0,0,0,0|3,0,0]=4 85 B12R1.7 NCCCOCC1CNC(=O)O1 34a_100000182051_100000181169 [1,0,0,0,0,0|3,0,0]=4 86 B12R1.7 NCCCOCC1COC(=O)O1 34a_100000182051_100000073702 [1,0,0,0,0,0|3,0,0]=4 87 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [1,0,0,0,0,0|3,0,0]=4 88 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.7 O=C1CCC(N1)COCCCF 34a_100000737831_100011934791 [1,0,0,0,0,0|3,0,0]=4 90 B12R1.7 O=C1CCC(N1)COCCCO 34a_100000737831_100000230001 [1,0,0,0,0,0|3,0,0]=4 91 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 2230a_100015423886_100011934791 [1,0,0,0,0,0|3,0,0]=4 92 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 34a_100015423886_100011934791 [1,0,0,0,0,0|3,0,0]=4 93 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 2230a_100015423886_100000230001 [1,0,0,0,0,0|3,0,0]=4 94 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 34a_100015423886_100000230001 [1,0,0,0,0,0|3,0,0]=4 95 B12R1.7 O=C1CC[C@H](N1)CNCCCF 2230a_100015189416_100015189358 [1,0,0,0,0,0|3,0,0]=4 96 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100011934791_100015189358 [1,0,0,0,0,0|3,0,0]=4 97 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100015189358_100011934791 [1,0,0,0,0,0|3,0,0]=4 98 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100011215043_100015189358 [1,0,0,0,0,0|3,0,0]=4 99 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100015189358_100011215043 [1,0,0,0,0,0|3,0,0]=4 100 B12R1.7 O=C1NCC(O1)CNCCCF 2230a_100015189416_100000181169 [1,0,0,0,0,0|3,0,0]=4 101 B12R1.7 O=C1NCC(O1)CNCCCF 34a_100015189416_100000181169 [1,0,0,0,0,0|3,0,0]=4 102 B12R1.7 O=C1NCC(O1)COCCCBr 34a_100011217188_100000181169 [1,0,0,0,0,0|3,0,0]=4 103 B12R1.7 O=C1NCC(O1)COCCCCl 34a_100000230001_100000181169 [1,0,0,0,0,0|3,0,0]=4 104 B12R1.7 O=C1NCC(O1)COCCCF 34a_100000759539_100000181169 [1,0,0,0,0,0|3,0,0]=4 105 B12R1.7 O=C1NCC(O1)COCCCF 34a_100011315639_100011934791 [1,0,0,0,0,0|3,0,0]=4 106 B12R1.7 O=C1NCC(O1)COCCCO 34a_100011315639_100000230001 [1,0,0,0,0,0|3,0,0]=4 107 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100000181169_100011934791 [1,0,0,0,0,0|3,0,0]=4 108 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100011934791_100000181169 [1,0,0,0,0,0|3,0,0]=4 109 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100000181169_100011215043 [1,0,0,0,0,0|3,0,0]=4 110 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100011215043_100000181169 [1,0,0,0,0,0|3,0,0]=4 111 B12R1.7 O=C1OCC(O1)CNCCCF 34a_100015189416_100000073702 [1,0,0,0,0,0|3,0,0]=4 112 B12R1.7 O=C1OCC(O1)COCCCBr 34a_100011217188_100000073702 [1,0,0,0,0,0|3,0,0]=4 113 B12R1.7 O=C1OCC(O1)COCCCCl 34a_100000230001_100000073702 [1,0,0,0,0,0|3,0,0]=4 114 B12R1.7 O=C1OCC(O1)COCCCF 34a_100000759539_100000073702 [1,0,0,0,0,0|3,0,0]=4 115 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100000073702_100011934791 [1,0,0,0,0,0|3,0,0]=4 116 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100011934791_100000073702 [1,0,0,0,0,0|3,0,0]=4 117 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100000073702_100011215043 [1,0,0,0,0,0|3,0,0]=4 118 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100011215043_100000073702 [1,0,0,0,0,0|3,0,0]=4 119 B12R1.7 O=C1OCC(O1)NCCCCO 34a_100000750430_100000032252 [1,0,0,0,0,0|3,0,0]=4 120 B12R1.7 O=C1OCC(O1)OCCCCBr 34a_100011216708_100000032252 [1,0,0,0,0,0|3,0,0]=4 121 B12R1.7 O=C1OCC(O1)OCCCCCl 34a_100000210776_100000032252 [1,0,0,0,0,0|3,0,0]=4 122 B12R1.7 O=C1OCC(O1)OCCCCF 34a_100011995726_100000032252 [1,0,0,0,0,0|3,0,0]=4 123 B12R1.7 O=C1OCC(O1)OCCCCI 34a_200012148704_100000032252 [1,0,0,0,0,0|3,0,0]=4 124 B12R1.7 O=C1OCC(O1)SCCCCF 62a_100000729493_100000032252 [1,0,0,0,0,0|3,0,0]=4 125 B12R1.7 O=C1OCC(O1)SCCCCO 62a_100000210776_100000032252 [1,0,0,0,0,0|3,0,0]=4 126 B12R1.372 CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210314 [1,0,0,0,0,0|2,0,1]=4 127 B12R1.372 CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210757 [1,0,0,0,0,0|2,0,1]=4 128 B12R1.372 CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210314 [1,0,0,0,0,0|2,0,1]=4 129 B12R1.372 CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210757 [1,0,0,0,0,0|2,0,1]=4 130 B12R1.372 CCCCCCN1CCC[C@H]1C 34a_100015189458_100000210314 [1,0,0,0,0,0|2,0,1]=4 131 B12R1.372 CCCCCNC1CCCC1C 269862a_100000209983_100000752053 [1,0,0,0,0,0|2,0,1]=4 132 B12R1.372 CCCCCOC1CCCC1C 34a_100011216460_100000718602 [1,0,0,0,0,0|2,0,1]=4 133 B12R1.372 CCCCCOC1CCCC1C 7a_100011216460_100000210326 [1,0,0,0,0,0|2,0,1]=4 134 B12R1.372 CCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000718602 [1,0,0,0,0,0|3,0,0]=4 135 B14R1.3126 CCCCCSCc1oc(=O)oc1C 62a_100000210326_100000068490 [0,1,0,0,0,0|1,0,2]=4 136 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,0,1,0,0,0|1,0,2]=4 137 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,0,1,0,0,0|1,0,2]=4 138 B12R0.1 C#CCC(=O)NCCCCCCC 1626a_100000229938_100011220946 [0,0,1,0,0,0|1,0,2]=4 139 B12R0.1 C#CCC(=O)NCCCCCCC 527a_100000229938_100011220946 [0,0,1,0,0,0|1,0,2]=4 140 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,0,1,0,0,0|1,0,2]=4 141 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,0,1,0,0,0|1,0,2]=4 142 B12R0.1 C#CCCCNCOC(=O)CCC 34a_100000718082_100000034017 [0,0,1,0,0,0|1,0,2]=4 143 B12R0.1 C#CCCCOCOC(=O)CCC 34a_100000215630_100000034017 [0,0,1,0,0,0|1,0,2]=4 144 B12R0.1 C#CCCCSCOC(=O)CCC 62a_100011215417_100000034017 [0,0,1,0,0,0|1,0,2]=4 145 B12R0.1 C/C=C/CCOCOC(=O)CCC 34a_100016278192_100000034017 [0,0,1,0,0,0|1,0,2]=4 146 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,0,1,0,0,0|1,0,2]=4 147 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,0,1,0,0,0|1,0,2]=4 148 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,0,1,0,0,0|1,0,2]=4 149 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,0,1,0,0,0|1,0,2]=4 150 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,0,1,0,0,0|1,0,2]=4 151 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,0,1,0,0,0|1,0,2]=4 152 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,0,1,0,0,0|1,0,2]=4 153 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,0,1,0,0,0|1,0,2]=4 154 B12R0.1 C=CCCCNCOC(=O)CCC 2230a_100000700776_100000034017 [0,0,1,0,0,0|1,0,2]=4 155 B12R0.1 C=CCCCNCOC(=O)CCC 34a_100000700776_100000034017 [0,0,1,0,0,0|1,0,2]=4 156 B12R0.1 C=CCCCOCOC(=O)CCC 34a_100000758997_100000034017 [0,0,1,0,0,0|1,0,2]=4 157 B12R0.1 C=CCCCSCOC(=O)CCC 62a_100011713584_100000034017 [0,0,1,0,0,0|1,0,2]=4 158 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,0,1,0,0,0|1,0,2]=4 159 B12R0.1 CC#CCCOCOC(=O)CCC 34a_100000750427_100000034017 [0,0,1,0,0,0|1,0,2]=4 160 B12R0.1 CC/C=C\COCOC(=O)CCC 34a_100016268518_100000034017 [0,0,1,0,0,0|1,0,2]=4 161 B12R0.1 CC/C=C\CSCOC(=O)CCC 62a_100103147603_100000034017 [0,0,1,0,0,0|1,0,2]=4 162 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,0,1,0,0,0|1,0,2]=4 163 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,0,1,0,0,0|1,0,2]=4 164 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,0,1,0,0,0|1,0,2]=4 165 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,0,1,0,0,0|1,0,2]=4 166 B12R0.1 CCC#CCOCOC(=O)CCC 34a_100000032950_100000034017 [0,0,1,0,0,0|1,0,2]=4 167 B12R0.1 CCC#CCSCOC(=O)CCC 62a_100009813939_100000034017 [0,0,1,0,0,0|1,0,2]=4 168 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,0,1,0,0,0|2,0,1]=4 169 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,0,1,0,0,0|2,0,0]=3 170 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,0,1,0,0,0|2,0,0]=3 171 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,0,1,0,0,0|2,0,0]=3 172 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,0,1,0,0,0|3,0,0]=4 173 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [0,0,1,0,0,0|3,0,0]=4 174 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,0,1,0,0,0|3,0,0]=4 175 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,0,1,0,0,0|3,0,0]=4 176 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,0,1,0,0,0|3,0,0]=4 177 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,0,1,0,0,0|3,0,0]=4 178 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,0,1,0,0,0|3,0,0]=4 179 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,0,1,0,0,0|3,0,0]=4 180 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,0,1,0,0,0|3,0,0]=4 181 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,0,1,0,0,0|3,0,0]=4 182 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,0,1,0,0,0|3,0,0]=4 183 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,0,1,0,0,0|3,0,0]=4 184 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,0,1,0,0,0|3,0,0]=4 185 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,0,1,0,0,0|3,0,0]=4 186 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,0,1,0,0,0|3,0,0]=4 187 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,0,1,0,0,0|3,0,0]=4 188 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,0,1,0,0,0|3,0,0]=4 189 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,0,1,0,0,0|3,0,0]=4 190 B12R0.1 CCCC(=O)NCCCCCC#N 11a_100000061152_100000211992 [0,0,1,0,0,0|2,0,1]=4 191 B12R0.1 CCCC(=O)NCCCCCC#N 1626a_100000061152_100000211992 [0,0,1,0,0,0|2,0,1]=4 192 B12R0.1 CCCC(=O)NCCCCCC#N 240690a_100000061152_100000211992 [0,0,1,0,0,0|2,0,1]=4 193 B12R0.1 CCCC(=O)NCCCCCC#N 527a_100000061152_100000211992 [0,0,1,0,0,0|2,0,1]=4 194 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,0,1,0,0,0|2,0,0]=3 195 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,0,1,0,0,0|2,0,0]=3 196 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,0,1,0,0,0|2,0,0]=3 197 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,0,1,0,0,0|2,0,0]=3 198 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,0,1,0,0,0|2,0,0]=3 199 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,0,1,0,0,0|2,0,0]=3 200 B12R0.1 CCCC(=O)NCCOCCOC 11a_100000745349_100000211992 [0,0,1,0,0,0|3,0,0]=4 201 B12R0.1 CCCC(=O)NCCOCCOC 1626a_100000745349_100000211992 [0,0,1,0,0,0|3,0,0]=4 202 B12R0.1 CCCC(=O)NCCOCCOC 240690a_100000745349_100000211992 [0,0,1,0,0,0|3,0,0]=4 203 B12R0.1 CCCC(=O)NCCOCCOC 527a_100000745349_100000211992 [0,0,1,0,0,0|3,0,0]=4 204 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,0,1,0,0,0|2,0,0]=3 205 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,0,1,0,0,0|2,0,0]=3 206 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [0,0,1,0,0,0|2,0,0]=3 207 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [0,0,1,0,0,0|2,0,0]=3 208 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [0,0,1,0,0,0|2,0,0]=3 209 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [0,0,1,0,0,0|2,0,0]=3 210 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [0,0,1,0,0,0|2,0,0]=3 211 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [0,0,1,0,0,0|2,0,0]=3 212 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [0,0,1,0,0,0|2,0,0]=3 213 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [0,0,1,0,0,0|2,0,0]=3 214 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [0,0,1,0,0,0|2,0,0]=3 215 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [0,0,1,0,0,0|2,0,0]=3 216 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [0,0,1,0,0,0|2,0,0]=3 217 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [0,0,1,0,0,0|2,0,0]=3 218 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [0,0,1,0,0,0|2,0,0]=3 219 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [0,0,1,0,0,0|2,0,0]=3 220 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [0,0,1,0,0,0|2,0,0]=3 221 B12R0.1 CCCC(=O)OCSCCCC#N 62a_100000687738_100000034017 [0,0,1,0,0,0|2,0,1]=4 222 B12R0.1 CCCC(=O)OCSCCCC=O 62a_200011292268_100000034017 [0,0,1,0,0,0|2,0,1]=4 223 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [0,0,1,0,0,0|2,0,0]=3 224 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,0,1,0,0,0|2,0,0]=3 225 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [0,0,1,0,0,0|2,0,0]=3 226 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [0,0,1,0,0,0|2,0,0]=3 227 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [0,0,1,0,0,0|2,0,0]=3 228 B12R0.1 CCCC(C)OCCCCCCBr 34a_100011215345_100000766640 [0,0,1,0,0,0|2,0,1]=4 229 B12R0.1 CCCC(C)OCCCCCCBr 7a_100011215345_100000766640 [0,0,1,0,0,0|2,0,1]=4 230 B12R0.1 CCCC(C)OCCCCCCCl 34a_100000766143_100000766640 [0,0,1,0,0,0|2,0,1]=4 231 B12R0.1 CCCC(C)OCCCCCCCl 7a_100000766143_100000766640 [0,0,1,0,0,0|2,0,1]=4 232 B12R0.1 CCCC(C)OCCCCCCF 34a_100000732779_100000766640 [0,0,1,0,0,0|2,0,1]=4 233 B12R0.1 CCCC(C)OCCCCCCF 34a_100000764384_100015922095 [0,0,1,0,0,0|2,0,1]=4 234 B12R0.1 CCCC(C)OCCCCCCF 7a_100000732779_100000766640 [0,0,1,0,0,0|2,0,1]=4 235 B12R0.1 CCCC(C)OCCCCCCF 7a_100000764384_100015922095 [0,0,1,0,0,0|2,0,1]=4 236 B12R0.1 CCCC(C)OCCCCCCN 34a_100000686447_100000766640 [0,0,1,0,0,0|2,0,1]=4 237 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [0,0,1,0,0,0|2,0,1]=4 238 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [0,0,1,0,0,0|2,0,1]=4 239 B12R0.1 CCCC(C)OCCCCCNC 34a_100000722520_100000766640 [0,0,1,0,0,0|2,0,1]=4 240 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,0,1,0,0,0|1,0,2]=4 241 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,0,1,0,0,0|1,0,2]=4 242 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [0,0,1,0,0,0|2,0,1]=4 243 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,0,1,0,0,0|1,0,1]=3 244 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,0,1,0,0,0|2,0,1]=4 245 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,0,1,0,0,0|2,0,1]=4 246 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,0,1,0,0,0|2,0,1]=4 247 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,0,1,0,0,0|2,0,1]=4 248 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,0,1,0,0,0|2,0,1]=4 249 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,0,1,0,0,0|2,0,1]=4 250 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,0,1,0,0,0|1,0,0]=2 251 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,0,1,0,0,0|1,0,0]=2 252 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,0,1,0,0,0|2,0,0]=3 253 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,0,1,0,0,0|2,0,0]=3 254 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,0,1,0,0,0|2,0,0]=3 255 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,0,1,0,0,0|2,0,0]=3 256 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,0,1,0,0,0|2,0,0]=3 257 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,0,1,0,0,0|2,0,0]=3 258 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,0,1,0,0,0|2,0,0]=3 259 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,0,1,0,0,0|2,0,0]=3 260 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,0,1,0,0,0|3,0,0]=4 261 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,0,1,0,0,0|3,0,0]=4 262 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,0,1,0,0,0|3,0,0]=4 263 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,0,1,0,0,0|3,0,0]=4 264 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,0,1,0,0,0|3,0,0]=4 265 B12R0.1 CCCCCCCNC(=O)CC#N 1626a_100000229938_100051588842 [0,0,1,0,0,0|2,0,1]=4 266 B12R0.1 CCCCCCCNC(=O)CC#N 240690a_100000229938_100051588842 [0,0,1,0,0,0|2,0,1]=4 267 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,0,1,0,0,0|1,0,0]=2 268 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,0,1,0,0,0|1,0,0]=2 269 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,0,1,0,0,0|1,0,0]=2 270 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,0,1,0,0,0|1,0,0]=2 271 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,0,1,0,0,0|2,0,0]=3 272 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,0,1,0,0,0|2,0,0]=3 273 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,0,1,0,0,0|2,0,0]=3 274 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,0,1,0,0,0|2,0,0]=3 275 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,0,1,0,0,0|2,0,0]=3 276 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,0,1,0,0,0|2,0,0]=3 277 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,0,1,0,0,0|2,0,0]=3 278 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,0,1,0,0,0|2,0,0]=3 279 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,0,1,0,0,0|2,0,0]=3 280 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,0,1,0,0,0|2,0,0]=3 281 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,0,1,0,0,0|2,0,0]=3 282 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,0,1,0,0,0|2,0,0]=3 283 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,0,1,0,0,0|2,0,0]=3 284 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,0,1,0,0,0|2,0,0]=3 285 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,0,1,0,0,0|2,0,0]=3 286 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,0,1,0,0,0|3,0,0]=4 287 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,0,1,0,0,0|3,0,0]=4 288 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,0,1,0,0,0|3,0,0]=4 289 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [0,0,1,0,0,0|2,0,1]=4 290 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [0,0,1,0,0,0|2,0,1]=4 291 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [0,0,1,0,0,0|2,0,1]=4 292 B12R0.1 CCCCCCCOC(C)CCBr 34a_100012276601_100000210614 [0,0,1,0,0,0|2,0,1]=4 293 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,0,1,0,0,0|1,0,1]=3 294 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,0,1,0,0,0|1,0,1]=3 295 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,0,1,0,0,0|1,0,1]=3 296 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,0,1,0,0,0|1,0,1]=3 297 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [0,0,1,0,0,0|2,0,1]=4 298 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [0,0,1,0,0,0|2,0,1]=4 299 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,0,1,0,0,0|2,0,1]=4 300 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,0,1,0,0,0|2,0,1]=4 301 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,0,1,0,0,0|2,0,1]=4 302 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [0,0,1,0,0,0|1,1,1]=4 303 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [0,0,1,0,0,0|1,1,1]=4 304 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,0,1,0,0,0|2,0,0]=3 305 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,0,1,0,0,0|3,0,0]=4 306 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,0,1,0,0,0|3,0,0]=4 307 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,0,1,0,0,0|3,0,0]=4 308 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,0,1,0,0,0|2,0,0]=3 309 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,0,1,0,0,0|3,0,0]=4 310 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,0,1,0,0,0|3,0,0]=4 311 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,0,1,0,0,0|3,0,0]=4 312 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,0,1,0,0,0|3,0,0]=4 313 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,0,1,0,0,0|2,0,0]=3 314 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,0,1,0,0,0|2,0,0]=3 315 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,0,1,0,0,0|3,0,0]=4 316 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,0,1,0,0,0|3,0,0]=4 317 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,0,1,0,0,0|3,0,0]=4 318 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,0,1,0,0,0|3,0,0]=4 319 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,0,1,0,0,0|3,0,0]=4 320 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,0,1,0,0,0|3,0,0]=4 321 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,0,1,0,0,0|3,0,0]=4 322 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,0,1,0,0,0|1,0,0]=2 323 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,0,1,0,0,0|3,0,0]=4 324 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,0,1,0,0,0|3,0,0]=4 325 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,0,1,0,0,0|3,0,0]=4 326 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,0,1,0,0,0|1,0,0]=2 327 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,0,1,0,0,0|3,0,0]=4 328 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,0,1,0,0,0|3,0,0]=4 329 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,0,1,0,0,0|3,0,0]=4 330 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,0,1,0,0,0|3,0,0]=4 331 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,0,1,0,0,0|1,0,0]=2 332 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,0,1,0,0,0|2,0,0]=3 333 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,0,1,0,0,0|3,0,0]=4 334 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,0,1,0,0,0|3,0,0]=4 335 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,0,1,0,0,0|3,0,0]=4 336 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,0,1,0,0,0|3,0,0]=4 337 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,0,1,0,0,0|3,0,0]=4 338 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,0,1,0,0,0|3,0,0]=4 339 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,0,1,0,0,0|3,0,0]=4 340 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,0,1,0,0,0|3,0,0]=4 341 B12R0.1 CCCCOCCOC(C)CCC 34a_100000210238_100000766640 [0,0,1,0,0,0|2,0,1]=4 342 B12R0.1 CCCCOCCOC(C)CCC 34a_100000764384_100000743108 [0,0,1,0,0,0|2,0,1]=4 343 B12R0.1 CCCCOCCOC(C)CCC 7a_100000210238_100000766640 [0,0,1,0,0,0|2,0,1]=4 344 B12R0.1 CCCCOCCOC(C)CCC 7a_100000764384_100000743108 [0,0,1,0,0,0|2,0,1]=4 345 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,0,1,0,0,0|3,0,0]=4 346 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,0,1,0,0,0|3,0,0]=4 347 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,0,1,0,0,0|3,0,0]=4 348 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,0,1,0,0,0|3,0,0]=4 349 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,0,1,0,0,0|2,0,0]=3 350 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,0,1,0,0,0|2,0,0]=3 351 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,0,1,0,0,0|2,0,0]=3 352 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,0,1,0,0,0|2,0,0]=3 353 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,0,1,0,0,0|3,0,0]=4 354 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,0,1,0,0,0|3,0,0]=4 355 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,0,1,0,0,0|3,0,0]=4 356 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,0,1,0,0,0|3,0,0]=4 357 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,0,1,0,0,0|3,0,0]=4 358 B12R0.1 CCCCSCCNC(=O)CSC 11a_100025743550_100000184570 [0,0,1,0,0,0|3,0,0]=4 359 B12R0.1 CCCCSCCNC(=O)CSC 1626a_100025743550_100000184570 [0,0,1,0,0,0|3,0,0]=4 360 B12R0.1 CCCCSCCNC(=O)CSC 240690a_100025743550_100000184570 [0,0,1,0,0,0|3,0,0]=4 361 B12R0.1 CCCCSCCNC(=O)CSC 527a_100025743550_100000184570 [0,0,1,0,0,0|3,0,0]=4 362 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,0,1,0,0,0|3,0,0]=4 363 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,0,1,0,0,0|3,0,0]=4 364 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,0,1,0,0,0|3,0,0]=4 365 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,0,1,0,0,0|3,0,0]=4 366 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,0,1,0,0,0|3,0,0]=4 367 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,0,1,0,0,0|3,0,0]=4 368 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,0,1,0,0,0|3,0,0]=4 369 B12R0.1 CCCCSCCOC(C)CCC 34a_200000230436_100000766640 [0,0,1,0,0,0|2,0,1]=4 370 B12R0.1 CCCCSCCOC(C)CCC 7a_200000230436_100000766640 [0,0,1,0,0,0|2,0,1]=4 371 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,0,1,0,0,0|3,0,0]=4 372 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,0,1,0,0,0|2,0,0]=3 373 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,0,1,0,0,0|2,0,0]=3 374 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,0,1,0,0,0|2,0,0]=3 375 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,0,1,0,0,0|3,0,0]=4 376 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,0,1,0,0,0|3,0,0]=4 377 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,0,1,0,0,0|3,0,0]=4 378 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,0,1,0,0,0|3,0,0]=4 379 B12R0.1 CCCOCCCNC(=O)CSC 1626a_100011217757_100000184570 [0,0,1,0,0,0|3,0,0]=4 380 B12R0.1 CCCOCCCNC(=O)CSC 240690a_100011217757_100000184570 [0,0,1,0,0,0|3,0,0]=4 381 B12R0.1 CCCOCCCNC(=O)CSC 527a_100011217757_100000184570 [0,0,1,0,0,0|3,0,0]=4 382 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,0,1,0,0,0|3,0,0]=4 383 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,0,1,0,0,0|3,0,0]=4 384 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,0,1,0,0,0|3,0,0]=4 385 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,0,1,0,0,0|3,0,0]=4 386 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,0,1,0,0,0|3,0,0]=4 387 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,0,1,0,0,0|3,0,0]=4 388 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,0,1,0,0,0|3,0,0]=4 389 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,0,1,0,0,0|3,0,0]=4 390 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,0,1,0,0,0|3,0,0]=4 391 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,0,1,0,0,0|3,0,0]=4 392 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,0,1,0,0,0|3,0,0]=4 393 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,0,1,0,0,0|3,0,0]=4 394 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,0,1,0,0,0|3,0,0]=4 395 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,0,1,0,0,0|3,0,0]=4 396 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,0,1,0,0,0|3,0,0]=4 397 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,0,1,0,0,0|3,0,0]=4 398 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,0,1,0,0,0|3,0,0]=4 399 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,0,1,0,0,0|3,0,0]=4 400 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,0,1,0,0,0|3,0,0]=4 401 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,0,1,0,0,0|3,0,0]=4 402 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,0,1,0,0,0|3,0,0]=4 403 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,0,1,0,0,0|3,0,0]=4 404 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,0,1,0,0,0|3,0,0]=4 405 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,0,1,0,0,0|3,0,0]=4 406 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,0,1,0,0,0|3,0,0]=4 407 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,0,1,0,0,0|3,0,0]=4 408 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,0,1,0,0,0|3,0,0]=4 409 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,0,1,0,0,0|3,0,0]=4 410 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,0,1,0,0,0|3,0,0]=4 411 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,0,1,0,0,0|3,0,0]=4 412 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,0,1,0,0,0|3,0,0]=4 413 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,0,1,0,0,0|3,0,0]=4 414 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,0,1,0,0,0|3,0,0]=4 415 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,0,1,0,0,0|3,0,0]=4 416 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,0,1,0,0,0|3,0,0]=4 417 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,0,1,0,0,0|3,0,0]=4 418 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,0,1,0,0,0|3,0,0]=4 419 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,0,1,0,0,0|3,0,0]=4 420 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,0,1,0,0,0|3,0,0]=4 421 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,0,1,0,0,0|3,0,0]=4 422 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,0,1,0,0,0|3,0,0]=4 423 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,0,1,0,0,0|3,0,0]=4 424 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,0,1,0,0,0|3,0,0]=4 425 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,0,1,0,0,0|3,0,0]=4 426 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,0,1,0,0,0|3,0,0]=4 427 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,0,1,0,0,0|3,0,0]=4 428 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,0,1,0,0,0|3,0,0]=4 429 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,0,1,0,0,0|3,0,0]=4 430 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,0,1,0,0,0|3,0,0]=4 431 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,0,1,0,0,0|3,0,0]=4 432 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,0,1,0,0,0|3,0,0]=4 433 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,0,1,0,0,0|3,0,0]=4 434 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,0,1,0,0,0|3,0,0]=4 435 B12R0.1 COCCCCCNC(=O)CSC 11a_100000747528_100000184570 [0,0,1,0,0,0|3,0,0]=4 436 B12R0.1 COCCCCCNC(=O)CSC 1626a_100000747528_100000184570 [0,0,1,0,0,0|3,0,0]=4 437 B12R0.1 COCCCCCNC(=O)CSC 240690a_100000747528_100000184570 [0,0,1,0,0,0|3,0,0]=4 438 B12R0.1 COCCCCCNC(=O)CSC 527a_100000747528_100000184570 [0,0,1,0,0,0|3,0,0]=4 439 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,0,1,0,0,0|3,0,0]=4 440 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,0,1,0,0,0|3,0,0]=4 441 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,0,1,0,0,0|3,0,0]=4 442 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,0,1,0,0,0|3,0,0]=4 443 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,0,1,0,0,0|3,0,0]=4 444 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,0,1,0,0,0|3,0,0]=4 445 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,0,1,0,0,0|3,0,0]=4 446 B12R0.4 C#CCCCCCN(C)CC(=O)O 269956a_100000746989_100012094781 [0,0,1,0,0,0|1,0,2]=4 447 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000225649_100000210681 [0,0,1,0,0,0|3,0,0]=4 448 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000228206_100000748629 [0,0,1,0,0,0|3,0,0]=4 449 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000225649_100000210681 [0,0,1,0,0,0|3,0,0]=4 450 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000228206_100000748629 [0,0,1,0,0,0|3,0,0]=4 451 B12R0.4 C=C(F)CN(C)CCCCCCC 2230a_100000228206_100009893438 [0,0,1,0,0,0|3,0,0]=4 452 B12R0.4 C=C(F)CN(C)CCCCCCC 269982a_100000228206_100009893438 [0,0,1,0,0,0|3,0,0]=4 453 B12R0.4 C=CCCCCCN(C)CC(=O)O 269956a_100000746989_100000700193 [0,0,1,0,0,0|1,0,2]=4 454 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,0,1,0,0,0|2,0,1]=4 455 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,0,1,0,0,0|2,0,1]=4 456 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,0,1,0,0,0|1,0,2]=4 