0 B20R0.32083 C#CCNC(=O)CCCCCCC/C=C\CCCCCC 11a_100000212058_100020587579 [0,0,0,0,0,0|1,0,3]=4 1 B20R0.32083 C#CCNC(=O)CCCCCCC/C=C\CCCCCC 1626a_100000212058_100020587579 [0,0,0,0,0,0|1,0,3]=4 2 B20R0.32083 C#CCNC(=O)CCCCCCC/C=C\CCCCCC 240690a_100000212058_100020587579 [0,0,0,0,0,0|1,0,3]=4 3 B20R0.32083 C#CCNC(=O)CCCCCCC/C=C\CCCCCC 527a_100000212058_100020587579 [0,0,0,0,0,0|1,0,3]=4 4 B20R0.32083 C#CCNC(=O)NCCCCCCCCCCCCCC 2708a_100000212058_100011217771 [0,0,0,0,0,0|2,0,1]=3 5 B20R0.32083 C#CCNC(=O)NCCCCCCCCCCCCCC 2708a_100011217771_100000212058 [0,0,0,0,0,0|2,0,1]=3 6 B20R0.32083 C#CCNC(=O)NCCCCCCCCCCCCCC 273464a_100000212058_100011217771 [0,0,0,0,0,0|2,0,1]=3 7 B20R0.32083 C#CCNC(=O)NCCCCCCCCCCCCCC 273464a_100011217771_100000212058 [0,0,0,0,0,0|2,0,1]=3 8 B20R0.32083 C#CCNC(=O)NCCCCCCCCCCCCCC 512a_100000212058_100011217771 [0,0,0,0,0,0|2,0,1]=3 9 B20R0.32083 C#CCNC(=O)NCCCCCCCCCCCCCC 512a_100011217771_100000212058 [0,0,0,0,0,0|2,0,1]=3 10 B20R0.32083 C=CCCCCCCCCCCCCCC(=O)C#CCO 1458a_100000049017_102495333938 [0,0,0,0,0,0|1,0,3]=4 11 B20R0.32083 CCCCCC/C=C\CCCCCCCC(=O)NCC#N 1626a_100000734998_100020587579 [0,0,0,0,0,0|1,0,3]=4 12 B20R0.32083 CCCCCC/C=C\CCCCCCCC(=O)NCC#N 527a_100000734998_100020587579 [0,0,0,0,0,0|1,0,3]=4 13 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCC#N 2708a_100000734998_100011217771 [0,0,0,0,0,0|2,0,1]=3 14 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCC#N 273464a_100000734998_100011217771 [0,0,0,0,0,0|2,0,1]=3 15 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCC#N 273464a_100011217771_100000734998 [0,0,0,0,0,0|2,0,1]=3 16 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCC#N 512a_100000734998_100011217771 [0,0,0,0,0,0|2,0,1]=3 17 B20R0.32083 CCCCCCCCCCCCCCNC(=O)NCC#N 512a_100011217771_100000734998 [0,0,0,0,0,0|2,0,1]=3 18 B20R0.32083 O=C(C#CCO)CCCCCCCCCCCCCCO 1458a_100000049017_100009828009 [0,0,0,0,0,0|2,0,1]=3 19 B19R0.182 C#CCC(=O)NCCCCCCCCCCCCCC 1626a_100011217771_100011220946 [1,0,0,0,0,0|2,0,1]=4 20 B19R0.182 C#CCC(=O)NCCCCCCCCCCCCCC 527a_100011217771_100011220946 [1,0,0,0,0,0|2,0,1]=4 21 B19R0.182 C#CCCCCCCCCCCOCCC(=O)NCC 7a_100000054667_100000737597 [1,0,0,0,0,0|1,0,2]=4 22 B19R0.182 CC#CC(=O)CCCCCCCCCCCCCCO 1458a_100000763181_100009828009 [1,0,0,0,0,0|2,0,1]=4 23 B19R0.182 CCC#CCCCCCCCCOCCC(=O)NCC 7a_200000031908_100000737597 [1,0,0,0,0,0|1,0,2]=4 24 B19R0.182 CCCCC#CCCCCCCNCCC(=O)NCC 34a_100025743525_200000043322 [1,0,0,0,0,0|1,0,2]=4 25 B19R0.182 CCCCC#CCCCCCCSCCC(=O)NCC 62a_100000737597_200000043322 [1,0,0,0,0,0|1,0,2]=4 26 B19R0.182 CCCCC#CCCCCCCSCCC(=O)NCC 62a_200000043322_100000737597 [1,0,0,0,0,0|1,0,2]=4 27 