457 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,0,1,0,0,0|2,0,0]=3 458 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,0,1,0,0,0|2,0,0]=3 459 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000228206_100000747473 [0,0,1,0,0,0|2,0,0]=3 460 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210681 [0,0,1,0,0,0|2,0,0]=3 461 B12R0.4 CCCCCCCN(C)CC(=O)N 269982a_100000228206_100000187820 [0,0,1,0,0,0|2,0,0]=3 462 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,0,1,0,0,0|1,0,0]=2 463 B12R0.4 CCCCCCCN(C)CC(=O)[O-] 269982a_100000228206_100020667443 [0,0,1,0,0,0|1,0,1]=3 464 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000227577_100000210681 [0,0,1,0,0,0|2,0,1]=4 465 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000228206_100011218427 [0,0,1,0,0,0|2,0,1]=4 466 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000227577_100000210681 [0,0,1,0,0,0|2,0,1]=4 467 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000228206_100011218427 [0,0,1,0,0,0|2,0,1]=4 468 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 2230a_100000228206_100009817552 [0,0,1,0,0,0|2,0,1]=4 469 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 269982a_100000228206_100009817552 [0,0,1,0,0,0|2,0,1]=4 470 B12R0.4 CCCCCCCN(C)C[N+](=O)[O-] 269982a_100000228206_100000761209 [0,0,1,0,0,0|2,0,1]=4 471 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100000210314_100009818208 [0,0,1,0,0,0|3,0,0]=4 472 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100009818208_100000210757 [0,0,1,0,0,0|3,0,0]=4 473 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,0,1,0,0,0|2,0,0]=3 474 B12R0.4 CCCCOCCN(C)CC(=O)N 2230a_100000739694_100000743108 [0,0,1,0,0,0|3,0,0]=4 475 B12R0.4 CCCCOCCN(C)CC(=O)O 269956a_100000746989_100000743108 [0,0,1,0,0,0|2,0,0]=3 476 B12R0.4 CCOCCNCC(O)CC(=O)O 269956a_100011218706_100000210147 [0,0,1,0,0,0|3,0,0]=4 477 B12R0.4 CCSCCNCC(O)CC(=O)O 269956a_100011218706_100000757381 [0,0,1,0,0,0|3,0,0]=4 478 B12R0.4 CN(CCCCCC#N)CC(=O)O 269956a_100000746989_100009813376 [0,0,1,0,0,0|2,0,1]=4 479 B12R0.4 CN(CCCCCC=O)CC(=O)O 269956a_100000746989_100000139337 [0,0,1,0,0,0|2,0,1]=4 480 B12R0.4 CN(CCCCCCF)CC(=O)N 2230a_100000739694_100015922095 [0,0,1,0,0,0|3,0,0]=4 481 B12R0.4 CN(CCCCCCF)CC(=O)O 269956a_100000746989_100015922095 [0,0,1,0,0,0|2,0,0]=3 482 B12R0.4 CN(CCCCCCO)CC(=O)N 2230a_100000739694_100000766143 [0,0,1,0,0,0|3,0,0]=4 483 B12R0.4 CN(CCCCCCO)CC(=O)O 269956a_100000746989_100000766143 [0,0,1,0,0,0|2,0,0]=3 484 B12R0.4 COCCCNCC(O)CC(=O)O 269956a_100011218706_100000740836 [0,0,1,0,0,0|3,0,0]=4 485 B12R0.4 COCCOCCN(C)CC(=O)O 269956a_100000746989_100000695917 [0,0,1,0,0,0|3,0,0]=4 486 B12R0.4 O=C(O)CC(O)CNCCCCF 269956a_100011218706_100000729493 [0,0,1,0,0,0|3,0,0]=4 487 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [0,0,1,0,0,0|3,0,0]=4 488 B12R0.114 C=CCC(=O)C(O)CCCCCC 1458a_100011215828_100000210623 [0,0,1,0,0,0|2,0,1]=4 489 B12R0.114 C=CCC(C)C(=O)CCCCCC 1458a_100011216819_100000210757 [0,0,1,0,0,0|1,0,2]=4 490 B12R0.114 C=CCN(C)C(C)CCCCCC 2230a_100000225617_100011215978 [0,0,1,0,0,0|3,0,0]=4 491 B12R0.114 C=CCN(C)C(C)CCCCCC 269982a_100000225617_100011215978 [0,0,1,0,0,0|3,0,0]=4 492 B12R0.114 C=CCN(C)C(C)CCCCCC 270004a_100000225617_100000210826 [0,0,1,0,0,0|3,0,0]=4 493 B12R0.202 C=C(C)CN(CC)CCCCCC 2230a_100000211296_100000210314 [0,0,1,0,0,0|3,0,0]=4 494 B12R0.202 C=C(C)CN(CC)CCCCCC 269982a_100000211296_100000210757 [0,0,1,0,0,0|3,0,0]=4 495 B12R0.202 CCCCCCC(CC)OC(C)C 34a_100011215785_100000210206 [0,0,1,0,0,0|1,0,1]=3 496 B12R0.202 CCCCCCC(CC)OC(C)C 7a_100011215785_100000210206 [0,0,1,0,0,0|1,0,1]=3 497 B12R0.202 CCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210757 [0,0,1,0,0,0|3,0,0]=4 498 B12R0.202 CCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210326 [0,0,1,0,0,0|3,0,0]=4 499 B12R0.203 C=CCC(OCCCCC)C(C)C 34a_200011216146_100000718602 [0,0,1,0,0,0|3,0,0]=4 500 B12R0.203 C=CCC(OCCCCC)C(C)C 7a_200011216146_100000210326 [0,0,1,0,0,0|3,0,0]=4 501 B12R0.203 C=CCN(CCCCCC)C(C)C 2230a_100000742772_100000210314 [0,0,1,0,0,0|3,0,0]=4 502 B12R0.203 C=CCN(CCCCCC)C(C)C 269982a_100000742772_100000210757 [0,0,1,0,0,0|3,0,0]=4 503 B12R0.203 CC(C)N(CC=O)CCCCCO 2230a_100011629493_200015260668 [0,0,1,0,0,0|3,0,0]=4 504 B12R0.203 CC(C)N(CC=O)CCCCCO 269982a_100011629493_200015260668 [0,0,1,0,0,0|3,0,0]=4 505 B12R0.203 CC(C)N(CC=O)CCCCCO 34a_100011629493_200009817547 [0,0,1,0,0,0|3,0,0]=4 506 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [1,0,1,0,0,0|2,0,0]=4 507 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [1,0,1,0,0,0|2,0,0]=4 508 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,0,1,0,0,0|2,0,0]=4 509 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,0,1,0,0,0|2,0,0]=4 510 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,0,1,0,0,0|2,0,0]=4 511 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,0,1,0,0,0|2,0,0]=4 512 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,0,1,0,0,0|2,0,0]=4 513 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,0,1,0,0,0|2,0,0]=4 514 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,0,1,0,0,0|2,0,0]=4 515 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [1,0,1,0,0,0|1,0,1]=4 516 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [1,0,1,0,0,0|1,0,1]=4 517 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [1,0,1,0,0,0|1,0,1]=4 518 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [1,0,1,0,0,0|1,0,1]=4 519 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [1,0,1,0,0,0|0,0,1]=3 520 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [1,0,1,0,0,0|0,0,1]=3 521 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [1,0,1,0,0,0|0,0,1]=3 522 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [1,0,1,0,0,0|0,0,1]=3 523 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [1,0,1,0,0,0|1,0,1]=4 524 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [1,0,1,0,0,0|1,0,1]=4 525 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [1,0,1,0,0,0|1,0,1]=4 526 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [1,0,1,0,0,0|1,0,1]=4 527 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [1,0,1,0,0,0|1,0,1]=4 528 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [1,0,1,0,0,0|1,0,1]=4 529 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [1,0,1,0,0,0|1,0,1]=4 530 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [1,0,1,0,0,0|1,0,1]=4 531 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [1,0,1,0,0,0|1,0,1]=4 532 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [1,0,1,0,0,0|1,0,1]=4 533 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [1,0,1,0,0,0|1,0,1]=4 534 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [1,0,1,0,0,0|1,0,1]=4 535 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [1,0,1,0,0,0|1,0,1]=4 536 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [1,0,1,0,0,0|1,0,1]=4 537 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [1,0,1,0,0,0|0,1,1]=4 538 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [1,0,1,0,0,0|0,1,1]=4 539 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [1,0,1,0,0,0|1,0,1]=4 540 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [1,0,1,0,0,0|1,0,1]=4 541 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [1,0,1,0,0,0|1,0,1]=4 542 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [1,0,1,0,0,0|1,0,1]=4 543 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [1,0,1,0,0,0|1,0,1]=4 544 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [1,0,1,0,0,0|1,0,1]=4 545 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [1,0,1,0,0,0|1,0,1]=4 546 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [1,0,1,0,0,0|1,0,1]=4 547 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [1,0,1,0,0,0|1,0,1]=4 548 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [1,0,1,0,0,0|1,0,1]=4 549 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [1,0,1,0,0,0|1,0,1]=4 550 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [1,0,1,0,0,0|1,0,1]=4 551 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [1,0,1,0,0,0|1,0,1]=4 552 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [1,0,1,0,0,0|1,0,1]=4 553 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [1,0,1,0,0,0|1,0,1]=4 554 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [1,0,1,0,0,0|1,0,1]=4 555 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [1,0,1,0,0,0|1,0,1]=4 556 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [1,0,1,0,0,0|1,0,1]=4 557 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [1,0,1,0,0,0|1,0,1]=4 558 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [1,0,1,0,0,0|1,0,1]=4 559 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [1,0,1,0,0,0|1,0,1]=4 560 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [1,0,1,0,0,0|1,0,1]=4 561 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [1,0,1,0,0,0|1,0,1]=4 562 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [1,0,1,0,0,0|1,0,1]=4 563 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [1,0,1,0,0,0|1,0,1]=4 564 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [1,0,1,0,0,0|1,0,1]=4 565 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [1,0,1,0,0,0|1,0,1]=4 566 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [1,0,1,0,0,0|1,0,1]=4 567 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [1,0,1,0,0,0|1,0,1]=4 568 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [1,0,1,0,0,0|1,0,1]=4 569 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [1,0,1,0,0,0|1,0,1]=4 570 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [1,0,1,0,0,0|1,0,1]=4 571 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [1,0,1,0,0,0|0,0,2]=4 572 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [1,0,1,0,0,0|0,0,2]=4 573 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [1,0,1,0,0,0|0,0,2]=4 574 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [1,0,1,0,0,0|0,0,2]=4 575 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [1,0,1,0,0,0|0,0,2]=4 576 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [1,0,1,0,0,0|0,0,2]=4 577 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [1,0,1,0,0,0|2,0,0]=4 578 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [1,0,1,0,0,0|2,0,0]=4 579 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [1,0,1,0,0,0|0,0,2]=4 580 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [1,0,1,0,0,0|0,0,2]=4 581 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [1,0,1,0,0,0|2,0,0]=4 582 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [1,0,1,0,0,0|2,0,0]=4 583 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [1,0,1,0,0,0|2,0,0]=4 584 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [1,0,1,0,0,0|2,0,0]=4 585 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [1,0,1,0,0,0|2,0,0]=4 586 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [1,0,1,0,0,0|2,0,0]=4 587 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [1,0,1,0,0,0|0,0,2]=4 588 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,0,1,0,0,0|0,0,2]=4 589 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [1,0,1,0,0,0|1,0,1]=4 590 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [1,0,1,0,0,0|1,0,0]=3 591 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [1,0,1,0,0,0|1,0,0]=3 592 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [1,0,1,0,0,0|1,0,0]=3 593 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [1,0,1,0,0,0|1,0,0]=3 594 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [1,0,1,0,0,0|2,0,0]=4 595 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [1,0,1,0,0,0|2,0,0]=4 596 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [1,0,1,0,0,0|2,0,0]=4 597 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [1,0,1,0,0,0|2,0,0]=4 598 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [1,0,1,0,0,0|2,0,0]=4 599 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [1,0,1,0,0,0|2,0,0]=4 600 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [1,0,1,0,0,0|2,0,0]=4 601 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [1,0,1,0,0,0|2,0,0]=4 602 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [1,0,1,0,0,0|2,0,0]=4 603 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [1,0,1,0,0,0|2,0,0]=4 604 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [1,0,1,0,0,0|2,0,0]=4 605 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [1,0,1,0,0,0|2,0,0]=4 606 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [1,0,1,0,0,0|2,0,0]=4 607 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [1,0,1,0,0,0|2,0,0]=4 608 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [1,0,1,0,0,0|2,0,0]=4 609 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [1,0,1,0,0,0|2,0,0]=4 610 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [1,0,1,0,0,0|2,0,0]=4 611 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [1,0,1,0,0,0|2,0,0]=4 612 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [1,0,1,0,0,0|2,0,0]=4 613 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [1,0,1,0,0,0|2,0,0]=4 614 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [1,0,1,0,0,0|2,0,0]=4 615 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [1,0,1,0,0,0|2,0,0]=4 616 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [1,0,1,0,0,0|2,0,0]=4 617 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [1,0,1,0,0,0|2,0,0]=4 618 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [1,0,1,0,0,0|2,0,0]=4 619 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [1,0,1,0,0,0|2,0,0]=4 620 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [1,0,1,0,0,0|2,0,0]=4 621 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [1,0,1,0,0,0|2,0,0]=4 622 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [1,0,1,0,0,0|2,0,0]=4 623 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [1,0,1,0,0,0|2,0,0]=4 624 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [1,0,1,0,0,0|2,0,0]=4 625 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [1,0,1,0,0,0|2,0,0]=4 626 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [1,0,1,0,0,0|2,0,0]=4 627 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [1,0,1,0,0,0|2,0,0]=4 628 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [1,0,1,0,0,0|2,0,0]=4 629 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [1,0,1,0,0,0|2,0,0]=4 630 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [1,0,1,0,0,0|2,0,0]=4 631 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [1,0,1,0,0,0|2,0,0]=4 632 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [1,0,1,0,0,0|2,0,0]=4 633 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [1,0,1,0,0,0|2,0,0]=4 634 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [1,0,1,0,0,0|2,0,0]=4 635 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [1,0,1,0,0,0|0,0,2]=4 636 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [1,0,1,0,0,0|0,0,2]=4 637 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [1,0,1,0,0,0|0,0,2]=4 638 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [1,0,1,0,0,0|1,0,1]=4 639 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [1,0,1,0,0,0|1,0,1]=4 640 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [1,0,1,0,0,0|0,0,0]=2 641 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [1,0,1,0,0,0|0,0,0]=2 642 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [1,0,1,0,0,0|1,0,0]=3 643 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [1,0,1,0,0,0|1,0,0]=3 644 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [1,0,1,0,0,0|1,0,0]=3 645 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [1,0,1,0,0,0|1,0,0]=3 646 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [1,0,1,0,0,0|1,0,0]=3 647 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [1,0,1,0,0,0|1,0,0]=3 648 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [1,0,1,0,0,0|1,0,0]=3 649 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [1,0,1,0,0,0|1,0,0]=3 650 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [1,0,1,0,0,0|2,0,0]=4 651 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [1,0,1,0,0,0|1,0,0]=3 652 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [1,0,1,0,0,0|1,0,0]=3 653 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [1,0,1,0,0,0|2,0,0]=4 654 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [1,0,1,0,0,0|2,0,0]=4 655 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [1,0,1,0,0,0|2,0,0]=4 656 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [1,0,1,0,0,0|2,0,0]=4 657 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [1,0,1,0,0,0|1,0,1]=4 658 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [1,0,1,0,0,0|1,0,1]=4 659 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [1,0,1,0,0,0|1,0,1]=4 660 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [1,0,1,0,0,0|1,0,1]=4 661 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [1,0,1,0,0,0|1,0,0]=3 662 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [1,0,1,0,0,0|1,0,0]=3 663 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [1,0,1,0,0,0|1,0,0]=3 664 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [1,0,1,0,0,0|1,0,0]=3 665 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [1,0,1,0,0,0|2,0,0]=4 666 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [1,0,1,0,0,0|2,0,0]=4 667 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [1,0,1,0,0,0|2,0,0]=4 668 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [1,0,1,0,0,0|2,0,0]=4 669 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [1,0,1,0,0,0|2,0,0]=4 670 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [1,0,1,0,0,0|2,0,0]=4 671 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [1,0,1,0,0,0|2,0,0]=4 672 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [1,0,1,0,0,0|2,0,0]=4 673 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [1,0,1,0,0,0|2,0,0]=4 674 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [1,0,1,0,0,0|2,0,0]=4 675 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [1,0,1,0,0,0|2,0,0]=4 676 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [1,0,1,0,0,0|2,0,0]=4 677 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [1,0,1,0,0,0|2,0,0]=4 678 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [1,0,1,0,0,0|2,0,0]=4 679 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [1,0,1,0,0,0|2,0,0]=4 680 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [1,0,1,0,0,0|2,0,0]=4 681 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [1,0,1,0,0,0|2,0,0]=4 682 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [1,0,1,0,0,0|2,0,0]=4 683 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [1,0,1,0,0,0|2,0,0]=4 684 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [1,0,1,0,0,0|2,0,0]=4 685 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [1,0,1,0,0,0|2,0,0]=4 686 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [1,0,1,0,0,0|1,0,1]=4 687 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [1,0,1,0,0,0|1,0,1]=4 688 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [1,0,1,0,0,0|1,0,1]=4 689 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [1,0,1,0,0,0|1,0,1]=4 690 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [1,0,1,0,0,0|1,0,1]=4 691 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [1,0,1,0,0,0|1,0,1]=4 692 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [1,0,1,0,0,0|1,0,1]=4 693 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [1,0,1,0,0,0|1,0,1]=4 694 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [1,0,1,0,0,0|1,0,1]=4 695 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [1,0,1,0,0,0|1,0,1]=4 696 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [1,0,1,0,0,0|1,0,1]=4 697 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [1,0,1,0,0,0|1,0,0]=3 698 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [1,0,1,0,0,0|2,0,0]=4 699 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [1,0,1,0,0,0|2,0,0]=4 700 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [1,0,1,0,0,0|2,0,0]=4 701 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [1,0,1,0,0,0|2,0,0]=4 702 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [1,0,1,0,0,0|1,0,0]=3 703 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [1,0,1,0,0,0|2,0,0]=4 704 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [1,0,1,0,0,0|2,0,0]=4 705 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [1,0,1,0,0,0|2,0,0]=4 706 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [1,0,1,0,0,0|2,0,0]=4 707 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [1,0,1,0,0,0|1,0,0]=3 708 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [1,0,1,0,0,0|1,0,0]=3 709 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [1,0,1,0,0,0|2,0,0]=4 710 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [1,0,1,0,0,0|2,0,0]=4 711 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [1,0,1,0,0,0|2,0,0]=4 712 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [1,0,1,0,0,0|2,0,0]=4 713 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [1,0,1,0,0,0|2,0,0]=4 714 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [1,0,1,0,0,0|2,0,0]=4 715 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [1,0,1,0,0,0|2,0,0]=4 716 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [1,0,1,0,0,0|2,0,0]=4 717 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [1,0,1,0,0,0|2,0,0]=4 718 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [1,0,1,0,0,0|1,0,0]=3 719 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [1,0,1,0,0,0|1,0,0]=3 720 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [1,0,1,0,0,0|2,0,0]=4 721 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [1,0,1,0,0,0|2,0,0]=4 722 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [1,0,1,0,0,0|2,0,0]=4 723 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [1,0,1,0,0,0|2,0,0]=4 724 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [1,0,1,0,0,0|2,0,0]=4 725 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [1,0,1,0,0,0|2,0,0]=4 726 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [1,0,1,0,0,0|1,0,0]=3 727 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [1,0,1,0,0,0|2,0,0]=4 728 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [1,0,1,0,0,0|2,0,0]=4 729 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [1,0,1,0,0,0|2,0,0]=4 730 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [1,0,1,0,0,0|2,0,0]=4 731 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [1,0,1,0,0,0|1,0,0]=3 732 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [1,0,1,0,0,0|2,0,0]=4 733 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [1,0,1,0,0,0|2,0,0]=4 734 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [1,0,1,0,0,0|2,0,0]=4 735 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [1,0,1,0,0,0|2,0,0]=4 736 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [1,0,1,0,0,0|2,0,0]=4 737 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [1,0,1,0,0,0|2,0,0]=4 738 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [1,0,1,0,0,0|2,0,0]=4 739 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [1,0,1,0,0,0|2,0,0]=4 740 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [1,0,1,0,0,0|2,0,0]=4 741 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [1,0,1,0,0,0|2,0,0]=4 742 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [1,0,1,0,0,0|2,0,0]=4 743 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [1,0,1,0,0,0|2,0,0]=4 744 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [1,0,1,0,0,0|2,0,0]=4 745 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [1,0,1,0,0,0|2,0,0]=4 746 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [1,0,1,0,0,0|2,0,0]=4 747 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [1,0,1,0,0,0|2,0,0]=4 748 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [1,0,1,0,0,0|2,0,0]=4 749 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [1,0,1,0,0,0|2,0,0]=4 750 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [1,0,1,0,0,0|2,0,0]=4 751 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [1,0,1,0,0,0|2,0,0]=4 752 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [1,0,1,0,0,0|2,0,0]=4 753 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [1,0,1,0,0,0|2,0,0]=4 754 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [1,0,1,0,0,0|2,0,0]=4 755 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [1,0,1,0,0,0|2,0,0]=4 756 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [1,0,1,0,0,0|2,0,0]=4 757 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [1,0,1,0,0,0|2,0,0]=4 758 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [1,0,1,0,0,0|2,0,0]=4 759 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [1,0,1,0,0,0|2,0,0]=4 760 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [1,0,1,0,0,0|2,0,0]=4 761 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [1,0,1,0,0,0|2,0,0]=4 762 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [1,0,1,0,0,0|2,0,0]=4 763 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [1,0,1,0,0,0|2,0,0]=4 764 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [1,0,1,0,0,0|2,0,0]=4 765 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [1,0,1,0,0,0|2,0,0]=4 766 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [1,0,1,0,0,0|2,0,0]=4 767 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [1,0,1,0,0,0|2,0,0]=4 768 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [1,0,1,0,0,0|2,0,0]=4 769 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [1,0,1,0,0,0|2,0,0]=4 770 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [1,0,1,0,0,0|2,0,0]=4 771 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,0,1,0,0,0|2,0,0]=4 772 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,0,1,0,0,0|2,0,0]=4 773 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [1,0,1,0,0,0|2,0,0]=4 774 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [1,0,1,0,0,0|2,0,0]=4 775 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [1,0,1,0,0,0|2,0,0]=4 776 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [1,0,1,0,0,0|2,0,0]=4 777 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [1,0,1,0,0,0|2,0,0]=4 778 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [1,0,1,0,0,0|2,0,0]=4 779 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [1,0,1,0,0,0|2,0,0]=4 780 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [1,0,1,0,0,0|2,0,0]=4 781 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [1,0,1,0,0,0|2,0,0]=4 782 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [1,0,1,0,0,0|2,0,0]=4 783 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [1,0,1,0,0,0|2,0,0]=4 784 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [1,0,1,0,0,0|1,0,1]=4 785 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,0,1,0,0,0|1,0,0]=3 786 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,0,1,0,0,0|1,0,0]=3 787 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,0,1,0,0,0|2,0,0]=4 788 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,0,1,0,0,0|2,0,0]=4 789 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,0,1,0,0,0|2,0,0]=4 790 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,0,1,0,0,0|2,0,0]=4 791 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,0,1,0,0,0|2,0,0]=4 792 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,0,1,0,0,0|2,0,0]=4 793 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [1,0,1,0,0,0|1,0,0]=3 794 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [1,0,1,0,0,0|1,0,0]=3 795 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [1,0,1,0,0,0|1,0,0]=3 796 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [1,0,1,0,0,0|1,0,0]=3 797 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,0,1,0,0,0|2,0,0]=4 798 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,0,1,0,0,0|2,0,0]=4 799 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [1,0,1,0,0,0|2,0,0]=4 800 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [1,0,1,0,0,0|2,0,0]=4 801 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [1,0,1,0,0,0|2,0,0]=4 802 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [1,0,1,0,0,0|2,0,0]=4 803 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [1,0,1,0,0,0|2,0,0]=4 804 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [1,0,1,0,0,0|2,0,0]=4 805 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [1,0,1,0,0,0|1,0,1]=4 806 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [1,0,1,0,0,0|1,0,1]=4 807 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [1,0,1,0,0,0|1,0,1]=4 808 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [1,0,1,0,0,0|2,0,0]=4 809 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [1,0,1,0,0,0|2,0,0]=4 810 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [1,0,1,0,0,0|2,0,0]=4 811 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [1,0,1,0,0,0|2,0,0]=4 812 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [1,0,1,0,0,0|2,0,0]=4 813 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [1,0,1,0,0,0|2,0,0]=4 814 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [1,0,1,0,0,0|2,0,0]=4 815 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [1,0,1,0,0,0|2,0,0]=4 816 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [1,0,1,0,0,0|2,0,0]=4 817 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [1,0,1,0,0,0|1,0,0]=3 818 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [1,0,1,0,0,0|2,0,0]=4 819 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [1,0,1,0,0,0|2,0,0]=4 820 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [1,0,1,0,0,0|2,0,0]=4 821 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [1,0,1,0,0,0|2,0,0]=4 822 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [1,0,1,0,0,0|2,0,0]=4 823 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [1,0,1,0,0,0|2,0,0]=4 824 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [1,0,1,0,0,0|2,0,0]=4 825 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [1,0,1,0,0,0|2,0,0]=4 826 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [1,0,1,0,0,0|2,0,0]=4 827 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [1,0,1,0,0,0|2,0,0]=4 828 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [1,0,1,0,0,0|2,0,0]=4 829 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [1,0,1,0,0,0|2,0,0]=4 830 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100000729493_100009818208 [1,0,1,0,0,0|2,0,0]=4 831 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100009818208_100000729493 [1,0,1,0,0,0|2,0,0]=4 832 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100000210776_100009818208 [1,0,1,0,0,0|2,0,0]=4 833 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100009818208_100000210776 [1,0,1,0,0,0|2,0,0]=4 834 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [1,0,1,0,0,0|1,0,0]=3 835 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [1,0,1,0,0,0|1,0,0]=3 836 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [1,0,1,0,0,0|1,0,0]=3 837 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [1,0,1,0,0,0|1,0,0]=3 838 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [1,0,1,0,0,0|1,0,1]=4 839 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [1,0,1,0,0,0|1,0,1]=4 840 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [1,0,1,0,0,0|1,0,1]=4 841 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [1,0,1,0,0,0|2,0,0]=4 842 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [1,0,1,0,0,0|2,0,0]=4 843 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [1,0,1,0,0,0|2,0,0]=4 844 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [1,0,1,0,0,0|1,0,0]=3 845 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [1,0,1,0,0,0|1,0,1]=4 846 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [1,0,1,0,0,0|1,0,0]=3 847 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [1,0,1,0,0,0|1,0,0]=3 848 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [1,0,1,0,0,0|2,0,0]=4 849 B11R0.2 CCCCOCN(C)CC(=O)O 269956a_100000746989_100011995733 [1,0,1,0,0,0|2,0,0]=4 850 B11R0.2 CCCOCCN(C)CC(=O)O 269956a_100000746989_100011215938 [1,0,1,0,0,0|2,0,0]=4 851 B11R0.2 CCOCCCN(C)CC(=O)O 269956a_100000746989_100012232248 [1,0,1,0,0,0|2,0,0]=4 852 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100000210147_100009818208 [1,0,1,0,0,0|2,0,0]=4 853 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100009818208_100011215890 [1,0,1,0,0,0|2,0,0]=4 854 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100000757381_100009818208 [1,0,1,0,0,0|2,0,0]=4 855 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100009818208_100000757381 [1,0,1,0,0,0|2,0,0]=4 856 B11R0.2 CN(CCCCCF)CC(=O)O 269956a_100000746989_100000729378 [1,0,1,0,0,0|2,0,0]=4 857 B11R0.2 CN(CCCCCO)CC(=O)O 269956a_100000746989_100000746330 [1,0,1,0,0,0|2,0,0]=4 858 B11R0.2 COCCCCN(C)CC(=O)O 269956a_100000746989_100000730899 [1,0,1,0,0,0|2,0,0]=4 859 B11R0.2 COCCCSC(C)OC(=O)C 62a_100000709357_100009818208 [1,0,1,0,0,0|2,0,0]=4 860 B11R0.2 COCCCSC(C)OC(=O)C 62a_100009818208_100000709357 [1,0,1,0,0,0|2,0,0]=4 861 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,0,1,0,0,0|2,0,0]=4 862 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,0,1,0,0,0|1,0,0]=3 863 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,0,1,0,0,0|1,0,0]=3 864 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,0,1,0,0,0|1,0,0]=3 865 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,0,1,0,0,0|2,0,0]=4 866 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,0,1,0,0,0|2,0,0]=4 867 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,0,1,0,0,0|2,0,0]=4 868 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,0,1,0,0,0|2,0,0]=4 869 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [1,0,1,0,0,0|2,0,0]=4 870 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [1,0,1,0,0,0|2,0,0]=4 871 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,0,1,0,0,0|1,0,0]=3 872 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,0,1,0,0,0|2,0,0]=4 873 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,0,1,0,0,0|2,0,0]=4 874 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,0,1,0,0,0|2,0,0]=4 875 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,0,1,0,0,0|1,0,1]=4 876 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [1,0,1,0,0,0|2,0,0]=4 877 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [1,0,1,0,0,0|2,0,0]=4 878 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [1,0,1,0,0,0|1,0,1]=4 879 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [1,0,1,0,0,0|1,0,1]=4 880 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [1,0,1,0,0,0|2,0,0]=4 881 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [1,0,1,0,0,0|2,0,0]=4 882 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,0,1,0,0,0|2,0,0]=4 883 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,0,1,0,0,0|2,0,0]=4 884 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,0,1,0,0,0|2,0,0]=4 885 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [1,0,1,0,0,0|2,0,0]=4 886 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [1,0,1,0,0,0|2,0,0]=4 887 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [1,0,1,0,0,0|2,0,0]=4 888 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [1,0,1,0,0,0|2,0,0]=4 889 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,0,1,0,0,0|2,0,0]=4 890 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,0,1,0,0,0|2,0,0]=4 891 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [1,0,1,0,0,0|2,0,0]=4 892 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [1,0,1,0,0,0|2,0,0]=4 893 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [1,0,1,0,0,0|2,0,0]=4 894 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,0,1,0,0,0|2,0,0]=4 895 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,0,1,0,0,0|2,0,0]=4 896 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,0,1,0,0,0|2,0,0]=4 897 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,0,1,0,0,0|2,0,0]=4 898 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,0,1,0,0,0|2,0,0]=4 899 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,0,1,0,0,0|2,0,0]=4 900 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,0,1,0,0,0|2,0,0]=4 901 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,0,1,0,0,0|2,0,0]=4 902 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [1,0,1,0,0,0|2,0,0]=4 903 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [1,0,1,0,0,0|2,0,0]=4 904 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,0,1,0,0,0|2,0,0]=4 905 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [1,0,1,0,0,0|2,0,0]=4 906 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [1,0,1,0,0,0|2,0,0]=4 907 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,0,1,0,0,0|2,0,0]=4 908 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,0,1,0,0,0|2,0,0]=4 909 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,0,1,0,0,0|2,0,0]=4 910 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,0,1,0,0,0|2,0,0]=4 911 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [1,0,1,0,0,0|2,0,0]=4 912 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,0,1,0,0,0|2,0,0]=4 913 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,0,1,0,0,0|2,0,0]=4 914 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [1,0,1,0,0,0|2,0,0]=4 915 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [1,0,1,0,0,0|2,0,0]=4 916 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [1,0,1,0,0,0|2,0,0]=4 917 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [1,0,1,0,0,0|1,0,1]=4 918 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [1,0,1,0,0,0|2,0,0]=4 919 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [1,0,1,0,0,0|2,0,0]=4 920 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,0,1,0,0,0|2,0,0]=4 921 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,0,1,0,0,0|2,0,0]=4 922 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [1,0,1,0,0,0|2,0,0]=4 923 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [1,0,1,0,0,0|2,0,0]=4 924 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [1,0,1,0,0,0|2,0,0]=4 925 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [1,0,1,0,0,0|2,0,0]=4 926 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [1,0,1,0,0,0|2,0,0]=4 927 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [1,0,1,0,0,0|2,0,0]=4 928 B11R0.77 CCCCCC(CC)OC(C)C 34a_100011215405_100000210206 [1,0,1,0,0,0|1,0,1]=4 929 B11R0.77 CCCCCC(CC)OC(C)C 7a_100011215405_100000210206 [1,0,1,0,0,0|1,0,1]=4 930 B11R0.161 CCCCCCC(CC)NCC 270004a_100015525214_100011219640 [1,0,1,0,0,0|1,0,1]=4 931 B11R0.161 CCCCCCC(CC)OCC 34a_100011215785_100000210202 [1,0,1,0,0,0|0,0,1]=3 932 B11R0.161 CCCCCCC(CC)OCC 7a_100011215785_100000210202 [1,0,1,0,0,0|0,0,1]=3 933 B11R0.161 CCCCCCC(CC)OCF 34a_100011215785_100015361967 [1,0,1,0,0,0|1,0,1]=4 934 B11R0.161 CCCCCCC(CC)OCF 7a_100011215785_100015361967 [1,0,1,0,0,0|1,0,1]=4 935 B11R0.161 CCCCNCC(CC)OCC 2230a_100015183923_100000210211 [1,0,1,0,0,0|1,0,1]=4 936 B11R0.161 CCCCNCC(CC)OCC 34a_100015183923_100000210210 [1,0,1,0,0,0|1,0,1]=4 937 B11R0.76 C=CC(OCCCCC)C(C)C 34a_100000732651_100000718602 [1,0,1,0,0,0|2,0,0]=4 938 B11R0.76 C=CC(OCCCCC)C(C)C 7a_100000732651_100000210326 [1,0,1,0,0,0|2,0,0]=4 939 B11R0.78 CCCCCC(OCC)C(C)C 34a_200011216997_100000210202 [1,0,1,0,0,0|1,0,1]=4 940 B11R0.78 CCCCCC(OCC)C(C)C 7a_200011216997_100000210202 [1,0,1,0,0,0|1,0,1]=4 941 B11R0.78 CCCCCC(OCF)C(C)C 34a_200011216997_100015361967 [1,0,1,0,0,0|1,0,1]=4 942 B11R0.78 CCCCCC(OCF)C(C)C 7a_200011216997_100015361967 [1,0,1,0,0,0|1,0,1]=4 943 B11R0.78 CCCCCN(CC=O)C(C)C 2230a_100000223497_200015260668 [1,0,1,0,0,0|2,0,0]=4 944 B11R0.78 CCCCCN(CC=O)C(C)C 269982a_100000223497_200015260668 [1,0,1,0,0,0|2,0,0]=4 945 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [2,0,0,0,0,0|1,0,1]=4 946 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [2,0,0,0,0,0|1,0,1]=4 947 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [2,0,0,0,0,0|1,0,1]=4 948 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [2,0,0,0,0,0|1,0,1]=4 949 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [2,0,0,0,0,0|1,0,1]=4 950 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [2,0,0,0,0,0|1,0,1]=4 951 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [2,0,0,0,0,0|1,0,1]=4 952 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [2,0,0,0,0,0|1,0,1]=4 953 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [2,0,0,0,0,0|1,0,1]=4 954 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [2,0,0,0,0,0|1,0,1]=4 955 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [2,0,0,0,0,0|2,0,0]=4 956 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [2,0,0,0,0,0|2,0,0]=4 957 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [2,0,0,0,0,0|2,0,0]=4 958 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [2,0,0,0,0,0|2,0,0]=4 959 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [2,0,0,0,0,0|2,0,0]=4 960 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [2,0,0,0,0,0|2,0,0]=4 961 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [2,0,0,0,0,0|2,0,0]=4 962 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [2,0,0,0,0,0|2,0,0]=4 963 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [2,0,0,0,0,0|2,0,0]=4 964 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [2,0,0,0,0,0|2,0,0]=4 965 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [2,0,0,0,0,0|2,0,0]=4 966 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [2,0,0,0,0,0|2,0,0]=4 967 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [2,0,0,0,0,0|2,0,0]=4 968 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [2,0,0,0,0,0|2,0,0]=4 969 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [2,0,0,0,0,0|2,0,0]=4 970 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000087357_100000210303 [0,1,1,0,0,0|1,0,1]=4 971 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000211992_100153394163 [0,1,1,0,0,0|1,0,1]=4 972 B13R0.2 C#CCCCCCOCC(=O)CCC 7a_100000766912_100000747444 [0,1,1,0,0,0|0,0,2]=4 973 B13R0.2 C#CCCCCNCOC(=O)CCC 2230a_100000706060_100000034017 [0,1,1,0,0,0|0,0,2]=4 974 B13R0.2 C#CCCCCNCOC(=O)CCC 34a_100000706060_100000034017 [0,1,1,0,0,0|0,0,2]=4 975 B13R0.2 C#CCCCCOCOC(=O)CCC 34a_100000766709_100000034017 [0,1,1,0,0,0|0,0,2]=4 976 B13R0.2 C#CCCCCSCOC(=O)CCC 62a_100010269958_100000034017 [0,1,1,0,0,0|0,0,2]=4 977 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,1,1,0,0,0|1,0,1]=4 978 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,1,1,0,0,0|1,0,1]=4 979 B13R0.2 C=CCCCCCOCC(=O)CCC 7a_100011216702_100000747444 [0,1,1,0,0,0|0,0,2]=4 980 B13R0.2 C=CCCCCNCOC(=O)CCC 2230a_100000703577_100000034017 [0,1,1,0,0,0|0,0,2]=4 981 B13R0.2 C=CCCCCNCOC(=O)CCC 34a_100000703577_100000034017 [0,1,1,0,0,0|0,0,2]=4 982 B13R0.2 C=CCCCCOCOC(=O)CCC 34a_100000766645_100000034017 [0,1,1,0,0,0|0,0,2]=4 983 B13R0.2 C=CCCCCSCOC(=O)CCC 62a_100011215482_100000034017 [0,1,1,0,0,0|0,0,2]=4 984 B13R0.2 CC/C=C/CCCOCC(=O)CCC 7a_100016287902_100000747444 [0,1,1,0,0,0|0,0,2]=4 985 B13R0.2 CC/C=C\CCOCOC(=O)CCC 34a_100016288707_100000034017 [0,1,1,0,0,0|0,0,2]=4 986 B13R0.2 CC/C=C\CCSCOC(=O)CCC 62a_100015370543_100000034017 [0,1,1,0,0,0|0,0,2]=4 987 B13R0.2 CC=CCCCOCOC(=O)CCC 34a_100020645299_100000034017 [0,1,1,0,0,0|0,0,2]=4 988 B13R0.2 CCC#CCCOCOC(=O)CCC 34a_100000036655_100000034017 [0,1,1,0,0,0|0,0,2]=4 989 B13R0.2 CCC/C=C/COCOC(=O)CCC 34a_100016278788_100000034017 [0,1,1,0,0,0|0,0,2]=4 990 B13R0.2 CCCC#CCCOCC(=O)CCC 7a_100000042726_100000747444 [0,1,1,0,0,0|0,0,2]=4 991 B13R0.2 CCCC#CCOCOC(=O)CCC 34a_100000034806_100000034017 [0,1,1,0,0,0|0,0,2]=4 992 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,1,1,0,0,0|1,0,0]=3 993 B13R0.2 CCCC(=O)CNCCCCCCO 2230a_100000686447_100000747444 [0,1,1,0,0,0|2,0,0]=4 994 B13R0.2 CCCC(=O)CNCCCCCOC 2230a_100000747528_100000747444 [0,1,1,0,0,0|2,0,0]=4 995 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,1,1,0,0,0|1,0,0]=3 996 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,1,1,0,0,0|1,0,0]=3 997 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,1,1,0,0,0|1,0,0]=3 998 B13R0.2 CCCC(=O)COCCOCCOC 1458a_100011214951_100000210303 [0,1,1,0,0,0|2,0,0]=4 999 B13R0.2 CCCC(=O)COCCOCCOC 7a_100011215163_100000747444 [0,1,1,0,0,0|2,0,0]=4 1000 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100000747444_100015922095 [0,1,1,0,0,0|1,1,0]=4 1001 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100015922095_100000747444 [0,1,1,0,0,0|1,1,0]=4 1002 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000747444_100000766143 [0,1,1,0,0,0|1,1,0]=4 1003 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000766143_100000747444 [0,1,1,0,0,0|1,1,0]=4 1004 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,1,1,0,0,0|1,0,0]=3 1005 B13R0.2 CCCC(=O)NCCCOCCCO 240690a_100011310245_100000211992 [0,1,1,0,0,0|2,0,0]=4 1006 B13R0.2 CCCC(=O)NCCCOCCOC 1626a_100000206027_100000211992 [0,1,1,0,0,0|2,0,0]=4 1007 B13R0.2 CCCC(=O)NCCCOCCOC 240690a_100000206027_100000211992 [0,1,1,0,0,0|2,0,0]=4 1008 B13R0.2 CCCC(=O)NCCOCCOCC 11a_100102712874_100000211992 [0,1,1,0,0,0|2,0,0]=4 1009 B13R0.2 CCCC(=O)NCCOCCOCC 1626a_100102712874_100000211992 [0,1,1,0,0,0|2,0,0]=4 1010 B13R0.2 CCCC(=O)NCCOCCOCC 240690a_100102712874_100000211992 [0,1,1,0,0,0|2,0,0]=4 1011 B13R0.2 CCCC(=O)NCCOCCOCC 527a_100102712874_100000211992 [0,1,1,0,0,0|2,0,0]=4 1012 B13R0.2 CCCC(=O)OCNCCCCCO 2230a_100000762737_100000034017 [0,1,1,0,0,0|1,0,0]=3 1013 B13R0.2 CCCC(=O)OCNCCCCCO 34a_100000762737_100000034017 [0,1,1,0,0,0|1,0,0]=3 1014 B13R0.2 CCCC(=O)OCNCCCOCC 2230a_100000210961_100000034017 [0,1,1,0,0,0|1,0,0]=3 1015 B13R0.2 CCCC(=O)OCNCCCOCC 34a_100000210961_100000034017 [0,1,1,0,0,0|1,0,0]=3 1016 B13R0.2 CCCC(=O)OCNCCOCCO 2230a_100000211614_100000034017 [0,1,1,0,0,0|2,0,0]=4 1017 B13R0.2 CCCC(=O)OCNCCOCCO 34a_100000211614_100000034017 [0,1,1,0,0,0|2,0,0]=4 1018 B13R0.2 CCCC(=O)OCNCCSCCO 2230a_100011219999_100000034017 [0,1,1,0,0,0|2,0,0]=4 1019 B13R0.2 CCCC(=O)OCOCCCCCBr 34a_100000746331_100000034017 [0,1,1,0,0,0|1,0,0]=3 1020 B13R0.2 CCCC(=O)OCOCCCCCCl 34a_100000746330_100000034017 [0,1,1,0,0,0|1,0,0]=3 1021 B13R0.2 CCCC(=O)OCOCCCCCI 34a_200012148887_100000034017 [0,1,1,0,0,0|1,0,0]=3 1022 B13R0.2 CCCC(=O)OCOCCCCCN 34a_100000762737_100000034017 [0,1,1,0,0,0|1,0,0]=3 1023 B13R0.2 CCCC(=O)OCOCCCCOC 34a_100000740925_100000034017 [0,1,1,0,0,0|1,0,0]=3 1024 B13R0.2 CCCC(=O)OCOCCCCSC 34a_100011217163_100000034017 [0,1,1,0,0,0|1,0,0]=3 1025 B13R0.2 CCCC(=O)OCOCCCOCC 34a_100000757476_100000034017 [0,1,1,0,0,0|1,0,0]=3 1026 B13R0.2 CCCC(=O)OCOCCCSCC 34a_100011216438_100000034017 [0,1,1,0,0,0|1,0,0]=3 1027 B13R0.2 CCCC(=O)OCOCCOCCBr 34a_100000692535_100000034017 [0,1,1,0,0,0|2,0,0]=4 1028 B13R0.2 CCCC(=O)OCOCCOCCCl 34a_100011215305_100000034017 [0,1,1,0,0,0|2,0,0]=4 1029 B13R0.2 CCCC(=O)OCOCCOCCF 34a_200015357709_100000034017 [0,1,1,0,0,0|2,0,0]=4 1030 B13R0.2 CCCC(=O)OCOCCOCCI 34a_100012149058_100000034017 [0,1,1,0,0,0|2,0,0]=4 1031 B13R0.2 CCCC(=O)OCOCCOCCN 34a_100000211614_100000034017 [0,1,1,0,0,0|2,0,0]=4 1032 B13R0.2 CCCC(=O)OCSCCCCC#N 62a_100011219923_100000034017 [0,1,1,0,0,0|1,0,1]=4 1033 B13R0.2 CCCC(=O)OCSCCCCC=O 62a_100000139335_100000034017 [0,1,1,0,0,0|1,0,1]=4 1034 B13R0.2 CCCC(=O)OCSCCCCCF 62a_100000729378_100000034017 [0,1,1,0,0,0|1,0,0]=3 1035 B13R0.2 CCCC(=O)OCSCCCCCO 62a_100000746330_100000034017 [0,1,1,0,0,0|1,0,0]=3 1036 B13R0.2 CCCC(=O)OCSCCCCOC 62a_100000730899_100000034017 [0,1,1,0,0,0|1,0,0]=3 1037 B13R0.2 CCCC(=O)OCSCCCOCC 62a_100012232248_100000034017 [0,1,1,0,0,0|1,0,0]=3 1038 B13R0.2 CCCC(=O)OCSCCOCCO 62a_100011215305_100000034017 [0,1,1,0,0,0|2,0,0]=4 1039 B13R0.2 CCCC(=O)OCSCOCCOC 62a_100000231047_100000034017 [0,1,1,0,0,0|2,0,0]=4 1040 B13R0.2 CCCC(C)OCCCCCCCBr 34a_100000760002_100000766640 [0,1,1,0,0,0|1,0,1]=4 1041 B13R0.2 CCCC(C)OCCCCCCCBr 7a_100000760002_100000766640 [0,1,1,0,0,0|1,0,1]=4 1042 B13R0.2 CCCC(C)OCCCCCCCN 34a_100011996573_100000766640 [0,1,1,0,0,0|1,0,1]=4 1043 B13R0.2 CCCC(C)OCCCCCCCO 34a_100000764384_100000760002 [0,1,1,0,0,0|1,0,1]=4 1044 B13R0.2 CCCC(C)OCCCCCCCO 7a_100000764384_100000760002 [0,1,1,0,0,0|1,0,1]=4 1045 B13R0.2 CCCC(C)OCCCCCCOC 34a_100000764384_100011998445 [0,1,1,0,0,0|1,0,1]=4 1046 B13R0.2 CCCC(C)OCCCCCCOC 34a_200012092642_100000766640 [0,1,1,0,0,0|1,0,1]=4 1047 B13R0.2 CCCC(C)OCCCCCCOC 7a_100000764384_100011998445 [0,1,1,0,0,0|1,0,1]=4 1048 B13R0.2 CCCC(C)OCCCCCCOC 7a_200012092642_100000766640 [0,1,1,0,0,0|1,0,1]=4 1049 B13R0.2 CCCC/C=C/COCC(=O)CCC 7a_200016272032_100000747444 [0,1,1,0,0,0|0,0,2]=4 1050 B13R0.2 CCCCC#CCCCC(=O)CCC 1458a_100000211992_200000047210 [0,1,1,0,0,0|1,0,1]=4 1051 B13R0.2 CCCCC#CCOCC(=O)CCC 7a_200000034558_100000747444 [0,1,1,0,0,0|0,0,2]=4 1052 B13R0.2 CCCCC/C=C/CCC(=O)CCC 1458a_200015255902_100000210303 [0,1,1,0,0,0|1,0,1]=4 1053 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,1,1,0,0,0|1,0,1]=4 1054 B13R0.2 CCCCCCC=NNC(=O)CCC 4a_100000189770_100000234349 [0,1,1,0,0,0|1,0,1]=4 1055 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,1,1,0,0,0|1,0,0]=3 1056 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,1,1,0,0,0|2,0,0]=4 1057 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,1,1,0,0,0|2,0,0]=4 1058 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,1,1,0,0,0|2,0,0]=4 1059 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,1,1,0,0,0|2,0,0]=4 1060 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,1,1,0,0,0|1,0,0]=3 1061 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,1,1,0,0,0|1,0,0]=3 1062 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,1,1,0,0,0|2,0,0]=4 1063 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,1,1,0,0,0|2,0,0]=4 1064 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,1,1,0,0,0|2,0,0]=4 1065 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,1,1,0,0,0|2,0,0]=4 1066 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,1,1,0,0,0|2,0,0]=4 1067 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,1,1,0,0,0|2,0,0]=4 1068 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,1,1,0,0,0|2,0,0]=4 1069 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,1,1,0,0,0|2,0,0]=4 1070 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,1,1,0,0,0|1,0,0]=3 1071 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,1,1,0,0,0|1,0,0]=3 1072 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,1,1,0,0,0|1,0,0]=3 1073 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,1,1,0,0,0|1,0,0]=3 1074 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,1,1,0,0,0|2,0,0]=4 1075 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,1,1,0,0,0|2,0,0]=4 1076 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,1,1,0,0,0|2,0,0]=4 1077 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,1,1,0,0,0|2,0,0]=4 1078 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,1,1,0,0,0|2,0,0]=4 1079 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,1,1,0,0,0|2,0,0]=4 1080 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,1,1,0,0,0|2,0,0]=4 1081 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,1,1,0,0,0|2,0,0]=4 1082 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,1,1,0,0,0|2,0,0]=4 1083 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,1,1,0,0,0|2,0,0]=4 1084 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,1,1,0,0,0|2,0,0]=4 1085 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,1,1,0,0,0|2,0,0]=4 1086 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,1,1,0,0,0|2,0,0]=4 1087 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,1,1,0,0,0|2,0,0]=4 1088 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,1,1,0,0,0|2,0,0]=4 1089 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000210232_100000766640 [0,1,1,0,0,0|1,0,1]=4 1090 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000764384_100000210759 [0,1,1,0,0,0|1,0,1]=4 1091 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000210232_100000766640 [0,1,1,0,0,0|1,0,1]=4 1092 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000764384_100000210759 [0,1,1,0,0,0|1,0,1]=4 1093 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,1,1,0,0,0|1,0,0]=3 1094 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,1,1,0,0,0|2,0,0]=4 1095 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,1,1,0,0,0|2,0,0]=4 1096 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,1,1,0,0,0|2,0,0]=4 1097 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,1,1,0,0,0|0,0,0]=2 1098 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,1,1,0,0,0|1,0,0]=3 1099 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,1,1,0,0,0|1,0,0]=3 1100 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,1,1,0,0,0|2,0,0]=4 1101 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,1,1,0,0,0|2,0,0]=4 1102 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,1,1,0,0,0|1,0,0]=3 1103 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,1,1,0,0,0|1,0,0]=3 1104 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000210272_100011216630 [0,1,1,0,0,0|1,0,1]=4 1105 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000688023_100000210614 [0,1,1,0,0,0|1,0,1]=4 1106 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000210272_100011216630 [0,1,1,0,0,0|1,0,1]=4 1107 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000688023_100000210614 [0,1,1,0,0,0|1,0,1]=4 1108 B13R0.2 CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210614 [0,1,1,0,0,0|1,0,1]=4 1109 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,1,1,0,0,0|0,1,0]=3 1110 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,1,1,0,0,0|0,1,0]=3 1111 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,1,1,0,0,0|1,1,0]=4 1112 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,1,1,0,0,0|1,1,0]=4 1113 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,1,1,0,0,0|1,1,0]=4 1114 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,1,1,0,0,0|1,1,0]=4 1115 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,1,1,0,0,0|2,0,0]=4 1116 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,1,1,0,0,0|2,0,0]=4 1117 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,1,1,0,0,0|2,0,0]=4 1118 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,1,1,0,0,0|0,0,0]=2 1119 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,1,1,0,0,0|2,0,0]=4 1120 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,1,1,0,0,0|2,0,0]=4 1121 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,1,1,0,0,0|2,0,0]=4 1122 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,1,1,0,0,0|0,0,0]=2 1123 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,1,1,0,0,0|2,0,0]=4 1124 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,1,1,0,0,0|2,0,0]=4 1125 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,1,1,0,0,0|2,0,0]=4 1126 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,1,1,0,0,0|2,0,0]=4 1127 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,1,1,0,0,0|0,0,0]=2 1128 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,1,1,0,0,0|1,0,0]=3 1129 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,1,1,0,0,0|2,0,0]=4 1130 B13R0.2 CCCCCNCCOC(C)CCC 34a_100000224656_100000766640 [0,1,1,0,0,0|1,0,1]=4 1131 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,1,1,0,0,0|2,0,0]=4 1132 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,1,1,0,0,0|2,0,0]=4 1133 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,1,1,0,0,0|2,0,0]=4 1134 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,1,1,0,0,0|2,0,0]=4 1135 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,1,1,0,0,0|2,0,0]=4 1136 B13R0.2 CCCCCOCCOC(C)CCC 34a_100011215259_100000766640 [0,1,1,0,0,0|1,0,1]=4 1137 B13R0.2 CCCCCOCCOC(C)CCC 7a_100011215259_100000766640 [0,1,1,0,0,0|1,0,1]=4 1138 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,1,1,0,0,0|2,0,0]=4 1139 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,1,1,0,0,0|2,0,0]=4 1140 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,1,1,0,0,0|2,0,0]=4 1141 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,1,1,0,0,0|2,0,0]=4 1142 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,1,1,0,0,0|2,0,0]=4 1143 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,1,1,0,0,0|2,0,0]=4 1144 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,1,1,0,0,0|2,0,0]=4 1145 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,1,1,0,0,0|2,0,0]=4 1146 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,1,1,0,0,0|2,0,0]=4 1147 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,1,1,0,0,0|1,0,0]=3 1148 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,1,1,0,0,0|1,0,0]=3 1149 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,1,1,0,0,0|1,0,0]=3 1150 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,1,1,0,0,0|2,0,0]=4 1151 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,1,1,0,0,0|2,0,0]=4 1152 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,1,1,0,0,0|2,0,0]=4 1153 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,1,1,0,0,0|2,0,0]=4 1154 B13R0.2 CCCCOCCCNC(=O)CSC 1626a_200000211371_100000184570 [0,1,1,0,0,0|2,0,0]=4 1155 B13R0.2 CCCCOCCCNC(=O)CSC 240690a_200000211371_100000184570 [0,1,1,0,0,0|2,0,0]=4 1156 B13R0.2 CCCCOCCCNC(=O)CSC 527a_200000211371_100000184570 [0,1,1,0,0,0|2,0,0]=4 1157 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,1,1,0,0,0|2,0,0]=4 1158 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,1,1,0,0,0|2,0,0]=4 1159 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,1,1,0,0,0|2,0,0]=4 1160 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,1,1,0,0,0|2,0,0]=4 1161 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,1,1,0,0,0|2,0,0]=4 1162 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,1,1,0,0,0|2,0,0]=4 1163 B13R0.2 CCCCOCCCOC(C)CCC 34a_200011215613_100000766640 [0,1,1,0,0,0|1,0,1]=4 1164 B13R0.2 CCCCOCCCOC(C)CCC 7a_200011215613_100000766640 [0,1,1,0,0,0|1,0,1]=4 1165 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,1,1,0,0,0|1,0,0]=3 1166 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,1,1,0,0,0|1,0,0]=3 1167 B13R0.2 CCCCOCCOCC(=O)CCF 1458a_100011216887_100011217306 [0,1,1,0,0,0|2,0,0]=4 1168 B13R0.2 CCCCOCCOCC(=O)CCO 1458a_100011216887_100000211926 [0,1,1,0,0,0|2,0,0]=4 1169 B13R0.2 CCCCOCCOCC(=O)NCC 11a_100015525214_100011216887 [0,1,1,0,0,0|2,0,0]=4 1170 B13R0.2 CCCCOCCOCC(=O)NCC 240690a_100015525214_100011216887 [0,1,1,0,0,0|2,0,0]=4 1171 B13R0.2 CCCCOCCOCC(=O)NCC 34a_100000210238_100000183381 [0,1,1,0,0,0|2,0,0]=4 1172 B13R0.2 CCCCOCCOCC(=O)NCC 527a_100015525214_100011216887 [0,1,1,0,0,0|2,0,0]=4 1173 B13R0.2 CCCCOCCOCC(=O)NCC 7a_100000210238_100000183381 [0,1,1,0,0,0|2,0,0]=4 1174 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,1,1,0,0,0|2,0,0]=4 1175 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,1,1,0,0,0|2,0,0]=4 1176 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,1,1,0,0,0|2,0,0]=4 1177 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,1,1,0,0,0|2,0,0]=4 1178 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000743108_100000747444 [0,1,1,0,0,0|1,1,0]=4 1179 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000747444_100000743108 [0,1,1,0,0,0|1,1,0]=4 1180 B13R0.2 CCCCOCSCOC(=O)CCC 62a_100011995733_100000034017 [0,1,1,0,0,0|1,0,0]=3 1181 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,1,1,0,0,0|2,0,0]=4 1182 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,1,1,0,0,0|2,0,0]=4 1183 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,1,1,0,0,0|2,0,0]=4 1184 B13R0.2 CCCCSCCNCC(=O)CCC 2230a_100025743550_100000747444 [0,1,1,0,0,0|2,0,0]=4 1185 B13R0.2 CCCCSCCOCC(=O)CCC 7a_200000230436_100000747444 [0,1,1,0,0,0|1,0,0]=3 1186 B13R0.2 CCCCSCCOCC(=O)NCC 34a_200000230436_100000183381 [0,1,1,0,0,0|2,0,0]=4 1187 B13R0.2 CCCCSCCOCC(=O)NCC 7a_200000230436_100000183381 [0,1,1,0,0,0|2,0,0]=4 1188 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,1,1,0,0,0|2,0,0]=4 1189 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,1,1,0,0,0|2,0,0]=4 1190 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,1,1,0,0,0|2,0,0]=4 1191 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,1,1,0,0,0|2,0,0]=4 1192 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,1,1,0,0,0|2,0,0]=4 1193 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,1,1,0,0,0|2,0,0]=4 1194 B13R0.2 CCCOCCCNCC(=O)CCC 2230a_100011217757_100000747444 [0,1,1,0,0,0|2,0,0]=4 1195 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,1,1,0,0,0|2,0,0]=4 1196 B13R0.2 CCCOCCNCOC(=O)CCC 2230a_100161115042_100000034017 [0,1,1,0,0,0|1,0,0]=3 1197 B13R0.2 CCCOCCNCOC(=O)CCC 34a_100161115042_100000034017 [0,1,1,0,0,0|1,0,0]=3 1198 B13R0.2 CCCOCCOCOC(=O)CCC 34a_100000752267_100000034017 [0,1,1,0,0,0|1,0,0]=3 1199 B13R0.2 CCCOCCSCOC(=O)CCC 62a_100011215938_100000034017 [0,1,1,0,0,0|1,0,0]=3 1200 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,1,1,0,0,0|2,0,0]=4 1201 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,1,1,0,0,0|2,0,0]=4 1202 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,1,1,0,0,0|2,0,0]=4 1203 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,1,1,0,0,0|2,0,0]=4 1204 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,1,1,0,0,0|2,0,0]=4 1205 B13R0.2 CCCSCCNCOC(=O)CCC 2230a_100020603323_100000034017 [0,1,1,0,0,0|1,0,0]=3 1206 B13R0.2 CCCSCCOCOC(=O)CCC 34a_200000230433_100000034017 [0,1,1,0,0,0|1,0,0]=3 1207 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,1,1,0,0,0|2,0,0]=4 1208 B13R0.2 CCNC(=O)COCCCCCCBr 34a_100011215345_100000183381 [0,1,1,0,0,0|2,0,0]=4 1209 B13R0.2 CCNC(=O)COCCCCCCBr 7a_100011215345_100000183381 [0,1,1,0,0,0|2,0,0]=4 1210 B13R0.2 CCNC(=O)COCCCCCCCl 34a_100000766143_100000183381 [0,1,1,0,0,0|2,0,0]=4 1211 B13R0.2 CCNC(=O)COCCCCCCCl 7a_100000766143_100000183381 [0,1,1,0,0,0|2,0,0]=4 1212 B13R0.2 CCNC(=O)COCCCCCCF 34a_100000732779_100000183381 [0,1,1,0,0,0|2,0,0]=4 1213 B13R0.2 CCNC(=O)COCCCCCCF 7a_100000732779_100000183381 [0,1,1,0,0,0|2,0,0]=4 1214 B13R0.2 CCNC(=O)COCCCCCCN 34a_100000686447_100000183381 [0,1,1,0,0,0|2,0,0]=4 1215 B13R0.2 CCNC(=O)COCCCCCNC 34a_100000722520_100000183381 [0,1,1,0,0,0|2,0,0]=4 1216 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,1,1,0,0,0|2,0,0]=4 1217 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,1,1,0,0,0|2,0,0]=4 1218 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,1,1,0,0,0|2,0,0]=4 1219 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,1,1,0,0,0|2,0,0]=4 1220 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,1,1,0,0,0|2,0,0]=4 1221 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,1,1,0,0,0|2,0,0]=4 1222 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,1,1,0,0,0|2,0,0]=4 1223 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,1,1,0,0,0|2,0,0]=4 1224 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,1,1,0,0,0|2,0,0]=4 1225 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,1,1,0,0,0|2,0,0]=4 1226 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,1,1,0,0,0|2,0,0]=4 1227 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,1,1,0,0,0|2,0,0]=4 1228 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,1,1,0,0,0|2,0,0]=4 1229 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,1,1,0,0,0|2,0,0]=4 1230 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,1,1,0,0,0|2,0,0]=4 1231 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,1,1,0,0,0|2,0,0]=4 1232 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,1,1,0,0,0|2,0,0]=4 1233 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,1,1,0,0,0|2,0,0]=4 1234 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,1,1,0,0,0|2,0,0]=4 1235 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,1,1,0,0,0|2,0,0]=4 1236 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,1,1,0,0,0|2,0,0]=4 1237 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,1,1,0,0,0|2,0,0]=4 1238 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,1,1,0,0,0|2,0,0]=4 1239 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,1,1,0,0,0|2,0,0]=4 1240 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,1,1,0,0,0|2,0,0]=4 1241 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,1,1,0,0,0|2,0,0]=4 1242 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,1,1,0,0,0|2,0,0]=4 1243 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,1,1,0,0,0|2,0,0]=4 1244 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,1,1,0,0,0|2,0,0]=4 1245 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,1,1,0,0,0|2,0,0]=4 1246 B13R0.2 CSCC(=O)NCCCCCCCO 240690a_100011996573_100000184570 [0,1,1,0,0,0|2,0,0]=4 1247 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,1,1,0,0,0|2,0,0]=4 1248 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,1,1,0,0,0|2,0,0]=4 1249 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000210188_100000753159 [0,1,1,0,0,0|1,0,1]=4 1250 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000692101_100000210759 [0,1,1,0,0,0|1,0,1]=4 1251 B13R0.66 C#CCCC(=O)NCCCCCCC 11a_100000229938_100000692101 [0,1,1,0,0,0|1,0,1]=4 1252 B13R0.66 C#CCCC(=O)NCCCCCCC 1626a_100000229938_100000692101 [0,1,1,0,0,0|1,0,1]=4 1253 B13R0.66 C#CCCC(=O)NCCCCCCC 240690a_100000229938_100000692101 [0,1,1,0,0,0|1,0,1]=4 1254 B13R0.66 C#CCCC(=O)NCCCCCCC 527a_100000229938_100000692101 [0,1,1,0,0,0|1,0,1]=4 1255 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [0,1,1,0,0,0|1,0,1]=4 1256 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,1,1,0,0,0|1,0,1]=4 1257 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,1,1,0,0,0|1,0,1]=4 1258 B13R0.66 C=CCCC(=O)NCCCCCCC 11a_100000229938_100000749702 [0,1,1,0,0,0|1,0,1]=4 1259 B13R0.66 C=CCCC(=O)NCCCCCCC 1626a_100000229938_100000749702 [0,1,1,0,0,0|1,0,1]=4 1260 B13R0.66 C=CCCC(=O)NCCCCCCC 240690a_100000229938_100000749702 [0,1,1,0,0,0|1,0,1]=4 1261 B13R0.66 C=CCCC(=O)NCCCCCCC 527a_100000229938_100000749702 [0,1,1,0,0,0|1,0,1]=4 1262 B13R0.66 CC#CCC(=O)CCCCCCCC 1458a_100000210188_100000748600 [0,1,1,0,0,0|1,0,1]=4 1263 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [0,1,1,0,0,0|1,0,1]=4 1264 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [0,1,1,0,0,0|1,0,1]=4 1265 B13R0.66 CC=CCC(=O)NCCCCCCC 11a_100000229938_100121576822 [0,1,1,0,0,0|1,0,1]=4 1266 B13R0.66 CC=CCC(=O)NCCCCCCC 1626a_100000229938_100121576822 [0,1,1,0,0,0|1,0,1]=4 1267 B13R0.66 CC=CCC(=O)NCCCCCCC 240690a_100000229938_100121576822 [0,1,1,0,0,0|1,0,1]=4 1268 B13R0.66 CC=CCC(=O)NCCCCCCC 527a_100000229938_100121576822 [0,1,1,0,0,0|1,0,1]=4 1269 B13R0.66 CCC#CC(=O)CCCCCCCC 1458a_100011827653_100000210759 [0,1,1,0,0,0|1,0,1]=4 1270 B13R0.66 CCC=CC(=O)CCCCCCCC 1458a_100000212282_100000210759 [0,1,1,0,0,0|1,0,1]=4 1271 B13R0.66 CCC=CC(=O)NCCCCCCC 11a_100000229938_100000212282 [0,1,1,0,0,0|1,0,1]=4 1272 B13R0.66 CCC=CC(=O)NCCCCCCC 1626a_100000229938_100000212282 [0,1,1,0,0,0|1,0,1]=4 1273 B13R0.66 CCC=CC(=O)NCCCCCCC 240690a_100000229938_100000212282 [0,1,1,0,0,0|1,0,1]=4 1274 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [0,1,1,0,0,0|2,0,0]=4 1275 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [0,1,1,0,0,0|2,0,0]=4 1276 B13R0.66 CCCCC(=O)CCCCCCOC 1458a_100000210183_100011998445 [0,1,1,0,0,0|2,0,0]=4 1277 B13R0.66 CCCCC(=O)NCCCCCCO 240690a_100000686447_100000210183 [0,1,1,0,0,0|2,0,0]=4 1278 B13R0.66 CCCCC(=O)NCCCCCCO 527a_100000686447_100000210183 [0,1,1,0,0,0|2,0,0]=4 1279 B13R0.66 CCCCC(=O)NCCCCCOC 11a_100000747528_100000210183 [0,1,1,0,0,0|2,0,0]=4 1280 B13R0.66 CCCCC(=O)NCCCCCOC 1626a_100000747528_100000210183 [0,1,1,0,0,0|2,0,0]=4 1281 B13R0.66 CCCCC(=O)NCCCCCOC 240690a_100000747528_100000210183 [0,1,1,0,0,0|2,0,0]=4 1282 B13R0.66 CCCCC(=O)NCCCCCOC 527a_100000747528_100000210183 [0,1,1,0,0,0|2,0,0]=4 1283 B13R0.66 CCCCC(=O)NCCCOCCC 1626a_100011217757_100000210183 [0,1,1,0,0,0|2,0,0]=4 1284 B13R0.66 CCCCC(=O)NCCCOCCC 240690a_100011217757_100000210183 [0,1,1,0,0,0|2,0,0]=4 1285 B13R0.66 CCCCC(=O)NCCCOCCC 527a_100011217757_100000210183 [0,1,1,0,0,0|2,0,0]=4 1286 B13R0.66 CCCCCCC=CC(=O)CCCC 1458a_200015324643_100000210211 [0,1,1,0,0,0|1,0,1]=4 1287 B13R0.66 CCCCCCC=CC(=O)CCCF 1458a_200015324643_100011934791 [0,1,1,0,0,0|1,0,1]=4 1288 B13R0.66 CCCCCCC=CC(=O)CCCO 1458a_200015324643_100011215043 [0,1,1,0,0,0|1,0,1]=4 1289 B13R0.66 CCCCCCC=CC(=O)CCOC 1458a_200015324643_100000233755 [0,1,1,0,0,0|1,0,1]=4 1290 B13R0.66 CCCCCCC=CC(=O)CCSC 1458a_200015324643_100000751147 [0,1,1,0,0,0|1,0,1]=4 1291 B13R0.66 CCCCCCC=CC(=O)NCCC 11a_100020643023_200015324643 [0,1,1,0,0,0|1,0,1]=4 1292 B13R0.66 CCCCCCC=CC(=O)NCCC 1626a_100020643023_200015324643 [0,1,1,0,0,0|1,0,1]=4 1293 B13R0.66 CCCCCCC=CC(=O)NCCC 240690a_100020643023_200015324643 [0,1,1,0,0,0|1,0,1]=4 1294 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100000210188_100011215226 [0,1,1,0,0,0|1,0,1]=4 1295 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210759 [0,1,1,0,0,0|1,0,1]=4 1296 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [0,1,1,0,0,0|1,0,0]=3 1297 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [0,1,1,0,0,0|1,0,0]=3 1298 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [0,1,1,0,0,0|1,0,0]=3 1299 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [0,1,1,0,0,0|1,0,0]=3 1300 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [0,1,1,0,0,0|1,0,0]=3 1301 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [0,1,1,0,0,0|1,0,0]=3 1302 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [0,1,1,0,0,0|1,0,0]=3 1303 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [0,1,1,0,0,0|1,0,0]=3 1304 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [0,1,1,0,0,0|1,0,0]=3 1305 B13R0.66 CCCCCCCCC(=O)CSCC 1458a_100000230394_100000210759 [0,1,1,0,0,0|1,0,0]=3 1306 B13R0.66 CCCCCCCCC(=O)NCCC 11a_100020643023_100000210188 [0,1,1,0,0,0|1,0,0]=3 1307 B13R0.66 CCCCCCCCC(=O)NCCC 1626a_100020643023_100000210188 [0,1,1,0,0,0|1,0,0]=3 1308 B13R0.66 CCCCCCCCC(=O)NCCC 240690a_100020643023_100000210188 [0,1,1,0,0,0|1,0,0]=3 1309 B13R0.66 CCCCCCCCC(=O)NCCC 527a_100020643023_100000210188 [0,1,1,0,0,0|1,0,0]=3 1310 B13R0.66 CCCCCCCCC(=O)NCCF 11a_100000724931_100000210188 [0,1,1,0,0,0|2,0,0]=4 1311 B13R0.66 CCCCCCCCC(=O)NCCF 1626a_100000724931_100000210188 [0,1,1,0,0,0|2,0,0]=4 1312 B13R0.66 CCCCCCCCC(=O)NCCF 240690a_100000724931_100000210188 [0,1,1,0,0,0|2,0,0]=4 1313 B13R0.66 CCCCCCCCC(=O)NCCF 527a_100000724931_100000210188 [0,1,1,0,0,0|2,0,0]=4 1314 B13R0.66 CCCCCCCCC(=O)NCCO 240690a_100000210304_100000210188 [0,1,1,0,0,0|2,0,0]=4 1315 B13R0.66 CCCCCCCCC(=O)NCCO 527a_100000210304_100000210188 [0,1,1,0,0,0|2,0,0]=4 1316 B13R0.66 CCCCCCCCC(=O)NNCC 22a_100000756455_100000210188 [0,1,1,0,0,0|2,0,0]=4 1317 B13R0.66 CCCCCCCNC(=O)CCC#N 11a_100000229938_100011934036 [0,1,1,0,0,0|1,0,1]=4 1318 B13R0.66 CCCCCCCNC(=O)CCC#N 1626a_100000229938_100011934036 [0,1,1,0,0,0|1,0,1]=4 1319 B13R0.66 CCCCCCCNC(=O)CCC#N 240690a_100000229938_100011934036 [0,1,1,0,0,0|1,0,1]=4 1320 B13R0.66 CCCCCCCNC(=O)CCC#N 527a_100000229938_100011934036 [0,1,1,0,0,0|1,0,1]=4 1321 B13R0.66 CCCCCCCNC(=O)CCCC 11a_100000229938_100000210183 [0,1,1,0,0,0|1,0,0]=3 1322 B13R0.66 CCCCCCCNC(=O)CCCC 1626a_100000229938_100000210183 [0,1,1,0,0,0|1,0,0]=3 1323 B13R0.66 CCCCCCCNC(=O)CCCC 240690a_100000229938_100000210183 [0,1,1,0,0,0|1,0,0]=3 1324 B13R0.66 CCCCCCCNC(=O)CCCC 527a_100000229938_100000210183 [0,1,1,0,0,0|1,0,0]=3 1325 B13R0.66 CCCCCCCNC(=O)CCOC 11a_100000229938_100000749529 [0,1,1,0,0,0|1,0,0]=3 1326 B13R0.66 CCCCCCCNC(=O)CCOC 1626a_100000229938_100000749529 [0,1,1,0,0,0|1,0,0]=3 1327 B13R0.66 CCCCCCCNC(=O)CCOC 240690a_100000229938_100000749529 [0,1,1,0,0,0|1,0,0]=3 1328 B13R0.66 CCCCCCCNC(=O)CCOC 527a_100000229938_100000749529 [0,1,1,0,0,0|1,0,0]=3 1329 B13R0.66 CCCCCCCNC(=O)CCSC 11a_100000229938_100000174002 [0,1,1,0,0,0|1,0,0]=3 1330 B13R0.66 CCCCCCCNC(=O)CCSC 1626a_100000229938_100000174002 [0,1,1,0,0,0|1,0,0]=3 1331 B13R0.66 CCCCCCCNC(=O)CCSC 240690a_100000229938_100000174002 [0,1,1,0,0,0|1,0,0]=3 1332 B13R0.66 CCCCCCCNC(=O)CCSC 527a_100000229938_100000174002 [0,1,1,0,0,0|1,0,0]=3 1333 B13R0.66 CCCCCCCNC(=O)COCC 11a_100000229938_100000211967 [0,1,1,0,0,0|1,0,0]=3 1334 B13R0.66 CCCCCCCNC(=O)COCC 1626a_100000229938_100000211967 [0,1,1,0,0,0|1,0,0]=3 1335 B13R0.66 CCCCCCCNC(=O)COCC 240690a_100000229938_100000211967 [0,1,1,0,0,0|1,0,0]=3 1336 B13R0.66 CCCCCCCNC(=O)COCC 527a_100000229938_100000211967 [0,1,1,0,0,0|1,0,0]=3 1337 B13R0.66 CCCCCCCNC(=O)CSCC 11a_100000229938_100000230394 [0,1,1,0,0,0|1,0,0]=3 1338 B13R0.66 CCCCCCCNC(=O)CSCC 1626a_100000229938_100000230394 [0,1,1,0,0,0|1,0,0]=3 1339 B13R0.66 CCCCCCCNC(=O)CSCC 240690a_100000229938_100000230394 [0,1,1,0,0,0|1,0,0]=3 1340 B13R0.66 CCCCCCCNC(=O)CSCC 527a_100000229938_100000230394 [0,1,1,0,0,0|1,0,0]=3 1341 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100000229938_100020643023 [0,1,1,0,0,0|1,0,0]=3 1342 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100020643023_100000229938 [0,1,1,0,0,0|1,0,0]=3 1343 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100000229938_100020643023 [0,1,1,0,0,0|1,0,0]=3 1344 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100020643023_100000229938 [0,1,1,0,0,0|1,0,0]=3 1345 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100000229938_100020643023 [0,1,1,0,0,0|1,0,0]=3 1346 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100020643023_100000229938 [0,1,1,0,0,0|1,0,0]=3 1347 B13R0.66 CCCCCCCNC(=O)NCCF 2708a_100000229938_100000724931 [0,1,1,0,0,0|2,0,0]=4 1348 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000229938_100000724931 [0,1,1,0,0,0|2,0,0]=4 1349 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000724931_100000229938 [0,1,1,0,0,0|2,0,0]=4 1350 B13R0.66 CCCCCCCNC(=O)NCCF 512a_100000229938_100000724931 [0,1,1,0,0,0|2,0,0]=4 1351 B13R0.66 CCCCCCCNC(=O)NCCO 2708a_100000229938_100000210304 [0,1,1,0,0,0|2,0,0]=4 1352 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000210304_100000229938 [0,1,1,0,0,0|2,0,0]=4 1353 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000229938_100000210304 [0,1,1,0,0,0|2,0,0]=4 1354 B13R0.66 CCCCCCCNC(=O)NCCO 512a_100000229938_100000210304 [0,1,1,0,0,0|2,0,0]=4 1355 B13R0.66 CCCCCCCNC(=O)NNCC 273464a_100000229938_100000756455 [0,1,1,0,0,0|2,0,0]=4 1356 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000229938_100000756455 [0,1,1,0,0,0|2,0,0]=4 1357 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000756455_100000229938 [0,1,1,0,0,0|2,0,0]=4 1358 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000210272_200011215066 [0,1,1,0,0,0|1,0,1]=4 1359 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000687866_100000210614 [0,1,1,0,0,0|1,0,1]=4 1360 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000210272_200011215066 [0,1,1,0,0,0|1,0,1]=4 1361 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000687866_100000210614 [0,1,1,0,0,0|1,0,1]=4 1362 B13R0.66 CCCCCCCOC(C)CCCCl 34a_200000718107_100000210614 [0,1,1,0,0,0|1,0,1]=4 1363 B13R0.66 CCCCCCCOC(C)CCCCl 7a_200000718107_100000210614 [0,1,1,0,0,0|1,0,1]=4 1364 B13R0.66 CCCCCCCOC(C)COCC 34a_100000718985_100000210614 [0,1,1,0,0,0|1,0,1]=4 1365 B13R0.66 CCCCCCCOC(C)COCC 7a_100000718985_100000210614 [0,1,1,0,0,0|1,0,1]=4 1366 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000174927_100000210314 [0,1,1,0,0,0|2,0,0]=4 1367 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000210581_100000183358 [0,1,1,0,0,0|2,0,0]=4 1368 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [0,1,1,0,0,0|2,0,0]=4 1369 B13R0.66 CCCCCCOCC(=O)NCCC 34a_100000210259_100000183358 [0,1,1,0,0,0|2,0,0]=4 1370 B13R0.66 CCCCCCOCC(=O)NCCC 7a_100000210259_100000183358 [0,1,1,0,0,0|2,0,0]=4 1371 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [0,1,1,0,0,0|2,0,0]=4 1372 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [0,1,1,0,0,0|2,0,0]=4 1373 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000183358_100000210757 [0,1,1,0,0,0|2,0,0]=4 1374 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000210314_100000183358 [0,1,1,0,0,0|2,0,0]=4 1375 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [0,1,1,0,0,0|2,0,0]=4 1376 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [0,1,1,0,0,0|2,0,0]=4 1377 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [0,1,1,0,0,0|1,0,0]=3 1378 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [0,1,1,0,0,0|1,0,0]=3 1379 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [0,1,1,0,0,0|1,0,0]=3 1380 B13R0.66 CCCCNCCCC(=O)NCCC 2230a_100000102301_100011194427 [0,1,1,0,0,0|2,0,0]=4 1381 B13R0.66 CCCCNCCCC(=O)NCCC 7a_106832991798_100011194427 [0,1,1,0,0,0|2,0,0]=4 1382 B13R0.66 CCCCOCCCC(=O)NCCC 7a_100000210227_100011194427 [0,1,1,0,0,0|2,0,0]=4 1383 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100000210211_100011194427 [0,1,1,0,0,0|2,0,0]=4 1384 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100011194427_100000210210 [0,1,1,0,0,0|2,0,0]=4 1385 B13R0.66 CCCCSCCNC(=O)CCCC 11a_100025743550_100000210183 [0,1,1,0,0,0|2,0,0]=4 1386 B13R0.66 CCCCSCCNC(=O)CCCC 1626a_100025743550_100000210183 [0,1,1,0,0,0|2,0,0]=4 1387 B13R0.66 CCCCSCCNC(=O)CCCC 240690a_100025743550_100000210183 [0,1,1,0,0,0|2,0,0]=4 1388 B13R0.66 CCCCSCCNC(=O)CCCC 527a_100025743550_100000210183 [0,1,1,0,0,0|2,0,0]=4 1389 B13R0.66 CCCCSCCNC(=O)CCOC 11a_100025743550_100000749529 [0,1,1,0,0,0|2,0,0]=4 1390 B13R0.66 CCCCSCCNC(=O)CCOC 1626a_100025743550_100000749529 [0,1,1,0,0,0|2,0,0]=4 1391 B13R0.66 CCCCSCCNC(=O)CCOC 240690a_100025743550_100000749529 [0,1,1,0,0,0|2,0,0]=4 1392 B13R0.66 CCCCSCCNC(=O)CCOC 527a_100025743550_100000749529 [0,1,1,0,0,0|2,0,0]=4 1393 B13R0.66 CCCCSCCNC(=O)CCSC 11a_100025743550_100000174002 [0,1,1,0,0,0|2,0,0]=4 1394 B13R0.66 CCCCSCCNC(=O)CCSC 1626a_100025743550_100000174002 [0,1,1,0,0,0|2,0,0]=4 1395 B13R0.66 CCCCSCCNC(=O)CCSC 240690a_100025743550_100000174002 [0,1,1,0,0,0|2,0,0]=4 1396 B13R0.66 CCCCSCCNC(=O)CCSC 527a_100025743550_100000174002 [0,1,1,0,0,0|2,0,0]=4 1397 B13R0.66 CCCCSCCNC(=O)COCC 11a_100025743550_100000211967 [0,1,1,0,0,0|2,0,0]=4 1398 B13R0.66 CCCCSCCNC(=O)COCC 1626a_100025743550_100000211967 [0,1,1,0,0,0|2,0,0]=4 1399 B13R0.66 CCCCSCCNC(=O)COCC 240690a_100025743550_100000211967 [0,1,1,0,0,0|2,0,0]=4 1400 B13R0.66 CCCCSCCNC(=O)COCC 527a_100025743550_100000211967 [0,1,1,0,0,0|2,0,0]=4 1401 B13R0.66 CCCCSCCNC(=O)CSCC 11a_100025743550_100000230394 [0,1,1,0,0,0|2,0,0]=4 1402 B13R0.66 CCCCSCCNC(=O)CSCC 1626a_100025743550_100000230394 [0,1,1,0,0,0|2,0,0]=4 1403 B13R0.66 CCCCSCCNC(=O)CSCC 240690a_100025743550_100000230394 [0,1,1,0,0,0|2,0,0]=4 1404 B13R0.66 CCCCSCCNC(=O)CSCC 527a_100025743550_100000230394 [0,1,1,0,0,0|2,0,0]=4 1405 B13R0.66 CCCCSCCNC(=O)NCCC 2708a_100020643023_100025743550 [0,1,1,0,0,0|2,0,0]=4 1406 B13R0.66 CCCCSCCNC(=O)NCCC 2708a_100025743550_100020643023 [0,1,1,0,0,0|2,0,0]=4 1407 B13R0.66 CCCCSCCNC(=O)NCCC 273464a_100020643023_100025743550 [0,1,1,0,0,0|2,0,0]=4 1408 B13R0.66 CCCCSCCNC(=O)NCCC 273464a_100025743550_100020643023 [0,1,1,0,0,0|2,0,0]=4 1409 B13R0.66 CCCCSCCNC(=O)NCCC 512a_100020643023_100025743550 [0,1,1,0,0,0|2,0,0]=4 1410 B13R0.66 CCCCSCCNC(=O)NCCC 512a_100025743550_100020643023 [0,1,1,0,0,0|2,0,0]=4 1411 B13R0.66 CCCNC(=O)CCCCCCCO 240690a_100020643023_100011219782 [0,1,1,0,0,0|2,0,0]=4 1412 B13R0.66 CCCNC(=O)NCCCCCCO 2708a_100020643023_100000686447 [0,1,1,0,0,0|2,0,0]=4 1413 B13R0.66 CCCNC(=O)NCCCCCCO 273464a_100000686447_100020643023 [0,1,1,0,0,0|2,0,0]=4 1414 B13R0.66 CCCNC(=O)NCCCCCCO 273464a_100020643023_100000686447 [0,1,1,0,0,0|2,0,0]=4 1415 B13R0.66 CCCNC(=O)NCCCCCCO 512a_100000686447_100020643023 [0,1,1,0,0,0|2,0,0]=4 1416 B13R0.66 CCCNC(=O)NCCCCCCO 512a_100020643023_100000686447 [0,1,1,0,0,0|2,0,0]=4 1417 B13R0.66 CCCNC(=O)NCCCCCOC 2708a_100000747528_100020643023 [0,1,1,0,0,0|2,0,0]=4 1418 B13R0.66 CCCNC(=O)NCCCCCOC 2708a_100020643023_100000747528 [0,1,1,0,0,0|2,0,0]=4 1419 B13R0.66 CCCNC(=O)NCCCCCOC 273464a_100000747528_100020643023 [0,1,1,0,0,0|2,0,0]=4 1420 B13R0.66 CCCNC(=O)NCCCCCOC 273464a_100020643023_100000747528 [0,1,1,0,0,0|2,0,0]=4 1421 B13R0.66 CCCNC(=O)NCCCCCOC 512a_100000747528_100020643023 [0,1,1,0,0,0|2,0,0]=4 1422 B13R0.66 CCCNC(=O)NCCCCCOC 512a_100020643023_100000747528 [0,1,1,0,0,0|2,0,0]=4 1423 B13R0.66 CCCNC(=O)NCCCOCCC 2708a_100011217757_100020643023 [0,1,1,0,0,0|2,0,0]=4 1424 B13R0.66 CCCNC(=O)NCCCOCCC 2708a_100020643023_100011217757 [0,1,1,0,0,0|2,0,0]=4 1425 B13R0.66 CCCNC(=O)NCCCOCCC 273464a_100011217757_100020643023 [0,1,1,0,0,0|2,0,0]=4 1426 B13R0.66 CCCNC(=O)NCCCOCCC 273464a_100020643023_100011217757 [0,1,1,0,0,0|2,0,0]=4 1427 B13R0.66 CCCNC(=O)NCCCOCCC 512a_100011217757_100020643023 [0,1,1,0,0,0|2,0,0]=4 1428 B13R0.66 CCCNC(=O)NCCCOCCC 512a_100020643023_100011217757 [0,1,1,0,0,0|2,0,0]=4 1429 B13R0.66 CCCOC(=O)OCNCCCCO 34a_100000750430_200000139673 [0,1,1,0,0,0|2,0,0]=4 1430 B13R0.66 CCCOC(=O)OCNCCCOC 34a_100150723488_200000139673 [0,1,1,0,0,0|2,0,0]=4 1431 B13R0.66 CCCOC(=O)OCNCCOCC 34a_102516460346_200000139673 [0,1,1,0,0,0|2,0,0]=4 1432 B13R0.66 CCCOC(=O)OCOCCCCBr 34a_100011216708_200000139673 [0,1,1,0,0,0|2,0,0]=4 1433 B13R0.66 CCCOC(=O)OCOCCCCCl 34a_100000210776_200000139673 [0,1,1,0,0,0|2,0,0]=4 1434 B13R0.66 CCCOC(=O)OCOCCCCCl 7a_100000210776_200000139673 [0,1,1,0,0,0|2,0,0]=4 1435 B13R0.66 CCCOC(=O)OCOCCCCF 34a_100011995726_200000139673 [0,1,1,0,0,0|2,0,0]=4 1436 B13R0.66 CCCOC(=O)OCOCCCCF 7a_100011995726_200000139673 [0,1,1,0,0,0|2,0,0]=4 1437 B13R0.66 CCCOC(=O)OCOCCCCI 34a_200012148704_200000139673 [0,1,1,0,0,0|2,0,0]=4 1438 B13R0.66 CCCOC(=O)OCOCCCCN 34a_100000750430_200000139673 [0,1,1,0,0,0|2,0,0]=4 1439 B13R0.66 CCCOC(=O)OCOCCCNC 34a_100000213112_200000139673 [0,1,1,0,0,0|2,0,0]=4 1440 B13R0.66 CCCOC(=O)OCOCCCOC 34a_100000740835_200000139673 [0,1,1,0,0,0|2,0,0]=4 1441 B13R0.66 CCCOC(=O)OCOCCCSC 34a_100000690336_200000139673 [0,1,1,0,0,0|2,0,0]=4 1442 B13R0.66 CCCOC(=O)OCOCCCSC 7a_100000690336_200000139673 [0,1,1,0,0,0|2,0,0]=4 1443 B13R0.66 CCCOC(=O)OCOCCOCC 34a_100000210136_200000139673 [0,1,1,0,0,0|2,0,0]=4 1444 B13R0.66 CCCOC(=O)OCOCCOCC 7a_100000210136_200000139673 [0,1,1,0,0,0|2,0,0]=4 1445 B13R0.66 CCCOC(=O)OCOCCSCC 34a_100000212035_200000139673 [0,1,1,0,0,0|2,0,0]=4 1446 B13R0.66 CCCOC(=O)OCOCCSCC 7a_100000212035_200000139673 [0,1,1,0,0,0|2,0,0]=4 1447 B13R0.66 CCCOC(=O)OCSCCCCF 62a_100000729493_200000139673 [0,1,1,0,0,0|2,0,0]=4 1448 B13R0.66 CCCOC(=O)OCSCCCCO 62a_100000210776_200000139673 [0,1,1,0,0,0|2,0,0]=4 1449 B13R0.66 CCCOC(=O)OCSCCCOC 62a_100000709357_200000139673 [0,1,1,0,0,0|2,0,0]=4 1450 B13R0.66 CCCOC(=O)OCSCCOCC 62a_100000210147_200000139673 [0,1,1,0,0,0|2,0,0]=4 1451 B13R0.66 CCCOC(=O)OCSCCSCC 62a_100000757381_200000139673 [0,1,1,0,0,0|2,0,0]=4 1452 B13R0.66 CCCOCCCNC(=O)CCOC 1626a_100011217757_100000749529 [0,1,1,0,0,0|2,0,0]=4 1453 B13R0.66 CCCOCCCNC(=O)CCOC 240690a_100011217757_100000749529 [0,1,1,0,0,0|2,0,0]=4 1454 B13R0.66 CCCOCCCNC(=O)CCOC 527a_100011217757_100000749529 [0,1,1,0,0,0|2,0,0]=4 1455 B13R0.66 CCCOCCCNC(=O)CCSC 1626a_100011217757_100000174002 [0,1,1,0,0,0|2,0,0]=4 1456 B13R0.66 CCCOCCCNC(=O)CCSC 240690a_100011217757_100000174002 [0,1,1,0,0,0|2,0,0]=4 1457 B13R0.66 CCCOCCCNC(=O)CCSC 527a_100011217757_100000174002 [0,1,1,0,0,0|2,0,0]=4 1458 B13R0.66 CCCOCCCNC(=O)COCC 1626a_100011217757_100000211967 [0,1,1,0,0,0|2,0,0]=4 1459 B13R0.66 CCCOCCCNC(=O)COCC 240690a_100011217757_100000211967 [0,1,1,0,0,0|2,0,0]=4 1460 B13R0.66 CCCOCCCNC(=O)COCC 527a_100011217757_100000211967 [0,1,1,0,0,0|2,0,0]=4 1461 B13R0.66 CCCOCCCNC(=O)CSCC 1626a_100011217757_100000230394 [0,1,1,0,0,0|2,0,0]=4 1462 B13R0.66 CCCOCCCNC(=O)CSCC 240690a_100011217757_100000230394 [0,1,1,0,0,0|2,0,0]=4 1463 B13R0.66 CCCOCCCNC(=O)CSCC 527a_100011217757_100000230394 [0,1,1,0,0,0|2,0,0]=4 1464 B13R0.66 CCOCC(=O)CCCCCCCO 1458a_100000211967_100000760002 [0,1,1,0,0,0|2,0,0]=4 1465 B13R0.66 CCOCC(=O)CCCCCCOC 1458a_100000211967_100011998445 [0,1,1,0,0,0|2,0,0]=4 1466 B13R0.66 CCOCC(=O)NCCCCCCO 240690a_100000686447_100000211967 [0,1,1,0,0,0|2,0,0]=4 1467 B13R0.66 CCOCC(=O)NCCCCCCO 527a_100000686447_100000211967 [0,1,1,0,0,0|2,0,0]=4 1468 B13R0.66 CCOCC(=O)NCCCCCOC 11a_100000747528_100000211967 [0,1,1,0,0,0|2,0,0]=4 1469 B13R0.66 CCOCC(=O)NCCCCCOC 1626a_100000747528_100000211967 [0,1,1,0,0,0|2,0,0]=4 1470 B13R0.66 CCOCC(=O)NCCCCCOC 240690a_100000747528_100000211967 [0,1,1,0,0,0|2,0,0]=4 1471 B13R0.66 CCOCC(=O)NCCCCCOC 527a_100000747528_100000211967 [0,1,1,0,0,0|2,0,0]=4 1472 B13R0.66 CCSCC(=O)CCCCCCCO 1458a_100000230394_100000760002 [0,1,1,0,0,0|2,0,0]=4 1473 B13R0.66 CCSCC(=O)CCCCCCOC 1458a_100000230394_100011998445 [0,1,1,0,0,0|2,0,0]=4 1474 B13R0.66 CCSCC(=O)NCCCCCCO 240690a_100000686447_100000230394 [0,1,1,0,0,0|2,0,0]=4 1475 B13R0.66 CCSCC(=O)NCCCCCCO 527a_100000686447_100000230394 [0,1,1,0,0,0|2,0,0]=4 1476 B13R0.66 CCSCC(=O)NCCCCCOC 11a_100000747528_100000230394 [0,1,1,0,0,0|2,0,0]=4 1477 B13R0.66 CCSCC(=O)NCCCCCOC 1626a_100000747528_100000230394 [0,1,1,0,0,0|2,0,0]=4 1478 B13R0.66 CCSCC(=O)NCCCCCOC 240690a_100000747528_100000230394 [0,1,1,0,0,0|2,0,0]=4 1479 B13R0.66 CCSCC(=O)NCCCCCOC 527a_100000747528_100000230394 [0,1,1,0,0,0|2,0,0]=4 1480 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100000749529_100000760002 [0,1,1,0,0,0|2,0,0]=4 1481 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100011219782_100000233755 [0,1,1,0,0,0|2,0,0]=4 1482 B13R0.66 COCCC(=O)NCCCCCCO 240690a_100000686447_100000749529 [0,1,1,0,0,0|2,0,0]=4 1483 B13R0.66 COCCC(=O)NCCCCCCO 527a_100000686447_100000749529 [0,1,1,0,0,0|2,0,0]=4 1484 B13R0.66 COCCCCCCC(=O)CCOC 1458a_100000749529_100011998445 [0,1,1,0,0,0|2,0,0]=4 1485 B13R0.66 COCCCCCCC(=O)CCSC 1458a_100000174002_100011998445 [0,1,1,0,0,0|2,0,0]=4 1486 B13R0.66 COCCCCCNC(=O)CCOC 11a_100000747528_100000749529 [0,1,1,0,0,0|2,0,0]=4 1487 B13R0.66 COCCCCCNC(=O)CCOC 1626a_100000747528_100000749529 [0,1,1,0,0,0|2,0,0]=4 1488 B13R0.66 COCCCCCNC(=O)CCOC 240690a_100000747528_100000749529 [0,1,1,0,0,0|2,0,0]=4 1489 B13R0.66 COCCCCCNC(=O)CCOC 527a_100000747528_100000749529 [0,1,1,0,0,0|2,0,0]=4 1490 B13R0.66 COCCCCCNC(=O)CCSC 11a_100000747528_100000174002 [0,1,1,0,0,0|2,0,0]=4 1491 B13R0.66 COCCCCCNC(=O)CCSC 1626a_100000747528_100000174002 [0,1,1,0,0,0|2,0,0]=4 1492 B13R0.66 COCCCCCNC(=O)CCSC 240690a_100000747528_100000174002 [0,1,1,0,0,0|2,0,0]=4 1493 B13R0.66 COCCCCCNC(=O)CCSC 527a_100000747528_100000174002 [0,1,1,0,0,0|2,0,0]=4 1494 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100000174002_100000760002 [0,1,1,0,0,0|2,0,0]=4 1495 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100011219782_100000751147 [0,1,1,0,0,0|2,0,0]=4 1496 B13R0.66 CSCCC(=O)NCCCCCCO 240690a_100000686447_100000174002 [0,1,1,0,0,0|2,0,0]=4 1497 B13R0.66 CSCCC(=O)NCCCCCCO 527a_100000686447_100000174002 [0,1,1,0,0,0|2,0,0]=4 1498 B13R0.66 O=C(CCCF)CCCCCCCO 1458a_100011219782_100011934791 [0,1,1,0,0,0|2,0,0]=4 1499 B13R0.66 O=C(CCCO)CCCCCCCO 1458a_100011219782_100011215043 [0,1,1,0,0,0|2,0,0]=4 1500 B13R0.87 CCCC(=O)COCCCC(C)CC 7a_100011216074_100000747444 [0,1,1,0,0,0|2,0,0]=4 1501 B13R0.87 CCCC(=O)OCNCCC(C)CC 2230a_100020591266_100000034017 [0,1,1,0,0,0|1,0,0]=3 1502 B13R0.87 CCCC(=O)OCNCCC(C)CO 2230a_106354213184_100000034017 [0,1,1,0,0,0|2,0,0]=4 1503 B13R0.87 CCCC(=O)OCNCCC(C)CO 34a_106354213184_100000034017 [0,1,1,0,0,0|2,0,0]=4 1504 B13R0.88 CC(C)CCCCCCC(=O)CCF 1458a_100000040743_100011217306 [0,1,1,0,0,0|2,0,0]=4 1505 B13R0.88 CC(C)CCCCCCC(=O)CCO 1458a_100000040743_100000211926 [0,1,1,0,0,0|2,0,0]=4 1506 B13R0.88 CC(C)CCCCCNC(=O)CCO 240690a_100011290863_100011216618 [0,1,1,0,0,0|2,0,0]=4 1507 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [0,1,1,0,0,0|1,0,0]=3 1508 B13R0.88 CCCC(=O)COCCCCC(C)C 7a_100011214890_100000747444 [0,1,1,0,0,0|2,0,0]=4 1509 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100000747444_100011216152 [0,1,1,0,0,0|2,0,0]=4 1510 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100011216152_100000747444 [0,1,1,0,0,0|2,0,0]=4 1511 B13R0.88 CCCC(=O)NCCCCCC(C)C 1626a_100011290863_100000211992 [0,1,1,0,0,0|1,0,0]=3 1512 B13R0.88 CCCC(=O)NCCCCCC(C)C 240690a_100011290863_100000211992 [0,1,1,0,0,0|1,0,0]=3 1513 B13R0.88 CCCC(=O)NCCCCCC(C)C 527a_100011290863_100000211992 [0,1,1,0,0,0|1,0,0]=3 1514 B13R0.88 CCCC(=O)NCCCCCN(C)C 240690a_100020635752_100000211992 [0,1,1,0,0,0|2,0,0]=4 1515 B13R0.88 CCCC(=O)NCCCOCC(C)C 11a_100000205972_100000211992 [0,1,1,0,0,0|2,0,0]=4 1516 B13R0.88 CCCC(=O)NCCCOCC(C)C 1626a_100000205972_100000211992 [0,1,1,0,0,0|2,0,0]=4 1517 B13R0.88 CCCC(=O)NCCCOCC(C)C 240690a_100000205972_100000211992 [0,1,1,0,0,0|2,0,0]=4 1518 B13R0.88 CCCC(=O)NCCCOCC(C)C 527a_100000205972_100000211992 [0,1,1,0,0,0|2,0,0]=4 1519 B13R0.88 CCCC(=O)OCNCCCC(C)C 2230a_200000737386_100000034017 [0,1,1,0,0,0|1,0,0]=3 1520 B13R0.88 CCCC(=O)OCNCCCC(C)C 34a_200000737386_100000034017 [0,1,1,0,0,0|1,0,0]=3 1521 B13R0.88 CCCC(=O)OCNCCCS(=O)C 2230a_200000753449_100000034017 [0,1,1,0,0,0|2,0,0]=4 1522 B13R0.88 CCCC(=O)OCNCCOC(C)C 2230a_100000701111_100000034017 [0,1,1,0,0,0|2,0,0]=4 1523 B13R0.88 CCCC(=O)OCNCCOC(C)C 34a_100000701111_100000034017 [0,1,1,0,0,0|2,0,0]=4 1524 B13R0.88 CCCC(=O)OCNCCSC(C)C 2230a_100000731138_100000034017 [0,1,1,0,0,0|2,0,0]=4 1525 B13R0.88 CCCC(=O)OCNCCSC(C)C 34a_100000731138_100000034017 [0,1,1,0,0,0|2,0,0]=4 1526 B13R0.88 CCCC(=O)OCOCCCC(=O)C 34a_100000759063_100000034017 [0,1,1,0,0,0|1,0,1]=4 1527 B13R0.88 CCCC(=O)OCOCCCC(C)C 34a_100000210774_100000034017 [0,1,1,0,0,0|1,0,0]=3 1528 B13R0.88 CCCC(=O)OCOCCNC(C)C 34a_100000224655_100000034017 [0,1,1,0,0,0|2,0,0]=4 1529 B13R0.88 CCCC(=O)OCOCCOC(C)C 34a_100000211219_100000034017 [0,1,1,0,0,0|2,0,0]=4 1530 B13R0.88 CCCC(=O)OCOCCSC(C)C 34a_200011212901_100000034017 [0,1,1,0,0,0|2,0,0]=4 1531 B13R0.88 CCCC(=O)OCSCCCC(=O)C 62a_100011215641_100000034017 [0,1,1,0,0,0|1,0,1]=4 1532 B13R0.88 CCCC(=O)OCSCCCC(C)C 62a_100011214892_100000034017 [0,1,1,0,0,0|1,0,0]=3 1533 B13R0.88 CCCC(=O)OCSCCCC(C)O 62a_200000718107_100000034017 [0,1,1,0,0,0|1,0,0]=3 1534 B13R0.88 CCCC(=O)OCSCCOC(C)C 62a_100000211751_100000034017 [0,1,1,0,0,0|2,0,0]=4 1535 B13R0.88 CCCC(=O)OCSCCSC(C)C 62a_100000730970_100000034017 [0,1,1,0,0,0|2,0,0]=4 1536 B13R0.88 CCCC(C)OCCCCCC(C)C 34a_100000764384_100000210682 [0,1,1,0,0,0|1,0,1]=4 1537 B13R0.88 CCCC(C)OCCCCCC(C)C 34a_100011995859_100000766640 [0,1,1,0,0,0|1,0,1]=4 1538 B13R0.88 CCCC(C)OCCCCCC(C)C 7a_100000764384_100000210682 [0,1,1,0,0,0|1,0,1]=4 1539 B13R0.88 CCCC(C)OCCCCCC(C)C 7a_100011995859_100000766640 [0,1,1,0,0,0|1,0,1]=4 1540 B13R0.88 CCNC(=O)CCCCCCC(C)C 11a_100015525214_100000040743 [0,1,1,0,0,0|2,0,0]=4 1541 B13R0.88 CCNC(=O)CCCCCCC(C)C 240690a_100015525214_100000040743 [0,1,1,0,0,0|2,0,0]=4 1542 B13R0.88 CCNC(=O)CCCCCCC(C)C 527a_100015525214_100000040743 [0,1,1,0,0,0|2,0,0]=4 1543 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100011290863_100015525214 [0,1,1,0,0,0|2,0,0]=4 1544 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100015525214_100011290863 [0,1,1,0,0,0|2,0,0]=4 1545 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100011290863_100015525214 [0,1,1,0,0,0|2,0,0]=4 1546 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100015525214_100011290863 [0,1,1,0,0,0|2,0,0]=4 1547 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100011290863_100015525214 [0,1,1,0,0,0|2,0,0]=4 1548 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100015525214_100011290863 [0,1,1,0,0,0|2,0,0]=4 1549 B13R0.88 CCOC(=O)OCSCCCC(C)C 62a_100011214892_100000075025 [0,1,1,0,0,0|2,0,0]=4 1550 B13R0.88 CCOC(=O)OCSCCCC(C)O 62a_200000718107_100000075025 [0,1,1,0,0,0|2,0,0]=4 1551 B13R0.88 COCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210968 [0,1,1,0,0,0|2,0,0]=4 1552 B13R0.88 COCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210968 [0,1,1,0,0,0|2,0,0]=4 1553 B13R0.88 COCC(=O)NCCCCCC(C)C 527a_100011290863_100000210968 [0,1,1,0,0,0|2,0,0]=4 1554 B13R0.88 CSCC(=O)NCCCCCC(C)C 1626a_100011290863_100000184570 [0,1,1,0,0,0|2,0,0]=4 1555 B13R0.88 CSCC(=O)NCCCCCC(C)C 240690a_100011290863_100000184570 [0,1,1,0,0,0|2,0,0]=4 1556 B13R0.88 CSCC(=O)NCCCCCC(C)C 527a_100011290863_100000184570 [0,1,1,0,0,0|2,0,0]=4 1557 B13R0.175 CCCC(=O)OCOC(C)CCCCl 34a_200000718107_100000034017 [0,1,1,0,0,0|2,0,0]=4 1558 B13R0.175 CCCC(=O)OCOC(C)COCC 34a_100000718985_100000034017 [0,1,1,0,0,0|2,0,0]=4 1559 B13R0.175 CCCCC(C)COCC(=O)CCC 7a_100011995851_100000747444 [0,1,1,0,0,0|2,0,0]=4 1560 B13R0.175 CCCCC(C)NCOC(=O)CCC 2230a_100000126638_100000034017 [0,1,1,0,0,0|1,0,0]=3 1561 B13R0.175 CCCCC(C)OCOC(=O)CCC 34a_100000687866_100000034017 [0,1,1,0,0,0|1,0,0]=3 1562 B13R0.175 CCCCC(C)SCOC(=O)CCC 62a_200011215066_100000034017 [0,1,1,0,0,0|1,0,0]=3 1563 B13R0.175 CCCCC(C)SCOC(=O)OCC 62a_200011215066_100000075025 [0,1,1,0,0,0|2,0,0]=4 1564 B13R0.175 CCCCN(C)CCNC(=O)CCC 1626a_200000754967_100000211992 [0,1,1,0,0,0|2,0,0]=4 1565 B13R0.175 CCCCN(C)CCNC(=O)CCC 240690a_200000754967_100000211992 [0,1,1,0,0,0|2,0,0]=4 1566 B13R0.175 CCCCN(C)CCNC(=O)CCC 527a_200000754967_100000211992 [0,1,1,0,0,0|2,0,0]=4 1567 B13R0.193 CCCC(=O)OCC(=O)CCCCO 1458a_100000695505_100000034017 [0,1,1,0,0,0|1,0,1]=4 1568 B13R0.193 CCCC(=O)OCC(=O)CCCOC 1458a_100000741012_100000034017 [0,1,1,0,0,0|1,0,1]=4 1569 B13R0.193 CCCC(=O)OCC(=O)CCCSC 1458a_100000173376_100000034017 [0,1,1,0,0,0|1,0,1]=4 1570 B13R0.193 CCCC(=O)OCC(=O)CCOCC 1458a_100000749530_100000034017 [0,1,1,0,0,0|1,0,1]=4 1571 B13R0.193 CCCC(=O)OCC(=O)CCSCC 1458a_100000230768_100000034017 [0,1,1,0,0,0|1,0,1]=4 1572 B13R0.193 CCCC(=O)OCN(C)CCCCO 2230a_100000717598_100000034017 [0,1,1,0,0,0|2,0,0]=4 1573 B13R0.193 CCCC(=O)OCN(C)CCCCO 269982a_100000717598_100000034017 [0,1,1,0,0,0|2,0,0]=4 1574 B13R0.193 CCCC(=O)OCN(C)CCCOC 2230a_100000224831_100000034017 [0,1,1,0,0,0|2,0,0]=4 1575 B13R0.193 CCCC(=O)OCN(C)CCCOC 269982a_100000224831_100000034017 [0,1,1,0,0,0|2,0,0]=4 1576 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [0,1,1,0,0,0|0,0,1]=3 1577 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [0,1,1,0,0,0|1,0,0]=3 1578 B13R0.193 CCCCCC(C)CCC(=O)CCF 1458a_100000034243_100011217306 [0,1,1,0,0,0|2,0,0]=4 1579 B13R0.193 CCCCCC(C)CCC(=O)CCO 1458a_100000034243_100000211926 [0,1,1,0,0,0|2,0,0]=4 1580 B13R0.193 CCCCCC(C)CCC(=O)NCC 11a_100015525214_100000034243 [0,1,1,0,0,0|2,0,0]=4 1581 B13R0.193 CCCCCC(C)CCC(=O)NCC 240690a_100015525214_100000034243 [0,1,1,0,0,0|2,0,0]=4 1582 B13R0.193 CCCCCC(C)CCC(=O)NCC 527a_100015525214_100000034243 [0,1,1,0,0,0|2,0,0]=4 1583 B13R0.193 CCCCCC(C)NCC(=O)CCC 2230a_100000211957_100000747444 [0,1,1,0,0,0|2,0,0]=4 1584 B13R0.193 CCCCCC(C)OCC(=O)CCC 7a_100011215632_100000747444 [0,1,1,0,0,0|2,0,0]=4 1585 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_100000747444_200011218191 [0,1,1,0,0,0|2,0,0]=4 1586 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_200011218191_100000747444 [0,1,1,0,0,0|2,0,0]=4 1587 B13R0.193 CCCCCN(C)CCC(=O)CCC 1458a_100016987678_100000210303 [0,1,1,0,0,0|2,0,0]=4 1588 B13R0.193 CCCCCN(C)COC(=O)CCC 2230a_100000223495_100000034017 [0,1,1,0,0,0|1,0,0]=3 1589 B13R0.193 CCCCCN(C)COC(=O)CCC 269982a_100000223495_100000034017 [0,1,1,0,0,0|1,0,0]=3 1590 B13R0.193 CCCOCC(=O)COC(=O)CCC 1458a_100000745993_100000034017 [0,1,1,0,0,0|1,0,1]=4 1591 B13R0.193 CCCSCC(=O)COC(=O)CCC 1458a_100000217233_100000034017 [0,1,1,0,0,0|1,0,1]=4 1592 B13R0.275 CCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210614 [0,1,1,0,0,0|2,0,0]=4 1593 B13R0.275 CCCCCCCC(C)C(=O)CCC 1458a_100000211992_200011218727 [0,1,1,0,0,0|1,0,0]=3 1594 B13R0.275 CCCCCCCC(C)C(=O)CCO 1458a_100011216618_200011218727 [0,1,1,0,0,0|2,0,0]=4 1595 B13R0.275 CCCCCCCC(C)C(=O)COC 1458a_100000210968_200011218727 [0,1,1,0,0,0|2,0,0]=4 1596 B13R0.275 CCCCCCCC(C)C(=O)CSC 1458a_100000184570_200011218727 [0,1,1,0,0,0|2,0,0]=4 1597 B13R0.275 CCCCCCCN(C)C(=O)CCC 11a_100000228206_100000211992 [0,1,1,0,0,0|1,0,0]=3 1598 B13R0.275 CCCCCCCN(C)C(=O)CCC 1626a_100000228206_100000211992 [0,1,1,0,0,0|1,0,0]=3 1599 B13R0.275 CCCCCCCN(C)C(=O)CCC 240690a_100000228206_100000211992 [0,1,1,0,0,0|1,0,0]=3 1600 B13R0.275 CCCCCCCN(C)C(=O)CCC 527a_100000228206_100000211992 [0,1,1,0,0,0|1,0,0]=3 1601 B13R0.275 CCCCCCCN(C)C(=O)CCO 240690a_100000228206_100011216618 [0,1,1,0,0,0|2,0,0]=4 1602 B13R0.275 CCCCCCCN(C)C(=O)COC 11a_100000228206_100000210968 [0,1,1,0,0,0|2,0,0]=4 1603 B13R0.275 CCCCCCCN(C)C(=O)COC 1626a_100000228206_100000210968 [0,1,1,0,0,0|2,0,0]=4 1604 B13R0.275 CCCCCCCN(C)C(=O)COC 240690a_100000228206_100000210968 [0,1,1,0,0,0|2,0,0]=4 1605 B13R0.275 CCCCCCCN(C)C(=O)COC 527a_100000228206_100000210968 [0,1,1,0,0,0|2,0,0]=4 1606 B13R0.275 CCCCCCCN(C)C(=O)CSC 11a_100000228206_100000184570 [0,1,1,0,0,0|2,0,0]=4 1607 B13R0.275 CCCCCCCN(C)C(=O)CSC 1626a_100000228206_100000184570 [0,1,1,0,0,0|2,0,0]=4 1608 B13R0.275 CCCCCCCN(C)C(=O)CSC 240690a_100000228206_100000184570 [0,1,1,0,0,0|2,0,0]=4 1609 B13R0.275 CCCCCCCN(C)C(=O)CSC 527a_100000228206_100000184570 [0,1,1,0,0,0|2,0,0]=4 1610 B13R0.275 CCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000228206 [0,1,1,0,0,0|2,0,0]=4 1611 B13R0.275 CCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000228206 [0,1,1,0,0,0|2,0,0]=4 1612 B13R0.282 C#CC(CCC)OCCCCCCC 34a_200011217317_100000210614 [0,1,1,0,0,0|1,0,1]=4 1613 B13R0.282 C#CC(CCC)OCCCCCCC 7a_200011217317_100000210614 [0,1,1,0,0,0|1,0,1]=4 1614 B13R0.282 C=CC(CCC)OCCCCCCC 34a_100011216692_100000210614 [0,1,1,0,0,0|1,0,1]=4 1615 B13R0.282 C=CC(CCC)OCCCCCCC 7a_100011216692_100000210614 [0,1,1,0,0,0|1,0,1]=4 1616 B13R0.282 CCCCCCCOC(C#N)CCC 34a_100000686963_100000210614 [0,1,1,0,0,0|1,0,1]=4 1617 B13R0.282 CCCCCCCOC(C#N)CCC 7a_100000686963_100000210614 [0,1,1,0,0,0|1,0,1]=4 1618 B13R0.282 CCCCCCCOC(CC)CCC 34a_100000687864_100000210614 [0,1,1,0,0,0|1,0,1]=4 1619 B13R0.282 CCCCCCCOC(CC)CCC 7a_100000210272_100011219200 [0,1,1,0,0,0|1,0,1]=4 1620 B13R0.282 CCCCCCCOC(CC)CCC 7a_100000687864_100000210614 [0,1,1,0,0,0|1,0,1]=4 1621 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [0,1,1,0,0,0|1,0,1]=4 1622 B13R0.330 CCCCCCC(C)NC(=O)CCC 11a_100000210919_100000211992 [0,1,1,0,0,0|1,0,0]=3 1623 B13R0.330 CCCCCCC(C)NC(=O)CCC 1626a_100000210919_100000211992 [0,1,1,0,0,0|1,0,0]=3 1624 B13R0.330 CCCCCCC(C)NC(=O)CCC 240690a_100000210919_100000211992 [0,1,1,0,0,0|1,0,0]=3 1625 B13R0.330 CCCCCCC(C)NC(=O)CCC 527a_100000210919_100000211992 [0,1,1,0,0,0|1,0,0]=3 1626 B13R0.330 CCCCCCC(C)NC(=O)CCO 240690a_100000210919_100011216618 [0,1,1,0,0,0|2,0,0]=4 1627 B13R0.330 CCCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230341 [0,1,1,0,0,0|2,0,0]=4 1628 B13R0.330 CCCCCCC(C)NC(=O)CNC 34a_100102657272_100000230341 [0,1,1,0,0,0|2,0,0]=4 1629 B13R0.330 CCCCCCC(C)NC(=O)CNC 7a_106832991635_100000230341 [0,1,1,0,0,0|2,0,0]=4 1630 B13R0.330 CCCCCCC(C)NC(=O)COC 11a_100000210919_100000210968 [0,1,1,0,0,0|2,0,0]=4 1631 B13R0.330 CCCCCCC(C)NC(=O)COC 1626a_100000210919_100000210968 [0,1,1,0,0,0|2,0,0]=4 1632 B13R0.330 CCCCCCC(C)NC(=O)COC 240690a_100000210919_100000210968 [0,1,1,0,0,0|2,0,0]=4 1633 B13R0.330 CCCCCCC(C)NC(=O)COC 34a_100138415774_100000230341 [0,1,1,0,0,0|2,0,0]=4 1634 B13R0.330 CCCCCCC(C)NC(=O)COC 527a_100000210919_100000210968 [0,1,1,0,0,0|2,0,0]=4 1635 B13R0.330 CCCCCCC(C)NC(=O)CSC 11a_100000210919_100000184570 [0,1,1,0,0,0|2,0,0]=4 1636 B13R0.330 CCCCCCC(C)NC(=O)CSC 1626a_100000210919_100000184570 [0,1,1,0,0,0|2,0,0]=4 1637 B13R0.330 CCCCCCC(C)NC(=O)CSC 240690a_100000210919_100000184570 [0,1,1,0,0,0|2,0,0]=4 1638 B13R0.330 CCCCCCC(C)NC(=O)CSC 527a_100000210919_100000184570 [0,1,1,0,0,0|2,0,0]=4 1639 B13R0.330 CCCCCCC(C)NC(=O)CSC 62a_100000230341_200000210301 [0,1,1,0,0,0|2,0,0]=4 1640 B13R0.330 CCCCCCC(C)NC(=O)CSC 62a_200000210301_100000230341 [0,1,1,0,0,0|2,0,0]=4 1641 B13R0.330 CCCCCCC(C)NC(=O)CS[13CH3] 62a_100000230341_200025704644 [0,1,1,0,0,0|2,0,0]=4 1642 B13R0.330 CCCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230341 [0,1,1,0,0,0|2,0,0]=4 1643 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100000210919_100015525214 [0,1,1,0,0,0|2,0,0]=4 1644 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100015525214_100000210919 [0,1,1,0,0,0|2,0,0]=4 1645 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100000210919_100015525214 [0,1,1,0,0,0|2,0,0]=4 1646 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100015525214_100000210919 [0,1,1,0,0,0|2,0,0]=4 1647 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100000210919_100015525214 [0,1,1,0,0,0|2,0,0]=4 1648 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100015525214_100000210919 [0,1,1,0,0,0|2,0,0]=4 1649 B13R0.330 CCCCCCC(C)OC(C)CCC 34a_100000210265_100000766640 [0,1,1,0,0,0|1,0,1]=4 1650 B13R0.330 CCCCCCC(C)OC(C)CCC 34a_100000764384_100011215978 [0,1,1,0,0,0|1,0,1]=4 1651 B13R0.330 CCCCCCC(C)OC(C)CCC 7a_100000210265_100000766640 [0,1,1,0,0,0|1,0,1]=4 1652 B13R0.330 CCCCCCC(C)OC(C)CCC 7a_100000764384_100011215978 [0,1,1,0,0,0|1,0,1]=4 1653 B13R0.330 CCCCCCN(C)CC(=O)CCC 2230a_106256046315_100000747444 [0,1,1,0,0,0|2,0,0]=4 1654 B13R0.330 CCCCCCN(C)CC(=O)CCC 269982a_106256046315_100000747444 [0,1,1,0,0,0|2,0,0]=4 1655 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210326 [0,1,1,0,0,0|2,0,0]=4 1656 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000210326_100000036008 [0,1,1,0,0,0|2,0,0]=4 1657 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [0,1,1,0,0,0|1,0,1]=4 1658 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100000210554_100000760002 [0,1,1,0,0,0|2,0,0]=4 1659 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100011219782_100000210624 [0,1,1,0,0,0|2,0,0]=4 1660 B13R0.335 CC(C)CC(=O)NCCCCCCO 240690a_100000686447_100000210554 [0,1,1,0,0,0|2,0,0]=4 1661 B13R0.335 CC(C)CC(=O)NCCCCCCO 527a_100000686447_100000210554 [0,1,1,0,0,0|2,0,0]=4 1662 B13R0.335 CC(O)CC(=O)CCCCCCCO 1458a_100011219782_100011218427 [0,1,1,0,0,0|2,0,0]=4 1663 B13R0.335 CCCCCCC=CC(=O)CC(C)C 1458a_200015324643_100000210624 [0,1,1,0,0,0|1,0,1]=4 1664 B13R0.335 CCCCCCC=CC(=O)CC(C)O 1458a_200015324643_100011218427 [0,1,1,0,0,0|1,0,1]=4 1665 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [0,1,1,0,0,0|1,0,0]=3 1666 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [0,1,1,0,0,0|1,0,0]=3 1667 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [0,1,1,0,0,0|1,0,0]=3 1668 B13R0.335 CCCCCCCCC(=O)CC(F)F 1458a_100000210188_100011934356 [0,1,1,0,0,0|2,0,0]=4 1669 B13R0.335 CCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210759 [0,1,1,0,0,0|2,0,0]=4 1670 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [0,1,1,0,0,0|1,0,0]=3 1671 B13R0.335 CCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210759 [0,1,1,0,0,0|2,0,0]=4 1672 B13R0.335 CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210188 [0,1,1,0,0,0|2,0,0]=4 1673 B13R0.335 CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210188 [0,1,1,0,0,0|2,0,0]=4 1674 B13R0.335 CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210188 [0,1,1,0,0,0|2,0,0]=4 1675 B13R0.335 CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210188 [0,1,1,0,0,0|2,0,0]=4 1676 B13R0.335 CCCCCCCNC(=O)CC(C)C 11a_100000229938_100000210554 [0,1,1,0,0,0|1,0,0]=3 1677 B13R0.335 CCCCCCCNC(=O)CC(C)C 1626a_100000229938_100000210554 [0,1,1,0,0,0|1,0,0]=3 1678 B13R0.335 CCCCCCCNC(=O)CC(C)C 240690a_100000229938_100000210554 [0,1,1,0,0,0|1,0,0]=3 1679 B13R0.335 CCCCCCCNC(=O)CC(C)C 527a_100000229938_100000210554 [0,1,1,0,0,0|1,0,0]=3 1680 B13R0.335 CCCCCCCNC(=O)CN(C)C 11a_100000229938_100000750896 [0,1,1,0,0,0|2,0,0]=4 1681 B13R0.335 CCCCCCCNC(=O)CN(C)C 240690a_100000229938_100000750896 [0,1,1,0,0,0|2,0,0]=4 1682 B13R0.335 CCCCCCCNC(=O)CN(C)C 527a_100000229938_100000750896 [0,1,1,0,0,0|2,0,0]=4 1683 B13R0.335 CCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229938_100011933948 [0,1,1,0,0,0|1,0,0]=3 1684 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 11a_100000229938_200159257847 [0,1,1,0,0,0|2,0,0]=4 1685 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 1626a_100000229938_200159257847 [0,1,1,0,0,0|2,0,0]=4 1686 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 240690a_100000229938_200159257847 [0,1,1,0,0,0|2,0,0]=4 1687 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 527a_100000229938_200159257847 [0,1,1,0,0,0|2,0,0]=4 1688 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100000229938_100138425928 [0,1,1,0,0,0|2,0,0]=4 1689 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229938 [0,1,1,0,0,0|2,0,0]=4 1690 B13R0.335 CCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229938 [0,1,1,0,0,0|2,0,0]=4 1691 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100000229938_100138425928 [0,1,1,0,0,0|2,0,0]=4 1692 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229938 [0,1,1,0,0,0|2,0,0]=4 1693 B13R0.335 CCCCCCCOC(C)CC(C)C 34a_100000210272_100000731052 [0,1,1,0,0,0|1,0,1]=4 1694 B13R0.335 CCCCCCCOC(C)CC(C)C 34a_100000211805_100000210614 [0,1,1,0,0,0|1,0,1]=4 1695 B13R0.335 CCCCCCCOC(C)CC(C)C 7a_100000210272_100000731052 [0,1,1,0,0,0|1,0,1]=4 1696 B13R0.335 CCCCCCCOC(C)CC(C)C 7a_100000211805_100000210614 [0,1,1,0,0,0|1,0,1]=4 1697 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210326 [0,1,1,0,0,0|2,0,0]=4 1698 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000210326_100000003507 [0,1,1,0,0,0|2,0,0]=4 1699 B13R0.335 CCCCOCCOC(=O)CC(=O)C 34a_100000210227_100000102702 [0,1,1,0,0,0|1,0,1]=4 1700 B13R0.335 CCCCSCCNC(=O)CC(C)C 11a_100025743550_100000210554 [0,1,1,0,0,0|2,0,0]=4 1701 B13R0.335 CCCCSCCNC(=O)CC(C)C 1626a_100025743550_100000210554 [0,1,1,0,0,0|2,0,0]=4 1702 B13R0.335 CCCCSCCNC(=O)CC(C)C 240690a_100025743550_100000210554 [0,1,1,0,0,0|2,0,0]=4 1703 B13R0.335 CCCCSCCNC(=O)CC(C)C 527a_100025743550_100000210554 [0,1,1,0,0,0|2,0,0]=4 1704 B13R0.335 CCCCSCCNC(=O)C[C@@H](C)O 240690a_100025743550_100011933948 [0,1,1,0,0,0|2,0,0]=4 1705 B13R0.335 CCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210210 [0,1,1,0,0,0|1,0,1]=4 1706 B13R0.335 CCCCSCCOC(=O)CC(=O)C 62a_100000210211_100000102702 [0,1,1,0,0,0|1,0,1]=4 1707 B13R0.335 CCCOCCCNC(=O)CC(C)C 1626a_100011217757_100000210554 [0,1,1,0,0,0|2,0,0]=4 1708 B13R0.335 CCCOCCCNC(=O)CC(C)C 240690a_100011217757_100000210554 [0,1,1,0,0,0|2,0,0]=4 1709 B13R0.335 CCCOCCCNC(=O)CC(C)C 527a_100011217757_100000210554 [0,1,1,0,0,0|2,0,0]=4 1710 B13R0.335 CCCOCCCNC(=O)C[C@@H](C)O 240690a_100011217757_100011933948 [0,1,1,0,0,0|2,0,0]=4 1711 B13R0.335 COCCCCCCC(=O)CC(C)C 1458a_100000210554_100011998445 [0,1,1,0,0,0|2,0,0]=4 1712 B13R0.335 COCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011998445 [0,1,1,0,0,0|2,0,0]=4 1713 B13R0.335 COCCCCCNC(=O)CC(C)C 11a_100000747528_100000210554 [0,1,1,0,0,0|2,0,0]=4 1714 B13R0.335 COCCCCCNC(=O)CC(C)C 1626a_100000747528_100000210554 [0,1,1,0,0,0|2,0,0]=4 1715 B13R0.335 COCCCCCNC(=O)CC(C)C 240690a_100000747528_100000210554 [0,1,1,0,0,0|2,0,0]=4 1716 B13R0.335 COCCCCCNC(=O)CC(C)C 527a_100000747528_100000210554 [0,1,1,0,0,0|2,0,0]=4 1717 B13R0.335 COCCCCCNC(=O)C[C@@H](C)O 240690a_100000747528_100011933948 [0,1,1,0,0,0|2,0,0]=4 1718 B13R0.335 C[C@@H](O)CC(=O)CCCCCCCO 1458a_100011933948_100000760002 [0,1,1,0,0,0|2,0,0]=4 1719 B13R0.335 C[C@@H](O)CC(=O)NCCCCCCO 240690a_100000686447_100011933948 [0,1,1,0,0,0|2,0,0]=4 1720 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011192722_100000760002 [0,1,1,0,0,0|2,0,0]=4 1721 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011219782_100000758301 [0,1,1,0,0,0|2,0,0]=4 1722 B13R0.340 CCC(C)C(=O)CCCCCCOC 1458a_100011192722_100011998445 [0,1,1,0,0,0|2,0,0]=4 1723 B13R0.340 CCC(C)C(=O)NCCCCCCO 240690a_100000686447_100011192722 [0,1,1,0,0,0|2,0,0]=4 1724 B13R0.340 CCC(C)C(=O)NCCCCCCO 527a_100000686447_100011192722 [0,1,1,0,0,0|2,0,0]=4 1725 B13R0.340 CCC(C)C(=O)NCCCCCOC 11a_100000747528_100011192722 [0,1,1,0,0,0|2,0,0]=4 1726 B13R0.340 CCC(C)C(=O)NCCCCCOC 1626a_100000747528_100011192722 [0,1,1,0,0,0|2,0,0]=4 1727 B13R0.340 CCC(C)C(=O)NCCCCCOC 240690a_100000747528_100011192722 [0,1,1,0,0,0|2,0,0]=4 1728 B13R0.340 CCC(C)C(=O)NCCCCCOC 527a_100000747528_100011192722 [0,1,1,0,0,0|2,0,0]=4 1729 B13R0.340 CCC(O)C(=O)CCCCCCCO 1458a_100011196387_100000760002 [0,1,1,0,0,0|2,0,0]=4 1730 B13R0.340 CCC(O)C(=O)CCCCCCOC 1458a_100011196387_100011998445 [0,1,1,0,0,0|2,0,0]=4 1731 B13R0.340 CCC(O)C(=O)NCCCCCCO 240690a_100000686447_100011196387 [0,1,1,0,0,0|2,0,0]=4 1732 B13R0.340 CCC(O)C(=O)NCCCCCOC 240690a_100000747528_100011196387 [0,1,1,0,0,0|2,0,0]=4 1733 B13R0.340 CCCCCCC=CC(=O)C(C)CC 1458a_200015324643_100000758301 [0,1,1,0,0,0|1,0,1]=4 1734 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100000210188_100000758301 [0,1,1,0,0,0|1,0,0]=3 1735 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210759 [0,1,1,0,0,0|1,0,0]=3 1736 B13R0.340 CCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210759 [0,1,1,0,0,0|2,0,0]=4 1737 B13R0.340 CCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210759 [0,1,1,0,0,0|2,0,0]=4 1738 B13R0.340 CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210759 [0,1,1,0,0,0|1,0,0]=3 1739 B13R0.340 CCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210759 [0,1,1,0,0,0|2,0,0]=4 1740 B13R0.340 CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210188 [0,1,1,0,0,0|2,0,0]=4 1741 B13R0.340 CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210188 [0,1,1,0,0,0|2,0,0]=4 1742 B13R0.340 CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210188 [0,1,1,0,0,0|2,0,0]=4 1743 B13R0.340 CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210188 [0,1,1,0,0,0|2,0,0]=4 1744 B13R0.340 CCCCCCCNC(=O)C(C)CC 11a_100000229938_100011192722 [0,1,1,0,0,0|1,0,0]=3 1745 B13R0.340 CCCCCCCNC(=O)C(C)CC 1626a_100000229938_100011192722 [0,1,1,0,0,0|1,0,0]=3 1746 B13R0.340 CCCCCCCNC(=O)C(C)CC 240690a_100000229938_100011192722 [0,1,1,0,0,0|1,0,0]=3 1747 B13R0.340 CCCCCCCNC(=O)C(C)CC 527a_100000229938_100011192722 [0,1,1,0,0,0|1,0,0]=3 1748 B13R0.340 CCCCCCCNC(=O)C(C)OC 11a_100000229938_100000743197 [0,1,1,0,0,0|2,0,0]=4 1749 B13R0.340 CCCCCCCNC(=O)C(C)OC 1626a_100000229938_100000743197 [0,1,1,0,0,0|2,0,0]=4 1750 B13R0.340 CCCCCCCNC(=O)C(C)OC 240690a_100000229938_100000743197 [0,1,1,0,0,0|2,0,0]=4 1751 B13R0.340 CCCCCCCNC(=O)C(C)OC 527a_100000229938_100000743197 [0,1,1,0,0,0|2,0,0]=4 1752 B13R0.340 CCCCCCCNC(=O)C(C)SC 11a_100000229938_100000149566 [0,1,1,0,0,0|2,0,0]=4 1753 B13R0.340 CCCCCCCNC(=O)C(C)SC 1626a_100000229938_100000149566 [0,1,1,0,0,0|2,0,0]=4 1754 B13R0.340 CCCCCCCNC(=O)C(C)SC 240690a_100000229938_100000149566 [0,1,1,0,0,0|2,0,0]=4 1755 B13R0.340 CCCCCCCNC(=O)C(C)SC 527a_100000229938_100000149566 [0,1,1,0,0,0|2,0,0]=4 1756 B13R0.340 CCCCCCCNC(=O)C(O)CC 240690a_100000229938_100011196387 [0,1,1,0,0,0|1,0,0]=3 1757 B13R0.340 CCCCCCCNC(=O)C(O)CO 240690a_100000229938_100011215603 [0,1,1,0,0,0|2,0,0]=4 1758 B13R0.340 CCCCCCCNC(=O)N(C)CC 2708a_100000229938_100000225621 [0,1,1,0,0,0|2,0,0]=4 1759 B13R0.340 CCCCCCCNC(=O)N(C)CC 273464a_100000229938_100000225621 [0,1,1,0,0,0|2,0,0]=4 1760 B13R0.340 CCCCCCCOC(C)C(C)CC 7a_100011215189_100000210614 [0,1,1,0,0,0|1,0,1]=4 1761 B13R0.340 CCCCSCCNC(=O)C(C)CC 11a_100025743550_100011192722 [0,1,1,0,0,0|2,0,0]=4 1762 B13R0.340 CCCCSCCNC(=O)C(C)CC 1626a_100025743550_100011192722 [0,1,1,0,0,0|2,0,0]=4 1763 B13R0.340 CCCCSCCNC(=O)C(C)CC 240690a_100025743550_100011192722 [0,1,1,0,0,0|2,0,0]=4 1764 B13R0.340 CCCCSCCNC(=O)C(C)CC 527a_100025743550_100011192722 [0,1,1,0,0,0|2,0,0]=4 1765 B13R0.340 CCCCSCCNC(=O)C(O)CC 240690a_100025743550_100011196387 [0,1,1,0,0,0|2,0,0]=4 1766 B13R0.340 CCCOCCCNC(=O)C(C)CC 1626a_100011217757_100011192722 [0,1,1,0,0,0|2,0,0]=4 1767 B13R0.340 CCCOCCCNC(=O)C(C)CC 240690a_100011217757_100011192722 [0,1,1,0,0,0|2,0,0]=4 1768 B13R0.340 CCCOCCCNC(=O)C(C)CC 527a_100011217757_100011192722 [0,1,1,0,0,0|2,0,0]=4 1769 B13R0.340 CCCOCCCNC(=O)C(O)CC 240690a_100011217757_100011196387 [0,1,1,0,0,0|2,0,0]=4 1770 B13R0.367 CCCC(=O)COCCC(C)CCC 7a_100011217855_100000747444 [0,1,1,0,0,0|2,0,0]=4 1771 B13R0.367 CCCC(=O)CSCOC(=O)CCC 62a_100000747444_100000034017 [0,1,1,0,0,0|1,0,1]=4 1772 B13R0.367 CCCC(=O)OCNCC(O)COC 2230a_100000756049_100000034017 [0,1,1,0,0,0|2,0,0]=4 1773 B13R0.367 CCCC(=O)OCNCC(O)COC 34a_100000756049_100000034017 [0,1,1,0,0,0|2,0,0]=4 1774 B13R0.367 CCCC(=O)OCOCC(C)CCC 34a_100000688023_100000034017 [0,1,1,0,0,0|1,0,0]=3 1775 B13R0.367 CCCC(=O)OCOCC(C)CCN 34a_106354213184_100000034017 [0,1,1,0,0,0|2,0,0]=4 1776 B13R0.367 CCCC(=O)OCOCC(N)COC 34a_100000724102_100000034017 [0,1,1,0,0,0|2,0,0]=4 1777 B13R0.367 CCCC(=O)OCOC[C@@H](N)CCC 34a_100000732646_100000034017 [0,1,1,0,0,0|1,0,0]=3 1778 B13R0.367 CCCC(=O)OCSCC(C)CCC 62a_100011216630_100000034017 [0,1,1,0,0,0|1,0,0]=3 1779 B13R0.367 CCCC(=O)OCSCC(O)COC 62a_100011215053_100000034017 [0,1,1,0,0,0|2,0,0]=4 1780 B13R0.367 CCCC(C)CCCOC(C)CCC 34a_100011713154_100000766640 [0,1,1,0,0,0|1,0,1]=4 1781 B13R0.367 CCCC(C)CCCOC(C)CCC 7a_100011713154_100000766640 [0,1,1,0,0,0|1,0,1]=4 1782 B13R0.367 CCCC(C)CSCOC(=O)OCC 62a_100011216630_100000075025 [0,1,1,0,0,0|2,0,0]=4 1783 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 270084a_100000229938_100000211391 [0,1,1,0,0,0|2,0,0]=4 1784 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 274078a_100000229938_100000211391 [0,1,1,0,0,0|2,0,0]=4 1785 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 40a_100000229938_100000054278 [0,1,1,0,0,0|2,0,0]=4 1786 B13R0.1338 CCCCCCCOC(C)(C)CCC 7a_100000748436_100000210614 [0,1,1,0,0,0|1,0,1]=4 1787 B13R0.62 CCCCCCCN(CC)CC(=O)N 2230a_100000228213_100000747473 [0,1,1,0,0,0|2,0,0]=4 1788 B13R0.62 CCCCCCCN(CC)CC(=O)N 269982a_100000228213_100000187820 [0,1,1,0,0,0|2,0,0]=4 1789 B13R0.62 CCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210614 [0,1,1,0,0,0|1,0,0]=3 1790 B13R0.62 CCCCCCCN(CC)CC(=O)[O-] 269982a_100000228213_100020667443 [0,1,1,0,0,0|1,0,1]=4 1791 B13R0.62 CCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210614 [0,1,1,0,0,0|1,0,1]=4 1792 B13R0.62 CCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210757 [0,1,1,0,0,0|1,0,0]=3 1793 B13R0.62 CCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210757 [0,1,1,0,0,0|1,0,0]=3 1794 B13R0.62 CCCCOCCN(CC)CC(=O)O 269956a_100000746405_100000743108 [0,1,1,0,0,0|2,0,0]=4 1795 B13R0.62 CCCCOCN[C@H](CC)CC(=O)O 269956a_100016995926_100011995733 [0,1,1,0,0,0|2,0,0]=4 1796 B13R0.62 CCCCOCN[C@H](CO)CC(=O)O 269956a_100009816507_100011995733 [0,1,1,0,0,0|2,0,0]=4 1797 B13R0.62 CCCOCCN[C@H](CC)CC(=O)O 269956a_100016995926_100011215938 [0,1,1,0,0,0|2,0,0]=4 1798 B13R0.62 CCCOCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011215938 [0,1,1,0,0,0|2,0,0]=4 1799 B13R0.62 CCN(CCCCCCF)CC(=O)O 269956a_100000746405_100015922095 [0,1,1,0,0,0|2,0,0]=4 1800 B13R0.62 CCN(CCCCCCO)CC(=O)O 269956a_100000746405_100000766143 [0,1,1,0,0,0|2,0,0]=4 1801 B13R0.62 CCOCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100012232248 [0,1,1,0,0,0|2,0,0]=4 1802 B13R0.62 CCOCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100012232248 [0,1,1,0,0,0|2,0,0]=4 1803 B13R0.62 CC[C@H](CC(=O)O)NCCCCCF 269956a_100016995926_100000729378 [0,1,1,0,0,0|2,0,0]=4 1804 B13R0.62 CC[C@H](CC(=O)O)NCCCCCO 269956a_100016995926_100000746330 [0,1,1,0,0,0|2,0,0]=4 1805 B13R0.62 CC[C@H](CC(=O)O)NCCCCOC 269956a_100016995926_100000730899 [0,1,1,0,0,0|2,0,0]=4 1806 B13R0.62 COCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000730899 [0,1,1,0,0,0|2,0,0]=4 1807 B13R0.62 O=C(O)C[C@@H](CO)NCCCCCF 269956a_100009816507_100000729378 [0,1,1,0,0,0|2,0,0]=4 1808 B13R0.62 O=C(O)C[C@@H](CO)NCCCCCO 269956a_100009816507_100000746330 [0,1,1,0,0,0|2,0,0]=4 1809 B13R0.115 CCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011215066 [0,1,1,0,0,0|2,0,0]=4 1810 B13R0.178 CC(C)CCCCCN(C)CC(=O)N 2230a_100000739694_100000210682 [0,1,1,0,0,0|2,0,0]=4 1811 B13R0.178 CC(C)CCCCCN(C)CC(=O)O 269956a_100000746989_100000210682 [0,1,1,0,0,0|1,0,0]=3 1812 B13R0.178 CC(C)CCCNCC(O)CC(=O)O 269956a_100011218706_100011214892 [0,1,1,0,0,0|2,0,0]=4 1813 B13R0.178 CC(O)CCCNCC(O)CC(=O)O 269956a_100011218706_200000718107 [0,1,1,0,0,0|2,0,0]=4 1814 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210614 [0,1,1,0,0,0|1,0,1]=4 1815 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211969_100000747449 [0,1,1,0,0,0|1,0,1]=4 1816 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [0,1,1,0,0,0|2,0,0]=4 1817 B13R0.274 CCCCCCCC(O)CC(=O)CF 1458a_200011667753_100015361967 [0,1,1,0,0,0|2,0,0]=4 1818 B13R0.274 CCCCCCCC(O)CC(=O)NC 1626a_100102657272_200011667753 [0,1,1,0,0,0|2,0,0]=4 1819 B13R0.274 CCCCCCCC(O)CC(=O)NC 240690a_100102657272_200011667753 [0,1,1,0,0,0|2,0,0]=4 1820 B13R0.274 CCCCCCCN(C)CC(=O)CC 269982a_100000228206_100000747405 [0,1,1,0,0,0|2,0,0]=4 1821 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210681 [0,1,1,0,0,0|2,0,0]=4 1822 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000228206_100000183359 [0,1,1,0,0,0|2,0,0]=4 1823 B13R0.274 CCCCCCCN(C)CC(=O)NC 269982a_100000228206_100000183359 [0,1,1,0,0,0|2,0,0]=4 1824 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [0,1,1,0,0,0|1,0,0]=3 1825 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [0,1,1,0,0,0|1,0,0]=3 1826 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [0,1,1,0,0,0|1,0,0]=3 1827 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [0,1,1,0,0,0|1,0,0]=3 1828 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [0,1,1,0,0,0|1,0,0]=3 1829 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [0,1,1,0,0,0|1,0,0]=3 1830 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [0,1,1,0,0,0|1,0,0]=3 1831 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [0,1,1,0,0,0|1,0,0]=3 1832 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 34a_100000210253_100000754131 [0,1,1,0,0,0|2,0,0]=4 1833 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 7a_100000210253_100000754131 [0,1,1,0,0,0|2,0,0]=4 1834 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000210326_100000754131 [0,1,1,0,0,0|2,0,0]=4 1835 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210326 [0,1,1,0,0,0|2,0,0]=4 1836 B13R0.274 CCCCOCCN(C)CC(=O)OC 2230a_100000198492_100000743108 [0,1,1,0,0,0|2,0,0]=4 1837 B13R0.274 CCCCOCSC(C)CC(=O)OC 62a_100009817358_100011995733 [0,1,1,0,0,0|2,0,0]=4 1838 B13R0.274 CCCCOCSC(C)CC(=O)OC 62a_100011995733_100009817358 [0,1,1,0,0,0|2,0,0]=4 1839 B13R0.274 CCCOCCNC(C)CC(=O)OC 2230a_100161115042_100009817358 [0,1,1,0,0,0|2,0,0]=4 1840 B13R0.274 CCCOCCNC(C)CC(=O)OC 34a_100161115042_100009817358 [0,1,1,0,0,0|2,0,0]=4 1841 B13R0.274 CCCOCCOC(C)CC(=O)OC 34a_100000752267_100009817358 [0,1,1,0,0,0|2,0,0]=4 1842 B13R0.274 CCCOCCOC(C)CC(=O)OC 7a_100000752267_100009817358 [0,1,1,0,0,0|2,0,0]=4 1843 B13R0.274 CCCOCCSC(C)CC(=O)OC 62a_100009817358_100011215938 [0,1,1,0,0,0|2,0,0]=4 1844 B13R0.274 CCCOCCSC(C)CC(=O)OC 62a_100011215938_100009817358 [0,1,1,0,0,0|2,0,0]=4 1845 B13R0.274 CCCSCCNC(C)CC(=O)OC 2230a_100020603323_100009817358 [0,1,1,0,0,0|2,0,0]=4 1846 B13R0.274 CCCSCCOC(C)CC(=O)OC 34a_200000230433_100009817358 [0,1,1,0,0,0|2,0,0]=4 1847 B13R0.274 CCCSCCOC(C)CC(=O)OC 7a_200000230433_100009817358 [0,1,1,0,0,0|2,0,0]=4 1848 B13R0.274 CCOCCCNC(C)CC(=O)OC 2230a_100000210961_100009817358 [0,1,1,0,0,0|2,0,0]=4 1849 B13R0.274 CCOCCCNC(C)CC(=O)OC 34a_100000210961_100009817358 [0,1,1,0,0,0|2,0,0]=4 1850 B13R0.274 CCOCCCOC(C)CC(=O)OC 34a_100000757476_100009817358 [0,1,1,0,0,0|2,0,0]=4 1851 B13R0.274 CCOCCCOC(C)CC(=O)OC 7a_100000757476_100009817358 [0,1,1,0,0,0|2,0,0]=4 1852 B13R0.274 CCOCCCSC(C)CC(=O)OC 62a_100009817358_100012232248 [0,1,1,0,0,0|2,0,0]=4 1853 B13R0.274 CCOCCCSC(C)CC(=O)OC 62a_100012232248_100009817358 [0,1,1,0,0,0|2,0,0]=4 1854 B13R0.274 CCSCCCOC(C)CC(=O)OC 34a_100011216438_100009817358 [0,1,1,0,0,0|2,0,0]=4 1855 B13R0.274 CCSCCCOC(C)CC(=O)OC 7a_100011216438_100009817358 [0,1,1,0,0,0|2,0,0]=4 1856 B13R0.274 COC(=O)CC(C)NCCCCCO 2230a_100000762737_100009817358 [0,1,1,0,0,0|2,0,0]=4 1857 B13R0.274 COC(=O)CC(C)NCCCCCO 34a_100000762737_100009817358 [0,1,1,0,0,0|2,0,0]=4 1858 B13R0.274 COC(=O)CC(C)OCCCCCBr 34a_100000746331_100009817358 [0,1,1,0,0,0|2,0,0]=4 1859 B13R0.274 COC(=O)CC(C)OCCCCCBr 7a_100000746331_100009817358 [0,1,1,0,0,0|2,0,0]=4 1860 B13R0.274 COC(=O)CC(C)OCCCCCCl 34a_100000746330_100009817358 [0,1,1,0,0,0|2,0,0]=4 1861 B13R0.274 COC(=O)CC(C)OCCCCCCl 7a_100000746330_100009817358 [0,1,1,0,0,0|2,0,0]=4 1862 B13R0.274 COC(=O)CC(C)OCCCCCI 34a_200012148887_100009817358 [0,1,1,0,0,0|2,0,0]=4 1863 B13R0.274 COC(=O)CC(C)OCCCCCI 7a_200012148887_100009817358 [0,1,1,0,0,0|2,0,0]=4 1864 B13R0.274 COC(=O)CC(C)OCCCCCN 34a_100000762737_100009817358 [0,1,1,0,0,0|2,0,0]=4 1865 B13R0.274 COC(=O)CC(C)OCCCCSC 34a_100011217163_100009817358 [0,1,1,0,0,0|2,0,0]=4 1866 B13R0.274 COC(=O)CC(C)OCCCCSC 7a_100011217163_100009817358 [0,1,1,0,0,0|2,0,0]=4 1867 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100000729378_100009817358 [0,1,1,0,0,0|2,0,0]=4 1868 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100009817358_100000729378 [0,1,1,0,0,0|2,0,0]=4 1869 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100000746330_100009817358 [0,1,1,0,0,0|2,0,0]=4 1870 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100009817358_100000746330 [0,1,1,0,0,0|2,0,0]=4 1871 B13R0.274 COC(=O)CN(C)CCCCCCF 2230a_100000198492_100015922095 [0,1,1,0,0,0|2,0,0]=4 1872 B13R0.274 COC(=O)CN(C)CCCCCCO 2230a_100000198492_100000766143 [0,1,1,0,0,0|2,0,0]=4 1873 B13R0.274 COCCCCOC(C)CC(=O)OC 34a_100000740925_100009817358 [0,1,1,0,0,0|2,0,0]=4 1874 B13R0.274 COCCCCSC(C)CC(=O)OC 62a_100000730899_100009817358 [0,1,1,0,0,0|2,0,0]=4 1875 B13R0.274 COCCCCSC(C)CC(=O)OC 62a_100009817358_100000730899 [0,1,1,0,0,0|2,0,0]=4 1876 B13R0.332 CCCC(C)CNCC(O)CC(=O)O 269956a_100011218706_100011216630 [0,1,1,0,0,0|2,0,0]=4 1877 B13R0.333 CCCCCC(=O)CN(C)CC(=O)O 269956a_100000746989_200012276598 [0,1,1,0,0,0|1,0,1]=4 1878 B13R0.337 CC(C(=O)O)N(C)CCCCCCF 269956a_100000749554_100015922095 [0,1,1,0,0,0|2,0,0]=4 1879 B13R0.337 CC(C(=O)O)N(C)CCCCCCO 269956a_100000749554_100000766143 [0,1,1,0,0,0|2,0,0]=4 1880 B13R0.337 CCCCCCCN(C)C(C)C(=O)C 2230a_100000228206_100009814033 [0,1,1,0,0,0|2,0,0]=4 1881 B13R0.337 CCCCCCCN(C)C(C)C(=O)C 269982a_100000228206_100009814033 [0,1,1,0,0,0|2,0,0]=4 1882 B13R0.337 CCCCCCCN(C)C(C)C(=O)N 2230a_100000228206_100000702099 [0,1,1,0,0,0|2,0,0]=4 1883 B13R0.337 CCCCCCCN(C)C(C)C(=O)N 269982a_100000228206_100000184083 [0,1,1,0,0,0|2,0,0]=4 1884 B13R0.337 CCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210614 [0,1,1,0,0,0|1,0,0]=3 1885 B13R0.337 CCCCCCCN(C)C(F)C(=O)N 2230a_100000228206_100009813875 [0,1,1,0,0,0|2,0,0]=4 1886 B13R0.337 CCCCCCCN(C)C(F)C(=O)N 269982a_100000228206_100009813875 [0,1,1,0,0,0|2,0,0]=4 1887 B13R0.337 CCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210314 [0,1,1,0,0,0|2,0,0]=4 1888 B13R0.337 CCCCOCCN(C)C(C)C(=O)O 269956a_100000749554_100000743108 [0,1,1,0,0,0|2,0,0]=4 1889 B13R0.438 CCCCCCC(C)N(C)CC(=O)N 2230a_100000739694_100011215978 [0,1,1,0,0,0|2,0,0]=4 1890 B13R0.438 CCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100000210826 [0,1,1,0,0,0|2,0,0]=4 1891 B13R0.438 CCCCCCC(C)N(C)CC(=O)O 269956a_100000746989_100011215978 [0,1,1,0,0,0|1,0,0]=3 1892 B13R0.712 CC(C)(CC(=O)O)NCCCCCF 269956a_100000755897_100000729378 [0,1,1,0,0,0|2,0,0]=4 1893 B13R0.712 CC(C)(CC(=O)O)NCCCCCO 269956a_100000755897_100000746330 [0,1,1,0,0,0|2,0,0]=4 1894 B13R0.712 CCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210314 [0,1,1,0,0,0|2,0,0]=4 1895 B13R0.712 CCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210757 [0,1,1,0,0,0|1,0,0]=3 1896 B13R0.712 CCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210314 [0,1,1,0,0,0|2,0,0]=4 1897 B13R0.712 CCCCOCNC(C)(C)CC(=O)O 269956a_100000755897_100011995733 [0,1,1,0,0,0|2,0,0]=4 1898 B13R0.712 CCCOCCNC(C)(C)CC(=O)O 269956a_100000755897_100011215938 [0,1,1,0,0,0|2,0,0]=4 1899 B13R0.712 CCOCCCNC(C)(C)CC(=O)O 269956a_100000755897_100012232248 [0,1,1,0,0,0|2,0,0]=4 1900 B13R0.712 COCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000730899 [0,1,1,0,0,0|2,0,0]=4 1901 B13R0.58 CCCCCCC(CC)OC(C)(C)C 34a_100011215785_100000210625 [0,1,1,0,0,0|1,0,1]=4 1902 B13R0.155 CCCCCCC(CCC)OC(C)C 34a_200011215193_100000210206 [0,1,1,0,0,0|1,0,1]=4 1903 B13R0.155 CCCCCCC(CCC)OC(C)C 7a_200011215193_100000210206 [0,1,1,0,0,0|1,0,1]=4 1904 B13R0.187 CCCCCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210326 [0,1,1,0,0,0|1,0,1]=4 1905 B13R0.287 C#CC(C)OC(CC)CCCCCC 34a_100011215785_200000035995 [0,1,1,0,0,0|1,0,1]=4 1906 B13R0.287 CCCCCCC(CC(=O)OC)OC 7a_100000076500_200000210301 [0,1,1,0,0,0|2,0,0]=4 1907 B13R0.287 CCCCCCC(CC(=O)OC)O[13CH3] 7a_100000076500_200025704644 [0,1,1,0,0,0|2,0,0]=4 1908 B13R0.287 CCCCCCC(CC)OC(C)C#N 7a_100011215785_100000703298 [0,1,1,0,0,0|1,0,1]=4 1909 B13R0.287 CCCCCCC(CC)OC(C)CC 34a_100011215785_100011215416 [0,1,1,0,0,0|1,0,1]=4 1910 B13R0.287 CCCCCCC(CC)OC(C)CC 7a_100011215785_100000758301 [0,1,1,0,0,0|1,0,1]=4 1911 B13R0.287 CCCCCCC(CC)OC(C)CO 34a_100011215785_100012180447 [0,1,1,0,0,0|0,0,2]=4 1912 B13R0.287 CCCCCCC(CC)OC(C)CO 7a_100011215785_100012180447 [0,1,1,0,0,0|0,0,2]=4 1913 B13R0.287 CCCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210326 [0,1,1,0,0,0|2,0,0]=4 1914 B13R0.63 C=CCC(OCCCCCC)C(C)C 34a_200011216146_100000210314 [0,1,1,0,0,0|2,0,0]=4 1915 B13R0.63 C=CCC(OCCCCCC)C(C)C 7a_200011216146_100000210314 [0,1,1,0,0,0|2,0,0]=4 1916 B13R0.145 CCCCCCC(OCC)C(C)CC 34a_200011290773_100000210202 [0,1,1,0,0,0|1,0,1]=4 1917 B13R0.145 CCCCCCC(OCC)C(C)CC 7a_200011290773_100000210202 [0,1,1,0,0,0|1,0,1]=4 1918 B13R0.145 CCCCCCC(OCF)C(C)CC 34a_200011290773_100015361967 [0,1,1,0,0,0|1,0,1]=4 1919 B13R0.145 CCCCCCC(OCF)C(C)CC 7a_200011290773_100015361967 [0,1,1,0,0,0|1,0,1]=4 1920 B13R1.23 CCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210326 [1,1,0,0,0,0|1,0,1]=4 1921 B13R1.23 CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210326 [1,1,0,0,0,0|0,0,1]=3 1922 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000102301_100009814974 [1,1,0,0,0,0|1,0,1]=4 1923 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000102301_100009814974 [1,1,0,0,0,0|1,0,1]=4 1924 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000102301_100009814974 [1,1,0,0,0,0|1,0,1]=4 1925 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000102301_100009814974 [1,1,0,0,0,0|1,0,1]=4 1926 B13R1.23 CCOCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215890 [1,1,0,0,0,0|1,0,1]=4 1927 B13R1.23 CCSCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000757381 [1,1,0,0,0,0|1,0,1]=4 1928 B13R1.23 COCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000740836 [1,1,0,0,0,0|1,0,1]=4 1929 B13R1.23 O=C1CC[C@H](O1)C(=O)CCCCF 1458a_100009814974_100000729493 [1,1,0,0,0,0|1,0,1]=4 1930 B13R1.23 O=C1CC[C@H](O1)C(=O)CCCCO 1458a_100009814974_100000210776 [1,1,0,0,0,0|1,0,1]=4 1931 B13R1.27 CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210314 [1,1,0,0,0,0|2,0,0]=4 1932 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [1,1,0,0,0,0|1,0,0]=3 1933 B13R1.27 CCCCCCOC1CNC(=O)C1 34a_100000690082_100000210314 [1,1,0,0,0,0|2,0,0]=4 1934 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [1,1,0,0,0,0|1,0,0]=3 1935 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [1,1,0,0,0,0|1,0,0]=3 1936 B13R1.27 CCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210326 [1,1,0,0,0,0|2,0,0]=4 1937 B13R1.27 CCCCCNCC1CNC(=O)C1 34a_100016993742_100000718602 [1,1,0,0,0,0|2,0,0]=4 1938 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [1,1,0,0,0,0|1,0,0]=3 1939 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [1,1,0,0,0,0|1,0,0]=3 1940 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [1,1,0,0,0,0|1,0,0]=3 1941 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [1,1,0,0,0,0|1,0,0]=3 1942 B13R1.27 CCCCCNC[C@H]1COC(=O)N1 2230a_100000209983_100015307671 [1,1,0,0,0,0|2,0,0]=4 1943 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [1,1,0,0,0,0|1,0,0]=3 1944 B13R1.27 CCCCCOCC1CNC(=O)C1 34a_100016041077_100000718602 [1,1,0,0,0,0|2,0,0]=4 1945 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [1,1,0,0,0,0|1,0,0]=3 1946 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [1,1,0,0,0,0|1,0,0]=3 1947 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [1,1,0,0,0,0|1,0,0]=3 1948 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [1,1,0,0,0,0|1,0,0]=3 1949 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [1,1,0,0,0,0|1,0,0]=3 1950 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 34a_100000210253_100015307671 [1,1,0,0,0,0|2,0,0]=4 1951 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 7a_100000210253_100015307671 [1,1,0,0,0,0|2,0,0]=4 1952 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [1,1,0,0,0,0|1,0,0]=3 1953 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [1,1,0,0,0,0|1,0,0]=3 1954 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [1,1,0,0,0,0|1,0,0]=3 1955 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [1,1,0,0,0,0|1,0,0]=3 1956 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [1,1,0,0,0,0|1,0,0]=3 1957 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [1,1,0,0,0,0|1,0,0]=3 1958 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100000210326_100015307671 [1,1,0,0,0,0|2,0,0]=4 1959 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210326 [1,1,0,0,0,0|2,0,0]=4 1960 B13R1.27 CCCCNCCC1COS(=O)O1 7a_106832991798_100009840081 [1,1,0,0,0,0|2,0,0]=4 1961 B13R1.27 CCCCOCCC1COS(=O)O1 7a_100000210227_100009840081 [1,1,0,0,0,0|2,0,0]=4 1962 B13R1.27 CCCCOCOC1CCC(=O)C1 34a_100012614533_100011995733 [1,1,0,0,0,0|2,0,0]=4 1963 B13R1.27 CCCCOCSC1COC(=O)O1 62a_100011995733_100000032252 [1,1,0,0,0,0|2,0,0]=4 1964 B13R1.27 CCCCSCCC1COS(=O)O1 62a_100000210211_100009840081 [1,1,0,0,0,0|2,0,0]=4 1965 B13R1.27 CCCOCCNC1COC(=O)O1 34a_100161115042_100000032252 [1,1,0,0,0,0|2,0,0]=4 1966 B13R1.27 CCCOCCOC1CCC(=O)C1 34a_100012614533_100011215938 [1,1,0,0,0,0|2,0,0]=4 1967 B13R1.27 CCCOCCOC1COC(=O)O1 34a_100000752267_100000032252 [1,1,0,0,0,0|2,0,0]=4 1968 B13R1.27 CCCOCCSC1COC(=O)O1 62a_100011215938_100000032252 [1,1,0,0,0,0|2,0,0]=4 1969 B13R1.27 CCCSCCOC1COC(=O)O1 34a_200000230433_100000032252 [1,1,0,0,0,0|2,0,0]=4 1970 B13R1.27 CCOCCCNC1COC(=O)O1 34a_100000210961_100000032252 [1,1,0,0,0,0|2,0,0]=4 1971 B13R1.27 CCOCCCOC1CCC(=O)C1 34a_100012614533_100012232248 [1,1,0,0,0,0|2,0,0]=4 1972 B13R1.27 CCOCCCOC1COC(=O)O1 34a_100000757476_100000032252 [1,1,0,0,0,0|2,0,0]=4 1973 B13R1.27 CCOCCCSC1COC(=O)O1 62a_100012232248_100000032252 [1,1,0,0,0,0|2,0,0]=4 1974 B13R1.27 CCOCCNCC1CNC(=O)O1 2230a_102516460346_100000181169 [1,1,0,0,0,0|2,0,0]=4 1975 B13R1.27 CCOCCNCC1CNC(=O)O1 34a_102516460346_100000181169 [1,1,0,0,0,0|2,0,0]=4 1976 B13R1.27 CCOCCNCC1COC(=O)O1 34a_102516460346_100000073702 [1,1,0,0,0,0|2,0,0]=4 1977 B13R1.27 CCOCCNC[C@@H]1CCC(=O)N1 2230a_102516460346_100015189358 [1,1,0,0,0,0|2,0,0]=4 1978 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215890 [1,1,0,0,0,0|2,0,0]=4 1979 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210147 [1,1,0,0,0,0|2,0,0]=4 1980 B13R1.27 CCOCCOCC1CCC(=O)N1 34a_100000737831_100000210147 [1,1,0,0,0,0|2,0,0]=4 1981 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100000210136_100000181169 [1,1,0,0,0,0|2,0,0]=4 1982 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100011315639_100000210147 [1,1,0,0,0,0|2,0,0]=4 1983 B13R1.27 CCOCCOCC1CNC(=O)O1 7a_100000210136_100000181169 [1,1,0,0,0,0|2,0,0]=4 1984 B13R1.27 CCOCCOCC1COC(=O)O1 34a_100000210136_100000073702 [1,1,0,0,0,0|2,0,0]=4 1985 B13R1.27 CCOCCOC[C@@H]1CCC(=O)N1 7a_100000210136_100015189358 [1,1,0,0,0,0|2,0,0]=4 1986 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000181169_100011215890 [1,1,0,0,0,0|2,0,0]=4 1987 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000210147_100000181169 [1,1,0,0,0,0|2,0,0]=4 1988 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000073702_100011215890 [1,1,0,0,0,0|2,0,0]=4 1989 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000210147_100000073702 [1,1,0,0,0,0|2,0,0]=4 1990 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100000210147_100015189358 [1,1,0,0,0,0|2,0,0]=4 1991 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215890 [1,1,0,0,0,0|2,0,0]=4 1992 B13R1.27 CCSCCCOC1COC(=O)O1 34a_100011216438_100000032252 [1,1,0,0,0,0|2,0,0]=4 1993 B13R1.27 CCSCCNCC1CNC(=O)O1 2230a_100000106463_100000181169 [1,1,0,0,0,0|2,0,0]=4 1994 B13R1.27 CCSCCNC[C@@H]1CCC(=O)N1 2230a_100000106463_100015189358 [1,1,0,0,0,0|2,0,0]=4 1995 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000757381 [1,1,0,0,0,0|2,0,0]=4 1996 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000757381 [1,1,0,0,0,0|2,0,0]=4 1997 B13R1.27 CCSCCOCC1CCC(=O)N1 34a_100000737831_100000757381 [1,1,0,0,0,0|2,0,0]=4 1998 B13R1.27 CCSCCOCC1CNC(=O)O1 34a_100000212035_100000181169 [1,1,0,0,0,0|2,0,0]=4 1999 B13R1.27 CCSCCOCC1CNC(=O)O1 34a_100011315639_100000757381 [1,1,0,0,0,0|2,0,0]=4 2000 B13R1.27 CCSCCOCC1CNC(=O)O1 7a_100000212035_100000181169 [1,1,0,0,0,0|2,0,0]=4 2001 B13R1.27 CCSCCOCC1COC(=O)O1 34a_100000212035_100000073702 [1,1,0,0,0,0|2,0,0]=4 2002 B13R1.27 CCSCCOC[C@@H]1CCC(=O)N1 7a_100000212035_100015189358 [1,1,0,0,0,0|2,0,0]=4 2003 B13R1.27 CCSCCSCC1CNC(=O)O1 62a_100000181169_100000757381 [1,1,0,0,0,0|2,0,0]=4 2004 B13R1.27 CCSCCSCC1CNC(=O)O1 62a_100000757381_100000181169 [1,1,0,0,0,0|2,0,0]=4 2005 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000073702_100000757381 [1,1,0,0,0,0|2,0,0]=4 2006 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000757381_100000073702 [1,1,0,0,0,0|2,0,0]=4 2007 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100000757381_100015189358 [1,1,0,0,0,0|2,0,0]=4 2008 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757381 [1,1,0,0,0,0|2,0,0]=4 2009 B13R1.27 CNCCCOCC1CNC(=O)O1 34a_100000213112_100000181169 [1,1,0,0,0,0|2,0,0]=4 2010 B13R1.27 CNCCCOCC1COC(=O)O1 34a_100000213112_100000073702 [1,1,0,0,0,0|2,0,0]=4 2011 B13R1.27 COCCCCOC1CCC(=O)C1 34a_100012614533_100000755781 [1,1,0,0,0,0|2,0,0]=4 2012 B13R1.27 COCCCCOC1COC(=O)O1 34a_100000740925_100000032252 [1,1,0,0,0,0|2,0,0]=4 2013 B13R1.27 COCCCCSC1COC(=O)O1 62a_100000730899_100000032252 [1,1,0,0,0,0|2,0,0]=4 2014 B13R1.27 COCCCNCC1CNC(=O)O1 34a_100150723488_100000181169 [1,1,0,0,0,0|2,0,0]=4 2015 B13R1.27 COCCCNCC1COC(=O)O1 34a_100150723488_100000073702 [1,1,0,0,0,0|2,0,0]=4 2016 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000740836 [1,1,0,0,0,0|2,0,0]=4 2017 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000740836 [1,1,0,0,0,0|2,0,0]=4 2018 B13R1.27 COCCCOCC1CCC(=O)N1 34a_100000737831_100000740836 [1,1,0,0,0,0|2,0,0]=4 2019 B13R1.27 COCCCOCC1CNC(=O)O1 34a_100000740835_100000181169 [1,1,0,0,0,0|2,0,0]=4 2020 B13R1.27 COCCCOCC1CNC(=O)O1 34a_100011315639_100000740836 [1,1,0,0,0,0|2,0,0]=4 2021 B13R1.27 COCCCOCC1COC(=O)O1 34a_100000740835_100000073702 [1,1,0,0,0,0|2,0,0]=4 2022 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000181169_100000709357 [1,1,0,0,0,0|2,0,0]=4 2023 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000709357_100000181169 [1,1,0,0,0,0|2,0,0]=4 2024 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000073702_100000709357 [1,1,0,0,0,0|2,0,0]=4 2025 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000709357_100000073702 [1,1,0,0,0,0|2,0,0]=4 2026 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100000709357_100015189358 [1,1,0,0,0,0|2,0,0]=4 2027 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000709357 [1,1,0,0,0,0|2,0,0]=4 2028 B13R1.27 CSCCCCOC1COC(=O)O1 34a_100011217163_100000032252 [1,1,0,0,0,0|2,0,0]=4 2029 B13R1.27 CSCCCNCC1CNC(=O)O1 2230a_100000749238_100000181169 [1,1,0,0,0,0|2,0,0]=4 2030 B13R1.27 CSCCCNC[C@@H]1CCC(=O)N1 2230a_100000749238_100015189358 [1,1,0,0,0,0|2,0,0]=4 2031 B13R1.27 CSCCCOCC1CNC(=O)O1 34a_100000690336_100000181169 [1,1,0,0,0,0|2,0,0]=4 2032 B13R1.27 CSCCCOCC1CNC(=O)O1 7a_100000690336_100000181169 [1,1,0,0,0,0|2,0,0]=4 2033 B13R1.27 CSCCCOCC1COC(=O)O1 34a_100000690336_100000073702 [1,1,0,0,0,0|2,0,0]=4 2034 B13R1.27 CSCCCOC[C@@H]1CCC(=O)N1 7a_100000690336_100015189358 [1,1,0,0,0,0|2,0,0]=4 2035 B13R1.27 NCCCCCOC1COC(=O)O1 34a_100000762737_100000032252 [1,1,0,0,0,0|2,0,0]=4 2036 B13R1.27 NCCCCOCC1CNC(=O)O1 34a_100000750430_100000181169 [1,1,0,0,0,0|2,0,0]=4 2037 B13R1.27 NCCCCOCC1COC(=O)O1 34a_100000750430_100000073702 [1,1,0,0,0,0|2,0,0]=4 2038 B13R1.27 O=C1CCC(C1)OCCCCCF 34a_100012614533_100000729378 [1,1,0,0,0,0|2,0,0]=4 2039 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [1,1,0,0,0,0|2,0,0]=4 2040 B13R1.27 O=C1CCC(N1)COCCCCF 34a_100000737831_100000729493 [1,1,0,0,0,0|2,0,0]=4 2041 B13R1.27 O=C1CCC(N1)COCCCCO 34a_100000737831_100011216708 [1,1,0,0,0,0|2,0,0]=4 2042 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 2230a_100015423886_100000729493 [1,1,0,0,0,0|2,0,0]=4 2043 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 34a_100015423886_100000729493 [1,1,0,0,0,0|2,0,0]=4 2044 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 2230a_100015423886_100000210776 [1,1,0,0,0,0|2,0,0]=4 2045 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 34a_100015423886_100011216708 [1,1,0,0,0,0|2,0,0]=4 2046 B13R1.27 O=C1CC[C@H](N1)CNCCCCO 2230a_100000750430_100015189358 [1,1,0,0,0,0|2,0,0]=4 2047 B13R1.27 O=C1CC[C@H](N1)COCCCCCl 7a_100000210776_100015189358 [1,1,0,0,0,0|2,0,0]=4 2048 B13R1.27 O=C1CC[C@H](N1)COCCCCF 7a_100011995726_100015189358 [1,1,0,0,0,0|2,0,0]=4 2049 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100000729493_100015189358 [1,1,0,0,0,0|2,0,0]=4 2050 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100015189358_100000729493 [1,1,0,0,0,0|2,0,0]=4 2051 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100000210776_100015189358 [1,1,0,0,0,0|2,0,0]=4 2052 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100015189358_100000210776 [1,1,0,0,0,0|2,0,0]=4 2053 B13R1.27 O=C1NCC(O1)CNCCCCO 2230a_100000750430_100000181169 [1,1,0,0,0,0|2,0,0]=4 2054 B13R1.27 O=C1NCC(O1)CNCCCCO 34a_100000750430_100000181169 [1,1,0,0,0,0|2,0,0]=4 2055 B13R1.27 O=C1NCC(O1)COCCCCBr 34a_100011216708_100000181169 [1,1,0,0,0,0|2,0,0]=4 2056 B13R1.27 O=C1NCC(O1)COCCCCCl 34a_100000210776_100000181169 [1,1,0,0,0,0|2,0,0]=4 2057 B13R1.27 O=C1NCC(O1)COCCCCCl 7a_100000210776_100000181169 [1,1,0,0,0,0|2,0,0]=4 2058 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011315639_100000729493 [1,1,0,0,0,0|2,0,0]=4 2059 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011995726_100000181169 [1,1,0,0,0,0|2,0,0]=4 2060 B13R1.27 O=C1NCC(O1)COCCCCF 7a_100011995726_100000181169 [1,1,0,0,0,0|2,0,0]=4 2061 B13R1.27 O=C1NCC(O1)COCCCCI 34a_200012148704_100000181169 [1,1,0,0,0,0|2,0,0]=4 2062 B13R1.27 O=C1NCC(O1)COCCCCO 34a_100011315639_100011216708 [1,1,0,0,0,0|2,0,0]=4 2063 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000181169_100000729493 [1,1,0,0,0,0|2,0,0]=4 2064 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000729493_100000181169 [1,1,0,0,0,0|2,0,0]=4 2065 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000181169_100000210776 [1,1,0,0,0,0|2,0,0]=4 2066 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000210776_100000181169 [1,1,0,0,0,0|2,0,0]=4 2067 B13R1.27 O=C1OCC(O1)CNCCCCO 34a_100000750430_100000073702 [1,1,0,0,0,0|2,0,0]=4 2068 B13R1.27 O=C1OCC(O1)COCCCCBr 34a_100011216708_100000073702 [1,1,0,0,0,0|2,0,0]=4 2069 B13R1.27 O=C1OCC(O1)COCCCCCl 34a_100000210776_100000073702 [1,1,0,0,0,0|2,0,0]=4 2070 B13R1.27 O=C1OCC(O1)COCCCCF 34a_100011995726_100000073702 [1,1,0,0,0,0|2,0,0]=4 2071 B13R1.27 O=C1OCC(O1)COCCCCI 34a_200012148704_100000073702 [1,1,0,0,0,0|2,0,0]=4 2072 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000073702_100000729493 [1,1,0,0,0,0|2,0,0]=4 2073 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000729493_100000073702 [1,1,0,0,0,0|2,0,0]=4 2074 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000073702_100000210776 [1,1,0,0,0,0|2,0,0]=4 2075 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000210776_100000073702 [1,1,0,0,0,0|2,0,0]=4 2076 B13R1.27 O=C1OCC(O1)NCCCCCO 34a_100000762737_100000032252 [1,1,0,0,0,0|2,0,0]=4 2077 B13R1.27 O=C1OCC(O1)OCCCCCBr 34a_100000746331_100000032252 [1,1,0,0,0,0|2,0,0]=4 2078 B13R1.27 O=C1OCC(O1)OCCCCCCl 34a_100000746330_100000032252 [1,1,0,0,0,0|2,0,0]=4 2079 B13R1.27 O=C1OCC(O1)OCCCCCI 34a_200012148887_100000032252 [1,1,0,0,0,0|2,0,0]=4 2080 B13R1.27 O=C1OCC(O1)SCCCCCF 62a_100000729378_100000032252 [1,1,0,0,0,0|2,0,0]=4 2081 B13R1.27 O=C1OCC(O1)SCCCCCO 62a_100000746330_100000032252 [1,1,0,0,0,0|2,0,0]=4 2082 B13R1.41 CCCC(C)COC1CCC(=O)C1 34a_100012614533_100011216630 [1,1,0,0,0,0|2,0,0]=4 2083 B13R1.41 CCCC(C)COC1COC(=O)O1 34a_100000688023_100000032252 [1,1,0,0,0,0|2,0,0]=4 2084 B13R1.41 CCCC(C)CSC1COC(=O)O1 62a_100011216630_100000032252 [1,1,0,0,0,0|2,0,0]=4 2085 B13R1.41 CCCC(C)NCC1CNC(=O)O1 2230a_100000741246_100000181169 [1,1,0,0,0,0|2,0,0]=4 2086 B13R1.41 CCCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000741246_100015189358 [1,1,0,0,0,0|2,0,0]=4 2087 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000766640 [1,1,0,0,0,0|2,0,0]=4 2088 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000211909 [1,1,0,0,0,0|2,0,0]=4 2089 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100000766640 [1,1,0,0,0,0|2,0,0]=4 2090 B13R1.41 CCCC(C)OCC1CCC(=O)N1 34a_100000737831_100000766640 [1,1,0,0,0,0|2,0,0]=4 2091 B13R1.41 CCCC(C)OCC1CNC(=O)O1 34a_100000764384_100000181169 [1,1,0,0,0,0|2,0,0]=4 2092 B13R1.41 CCCC(C)OCC1CNC(=O)O1 34a_100011315639_100000766640 [1,1,0,0,0,0|2,0,0]=4 2093 B13R1.41 CCCC(C)OCC1CNC(=O)O1 7a_100000764384_100000181169 [1,1,0,0,0,0|2,0,0]=4 2094 B13R1.41 CCCC(C)OCC1COC(=O)O1 34a_100000764384_100000073702 [1,1,0,0,0,0|2,0,0]=4 2095 B13R1.41 CCCC(C)OC[C@@H]1CCC(=O)N1 7a_100000764384_100015189358 [1,1,0,0,0,0|2,0,0]=4 2096 B13R1.41 CCCC(C)SCC1CNC(=O)O1 62a_100000181169_100000766640 [1,1,0,0,0,0|2,0,0]=4 2097 B13R1.41 CCCC(C)SCC1CNC(=O)O1 62a_100000766640_100000181169 [1,1,0,0,0,0|2,0,0]=4 2098 B13R1.41 CCCC(C)SCC1COC(=O)O1 62a_100000073702_100000766640 [1,1,0,0,0,0|2,0,0]=4 2099 B13R1.41 CCCC(C)SCC1COC(=O)O1 62a_100000766640_100000073702 [1,1,0,0,0,0|2,0,0]=4 2100 B13R1.41 CCCC(C)SC[C@@H]1CCC(=O)N1 62a_100000766640_100015189358 [1,1,0,0,0,0|2,0,0]=4 2101 B13R1.41 CCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000766640 [1,1,0,0,0,0|2,0,0]=4 2102 B13R1.41 CCC[C@H](N)COC1COC(=O)O1 34a_100000732646_100000032252 [1,1,0,0,0,0|2,0,0]=4 2103 B13R1.43 CCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210211 [1,1,0,0,0,0|1,0,1]=4 2104 B13R1.43 CCCCC(=O)CC1CNC(=O)O1 1458a_100000210183_100000181169 [1,1,0,0,0,0|1,0,1]=4 2105 B13R1.43 CCCCC(=O)CC1COC(=O)O1 1458a_100000210183_100000073702 [1,1,0,0,0,0|1,0,1]=4 2106 B13R1.43 CCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210183_100015189358 [1,1,0,0,0,0|1,0,1]=4 2107 B13R1.43 CCCCC(C)OC1CCC(=O)C1 34a_100012614533_200011215066 [1,1,0,0,0,0|2,0,0]=4 2108 B13R1.43 CCCCC(C)OC1COC(=O)O1 34a_100000687866_100000032252 [1,1,0,0,0,0|2,0,0]=4 2109 B13R1.43 CCCCC(C)SC1COC(=O)O1 62a_200011215066_100000032252 [1,1,0,0,0,0|2,0,0]=4 2110 B13R1.43 CCCCN(C)CC1CNC(=O)O1 2230a_100000207549_100000181169 [1,1,0,0,0,0|2,0,0]=4 2111 B13R1.43 CCCCN(C)CC1CNC(=O)O1 269982a_100000207549_100000181169 [1,1,0,0,0,0|2,0,0]=4 2112 B13R1.43 CCCCN(C)CC1COC(=O)O1 269982a_100000207549_100000073702 [1,1,0,0,0,0|2,0,0]=4 2113 B13R1.43 CCCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000207549_100015189358 [1,1,0,0,0,0|2,0,0]=4 2114 B13R1.43 CCCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000207549_100015189358 [1,1,0,0,0,0|2,0,0]=4 2115 B13R1.128 CC(Br)CCOCC1CNC(=O)O1 34a_100009893172_100000181169 [1,1,0,0,0,0|2,0,0]=4 2116 B13R1.128 CC(Br)CCOCC1COC(=O)O1 34a_100009893172_100000073702 [1,1,0,0,0,0|2,0,0]=4 2117 B13R1.128 CC(C)CCCNC1COC(=O)O1 34a_200000737386_100000032252 [1,1,0,0,0,0|2,0,0]=4 2118 B13R1.128 CC(C)CCCOC1CCC(=O)C1 34a_100012614533_100011214892 [1,1,0,0,0,0|2,0,0]=4 2119 B13R1.128 CC(C)CCCOC1COC(=O)O1 34a_100000210774_100000032252 [1,1,0,0,0,0|2,0,0]=4 2120 B13R1.128 CC(C)CCCSC1COC(=O)O1 62a_100011214892_100000032252 [1,1,0,0,0,0|2,0,0]=4 2121 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210312 [1,1,0,0,0,0|2,0,0]=4 2122 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 269862a_100015423886_100000185833 [1,1,0,0,0,0|2,0,0]=4 2123 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210312 [1,1,0,0,0,0|2,0,0]=4 2124 B13R1.128 CC(C)CCOCC1CCC(=O)N1 34a_100000737831_100000210312 [1,1,0,0,0,0|2,0,0]=4 2125 B13R1.128 CC(C)CCOCC1CNC(=O)O1 34a_100000210254_100000181169 [1,1,0,0,0,0|2,0,0]=4 2126 B13R1.128 CC(C)CCOCC1CNC(=O)O1 34a_100011315639_100000210312 [1,1,0,0,0,0|2,0,0]=4 2127 B13R1.128 CC(C)CCOCC1CNC(=O)O1 7a_100000210254_100000181169 [1,1,0,0,0,0|2,0,0]=4 2128 B13R1.128 CC(C)CCOCC1COC(=O)O1 34a_100000210254_100000073702 [1,1,0,0,0,0|2,0,0]=4 2129 B13R1.128 CC(C)CCOC[C@@H]1CCC(=O)N1 7a_100000210254_100015189358 [1,1,0,0,0,0|2,0,0]=4 2130 B13R1.128 CC(C)CCSCC1CNC(=O)O1 62a_100000181169_100000210312 [1,1,0,0,0,0|2,0,0]=4 2131 B13R1.128 CC(C)CCSCC1CNC(=O)O1 62a_100000210312_100000181169 [1,1,0,0,0,0|2,0,0]=4 2132 B13R1.128 CC(C)CCSCC1COC(=O)O1 62a_100000073702_100000210312 [1,1,0,0,0,0|2,0,0]=4 2133 B13R1.128 CC(C)CCSCC1COC(=O)O1 62a_100000210312_100000073702 [1,1,0,0,0,0|2,0,0]=4 2134 B13R1.128 CC(C)CCSC[C@@H]1CCC(=O)N1 62a_100000210312_100015189358 [1,1,0,0,0,0|2,0,0]=4 2135 B13R1.128 CC(C)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210312 [1,1,0,0,0,0|2,0,0]=4 2136 B13R1.128 CC(O)CCCOC1CCC(=O)C1 34a_100012614533_200000718107 [1,1,0,0,0,0|2,0,0]=4 2137 B13R1.128 CC(O)CCCSC1COC(=O)O1 62a_200000718107_100000032252 [1,1,0,0,0,0|2,0,0]=4 2138 B13R1.128 CC(O)CCNCC1CNC(=O)O1 2230a_200000755665_100000181169 [1,1,0,0,0,0|2,0,0]=4 2139 B13R1.128 CC(O)CCNC[C@@H]1CCC(=O)N1 2230a_200000755665_100015189358 [1,1,0,0,0,0|2,0,0]=4 2140 B13R1.128 CC(O)CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100012276601 [1,1,0,0,0,0|2,0,0]=4 2141 B13R1.128 CC(O)CCNC[C@H]1CCC(=O)N1 34a_100015423886_100012276601 [1,1,0,0,0,0|2,0,0]=4 2142 B13R1.128 CC(O)CCOCC1CCC(=O)N1 34a_100000737831_100012276601 [1,1,0,0,0,0|2,0,0]=4 2143 B13R1.128 CC(O)CCOCC1CNC(=O)O1 34a_100011315639_100012276601 [1,1,0,0,0,0|2,0,0]=4 2144 B13R1.128 CC(O)CCSCC1CNC(=O)O1 62a_100000181169_100012276601 [1,1,0,0,0,0|2,0,0]=4 2145 B13R1.128 CC(O)CCSCC1CNC(=O)O1 62a_100012276601_100000181169 [1,1,0,0,0,0|2,0,0]=4 2146 B13R1.128 CC(O)CCSCC1COC(=O)O1 62a_100000073702_100012276601 [1,1,0,0,0,0|2,0,0]=4 2147 B13R1.128 CC(O)CCSCC1COC(=O)O1 62a_100012276601_100000073702 [1,1,0,0,0,0|2,0,0]=4 2148 B13R1.128 CC(O)CCSC[C@@H]1CCC(=O)N1 62a_100012276601_100015189358 [1,1,0,0,0,0|2,0,0]=4 2149 B13R1.128 CC(O)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100012276601 [1,1,0,0,0,0|2,0,0]=4 2150 B13R1.128 C[C@@H](N)CCOCC1CNC(=O)O1 34a_100000706166_100000181169 [1,1,0,0,0,0|2,0,0]=4 2151 B13R1.128 C[C@@H](N)CCOCC1COC(=O)O1 34a_100000706166_100000073702 [1,1,0,0,0,0|2,0,0]=4 2152 B13R1.717 CCC(C)CNCC1CNC(=O)O1 2230a_100020588543_100000181169 [1,1,0,0,0,0|2,0,0]=4 2153 B13R1.717 CCC(C)CNC[C@@H]1CCC(=O)N1 2230a_100020588543_100015189358 [1,1,0,0,0,0|2,0,0]=4 2154 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000748023 [1,1,0,0,0,0|2,0,0]=4 2155 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000243153 [1,1,0,0,0,0|2,0,0]=4 2156 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000748023 [1,1,0,0,0,0|2,0,0]=4 2157 B13R1.717 CCC(C)COCC1CCC(=O)N1 34a_100000737831_100000748023 [1,1,0,0,0,0|2,0,0]=4 2158 B13R1.717 CCC(C)COCC1CNC(=O)O1 34a_100011315639_100000748023 [1,1,0,0,0,0|2,0,0]=4 2159 B13R1.717 CCC(C)CSCC1CNC(=O)O1 62a_100000181169_100000748023 [1,1,0,0,0,0|2,0,0]=4 2160 B13R1.717 CCC(C)CSCC1CNC(=O)O1 62a_100000748023_100000181169 [1,1,0,0,0,0|2,0,0]=4 2161 B13R1.717 CCC(C)CSCC1COC(=O)O1 62a_100000073702_100000748023 [1,1,0,0,0,0|2,0,0]=4 2162 B13R1.717 CCC(C)CSCC1COC(=O)O1 62a_100000748023_100000073702 [1,1,0,0,0,0|2,0,0]=4 2163 B13R1.717 CCC(C)CSC[C@@H]1CCC(=O)N1 62a_100000748023_100015189358 [1,1,0,0,0,0|2,0,0]=4 2164 B13R1.717 CCC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000748023 [1,1,0,0,0,0|2,0,0]=4 2165 B13R1.717 CCC(O)CNCC1CNC(=O)O1 2230a_100011218483_100000181169 [1,1,0,0,0,0|2,0,0]=4 2166 B13R1.717 CCC(O)CNC[C@@H]1CCC(=O)N1 2230a_100011218483_100015189358 [1,1,0,0,0,0|2,0,0]=4 2167 B13R1.717 CCC(O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218378 [1,1,0,0,0,0|2,0,0]=4 2168 B13R1.717 CCC(O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011218378 [1,1,0,0,0,0|2,0,0]=4 2169 B13R1.717 CCC(O)COCC1CCC(=O)N1 34a_100000737831_100011218378 [1,1,0,0,0,0|2,0,0]=4 2170 B13R1.717 CCC(O)COCC1CNC(=O)O1 34a_100011315639_100011218378 [1,1,0,0,0,0|2,0,0]=4 2171 B13R1.717 CCC(O)CSCC1CNC(=O)O1 62a_100000181169_100011218378 [1,1,0,0,0,0|2,0,0]=4 2172 B13R1.717 CCC(O)CSCC1CNC(=O)O1 62a_100011218378_100000181169 [1,1,0,0,0,0|2,0,0]=4 2173 B13R1.717 CCC(O)CSCC1COC(=O)O1 62a_100000073702_100011218378 [1,1,0,0,0,0|2,0,0]=4 2174 B13R1.717 CCC(O)CSCC1COC(=O)O1 62a_100011218378_100000073702 [1,1,0,0,0,0|2,0,0]=4 2175 B13R1.717 CCC(O)CSC[C@@H]1CCC(=O)N1 62a_100011218378_100015189358 [1,1,0,0,0,0|2,0,0]=4 2176 B13R1.717 CCC(O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218378 [1,1,0,0,0,0|2,0,0]=4 2177 B13R1.717 CC[C@H](C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100009816398 [1,1,0,0,0,0|2,0,0]=4 2178 B13R1.717 CC[C@H](C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100009816398 [1,1,0,0,0,0|2,0,0]=4 2179 B13R1.717 CC[C@H](C)COCC1CCC(=O)N1 34a_100000737831_100009816398 [1,1,0,0,0,0|2,0,0]=4 2180 B13R1.717 CC[C@H](C)COCC1CNC(=O)O1 34a_100011315639_100009816398 [1,1,0,0,0,0|2,0,0]=4 2181 B13R1.717 CC[C@H](C)COCC1CNC(=O)O1 7a_100009816381_100000181169 [1,1,0,0,0,0|2,0,0]=4 2182 B13R1.717 CC[C@H](C)COC[C@@H]1CCC(=O)N1 7a_100009816381_100015189358 [1,1,0,0,0,0|2,0,0]=4 2183 B13R1.717 CC[C@H](C)CSCC1CNC(=O)O1 62a_100000181169_100009816398 [1,1,0,0,0,0|2,0,0]=4 2184 B13R1.717 CC[C@H](C)CSCC1CNC(=O)O1 62a_100009816398_100000181169 [1,1,0,0,0,0|2,0,0]=4 2185 B13R1.717 CC[C@H](C)CSCC1COC(=O)O1 62a_100000073702_100009816398 [1,1,0,0,0,0|2,0,0]=4 2186 B13R1.717 CC[C@H](C)CSCC1COC(=O)O1 62a_100009816398_100000073702 [1,1,0,0,0,0|2,0,0]=4 2187 B13R1.717 CC[C@H](C)CSC[C@@H]1CCC(=O)N1 62a_100009816398_100015189358 [1,1,0,0,0,0|2,0,0]=4 2188 B13R1.717 CC[C@H](C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100009816398 [1,1,0,0,0,0|2,0,0]=4 2189 B13R1.137 CCCCCCC1CCCC1NC 269862a_106832991636_100000189428 [1,1,0,0,0,0|1,0,1]=4 2190 B13R1.137 CCCCCCC1CCCC1NC 270004a_106832991635_100000189428 [1,1,0,0,0,0|1,0,1]=4 2191 B13R1.654 CCCCCCNC1CCCC1C 269862a_100000210581_100000752053 [1,1,0,0,0,0|1,0,1]=4 2192 B13R1.654 CCCCCCOC1CCCC1C 34a_100011216460_100000210314 [1,1,0,0,0,0|1,0,1]=4 2193 B13R1.654 CCCCCCOC1CCCC1C 7a_100011216460_100000210314 [1,1,0,0,0,0|1,0,1]=4 2194 B13R1.654 CCCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210314 [1,1,0,0,0,0|2,0,0]=4 2195 B15R1.9499 CCCCCCN1CC(=O)N(C[C@@H]1C)C 2230a_100016994881_100000210314 [0,1,0,0,0,1|2,0,0]=4 2196 B15R1.9499 CCCCCCN1CC(=O)N(C[C@@H]1C)C 269982a_100016994881_100000210757 [0,1,0,0,0,1|2,0,0]=4 2197 B15R1.9499 CCCCCCN1CC(=O)N(C[C@@H]1C)C 34a_100016994881_100000210314 [0,1,0,0,0,1|2,0,0]=4 2198 B15R1.22765 CC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C 1458a_100000093966_200000210301 [0,2,0,0,0,0|2,0,0]=4 2199 B15R1.22765 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)[13CH3] 1458a_100000093966_200025704644 [0,2,0,0,0,0|2,0,0]=4 2200 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,0,1,1,0,0|2,0,0]=4 2201 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [0,0,1,1,0,0|2,0,0]=4 2202 B13R1.42 CCCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210303 [0,0,1,1,0,0|1,0,1]=4 2203 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [0,0,1,1,0,0|1,0,0]=3 2204 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [0,0,1,1,0,0|1,0,0]=3 2205 B13R1.42 CCCC(=O)CCC1CCOCC1 1458a_100000211992_100011934994 [0,0,1,1,0,0|2,0,0]=4 2206 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000211992_100000739454 [0,0,1,1,0,0|2,0,0]=4 2207 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000743487_100000210303 [0,0,1,1,0,0|2,0,0]=4 2208 B13R1.42 CCCC(=O)CNC1CCCCC1 2230a_100000182618_100000747444 [0,0,1,1,0,0|2,0,0]=4 2209 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100000211992_100011935260 [0,0,1,1,0,0|2,0,0]=4 2210 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100011223303_100000210303 [0,0,1,1,0,0|2,0,0]=4 2211 B13R1.42 CCCC(=O)COC1CCCCC1 7a_100000210231_100000747444 [0,0,1,1,0,0|2,0,0]=4 2212 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000210327_100000747444 [0,0,1,1,0,0|2,0,0]=4 2213 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000747444_100000210327 [0,0,1,1,0,0|2,0,0]=4 2214 B13R1.42 CCCC(=O)NCC1CCCCC1 11a_100000210473_100000211992 [0,0,1,1,0,0|1,0,0]=3 2215 B13R1.42 CCCC(=O)NCC1CCCCC1 1626a_100000210473_100000211992 [0,0,1,1,0,0|1,0,0]=3 2216 B13R1.42 CCCC(=O)NCC1CCCCC1 240690a_100000210473_100000211992 [0,0,1,1,0,0|1,0,0]=3 2217 B13R1.42 CCCC(=O)NCC1CCCCC1 527a_100000210473_100000211992 [0,0,1,1,0,0|1,0,0]=3 2218 B13R1.42 CCCC(=O)NCC1CCCCO1 11a_100000174945_100000211992 [0,0,1,1,0,0|2,0,0]=4 2219 B13R1.42 CCCC(=O)NCC1CCCCO1 1626a_100000174945_100000211992 [0,0,1,1,0,0|2,0,0]=4 2220 B13R1.42 CCCC(=O)NCC1CCCCO1 240690a_100000174945_100000211992 [0,0,1,1,0,0|2,0,0]=4 2221 B13R1.42 CCCC(=O)NCC1CCCCO1 527a_100000174945_100000211992 [0,0,1,1,0,0|2,0,0]=4 2222 B13R1.42 CCCC(=O)NCC1CCCOC1 11a_100000720124_100000211992 [0,0,1,1,0,0|2,0,0]=4 2223 B13R1.42 CCCC(=O)NCC1CCCOC1 1626a_100000720124_100000211992 [0,0,1,1,0,0|2,0,0]=4 2224 B13R1.42 CCCC(=O)NCC1CCCOC1 240690a_100000720124_100000211992 [0,0,1,1,0,0|2,0,0]=4 2225 B13R1.42 CCCC(=O)NCC1CCCOC1 527a_100000720124_100000211992 [0,0,1,1,0,0|2,0,0]=4 2226 B13R1.42 CCCC(=O)NCC1CCOCC1 11a_100000746373_100000211992 [0,0,1,1,0,0|2,0,0]=4 2227 B13R1.42 CCCC(=O)NCC1CCOCC1 1626a_100000746373_100000211992 [0,0,1,1,0,0|2,0,0]=4 2228 B13R1.42 CCCC(=O)NCC1CCOCC1 240690a_100000746373_100000211992 [0,0,1,1,0,0|2,0,0]=4 2229 B13R1.42 CCCC(=O)NCC1CCOCC1 527a_100000746373_100000211992 [0,0,1,1,0,0|2,0,0]=4 2230 B13R1.42 CCCC(=O)NCC1CCSCC1 11a_100015188806_100000211992 [0,0,1,1,0,0|2,0,0]=4 2231 B13R1.42 CCCC(=O)NCC1CCSCC1 240690a_100015188806_100000211992 [0,0,1,1,0,0|2,0,0]=4 2232 B13R1.42 CCCC(=O)NCC1CCSCC1 527a_100015188806_100000211992 [0,0,1,1,0,0|2,0,0]=4 2233 B13R1.42 CCCC(=O)NNC1CCCCC1 22a_100000709804_100000211992 [0,0,1,1,0,0|2,0,0]=4 2234 B13R1.42 CCCC(=O)OCN1CCCOC1 2230a_100000131196_100000034017 [0,0,1,1,0,0|2,0,0]=4 2235 B13R1.42 CCCC(=O)OCN1CCCOC1 269982a_100000131196_100000034017 [0,0,1,1,0,0|2,0,0]=4 2236 B13R1.42 CCCC(=O)OCN1CCCOC1 34a_100000131196_100000034017 [0,0,1,1,0,0|2,0,0]=4 2237 B13R1.42 CCCC(=O)OCN1CCOCC1 2230a_100015191051_100000034017 [0,0,1,1,0,0|2,0,0]=4 2238 B13R1.42 CCCC(=O)OCN1CCOCC1 269982a_100015191051_100000034017 [0,0,1,1,0,0|2,0,0]=4 2239 B13R1.42 CCCC(=O)OCN1CCOCC1 34a_100015191051_100000034017 [0,0,1,1,0,0|2,0,0]=4 2240 B13R1.42 CCCC(=O)OCN1CCSCC1 2230a_100000737611_100000034017 [0,0,1,1,0,0|2,0,0]=4 2241 B13R1.42 CCCC(=O)OCN1CCSCC1 269982a_100000737611_100000034017 [0,0,1,1,0,0|2,0,0]=4 2242 B13R1.42 CCCC(C)OCC1CCCCC1 34a_100000212181_100000766640 [0,0,1,1,0,0|1,0,1]=4 2243 B13R1.42 CCCC(C)OCC1CCCCC1 34a_100000764384_100000211423 [0,0,1,1,0,0|1,0,1]=4 2244 B13R1.42 CCCC(C)OCC1CCCCC1 7a_100000212181_100000766640 [0,0,1,1,0,0|1,0,1]=4 2245 B13R1.42 CCCC(C)OCC1CCCCC1 7a_100000764384_100000211423 [0,0,1,1,0,0|1,0,1]=4 2246 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [0,0,1,1,0,0|2,0,0]=4 2247 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [0,0,1,1,0,0|2,0,0]=4 2248 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [0,0,1,1,0,0|2,0,0]=4 2249 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100000210473_100015525214 [0,0,1,1,0,0|2,0,0]=4 2250 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100015525214_100000210473 [0,0,1,1,0,0|2,0,0]=4 2251 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100000210473_100015525214 [0,0,1,1,0,0|2,0,0]=4 2252 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100015525214_100000210473 [0,0,1,1,0,0|2,0,0]=4 2253 B13R1.42 CCNC(=O)NCC1CCCCC1 512a_100015525214_100000210473 [0,0,1,1,0,0|2,0,0]=4 2254 B13R1.42 CNCC(=O)NCC1CCCCC1 2230a_106832991635_100000183341 [0,0,1,1,0,0|2,0,0]=4 2255 B13R1.42 CNCC(=O)NCC1CCCCC1 34a_100102657272_100000183341 [0,0,1,1,0,0|2,0,0]=4 2256 B13R1.42 CNCC(=O)NCC1CCCCC1 7a_106832991635_100000183341 [0,0,1,1,0,0|2,0,0]=4 2257 B13R1.42 COCC(=O)CCC1CCCCC1 1458a_100000210968_100011273959 [0,0,1,1,0,0|2,0,0]=4 2258 B13R1.42 COCC(=O)NCC1CCCCC1 11a_100000210473_100000210968 [0,0,1,1,0,0|2,0,0]=4 2259 B13R1.42 COCC(=O)NCC1CCCCC1 1626a_100000210473_100000210968 [0,0,1,1,0,0|2,0,0]=4 2260 B13R1.42 COCC(=O)NCC1CCCCC1 240690a_100000210473_100000210968 [0,0,1,1,0,0|2,0,0]=4 2261 B13R1.42 COCC(=O)NCC1CCCCC1 34a_100138415774_100000183341 [0,0,1,1,0,0|2,0,0]=4 2262 B13R1.42 COCC(=O)NCC1CCCCC1 527a_100000210473_100000210968 [0,0,1,1,0,0|2,0,0]=4 2263 B13R1.42 CSCC(=O)CCC1CCCCC1 1458a_100000184570_100011273959 [0,0,1,1,0,0|2,0,0]=4 2264 B13R1.42 CSCC(=O)NCC1CCCCC1 11a_100000210473_100000184570 [0,0,1,1,0,0|2,0,0]=4 2265 B13R1.42 CSCC(=O)NCC1CCCCC1 1626a_100000210473_100000184570 [0,0,1,1,0,0|2,0,0]=4 2266 B13R1.42 CSCC(=O)NCC1CCCCC1 240690a_100000210473_100000184570 [0,0,1,1,0,0|2,0,0]=4 2267 B13R1.42 CSCC(=O)NCC1CCCCC1 527a_100000210473_100000184570 [0,0,1,1,0,0|2,0,0]=4 2268 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_100000183341_200000210301 [0,0,1,1,0,0|2,0,0]=4 2269 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_200000210301_100000183341 [0,0,1,1,0,0|2,0,0]=4 2270 B13R1.42 O=C(CCF)CCC1CCCCC1 1458a_100000211375_100011217306 [0,0,1,1,0,0|2,0,0]=4 2271 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100000211375_100000211926 [0,0,1,1,0,0|2,0,0]=4 2272 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100011216618_100011273959 [0,0,1,1,0,0|2,0,0]=4 2273 B13R1.42 O=C(CCO)NCC1CCCCC1 240690a_100000210473_100011216618 [0,0,1,1,0,0|2,0,0]=4 2274 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_100000183341_200025704644 [0,0,1,1,0,0|2,0,0]=4 2275 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_200025704644_100000183341 [0,0,1,1,0,0|2,0,0]=4 2276 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210269_100000210614 [0,0,1,1,0,0|1,0,1]=4 2277 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210272_100000179811 [0,0,1,1,0,0|1,0,1]=4 2278 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210269_100000210614 [0,0,1,1,0,0|1,0,1]=4 2279 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210272_100000179811 [0,0,1,1,0,0|1,0,1]=4 2280 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [0,0,1,1,0,0|0,0,2]=4 2281 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 11a_100020646714_100000211992 [0,0,1,1,0,0|2,0,0]=4 2282 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 1626a_100020646714_100000211992 [0,0,1,1,0,0|2,0,0]=4 2283 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 240690a_100020646714_100000211992 [0,0,1,1,0,0|2,0,0]=4 2284 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [0,0,1,1,0,0|1,0,0]=3 2285 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000211992_100011445909 [0,0,1,1,0,0|2,0,0]=4 2286 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000743284_100000210303 [0,0,1,1,0,0|2,0,0]=4 2287 B13R1.404 CCCC(=O)CNCC1CCCC1 2230a_100000737975_100000747444 [0,0,1,1,0,0|2,0,0]=4 2288 B13R1.404 CCCC(=O)COCC1CCCC1 7a_100000742336_100000747444 [0,0,1,1,0,0|2,0,0]=4 2289 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000740388_100000747444 [0,0,1,1,0,0|2,0,0]=4 2290 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000747444_100000740388 [0,0,1,1,0,0|2,0,0]=4 2291 B13R1.404 CCCC(=O)NCCC1CCCC1 11a_100000739158_100000211992 [0,0,1,1,0,0|1,0,0]=3 2292 B13R1.404 CCCC(=O)NCCC1CCCC1 1626a_100000739158_100000211992 [0,0,1,1,0,0|1,0,0]=3 2293 B13R1.404 CCCC(=O)NCCC1CCCC1 240690a_100000739158_100000211992 [0,0,1,1,0,0|1,0,0]=3 2294 B13R1.404 CCCC(=O)NCCC1CCCC1 527a_100000739158_100000211992 [0,0,1,1,0,0|1,0,0]=3 2295 B13R1.404 CCCC(=O)NCCN1CCCC1 240690a_100000212299_100000211992 [0,0,1,1,0,0|2,0,0]=4 2296 B13R1.404 CCCC(=O)OCNC1CCCC1 2230a_100000211070_100000034017 [0,0,1,1,0,0|1,0,0]=3 2297 B13R1.404 CCCC(=O)OCNC1CCCC1 34a_100000211070_100000034017 [0,0,1,1,0,0|1,0,0]=3 2298 B13R1.404 CCCC(=O)OCN[C@@H]1CCOC1 2230a_200015188469_100000034017 [0,0,1,1,0,0|2,0,0]=4 2299 B13R1.404 CCCC(=O)OCN[C@H]1CCOC1 2230a_100015188467_100000034017 [0,0,1,1,0,0|2,0,0]=4 2300 B13R1.404 CCCC(=O)OCN[C@H]1CCOC1 34a_100015188467_100000034017 [0,0,1,1,0,0|2,0,0]=4 2301 B13R1.404 CCCC(=O)OCOC1CCCC1 34a_100000210269_100000034017 [0,0,1,1,0,0|1,0,0]=3 2302 B13R1.404 CCCC(=O)OCOC1CCCO1 34a_100000085407_100000034017 [0,0,1,1,0,0|2,0,0]=4 2303 B13R1.404 CCCC(=O)OCO[C@H]1CCOC1 34a_100000717292_100000034017 [0,0,1,1,0,0|2,0,0]=4 2304 B13R1.404 CCCC(=O)OCSC1CCCC1 62a_100011217020_100000034017 [0,0,1,1,0,0|1,0,0]=3 2305 B13R1.404 CCCC(C)OCCC1CCCC1 34a_100000749090_100000766640 [0,0,1,1,0,0|1,0,1]=4 2306 B13R1.404 CCCC(C)OCCC1CCCC1 34a_100000764384_100000760354 [0,0,1,1,0,0|1,0,1]=4 2307 B13R1.404 CCCC(C)OCCC1CCCC1 7a_100000749090_100000766640 [0,0,1,1,0,0|1,0,1]=4 2308 B13R1.404 CCCC(C)OCCC1CCCC1 7a_100000764384_100000760354 [0,0,1,1,0,0|1,0,1]=4 2309 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100000739158_100015525214 [0,0,1,1,0,0|2,0,0]=4 2310 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100015525214_100000739158 [0,0,1,1,0,0|2,0,0]=4 2311 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100000739158_100015525214 [0,0,1,1,0,0|2,0,0]=4 2312 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100015525214_100000739158 [0,0,1,1,0,0|2,0,0]=4 2313 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100000739158_100015525214 [0,0,1,1,0,0|2,0,0]=4 2314 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100015525214_100000739158 [0,0,1,1,0,0|2,0,0]=4 2315 B13R1.404 CCOC(=O)OCSC1CCCC1 62a_100011217020_100000075025 [0,0,1,1,0,0|2,0,0]=4 2316 B13R1.404 COCC(=O)CCCC1CCCC1 1458a_100000210968_100011713738 [0,0,1,1,0,0|2,0,0]=4 2317 B13R1.404 COCC(=O)NCCC1CCCC1 11a_100000739158_100000210968 [0,0,1,1,0,0|2,0,0]=4 2318 B13R1.404 COCC(=O)NCCC1CCCC1 1626a_100000739158_100000210968 [0,0,1,1,0,0|2,0,0]=4 2319 B13R1.404 COCC(=O)NCCC1CCCC1 240690a_100000739158_100000210968 [0,0,1,1,0,0|2,0,0]=4 2320 B13R1.404 COCC(=O)NCCC1CCCC1 527a_100000739158_100000210968 [0,0,1,1,0,0|2,0,0]=4 2321 B13R1.404 CSCC(=O)CCCC1CCCC1 1458a_100000184570_100011713738 [0,0,1,1,0,0|2,0,0]=4 2322 B13R1.404 CSCC(=O)NCCC1CCCC1 11a_100000739158_100000184570 [0,0,1,1,0,0|2,0,0]=4 2323 B13R1.404 CSCC(=O)NCCC1CCCC1 1626a_100000739158_100000184570 [0,0,1,1,0,0|2,0,0]=4 2324 B13R1.404 CSCC(=O)NCCC1CCCC1 240690a_100000739158_100000184570 [0,0,1,1,0,0|2,0,0]=4 2325 B13R1.404 CSCC(=O)NCCC1CCCC1 527a_100000739158_100000184570 [0,0,1,1,0,0|2,0,0]=4 2326 B13R1.404 O=C(CCO)CCCC1CCCC1 1458a_100011216618_100011713738 [0,0,1,1,0,0|2,0,0]=4 2327 B13R1.404 O=C(CCO)NCCC1CCCC1 240690a_100000739158_100011216618 [0,0,1,1,0,0|2,0,0]=4 2328 B13R1.443 CCCC(=O)CN1CCCC1CC 2230a_100000754278_100000747444 [0,0,1,1,0,0|2,0,0]=4 2329 B13R1.443 CCCC(=O)CN1CCCC1CC 269982a_100000754278_100000747444 [0,0,1,1,0,0|2,0,0]=4 2330 B13R1.447 CCCC(=O)OCOCC1CC1C 34a_100000744939_100000034017 [0,0,1,1,0,0|1,0,0]=3 2331 B13R1.448 CCCC(=O)OCNCC1CCC1 2230a_100000738700_100000034017 [0,0,1,1,0,0|1,0,0]=3 2332 B13R1.448 CCCC(=O)OCNCC1CCC1 34a_100000738700_100000034017 [0,0,1,1,0,0|1,0,0]=3 2333 B13R1.448 CCCC(=O)OCNCC1COC1 2230a_100015281925_100000034017 [0,0,1,1,0,0|2,0,0]=4 2334 B13R1.448 CCCC(=O)OCNCC1COC1 34a_100015281925_100000034017 [0,0,1,1,0,0|2,0,0]=4 2335 B13R1.448 CCCC(=O)OCNC[C@@H]1CCO1 2230a_100020831831_100000034017 [0,0,1,1,0,0|2,0,0]=4 2336 B13R1.448 CCCC(=O)OCNC[C@@H]1CCO1 34a_100020831831_100000034017 [0,0,1,1,0,0|2,0,0]=4 2337 B13R1.448 CCCC(=O)OCOCC1CCC1 34a_100000760304_100000034017 [0,0,1,1,0,0|1,0,0]=3 2338 B13R1.448 CCCC(=O)OCOCC1CCO1 34a_100000039022_100000034017 [0,0,1,1,0,0|2,0,0]=4 2339 B13R1.448 CCCC(=O)OCOCC1CNC1 34a_100016987283_100000034017 [0,0,1,1,0,0|2,0,0]=4 2340 B13R1.448 CCCC(=O)OCOCC1COC1 34a_100000060846_100000034017 [0,0,1,1,0,0|2,0,0]=4 2341 B13R1.448 CCCC(=O)OCSCC1CCC1 62a_100000763275_100000034017 [0,0,1,1,0,0|1,0,0]=3 2342 B13R1.448 CCCC(=O)OCSCC1CCO1 62a_100000103362_100000034017 [0,0,1,1,0,0|2,0,0]=4 2343 B13R1.448 CCCC(=O)OCSCC1COC1 62a_100010264016_100000034017 [0,0,1,1,0,0|2,0,0]=4 2344 B13R1.448 CCOC(=O)OCSCC1CCC1 62a_100000763275_100000075025 [0,0,1,1,0,0|2,0,0]=4 2345 B13R1.453 CCCC(=O)OCNCCC1CC1 34a_100000764129_100000034017 [0,0,1,1,0,0|1,0,0]=3 2346 B13R1.453 CCCC(=O)OCOCCC1CC1 34a_100000754188_100000034017 [0,0,1,1,0,0|1,0,0]=3 2347 B13R1.453 CCCC(=O)OCOCC[C@@H]1CO1 34a_100009820653_100000034017 [0,0,1,1,0,0|2,0,0]=4 2348 B13R1.453 CCCC(=O)OCSCCC1CC1 62a_100000764125_100000034017 [0,0,1,1,0,0|1,0,0]=3 2349 B13R1.453 CCCC(=O)OCSCCC1CO1 62a_100000732470_100000034017 [0,0,1,1,0,0|2,0,0]=4 2350 B13R1.453 CCOC(=O)OCSCCC1CC1 62a_100000764125_100000075025 [0,0,1,1,0,0|2,0,0]=4 2351 B13R1.463 CCCC(=O)C1CCCCCN1C 1458a_100015187800_100000210303 [0,0,1,1,0,0|2,0,0]=4 2352 B13R1.464 CCC1CCCCN1C(=O)CCO 240690a_100000210034_100011216618 [0,0,1,1,0,0|2,0,0]=4 2353 B13R1.464 CCC1CCCCN1C(=O)CNC 2230a_106832991635_100000183412 [0,0,1,1,0,0|2,0,0]=4 2354 B13R1.464 CCC1CCCCN1C(=O)CNC 34a_100102657272_100000183412 [0,0,1,1,0,0|2,0,0]=4 2355 B13R1.464 CCC1CCCCN1C(=O)CNC 7a_106832991635_100000183412 [0,0,1,1,0,0|2,0,0]=4 2356 B13R1.464 CCC1CCCCN1C(=O)COC 11a_100000210034_100000210968 [0,0,1,1,0,0|2,0,0]=4 2357 B13R1.464 CCC1CCCCN1C(=O)COC 1626a_100000210034_100000210968 [0,0,1,1,0,0|2,0,0]=4 2358 B13R1.464 CCC1CCCCN1C(=O)COC 240690a_100000210034_100000210968 [0,0,1,1,0,0|2,0,0]=4 2359 B13R1.464 CCC1CCCCN1C(=O)COC 34a_100138415774_100000183412 [0,0,1,1,0,0|2,0,0]=4 2360 B13R1.464 CCC1CCCCN1C(=O)COC 527a_100000210034_100000210968 [0,0,1,1,0,0|2,0,0]=4 2361 B13R1.464 CCC1CCCCN1C(=O)CSC 11a_100000210034_100000184570 [0,0,1,1,0,0|2,0,0]=4 2362 B13R1.464 CCC1CCCCN1C(=O)CSC 1626a_100000210034_100000184570 [0,0,1,1,0,0|2,0,0]=4 2363 B13R1.464 CCC1CCCCN1C(=O)CSC 240690a_100000210034_100000184570 [0,0,1,1,0,0|2,0,0]=4 2364 B13R1.464 CCC1CCCCN1C(=O)CSC 527a_100000210034_100000184570 [0,0,1,1,0,0|2,0,0]=4 2365 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_100000183412_200000210301 [0,0,1,1,0,0|2,0,0]=4 2366 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_200000210301_100000183412 [0,0,1,1,0,0|2,0,0]=4 2367 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_100000183412_200025704644 [0,0,1,1,0,0|2,0,0]=4 2368 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000183412 [0,0,1,1,0,0|2,0,0]=4 2369 B13R1.464 CCCC(=O)C1CCCCN1CC 1458a_100000743832_100000210303 [0,0,1,1,0,0|2,0,0]=4 2370 B13R1.464 CCCC(=O)N1CCCCC1CC 11a_100000210034_100000211992 [0,0,1,1,0,0|1,0,0]=3 2371 B13R1.464 CCCC(=O)N1CCCCC1CC 1626a_100000210034_100000211992 [0,0,1,1,0,0|1,0,0]=3 2372 B13R1.464 CCCC(=O)N1CCCCC1CC 240690a_100000210034_100000211992 [0,0,1,1,0,0|1,0,0]=3 2373 B13R1.464 CCCC(=O)N1CCCCC1CC 527a_100000210034_100000211992 [0,0,1,1,0,0|1,0,0]=3 2374 B13R1.464 CCCC(=O)N1CCCCC1CO 240690a_100000210821_100000211992 [0,0,1,1,0,0|2,0,0]=4 2375 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000211992 [0,0,1,1,0,0|2,0,0]=4 2376 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000211992 [0,0,1,1,0,0|2,0,0]=4 2377 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000211992 [0,0,1,1,0,0|2,0,0]=4 2378 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000211992 [0,0,1,1,0,0|2,0,0]=4 2379 B13R1.464 CCNC(=O)N1CCCCC1CC 2708a_100015525214_100000210034 [0,0,1,1,0,0|2,0,0]=4 2380 B13R1.464 CCNC(=O)N1CCCCC1CC 273464a_100015525214_100000210034 [0,0,1,1,0,0|2,0,0]=4 2381 B13R1.470 CC1CCCCC1NC(=O)CCO 240690a_100000211402_100011216618 [0,0,1,1,0,0|2,0,0]=4 2382 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_100000182742_200025704644 [0,0,1,1,0,0|2,0,0]=4 2383 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_200025704644_100000182742 [0,0,1,1,0,0|2,0,0]=4 2384 B13R1.470 CCCC(=O)CC1CCCCN1C 1458a_100000211992_100015185383 [0,0,1,1,0,0|2,0,0]=4 2385 B13R1.470 CCCC(=O)CN1CCCCC1C 2230a_100000211376_100000747444 [0,0,1,1,0,0|2,0,0]=4 2386 B13R1.470 CCCC(=O)CN1CCCCC1C 269982a_100000211376_100000747444 [0,0,1,1,0,0|2,0,0]=4 2387 B13R1.470 CCCC(=O)NC1CCCCC1C 11a_100000211402_100000211992 [0,0,1,1,0,0|1,0,0]=3 2388 B13R1.470 CCCC(=O)NC1CCCCC1C 1626a_100000211402_100000211992 [0,0,1,1,0,0|1,0,0]=3 2389 B13R1.470 CCCC(=O)NC1CCCCC1C 240690a_100000211402_100000211992 [0,0,1,1,0,0|1,0,0]=3 2390 B13R1.470 CCCC(=O)NC1CCCCC1C 527a_100000211402_100000211992 [0,0,1,1,0,0|1,0,0]=3 2391 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000211992 [0,0,1,1,0,0|2,0,0]=4 2392 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000211992 [0,0,1,1,0,0|2,0,0]=4 2393 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000211992 [0,0,1,1,0,0|2,0,0]=4 2394 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000211992 [0,0,1,1,0,0|2,0,0]=4 2395 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000211992 [0,0,1,1,0,0|2,0,0]=4 2396 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000211992 [0,0,1,1,0,0|2,0,0]=4 2397 B13R1.470 CCCC(C)OC1CCCCC1C 34a_100000211207_100000766640 [0,0,1,1,0,0|1,0,1]=4 2398 B13R1.470 CCCC(C)OC1CCCCC1C 7a_100000211207_100000766640 [0,0,1,1,0,0|1,0,1]=4 2399 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100000211402_100015525214 [0,0,1,1,0,0|2,0,0]=4 2400 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100015525214_100000211402 [0,0,1,1,0,0|2,0,0]=4 2401 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100000211402_100015525214 [0,0,1,1,0,0|2,0,0]=4 2402 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100015525214_100000211402 [0,0,1,1,0,0|2,0,0]=4 2403 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100000211402_100015525214 [0,0,1,1,0,0|2,0,0]=4 2404 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100015525214_100000211402 [0,0,1,1,0,0|2,0,0]=4 2405 B13R1.470 CNCC(=O)NC1CCCCC1C 2230a_106832991635_100000182742 [0,0,1,1,0,0|2,0,0]=4 2406 B13R1.470 CNCC(=O)NC1CCCCC1C 34a_100102657272_100000182742 [0,0,1,1,0,0|2,0,0]=4 2407 B13R1.470 CNCC(=O)NC1CCCCC1C 7a_106832991635_100000182742 [0,0,1,1,0,0|2,0,0]=4 2408 B13R1.470 COCC(=O)NC1CCCCC1C 11a_100000211402_100000210968 [0,0,1,1,0,0|2,0,0]=4 2409 B13R1.470 COCC(=O)NC1CCCCC1C 1626a_100000211402_100000210968 [0,0,1,1,0,0|2,0,0]=4 2410 B13R1.470 COCC(=O)NC1CCCCC1C 240690a_100000211402_100000210968 [0,0,1,1,0,0|2,0,0]=4 2411 B13R1.470 COCC(=O)NC1CCCCC1C 34a_100138415774_100000182742 [0,0,1,1,0,0|2,0,0]=4 2412 B13R1.470 COCC(=O)NC1CCCCC1C 527a_100000211402_100000210968 [0,0,1,1,0,0|2,0,0]=4 2413 B13R1.470 CSCC(=O)NC1CCCCC1C 11a_100000211402_100000184570 [0,0,1,1,0,0|2,0,0]=4 2414 B13R1.470 CSCC(=O)NC1CCCCC1C 1626a_100000211402_100000184570 [0,0,1,1,0,0|2,0,0]=4 2415 B13R1.470 CSCC(=O)NC1CCCCC1C 240690a_100000211402_100000184570 [0,0,1,1,0,0|2,0,0]=4 2416 B13R1.470 CSCC(=O)NC1CCCCC1C 527a_100000211402_100000184570 [0,0,1,1,0,0|2,0,0]=4 2417 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_100000182742_200000210301 [0,0,1,1,0,0|2,0,0]=4 2418 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_200000210301_100000182742 [0,0,1,1,0,0|2,0,0]=4 2419 B13R1.1464 CCCC(=O)N1CCCCCCC1 11a_100000211400_100000211992 [0,0,1,1,0,0|1,0,0]=3 2420 B13R1.1464 CCCC(=O)N1CCCCCCC1 1626a_100000211400_100000211992 [0,0,1,1,0,0|1,0,0]=3 2421 B13R1.1464 CCCC(=O)N1CCCCCCC1 240690a_100000211400_100000211992 [0,0,1,1,0,0|1,0,0]=3 2422 B13R1.1464 CCCC(=O)N1CCCCCCC1 527a_100000211400_100000211992 [0,0,1,1,0,0|1,0,0]=3 2423 B13R1.1464 CCNC(=O)N1CCCCCCC1 2708a_100015525214_100000211400 [0,0,1,1,0,0|2,0,0]=4 2424 B13R1.1464 CCNC(=O)N1CCCCCCC1 273464a_100015525214_100000211400 [0,0,1,1,0,0|2,0,0]=4 2425 B13R1.1464 CNCC(=O)N1CCCCCCC1 2230a_106832991635_100000230191 [0,0,1,1,0,0|2,0,0]=4 2426 B13R1.1464 CNCC(=O)N1CCCCCCC1 34a_100102657272_100000230191 [0,0,1,1,0,0|2,0,0]=4 2427 B13R1.1464 CNCC(=O)N1CCCCCCC1 7a_106832991635_100000230191 [0,0,1,1,0,0|2,0,0]=4 2428 B13R1.1464 COCC(=O)N1CCCCCCC1 11a_100000211400_100000210968 [0,0,1,1,0,0|2,0,0]=4 2429 B13R1.1464 COCC(=O)N1CCCCCCC1 1626a_100000211400_100000210968 [0,0,1,1,0,0|2,0,0]=4 2430 B13R1.1464 COCC(=O)N1CCCCCCC1 240690a_100000211400_100000210968 [0,0,1,1,0,0|2,0,0]=4 2431 B13R1.1464 COCC(=O)N1CCCCCCC1 34a_100138415774_100000230191 [0,0,1,1,0,0|2,0,0]=4 2432 B13R1.1464 COCC(=O)N1CCCCCCC1 527a_100000211400_100000210968 [0,0,1,1,0,0|2,0,0]=4 2433 B13R1.1464 CSCC(=O)N1CCCCCCC1 11a_100000211400_100000184570 [0,0,1,1,0,0|2,0,0]=4 2434 B13R1.1464 CSCC(=O)N1CCCCCCC1 1626a_100000211400_100000184570 [0,0,1,1,0,0|2,0,0]=4 2435 B13R1.1464 CSCC(=O)N1CCCCCCC1 240690a_100000211400_100000184570 [0,0,1,1,0,0|2,0,0]=4 2436 B13R1.1464 CSCC(=O)N1CCCCCCC1 527a_100000211400_100000184570 [0,0,1,1,0,0|2,0,0]=4 2437 B13R1.1464 CSCC(=O)N1CCCCCCC1 62a_100000230191_200000210301 [0,0,1,1,0,0|2,0,0]=4 2438 B13R1.1464 CSCC(=O)N1CCCCCCC1 62a_200000210301_100000230191 [0,0,1,1,0,0|2,0,0]=4 2439 B13R1.1464 O=C(CCO)N1CCCCCCC1 240690a_100000211400_100011216618 [0,0,1,1,0,0|2,0,0]=4 2440 B13R1.1464 [13CH3]SCC(=O)N1CCCCCCC1 62a_100000230191_200025704644 [0,0,1,1,0,0|2,0,0]=4 2441 B13R1.1464 [13CH3]SCC(=O)N1CCCCCCC1 62a_200025704644_100000230191 [0,0,1,1,0,0|2,0,0]=4 2442 B13R1.1575 CCCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210303 [0,0,1,1,0,0|1,0,1]=4 2443 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [0,0,1,1,0,0|1,0,0]=3 2444 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [0,0,1,1,0,0|1,0,0]=3 2445 B13R1.1575 CCCC(=O)CN1CCCCCC1 1458a_100000740298_100000210303 [0,0,1,1,0,0|2,0,0]=4 2446 B13R1.1575 CCCC(=O)CN1CCCCCC1 2230a_100000185865_100000747444 [0,0,1,1,0,0|2,0,0]=4 2447 B13R1.1575 CCCC(=O)CN1CCCCCC1 269982a_100000185865_100000747444 [0,0,1,1,0,0|2,0,0]=4 2448 B13R1.1575 CCCC(=O)NC1CCCCCC1 11a_100000210984_100000211992 [0,0,1,1,0,0|1,0,0]=3 2449 B13R1.1575 CCCC(=O)NC1CCCCCC1 1626a_100000210984_100000211992 [0,0,1,1,0,0|1,0,0]=3 2450 B13R1.1575 CCCC(=O)NC1CCCCCC1 240690a_100000210984_100000211992 [0,0,1,1,0,0|1,0,0]=3 2451 B13R1.1575 CCCC(=O)NC1CCCCCC1 527a_100000210984_100000211992 [0,0,1,1,0,0|1,0,0]=3 2452 B13R1.1575 CCCC(C)OC1CCCCCC1 34a_100000210887_100000766640 [0,0,1,1,0,0|1,0,1]=4 2453 B13R1.1575 CCCC(C)OC1CCCCCC1 34a_100000764384_100011217769 [0,0,1,1,0,0|1,0,1]=4 2454 B13R1.1575 CCCC(C)OC1CCCCCC1 7a_100000210887_100000766640 [0,0,1,1,0,0|1,0,1]=4 2455 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [0,0,1,1,0,0|2,0,0]=4 2456 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [0,0,1,1,0,0|2,0,0]=4 2457 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [0,0,1,1,0,0|2,0,0]=4 2458 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100000210984_100015525214 [0,0,1,1,0,0|2,0,0]=4 2459 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100015525214_100000210984 [0,0,1,1,0,0|2,0,0]=4 2460 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100000210984_100015525214 [0,0,1,1,0,0|2,0,0]=4 2461 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100015525214_100000210984 [0,0,1,1,0,0|2,0,0]=4 2462 B13R1.1575 CCNC(=O)NC1CCCCCC1 512a_100015525214_100000210984 [0,0,1,1,0,0|2,0,0]=4 2463 B13R1.1575 CNCC(=O)NC1CCCCCC1 2230a_106832991635_100000183474 [0,0,1,1,0,0|2,0,0]=4 2464 B13R1.1575 CNCC(=O)NC1CCCCCC1 34a_100102657272_100000183474 [0,0,1,1,0,0|2,0,0]=4 2465 B13R1.1575 CNCC(=O)NC1CCCCCC1 7a_106832991635_100000183474 [0,0,1,1,0,0|2,0,0]=4 2466 B13R1.1575 COCC(=O)CC1CCCCCC1 1458a_100000210968_200000696569 [0,0,1,1,0,0|2,0,0]=4 2467 B13R1.1575 COCC(=O)NC1CCCCCC1 11a_100000210984_100000210968 [0,0,1,1,0,0|2,0,0]=4 2468 B13R1.1575 COCC(=O)NC1CCCCCC1 1626a_100000210984_100000210968 [0,0,1,1,0,0|2,0,0]=4 2469 B13R1.1575 COCC(=O)NC1CCCCCC1 240690a_100000210984_100000210968 [0,0,1,1,0,0|2,0,0]=4 2470 B13R1.1575 COCC(=O)NC1CCCCCC1 34a_100138415774_100000183474 [0,0,1,1,0,0|2,0,0]=4 2471 B13R1.1575 COCC(=O)NC1CCCCCC1 527a_100000210984_100000210968 [0,0,1,1,0,0|2,0,0]=4 2472 B13R1.1575 CSCC(=O)CC1CCCCCC1 1458a_100000184570_200000696569 [0,0,1,1,0,0|2,0,0]=4 2473 B13R1.1575 CSCC(=O)NC1CCCCCC1 11a_100000210984_100000184570 [0,0,1,1,0,0|2,0,0]=4 2474 B13R1.1575 CSCC(=O)NC1CCCCCC1 1626a_100000210984_100000184570 [0,0,1,1,0,0|2,0,0]=4 2475 B13R1.1575 CSCC(=O)NC1CCCCCC1 240690a_100000210984_100000184570 [0,0,1,1,0,0|2,0,0]=4 2476 B13R1.1575 CSCC(=O)NC1CCCCCC1 527a_100000210984_100000184570 [0,0,1,1,0,0|2,0,0]=4 2477 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_100000183474_200000210301 [0,0,1,1,0,0|2,0,0]=4 2478 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_200000210301_100000183474 [0,0,1,1,0,0|2,0,0]=4 2479 B13R1.1575 O=C(CCF)CC1CCCCCC1 1458a_100000685095_100011217306 [0,0,1,1,0,0|2,0,0]=4 2480 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100000685095_100000211926 [0,0,1,1,0,0|2,0,0]=4 2481 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100011216618_200000696569 [0,0,1,1,0,0|2,0,0]=4 2482 B13R1.1575 O=C(CCO)NC1CCCCCC1 240690a_100000210984_100011216618 [0,0,1,1,0,0|2,0,0]=4 2483 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_100000183474_200025704644 [0,0,1,1,0,0|2,0,0]=4 2484 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_200025704644_100000183474 [0,0,1,1,0,0|2,0,0]=4 2485 B13R1.3151 CCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210759 [0,0,1,1,0,0|1,0,0]=3 2486 B13R1.3151 CCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210759 [0,0,1,1,0,0|2,0,0]=4 2487 B13R1.3151 CCCCCCCNC(=O)C1CC1 11a_100000229938_100000210395 [0,0,1,1,0,0|1,0,0]=3 2488 B13R1.3151 CCCCCCCNC(=O)C1CC1 1626a_100000229938_100000210395 [0,0,1,1,0,0|1,0,0]=3 2489 B13R1.3151 CCCCCCCNC(=O)C1CC1 240690a_100000229938_100000210395 [0,0,1,1,0,0|1,0,0]=3 2490 B13R1.3151 CCCCCCCNC(=O)C1CC1 527a_100000229938_100000210395 [0,0,1,1,0,0|1,0,0]=3 2491 B13R1.3151 CCCCCCCNC(=O)C1CO1 11a_100000229938_100000701028 [0,0,1,1,0,0|2,0,0]=4 2492 B13R1.3151 CCCCCCCNC(=O)C1CO1 1626a_100000229938_100000701028 [0,0,1,1,0,0|2,0,0]=4 2493 B13R1.3151 CCCCCCCNC(=O)C1CO1 240690a_100000229938_100000701028 [0,0,1,1,0,0|2,0,0]=4 2494 B13R1.3151 CCCCCCCNC(=O)C1CO1 527a_100000229938_100000701028 [0,0,1,1,0,0|2,0,0]=4 2495 B13R1.3151 CCCCCCCOC(C)C1CC1 34a_100000744524_100000210614 [0,0,1,1,0,0|1,0,1]=4 2496 B13R1.3151 CCCCCCCOC(C)C1CC1 7a_100000744524_100000210614 [0,0,1,1,0,0|1,0,1]=4 2497 B13R1.3151 CCCCCCNCC(=O)C1CC1 2230a_100000210581_100000746382 [0,0,1,1,0,0|2,0,0]=4 2498 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000210259_100000746382 [0,0,1,1,0,0|2,0,0]=4 2499 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000686663_100000210314 [0,0,1,1,0,0|2,0,0]=4 2500 B13R1.3151 CCCCCCOCC(=O)C1CC1 7a_100000210259_100000746382 [0,0,1,1,0,0|2,0,0]=4 2501 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000210314_100000746382 [0,0,1,1,0,0|2,0,0]=4 2502 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000746382_100000210757 [0,0,1,1,0,0|2,0,0]=4 2503 B13R1.3151 CCCCCNCOC(=O)C1CC1 2230a_100000209983_100000140896 [0,0,1,1,0,0|1,0,0]=3 2504 B13R1.3151 CCCCCOCOC(=O)C1CC1 34a_100000210253_100000140896 [0,0,1,1,0,0|1,0,0]=3 2505 B13R1.3151 CCCCCSCOC(=O)C1CC1 62a_100000140896_100000210326 [0,0,1,1,0,0|1,0,0]=3 2506 B13R1.3151 CCCCCSCOC(=O)C1CC1 62a_100000210326_100000140896 [0,0,1,1,0,0|1,0,0]=3 2507 B13R1.3151 CCCCSCCNC(=O)C1CC1 11a_100025743550_100000210395 [0,0,1,1,0,0|2,0,0]=4 2508 B13R1.3151 CCCCSCCNC(=O)C1CC1 1626a_100025743550_100000210395 [0,0,1,1,0,0|2,0,0]=4 2509 B13R1.3151 CCCCSCCNC(=O)C1CC1 240690a_100025743550_100000210395 [0,0,1,1,0,0|2,0,0]=4 2510 B13R1.3151 CCCCSCCNC(=O)C1CC1 527a_100025743550_100000210395 [0,0,1,1,0,0|2,0,0]=4 2511 B13R1.3151 CCCOCCCNC(=O)C1CC1 1626a_100011217757_100000210395 [0,0,1,1,0,0|2,0,0]=4 2512 B13R1.3151 CCCOCCCNC(=O)C1CC1 240690a_100011217757_100000210395 [0,0,1,1,0,0|2,0,0]=4 2513 B13R1.3151 CCCOCCCNC(=O)C1CC1 527a_100011217757_100000210395 [0,0,1,1,0,0|2,0,0]=4 2514 B13R1.3151 CCOCCNCOC(=O)C1CC1 2230a_102516460346_100000140896 [0,0,1,1,0,0|2,0,0]=4 2515 B13R1.3151 CCOCCNCOC(=O)C1CC1 34a_102516460346_100000140896 [0,0,1,1,0,0|2,0,0]=4 2516 B13R1.3151 CCOCCOCOC(=O)C1CC1 34a_100000210136_100000140896 [0,0,1,1,0,0|2,0,0]=4 2517 B13R1.3151 CCOCCSCOC(=O)C1CC1 62a_100000140896_100011215890 [0,0,1,1,0,0|2,0,0]=4 2518 B13R1.3151 CCOCCSCOC(=O)C1CC1 62a_100000210147_100000140896 [0,0,1,1,0,0|2,0,0]=4 2519 B13R1.3151 CCSCCNCOC(=O)C1CC1 2230a_100000106463_100000140896 [0,0,1,1,0,0|2,0,0]=4 2520 B13R1.3151 CCSCCOCOC(=O)C1CC1 34a_100000212035_100000140896 [0,0,1,1,0,0|2,0,0]=4 2521 B13R1.3151 CCSCCSCOC(=O)C1CC1 62a_100000140896_100000757381 [0,0,1,1,0,0|2,0,0]=4 2522 B13R1.3151 CCSCCSCOC(=O)C1CC1 62a_100000757381_100000140896 [0,0,1,1,0,0|2,0,0]=4 2523 B13R1.3151 CNCCCOCOC(=O)C1CC1 34a_100000213112_100000140896 [0,0,1,1,0,0|2,0,0]=4 2524 B13R1.3151 COCCCCCCC(=O)C1CC1 1458a_100000210395_100011998445 [0,0,1,1,0,0|2,0,0]=4 2525 B13R1.3151 COCCCCCNC(=O)C1CC1 11a_100000747528_100000210395 [0,0,1,1,0,0|2,0,0]=4 2526 B13R1.3151 COCCCCCNC(=O)C1CC1 1626a_100000747528_100000210395 [0,0,1,1,0,0|2,0,0]=4 2527 B13R1.3151 COCCCCCNC(=O)C1CC1 240690a_100000747528_100000210395 [0,0,1,1,0,0|2,0,0]=4 2528 B13R1.3151 COCCCCCNC(=O)C1CC1 527a_100000747528_100000210395 [0,0,1,1,0,0|2,0,0]=4 2529 B13R1.3151 COCCCNCOC(=O)C1CC1 34a_100150723488_100000140896 [0,0,1,1,0,0|2,0,0]=4 2530 B13R1.3151 COCCCOCOC(=O)C1CC1 34a_100000740835_100000140896 [0,0,1,1,0,0|2,0,0]=4 2531 B13R1.3151 COCCCSCOC(=O)C1CC1 62a_100000140896_100000709357 [0,0,1,1,0,0|2,0,0]=4 2532 B13R1.3151 COCCCSCOC(=O)C1CC1 62a_100000709357_100000140896 [0,0,1,1,0,0|2,0,0]=4 2533 B13R1.3151 CSCCCNCOC(=O)C1CC1 2230a_100000749238_100000140896 [0,0,1,1,0,0|2,0,0]=4 2534 B13R1.3151 CSCCCOCOC(=O)C1CC1 34a_100000690336_100000140896 [0,0,1,1,0,0|2,0,0]=4 2535 B13R1.3151 NCCCCOCOC(=O)C1CC1 34a_100000750430_100000140896 [0,0,1,1,0,0|2,0,0]=4 2536 B13R1.3151 O=C(CCCCCCCO)C1CC1 1458a_100000210395_100000760002 [0,0,1,1,0,0|2,0,0]=4 2537 B13R1.3151 O=C(NCCCCCCO)C1CC1 240690a_100000686447_100000210395 [0,0,1,1,0,0|2,0,0]=4 2538 B13R1.3151 O=C(NCCCCCCO)C1CC1 527a_100000686447_100000210395 [0,0,1,1,0,0|2,0,0]=4 2539 B13R1.3151 O=C(OCNCCCCO)C1CC1 2230a_100000750430_100000140896 [0,0,1,1,0,0|2,0,0]=4 2540 B13R1.3151 O=C(OCNCCCCO)C1CC1 34a_100000750430_100000140896 [0,0,1,1,0,0|2,0,0]=4 2541 B13R1.3151 O=C(OCOCCCCBr)C1CC1 34a_100011216708_100000140896 [0,0,1,1,0,0|2,0,0]=4 2542 B13R1.3151 O=C(OCOCCCCCl)C1CC1 34a_100000210776_100000140896 [0,0,1,1,0,0|2,0,0]=4 2543 B13R1.3151 O=C(OCOCCCCF)C1CC1 34a_100011995726_100000140896 [0,0,1,1,0,0|2,0,0]=4 2544 B13R1.3151 O=C(OCOCCCCI)C1CC1 34a_200012148704_100000140896 [0,0,1,1,0,0|2,0,0]=4 2545 B13R1.3151 O=C(OCSCCCCF)C1CC1 62a_100000140896_100000729493 [0,0,1,1,0,0|2,0,0]=4 2546 B13R1.3151 O=C(OCSCCCCF)C1CC1 62a_100000729493_100000140896 [0,0,1,1,0,0|2,0,0]=4 2547 B13R1.3151 O=C(OCSCCCCO)C1CC1 62a_100000140896_100000210776 [0,0,1,1,0,0|2,0,0]=4 2548 B13R1.3151 O=C(OCSCCCCO)C1CC1 62a_100000210776_100000140896 [0,0,1,1,0,0|2,0,0]=4 2549 B13R1.3516 CCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210211 [0,0,1,1,0,0|2,0,0]=4 2550 B13R1.3516 CCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210211 [0,0,1,1,0,0|2,0,0]=4 2551 B13R1.3516 CCCCN1CCNC(=O)C1CC 34a_100000187962_100000210210 [0,0,1,1,0,0|2,0,0]=4 2552 B13R1.3673 CCCCCCCOC1(CCC1)C 34a_100000759064_100000210614 [0,0,1,1,0,0|1,0,1]=4 2553 B13R1.3673 CCCCCCCOC1(CCC1)C 7a_100000759064_100000210614 [0,0,1,1,0,0|1,0,1]=4 2554 B13R1.201 CC1CCCCC1N(C)CC(=O)N 270004a_100000739694_100000210921 [0,0,1,1,0,0|2,0,0]=4 2555 B13R1.201 CN(CC(=O)O)C1CCCCC1F 269956a_100000746989_100015423560 [0,0,1,1,0,0|2,0,0]=4 2556 B13R1.201 CN(CC(=O)O)C1CCCCC1O 269956a_100000746989_100000038908 [0,0,1,1,0,0|2,0,0]=4 2557 B13R1.348 CN(CC(=O)N)CC1CCCCC1 2230a_100000736448_100000747473 [0,0,1,1,0,0|2,0,0]=4 2558 B13R1.348 CN(CC(=O)N)CC1CCCCC1 2230a_100000739694_100000211423 [0,0,1,1,0,0|2,0,0]=4 2559 B13R1.348 CN(CC(=O)N)CC1CCCCC1 269982a_100000736448_100000187820 [0,0,1,1,0,0|2,0,0]=4 2560 B13R1.348 CN(CC(=O)N)CC1CCCCC1 34a_100000736448_100000187820 [0,0,1,1,0,0|2,0,0]=4 2561 B13R1.348 CN(CC(=O)O)CC1CCCCC1 269956a_100000746989_100000211423 [0,0,1,1,0,0|1,0,0]=3 2562 B13R1.348 CN(CC(=O)O)CC1CCCCO1 269956a_100000746989_100000211543 [0,0,1,1,0,0|2,0,0]=4 2563 B13R1.348 CN(CC(=O)O)CC1CCCOC1 269956a_100000746989_100000741521 [0,0,1,1,0,0|2,0,0]=4 2564 B13R1.348 CN(CC(=O)O)CC1CCOCC1 269956a_100000746989_100000754603 [0,0,1,1,0,0|2,0,0]=4 2565 B13R1.348 CN(CC(=O)[O-])CC1CCCCC1 269982a_100000736448_100020667443 [0,0,1,1,0,0|1,0,1]=4 2566 B13R1.348 CN(CC(=O)[O-])CC1CCCCC1 34a_100000736448_100020667443 [0,0,1,1,0,0|1,0,1]=4 2567 B13R1.373 CCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210207 [0,0,1,1,0,0|1,0,0]=3 2568 B13R1.373 CCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210207 [0,0,1,1,0,0|2,0,0]=4 2569 B13R1.373 COCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000766300 [0,0,1,1,0,0|2,0,0]=4 2570 B13R1.373 CSCN1CCCC(C1)CC(=O)O 269956a_100015207179_100011218213 [0,0,1,1,0,0|2,0,0]=4 2571 B13R1.373 O=C(O)CC1CCCN(C1)CCF 269956a_100015207179_100011217306 [0,0,1,1,0,0|2,0,0]=4 2572 B13R1.373 O=C(O)CC1CCCN(C1)CCO 269956a_100015207179_100000211926 [0,0,1,1,0,0|2,0,0]=4 2573 B13R1.498 CCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210211 [0,0,1,1,0,0|1,0,0]=3 2574 B13R1.498 CCOCN1CCC(C1)CC(=O)O 269956a_100000719201_100000739092 [0,0,1,1,0,0|2,0,0]=4 2575 B13R1.498 COCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000233755 [0,0,1,1,0,0|2,0,0]=4 2576 B13R1.498 CSCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000212216 [0,0,1,1,0,0|2,0,0]=4 2577 B13R1.498 O=C(O)CC1CCN(C1)CCCF 269956a_100000719201_100011934791 [0,0,1,1,0,0|2,0,0]=4 2578 B13R1.498 O=C(O)CC1CCN(C1)CCCO 269956a_100000719201_100011215043 [0,0,1,1,0,0|2,0,0]=4 2579 B13R1.593 CN(CCC1CCCC1)CC(=O)N 2230a_100000739694_100000760354 [0,0,1,1,0,0|2,0,0]=4 2580 B13R1.593 CN(CCC1CCCC1)CC(=O)O 269956a_100000746989_100000760354 [0,0,1,1,0,0|1,0,0]=3 2581 B13R1.593 CN(CCN1CCCC1)CC(=O)O 269956a_100000746989_100000004467 [0,0,1,1,0,0|2,0,0]=4 2582 B13R1.593 O=C(O)CC(O)CNC1CCCC1 269956a_100011218706_100000179811 [0,0,1,1,0,0|2,0,0]=4 2583 B13R1.1107 NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747473 [0,0,1,1,0,0|2,0,0]=4 2584 B13R1.1107 NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000187820 [0,0,1,1,0,0|2,0,0]=4 2585 B13R1.1107 NC(=O)CN1CCCCCCCC1 34a_100000039187_100000187820 [0,0,1,1,0,0|2,0,0]=4 2586 B13R1.1107 O=C([O-])CN1CCCCCCCC1 269982a_100000039187_100020667443 [0,0,1,1,0,0|1,0,1]=4 2587 B13R1.1107 O=C([O-])CN1CCCCCCCC1 34a_100000039187_100020667443 [0,0,1,1,0,0|1,0,1]=4 2588 B13R1.1154 CCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210326 [0,0,1,1,0,0|1,0,0]=3 2589 B13R1.1154 CCOCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210147 [0,0,1,1,0,0|2,0,0]=4 2590 B13R1.1154 CCSCCN1CC(C1)CC(=O)O 269956a_100016993960_100000757381 [0,0,1,1,0,0|2,0,0]=4 2591 B13R1.1154 COCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000740836 [0,0,1,1,0,0|2,0,0]=4 2592 B13R1.1154 O=C(O)CC1CN(C1)CCCCF 269956a_100016993960_100000729493 [0,0,1,1,0,0|2,0,0]=4 2593 B13R1.1154 O=C(O)CC1CN(C1)CCCCO 269956a_100016993960_100000210776 [0,0,1,1,0,0|2,0,0]=4 2594 B13R1.2027 O=C(O)CC(O)CNCC1CCC1 269956a_100011218706_100000763275 [0,0,1,1,0,0|2,0,0]=4 2595 B13R1.2028 O=C(O)CC(O)CNCCC1CC1 269956a_100011218706_100000694398 [0,0,1,1,0,0|2,0,0]=4 2596 B13R1.2800 CCC1CCCC1N(C)CC(=O)N 270004a_100000739694_100000749056 [0,0,1,1,0,0|2,0,0]=4 2597 B13R1.7456 CC(=O)CC(C)N1CCCCCC1 1458a_100015185830_200000210301 [0,0,1,1,0,0|2,0,0]=4 2598 B13R1.7456 CC(CC(=O)[13CH3])N1CCCCCC1 1458a_100015185830_200025704644 [0,0,1,1,0,0|2,0,0]=4 2599 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 2230a_100015185097_100000747473 [0,0,1,1,0,0|2,0,0]=4 2600 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 269982a_100015185097_100000187820 [0,0,1,1,0,0|2,0,0]=4 2601 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 270004a_100000739694_100000210131 [0,0,1,1,0,0|2,0,0]=4 2602 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 34a_100015185097_100000187820 [0,0,1,1,0,0|2,0,0]=4 2603 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_100000746989_100011217769 [0,0,1,1,0,0|1,0,0]=3 2604 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_200011259081_200000210301 [0,0,1,1,0,0|1,0,0]=3 2605 B13R1.7456 CN(CC(=O)[O-])C1CCCCCC1 269982a_100015185097_100020667443 [0,0,1,1,0,0|1,0,1]=4 2606 B13R1.7456 CN(CC(=O)[O-])C1CCCCCC1 34a_100015185097_100020667443 [0,0,1,1,0,0|1,0,1]=4 2607 B13R1.7456 [13CH3]N(CC(=O)O)C1CCCCCC1 269956a_200011259081_200025704644 [0,0,1,1,0,0|1,0,0]=3 2608 B13R1.2919 CCCCCCN(C)C1CC(=O)C1 269982a_106256046315_100009894365 [0,0,1,1,0,0|2,0,0]=4 2609 B13R1.142 CC(=O)NC1CCC(CC1)CCO 1626a_100000070672_100015343762 [0,0,1,1,0,0|2,0,0]=4 2610 B13R1.142 CC(=O)NC1CCC(CC1)CCO 240690a_100000070672_100015343762 [0,0,1,1,0,0|2,0,0]=4 2611 B13R1.142 CC(=O)NC1CCC(CC1)CCO 527a_100000070672_100103153847 [0,0,1,1,0,0|2,0,0]=4 2612 B13R1.142 CCCC1CCC(CC1)NC(=O)C 11a_100011234333_100015343762 [0,0,1,1,0,0|1,0,0]=3 2613 B13R1.142 CCCC1CCC(CC1)NC(=O)C 1626a_100011234333_100015343762 [0,0,1,1,0,0|1,0,0]=3 2614 B13R1.142 CCCC1CCC(CC1)NC(=O)C 240690a_100011234333_100015343762 [0,0,1,1,0,0|1,0,0]=3 2615 B13R1.142 CCCC1CCC(CC1)NC(=O)C 527a_100011234333_100103153847 [0,0,1,1,0,0|1,0,0]=3 2616 B13R1.142 CCCC1CCC(CC1)OC(C)C 34a_100011218949_100000210206 [0,0,1,1,0,0|1,0,1]=4 2617 B13R1.142 CCCC1CCC(CC1)OC(C)C 7a_100011218949_100000210206 [0,0,1,1,0,0|1,0,1]=4 2618 B13R1.142 CCCN1CCC(CC1)CC(=O)C 1458a_200015184988_200000210301 [0,0,1,1,0,0|2,0,0]=4 2619 B13R1.142 CCCN1CCC(CC1)CC(=O)[13CH3] 1458a_200015184988_200025704644 [0,0,1,1,0,0|2,0,0]=4 2620 B13R1.142 CCCN1CCC(CC1)NC(=O)C 11a_100020645539_100015343762 [0,0,1,1,0,0|2,0,0]=4 2621 B13R1.142 CCCN1CCC(CC1)NC(=O)C 1626a_100020645539_100015343762 [0,0,1,1,0,0|2,0,0]=4 2622 B13R1.142 CCCN1CCC(CC1)NC(=O)C 2230a_100000747453_100000210303 [0,0,1,1,0,0|2,0,0]=4 2623 B13R1.142 CCCN1CCC(CC1)NC(=O)C 240690a_100020645539_100015343762 [0,0,1,1,0,0|2,0,0]=4 2624 B13R1.142 CCCN1CCC(CC1)NC(=O)C 269982a_100000747453_100000210303 [0,0,1,1,0,0|2,0,0]=4 2625 B13R1.142 CCCN1CCC(CC1)NC(=O)C 527a_100020645539_100103153847 [0,0,1,1,0,0|2,0,0]=4 2626 B13R1.142 CCNC1CCC(CC1)NC(=O)C 270004a_100015525214_100000735651 [0,0,1,1,0,0|2,0,0]=4 2627 B13R1.142 CCNC1CCC(CC1)OC(=O)C 270004a_100015525214_200000086378 [0,0,1,1,0,0|1,0,0]=3 2628 B13R1.142 CCOC1CCC(CC1)NC(=O)C 34a_100000161027_100000210202 [0,0,1,1,0,0|2,0,0]=4 2629 B13R1.142 CCOC1CCC(CC1)NC(=O)C 7a_100000161027_100000210202 [0,0,1,1,0,0|2,0,0]=4 2630 B13R1.713 CC(=O)N[C@@H](CO)C1CCCCC1 240690a_100009817630_100015343762 [0,0,1,1,0,0|2,0,0]=4 2631 B13R1.713 CC(=O)N[C@@H](CO)C1CCCCC1 527a_100009817630_100103153847 [0,0,1,1,0,0|2,0,0]=4 2632 B13R1.713 CCC(OC(C)C)C1CCCCC1 34a_100011215090_100000210206 [0,0,1,1,0,0|1,0,1]=4 2633 B13R1.713 CCC(OC(C)C)C1CCCCC1 7a_100011215090_100000210206 [0,0,1,1,0,0|1,0,1]=4 2634 B13R1.713 CC[C@H](NC(=O)C)C1CCCCC1 11a_100020639352_100015343762 [0,0,1,1,0,0|1,0,0]=3 2635 B13R1.713 CC[C@H](NC(=O)C)C1CCCCC1 1626a_100020639352_100015343762 [0,0,1,1,0,0|1,0,0]=3 2636 B13R1.713 CC[C@H](NC(=O)C)C1CCCCC1 240690a_100020639352_100015343762 [0,0,1,1,0,0|1,0,0]=3 2637 B13R1.713 CC[C@H](NC(=O)C)C1CCCCC1 527a_100020639352_100103153847 [0,0,1,1,0,0|1,0,0]=3 2638 B13R1.2937 CCCCCCC(CC)OC1CC1 34a_100011215785_100000211595 [0,0,1,1,0,0|1,0,1]=4 2639 B13R1.405 CC(C)N(CC=O)C1CCCCC1 2230a_100025770988_200015260668 [0,0,1,1,0,0|2,0,0]=4 2640 B13R1.405 CC(C)N(CC=O)C1CCCCC1 269982a_100025770988_200015260668 [0,0,1,1,0,0|2,0,0]=4 2641 B13R1.405 CC(C)N(CC=O)C1CCCCC1 34a_100025770988_200009817547 [0,0,1,1,0,0|2,0,0]=4 2642 B13R2.142 O=C1CCC(C1)OC2CCCC2 34a_100012614533_100000179811 [1,0,0,1,0,0|2,0,0]=4 2643 B13R2.142 O=C1CC[C@H](N1)CN2CCCC2 2230a_100000188435_100015189358 [1,0,0,1,0,0|2,0,0]=4 2644 B13R2.142 O=C1CC[C@H](N1)CN2CCCC2 269982a_100000188435_100015189358 [1,0,0,1,0,0|2,0,0]=4 2645 B13R2.142 O=C1NCC(O1)CN2CCCC2 2230a_100000188435_100000181169 [1,0,0,1,0,0|2,0,0]=4 2646 B13R2.142 O=C1NCC(O1)CN2CCCC2 269982a_100000188435_100000181169 [1,0,0,1,0,0|2,0,0]=4 2647 B13R2.142 O=C1OCC(O1)CN2CCCC2 269982a_100000188435_100000073702 [1,0,0,1,0,0|2,0,0]=4 2648 B13R2.142 O=C1OCC(O1)NC2CCCC2 34a_100000211070_100000032252 [1,0,0,1,0,0|2,0,0]=4 2649 B13R2.142 O=C1OCC(O1)OC2CCCC2 34a_100000210269_100000032252 [1,0,0,1,0,0|2,0,0]=4 2650 B13R2.142 O=C1OCC(O1)SC2CCCC2 62a_100011217020_100000032252 [1,0,0,1,0,0|2,0,0]=4 2651 B13R2.143 CC1CC1COC2COC(=O)O2 34a_100000744939_100000032252 [1,0,0,1,0,0|2,0,0]=4 2652 B13R2.144 C[C@@H]1CCCN1C2COC(=O)O2 34a_100015189458_100000032252 [1,0,0,1,0,0|2,0,0]=4 2653 B13R2.145 CC1CCN1CC2CNC(=O)O2 269982a_100000755817_100000181169 [1,0,0,1,0,0|2,0,0]=4 2654 B13R2.145 CC1CCN1CC2CNC(=O)O2 34a_100000755817_100000181169 [1,0,0,1,0,0|2,0,0]=4 2655 B13R2.145 CC1CCN1CC2COC(=O)O2 269982a_100000755817_100000073702 [1,0,0,1,0,0|2,0,0]=4 2656 B13R2.145 CC1CCN1CC2COC(=O)O2 34a_100000755817_100000073702 [1,0,0,1,0,0|2,0,0]=4 2657 B13R2.145 CC1CCN1C[C@@H]2CCC(=O)N2 269982a_100000755817_100015189358 [1,0,0,1,0,0|2,0,0]=4 2658 B13R2.2973 O=C1CCC(C1)OCCC2CC2 34a_100012614533_100000694398 [1,0,0,1,0,0|2,0,0]=4 2659 B13R2.2973 O=C1CCC(N1)COCC2CC2 34a_100000737831_100000742324 [1,0,0,1,0,0|2,0,0]=4 2660 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 2230a_100015423886_100000742324 [1,0,0,1,0,0|2,0,0]=4 2661 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 269862a_100015423886_100000741477 [1,0,0,1,0,0|2,0,0]=4 2662 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 34a_100015423886_100000742324 [1,0,0,1,0,0|2,0,0]=4 2663 B13R2.2973 O=C1CC[C@H](N1)CNCC2CC2 2230a_100000735609_100015189358 [1,0,0,1,0,0|2,0,0]=4 2664 B13R2.2973 O=C1CC[C@H](N1)CSCC2CC2 62a_100000756562_100015189358 [1,0,0,1,0,0|2,0,0]=4 2665 B13R2.2973 O=C1CC[C@H](N1)CSCC2CC2 62a_100015189358_100000742324 [1,0,0,1,0,0|2,0,0]=4 2666 B13R2.2973 O=C1NCC(O1)CNCC2CC2 2230a_100000735609_100000181169 [1,0,0,1,0,0|2,0,0]=4 2667 B13R2.2973 O=C1NCC(O1)CNCC2CC2 34a_100000735609_100000181169 [1,0,0,1,0,0|2,0,0]=4 2668 B13R2.2973 O=C1NCC(O1)COCC2CC2 34a_100000211283_100000181169 [1,0,0,1,0,0|2,0,0]=4 2669 B13R2.2973 O=C1NCC(O1)COCC2CC2 34a_100011315639_100000742324 [1,0,0,1,0,0|2,0,0]=4 2670 B13R2.2973 O=C1NCC(O1)CSCC2CC2 62a_100000181169_100000742324 [1,0,0,1,0,0|2,0,0]=4 2671 B13R2.2973 O=C1NCC(O1)CSCC2CC2 62a_100000756562_100000181169 [1,0,0,1,0,0|2,0,0]=4 2672 B13R2.2973 O=C1OCC(O1)CNCC2CC2 34a_100000735609_100000073702 [1,0,0,1,0,0|2,0,0]=4 2673 B13R2.2973 O=C1OCC(O1)COCC2CC2 34a_100000211283_100000073702 [1,0,0,1,0,0|2,0,0]=4 2674 B13R2.2973 O=C1OCC(O1)CSCC2CC2 62a_100000073702_100000742324 [1,0,0,1,0,0|2,0,0]=4 2675 B13R2.2973 O=C1OCC(O1)CSCC2CC2 62a_100000756562_100000073702 [1,0,0,1,0,0|2,0,0]=4 2676 B13R2.2973 O=C1OCC(O1)NCCC2CC2 34a_100000764129_100000032252 [1,0,0,1,0,0|2,0,0]=4 2677 B13R2.2973 O=C1OCC(O1)OCCC2CC2 34a_100000754188_100000032252 [1,0,0,1,0,0|2,0,0]=4 2678 B13R2.2973 O=C1OCC(O1)SCCC2CC2 62a_100000764125_100000032252 [1,0,0,1,0,0|2,0,0]=4 2679 B13R2.2974 O=C1CCC(C1)OCC2CCC2 34a_100012614533_100000763275 [1,0,0,1,0,0|2,0,0]=4 2680 B13R2.2974 O=C1CCC(N1)COC2CCC2 34a_100000737831_100000749161 [1,0,0,1,0,0|2,0,0]=4 2681 B13R2.2974 O=C1CC[C@@H](N1)CNC2CCC2 270004a_100015423886_100000241760 [1,0,0,1,0,0|2,0,0]=4 2682 B13R2.2974 O=C1CC[C@@H](N1)CNC2CCC2 34a_100015423886_100000749161 [1,0,0,1,0,0|2,0,0]=4 2683 B13R2.2974 O=C1CC[C@H](N1)CNC2CCC2 2230a_100000749019_100015189358 [1,0,0,1,0,0|2,0,0]=4 2684 B13R2.2974 O=C1CC[C@H](N1)CSC2CCC2 62a_100015189358_100000749161 [1,0,0,1,0,0|2,0,0]=4 2685 B13R2.2974 O=C1NCC(O1)CNC2CCC2 2230a_100000749019_100000181169 [1,0,0,1,0,0|2,0,0]=4 2686 B13R2.2974 O=C1NCC(O1)CNC2CCC2 34a_100000749019_100000181169 [1,0,0,1,0,0|2,0,0]=4 2687 B13R2.2974 O=C1NCC(O1)COC2CCC2 34a_100000748187_100000181169 [1,0,0,1,0,0|2,0,0]=4 2688 B13R2.2974 O=C1NCC(O1)COC2CCC2 34a_100011315639_100000749161 [1,0,0,1,0,0|2,0,0]=4 2689 B13R2.2974 O=C1NCC(O1)CSC2CCC2 62a_100000181169_100000749161 [1,0,0,1,0,0|2,0,0]=4 2690 B13R2.2974 O=C1OCC(O1)CNC2CCC2 34a_100000749019_100000073702 [1,0,0,1,0,0|2,0,0]=4 2691 B13R2.2974 O=C1OCC(O1)COC2CCC2 34a_100000748187_100000073702 [1,0,0,1,0,0|2,0,0]=4 2692 B13R2.2974 O=C1OCC(O1)CSC2CCC2 62a_100000073702_100000749161 [1,0,0,1,0,0|2,0,0]=4 2693 B13R2.2974 O=C1OCC(O1)NCC2CCC2 34a_100000738700_100000032252 [1,0,0,1,0,0|2,0,0]=4 2694 B13R2.2974 O=C1OCC(O1)OCC2CCC2 34a_100000760304_100000032252 [1,0,0,1,0,0|2,0,0]=4 2695 B13R2.2974 O=C1OCC(O1)SCC2CCC2 62a_100000763275_100000032252 [1,0,0,1,0,0|2,0,0]=4 2696 B13R2.4014 CN1CC(=O)NC12CCCCC2 2230a_200015869604_200000210301 [1,0,0,1,0,0|2,0,0]=4 2697 B13R2.4014 CN1CC(=O)NC12CCCCC2 34a_200015869604_200000210301 [1,0,0,1,0,0|2,0,0]=4 2698 B13R2.4014 [13CH3]N1CC(=O)NC12CCCCC2 2230a_200015869604_200025704644 [1,0,0,1,0,0|2,0,0]=4 2699 B13R2.4014 [13CH3]N1CC(=O)NC12CCCCC2 34a_200015869604_200025704644 [1,0,0,1,0,0|2,0,0]=4 2700 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,0,1,0,1,0|2,0,0]=4 2701 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,0,1,0,1,0|2,0,0]=4 2702 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,0,1,0,1,0|1,0,0]=3 2703 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,0,1,0,1,0|2,0,0]=4 2704 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,0,1,0,1,0|2,0,0]=4 2705 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,0,1,0,1,0|2,0,0]=4 2706 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,0,1,0,1,0|2,0,0]=4 2707 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,0,1,0,1,0|2,0,0]=4 2708 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,0,1,0,1,0|2,0,0]=4 2709 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,0,1,0,1,0|1,0,0]=3 2710 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,0,1,0,1,0|2,0,0]=4 2711 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,0,1,0,1,0|2,0,0]=4 2712 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,0,1,0,1,0|2,0,0]=4 2713 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,0,1,0,1,0|2,0,0]=4 2714 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,0,1,0,1,0|2,0,0]=4 2715 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,0,1,0,1,0|2,0,0]=4 2716 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,0,1,0,1,0|1,0,1]=4 2717 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,0,1,0,1,0|2,0,0]=4 2718 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,0,1,0,1,0|2,0,0]=4 2719 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,0,1,0,1,0|2,0,0]=4 2720 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,0,1,0,1,0|2,0,0]=4 2721 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,0,1,0,1,0|2,0,0]=4 2722 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,0,1,0,1,0|2,0,0]=4 2723 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,0,1,0,1,0|1,0,0]=3 2724 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,0,1,0,1,0|2,0,0]=4 2725 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,0,1,0,1,0|2,0,0]=4 2726 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,0,1,0,1,0|2,0,0]=4 2727 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,0,1,0,1,0|2,0,0]=4 2728 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,0,1,0,1,0|2,0,0]=4 2729 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,0,1,0,1,0|2,0,0]=4 2730 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,0,1,0,1,0|2,0,0]=4 2731 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,0,1,0,1,0|2,0,0]=4 2732 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,0,1,0,1,0|2,0,0]=4 2733 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,0,1,0,1,0|2,0,0]=4 2734 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,0,1,0,1,0|2,0,0]=4 2735 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,0,1,0,1,0|2,0,0]=4 2736 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [1,0,0,0,1,0|2,0,0]=4 2737 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [1,0,0,0,1,0|2,0,0]=4 2738 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [1,0,0,0,1,0|2,0,0]=4 2739 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [1,0,0,0,1,0|2,0,0]=4 2740 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [1,0,0,0,1,0|2,0,0]=4 2741 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [1,0,0,0,1,0|2,0,0]=4 2742 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [1,0,0,0,1,0|2,0,0]=4 2743 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [1,0,0,0,1,0|1,0,0]=3 2744 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [1,0,0,0,1,0|1,0,0]=3 2745 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [1,0,0,0,1,0|1,0,0]=3 2746 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [1,0,0,0,1,0|1,0,0]=3 2747 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [1,0,0,0,1,0|1,0,0]=3 2748 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [1,0,0,0,1,0|1,0,0]=3 2749 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [1,0,0,0,1,0|2,0,0]=4 2750 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [1,0,0,0,1,0|2,0,0]=4 2751 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [1,0,0,0,1,0|2,0,0]=4 2752 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [1,0,0,0,1,0|2,0,0]=4 2753 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [1,0,0,0,1,0|2,0,0]=4 2754 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [1,0,0,0,1,0|2,0,0]=4 2755 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [1,0,0,0,1,0|2,0,0]=4 2756 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [1,0,0,0,1,0|2,0,0]=4 2757 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [1,0,0,0,1,0|2,0,0]=4 2758 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [1,0,0,0,1,0|2,0,0]=4 2759 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [1,0,0,0,1,0|2,0,0]=4 2760 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [1,0,0,0,1,0|2,0,0]=4 2761 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [1,0,0,0,1,0|2,0,0]=4 2762 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [1,0,0,0,1,0|2,0,0]=4 2763 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [1,0,0,0,1,0|2,0,0]=4 2764 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [1,0,0,0,1,0|2,0,0]=4 2765 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [1,0,0,0,1,0|2,0,0]=4 2766 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [1,0,0,0,1,0|2,0,0]=4 2767 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [1,0,0,0,1,0|2,0,0]=4 2768 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [1,0,0,0,1,0|2,0,0]=4 2769 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [1,0,0,0,1,0|2,0,0]=4 2770 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [1,0,0,0,1,0|2,0,0]=4 2771 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [1,0,0,0,1,0|2,0,0]=4 2772 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [1,0,0,0,1,0|2,0,0]=4 2773 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [1,0,0,0,1,0|2,0,0]=4 2774 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [1,0,0,0,1,0|2,0,0]=4 2775 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [1,0,0,0,1,0|2,0,0]=4 2776 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [1,0,0,0,1,0|2,0,0]=4 2777 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [1,0,0,0,1,0|2,0,0]=4 2778 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [1,0,0,0,1,0|2,0,0]=4 2779 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [1,0,0,0,1,0|2,0,0]=4 2780 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [1,0,0,0,1,0|2,0,0]=4 2781 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [1,0,0,0,1,0|2,0,0]=4 2782 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [1,0,0,0,1,0|2,0,0]=4 2783 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [1,0,0,0,1,0|2,0,0]=4 2784 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [1,0,0,0,1,0|2,0,0]=4 2785 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [1,0,0,0,1,0|2,0,0]=4 2786 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_100000210245_200011218727 [0,0,1,0,0,1|2,0,0]=4 2787 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_200011215852_100000748629 [0,0,1,0,0,1|2,0,0]=4 2788 B13R0.154 C=C(C)COC(C)CCCCCCC 7a_200011215852_100000748629 [0,0,1,0,0,1|2,0,0]=4 2789 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_100000748629_200011218727 [0,0,1,0,0,1|2,0,0]=4 2790 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_200011218727_100000211660 [0,0,1,0,0,1|2,0,0]=4 2791 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200010262243_200011218727 [0,0,1,0,0,1|2,0,0]=4 2792 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200011215852_100009893438 [0,0,1,0,0,1|2,0,0]=4 2793 B13R0.154 C=C(F)COC(C)CCCCCCC 7a_200011215852_100000042424 [0,0,1,0,0,1|2,0,0]=4 2794 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_100000042424_200011218727 [0,0,1,0,0,1|2,0,0]=4 2795 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_200011218727_100000042424 [0,0,1,0,0,1|2,0,0]=4 2796 B13R0.154 CCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011218727 [0,0,1,0,0,1|1,0,0]=3 2797 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,0,1,0,0,1|0,0,0]=2 2798 B13R0.154 CCCCCCCC(C)NCC(C)O 2230a_100000210904_200011218727 [0,0,1,0,0,1|1,0,1]=4 2799 B13R0.154 CCCCCCCC(C)NCC(C)O 270004a_100000210904_100000210596 [0,0,1,0,0,1|1,0,1]=4 2800 B13R0.154 CCCCCCCC(C)NCC(C)O 34a_100000210904_200011218727 [0,0,1,0,0,1|1,0,1]=4 2801 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [0,0,1,0,0,1|1,0,0]=3 2802 B13R0.154 CCCCCCCC(C)OCC(=O)N 34a_200011215852_100000187820 [0,0,1,0,0,1|1,0,0]=3 2803 B13R0.154 CCCCCCCC(C)OCC(=O)N 7a_200011215852_100000187820 [0,0,1,0,0,1|1,0,0]=3 2804 B13R0.154 CCCCCCCC(C)OCC(=O)[O-] 34a_200011215852_100020667443 [0,0,1,0,0,1|0,0,1]=3 2805 B13R0.154 CCCCCCCC(C)OCC(C)O 34a_200011215852_100011218427 [0,0,1,0,0,1|1,0,1]=4 2806 B13R0.154 CCCCCCCC(C)OCC(C)O 7a_200011215852_100011218427 [0,0,1,0,0,1|1,0,1]=4 2807 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 34a_200011215852_100009817552 [0,0,1,0,0,1|1,0,1]=4 2808 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 7a_200011215852_100009817552 [0,0,1,0,0,1|1,0,1]=4 2809 B13R0.154 CCCCCCCC(C)OC[N+](=O)[O-] 34a_200011215852_100000761209 [0,0,1,0,0,1|1,0,1]=4 2810 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_100000747473_200011218727 [0,0,1,0,0,1|1,0,0]=3 2811 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_200011218727_100000747473 [0,0,1,0,0,1|1,0,0]=3 2812 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218727 [0,0,1,0,0,1|0,0,1]=3 2813 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_200011218727_100020667443 [0,0,1,0,0,1|0,0,1]=3 2814 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_100011218427_200011218727 [0,0,1,0,0,1|1,0,1]=4 2815 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_200011218727_100011218427 [0,0,1,0,0,1|1,0,1]=4 2816 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218727 [0,0,1,0,0,1|1,0,1]=4 2817 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_200011218727_100009817552 [0,0,1,0,0,1|1,0,1]=4 2818 B13R0.154 CCCCCCCC(C)SC[N+](=O)[O-] 62a_200011218727_100000761209 [0,0,1,0,0,1|1,0,1]=4 2819 B13R0.154 CCCCCCCN(C)CCC(=O)C 269982a_100000228206_100000053229 [0,0,1,0,0,1|2,0,0]=4 2820 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000228206_100000744528 [0,0,1,0,0,1|2,0,0]=4 2821 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210681 [0,0,1,0,0,1|2,0,0]=4 2822 B13R0.154 CCCCCCCN(C)CCC(=O)N 269982a_100000228206_100000744528 [0,0,1,0,0,1|2,0,0]=4 2823 B13R0.154 CCCCCCCN(C)COC(=O)C 269982a_100000228206_100000076356 [0,0,1,0,0,1|2,0,0]=4 2824 B13R0.154 CCCCCCNC(C)COC(=O)C 270004a_100000210581_100000000629 [0,0,1,0,0,1|2,0,0]=4 2825 B13R0.154 CCCCCNCC(C)CSC(=O)C 2230a_100000209983_200000116872 [0,0,1,0,0,1|2,0,0]=4 2826 B13R0.154 CCCCCOCC(C)CSC(=O)C 34a_100000210253_200000116872 [0,0,1,0,0,1|2,0,0]=4 2827 B13R0.154 CCCCCOCC(C)CSC(=O)C 7a_100000210253_200000116872 [0,0,1,0,0,1|2,0,0]=4 2828 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_100000210326_200000116872 [0,0,1,0,0,1|2,0,0]=4 2829 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210326 [0,0,1,0,0,1|2,0,0]=4 2830 B13R0.285 C=C(C)COC(CC)CCCCCC 34a_100011215785_100000748629 [0,0,1,0,0,1|1,0,0]=3 2831 B13R0.285 C=C(C)COC(CC)CCCCCC 7a_100011215785_100000748629 [0,0,1,0,0,1|1,0,0]=3 2832 B13R0.285 C=C(F)COC(CC)CCCCCC 34a_100011215785_100009893438 [0,0,1,0,0,1|1,0,1]=4 2833 B13R0.285 C=C(F)COC(CC)CCCCCC 7a_100011215785_100000042424 [0,0,1,0,0,1|1,0,1]=4 2834 B13R0.285 CCCCCCC(=NNC(=O)C)CC 4a_100000189765_100011219640 [0,0,1,0,0,1|1,0,1]=4 2835 B13R0.285 CCCCCCC(CC)OCC(=O)N 34a_100011215785_100000187820 [0,0,1,0,0,1|1,0,0]=3 2836 B13R0.285 CCCCCCC(CC)OCC(=O)N 7a_100011215785_100000187820 [0,0,1,0,0,1|1,0,0]=3 2837 B13R0.285 CCCCCCC(CC)OCC(=O)[O-] 34a_100011215785_100020667443 [0,0,1,0,0,1|1,0,0]=3 2838 B13R0.285 CCCCCCC(CC)OCC(C)C 34a_100011215785_100000210624 [0,0,1,0,0,1|1,0,1]=4 2839 B13R0.285 CCCCCCC(CC)OCC(C)C 7a_100011215785_100000210760 [0,0,1,0,0,1|1,0,1]=4 2840 B13R0.285 CCCCCCC(CC)OCC(C)O 34a_100011215785_100011218427 [0,0,1,0,0,1|0,0,2]=4 2841 B13R0.285 CCCCCCC(CC)OCC(C)O 7a_100011215785_100011218427 [0,0,1,0,0,1|0,0,2]=4 2842 B13R0.285 CCCCCCC(CC)OC[C@@H](C)O 34a_100011215785_100009817552 [0,0,1,0,0,1|0,0,2]=4 2843 B13R0.285 CCCCCCC(CC)OC[C@@H](C)O 7a_100011215785_100009817552 [0,0,1,0,0,1|0,0,2]=4 2844 B13R0.285 CCCCCCC(CC)OC[N+](=O)[O-] 34a_100011215785_100000761209 [0,0,1,0,0,1|2,0,0]=4 2845 B13R0.285 CCCCCOC(CCl)COC(=O)C 7a_200000139349_100000210326 [0,0,1,0,0,1|2,0,0]=4 2846 B13R1.9 CCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210326 [1,0,0,0,0,1|2,0,0]=4 2847 B13R1.9 CCCCCNC1CCC(=O)NC1 34a_100000748762_100000718602 [1,0,0,0,0,1|2,0,0]=4 2848 B13R1.9 CCCCCOC1CCC(=O)CC1 34a_100000764474_100000718602 [1,0,0,0,0,1|2,0,0]=4 2849 B13R1.9 CCCCCOC1CCC(=O)CC1 7a_100000764474_100000210326 [1,0,0,0,0,1|2,0,0]=4 2850 B13R1.9 CCCCCOC1CCC(=O)NC1 34a_100000079199_100000718602 [1,0,0,0,0,1|2,0,0]=4 2851 B13R1.9 CCCCOCC1CCC(=O)CC1 34a_100000062911_100000210210 [1,0,0,0,0,1|2,0,0]=4 2852 B15R1.6379 CCCCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210314 [0,0,0,0,0,2|2,0,0]=4 2853 B15R1.6379 CCCCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210757 [0,0,0,0,0,2|2,0,0]=4 2854 B15R1.6379 CCCCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210314 [0,0,0,0,0,2|2,0,0]=4