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)NNC 22a_100016993582_100020587579 [1,0,0,0,0,0|1,0,2]=4 28 B19R0.182 CCCCCCCCC/C=C/COCCC(=O)NCC 7a_100015232335_100000737597 [1,0,0,0,0,0|1,0,2]=4 29 B19R0.182 CCCCCCCCCC/C=C/COCC(=O)NCC 34a_200025761149_100000183381 [1,0,0,0,0,0|1,0,2]=4 30 B19R0.182 CCCCCCCCCC/C=C/COCC(=O)NCC 7a_200025761149_100000183381 [1,0,0,0,0,0|1,0,2]=4 31 B19R0.182 CCCCCCCCCC/C=C/COCC(=O)NCO 34a_200025761149_100000185155 [1,0,0,0,0,0|1,0,2]=4 32 B19R0.182 CCCCCCCCCC/C=C/COCC(=O)NCO 7a_200025761149_100000185155 [1,0,0,0,0,0|1,0,2]=4 33 B19R0.182 CCCCCCCCCCCCCCNC(=O)CC#N 1626a_100011217771_100051588842 [1,0,0,0,0,0|2,0,1]=4 34 B19R0.182 CCCCCCCCCCCCCCNC(=O)CC#N 240690a_100011217771_100051588842 [1,0,0,0,0,0|2,0,1]=4 35 B19R0.182 CCCCCCCCCCCCCCNC(=O)NNC 273464a_100011217771_100016993582 [1,0,0,0,0,0|2,0,0]=3 36 B19R0.182 CCCCCCCCCCCCCCNC(=O)NNC 512a_100011217771_100016993582 [1,0,0,0,0,0|2,0,0]=3 37 B19R0.182 CCCCCCCCCCCCCCNC(=O)NNC 512a_100016993582_100011217771 [1,0,0,0,0,0|2,0,0]=3 38 B19R0.182 CCCCCCCCCCCOCCNC(=O)OCC 34a_100000158857_100011215454 [1,0,0,0,0,0|3,0,0]=4 39 B19R0.182 CCCCCCCCCCCOCCNC(=O)OCC 7a_100000210809_200011445536 [1,0,0,0,0,0|3,0,0]=4 40 B19R0.26303 C#CCNC(=O)CCCCCCCCCCCCCC 11a_100000212058_100000297455 [1,0,0,0,0,0|1,0,1]=3 41 B19R0.26303 C#CCNC(=O)CCCCCCCCCCCCCC 1626a_100000212058_100000297455 [1,0,0,0,0,0|1,0,1]=3 42 B19R0.26303 C#CCNC(=O)CCCCCCCCCCCCCC 240690a_100000212058_100000297455 [1,0,0,0,0,0|1,0,1]=3 43 B19R0.26303 C#CCNC(=O)CCCCCCCCCCCCCO 240690a_100000212058_100020644313 [1,0,0,0,0,0|2,0,1]=4 44 B19R0.26303 C#CCNC(=O)CNCCCCCCCCCCCC 2230a_100000747989_100011215052 [1,0,0,0,0,0|2,0,1]=4 45 B19R0.26303 C#CCNC(=O)CNCCCCCCCCCCCC 34a_100000747989_100000759014 [1,0,0,0,0,0|2,0,1]=4 46 B19R0.26303 C#CCNC(=O)NCCCCCCCCCCCCC 2708a_100000212058_100011215765 [1,0,0,0,0,0|2,0,1]=4 47 B19R0.26303 C#CCNC(=O)NCCCCCCCCCCCCC 2708a_100011215765_100000212058 [1,0,0,0,0,0|2,0,1]=4 48 B19R0.26303 C#CCNC(=O)NCCCCCCCCCCCCC 273464a_100000212058_100011215765 [1,0,0,0,0,0|2,0,1]=4 49 B19R0.26303 C#CCNC(=O)NCCCCCCCCCCCCC 273464a_100011215765_100000212058 [1,0,0,0,0,0|2,0,1]=4 50 B19R0.26303 C#CCNC(=O)NCCCCCCCCCCCCC 512a_100000212058_100011215765 [1,0,0,0,0,0|2,0,1]=4 51 B19R0.26303 C#CCNC(=O)NCCCCCCCCCCCCC 512a_100011215765_100000212058 [1,0,0,0,0,0|2,0,1]=4 52 B19R0.26303 C=CCNC(=O)NCCCCCCCCCCCCC 2708a_100011215765_100020586998 [1,0,0,0,0,0|2,0,1]=4 53 B19R0.26303 C=CCNC(=O)NCCCCCCCCCCCCC 273464a_100011215765_100020586998 [1,0,0,0,0,0|2,0,1]=4 54 B19R0.26303 C=CCNC(=O)NCCCCCCCCCCCCC 273464a_100020586998_100011215765 [1,0,0,0,0,0|2,0,1]=4 55 B19R0.26303 C=CCNC(=O)NCCCCCCCCCCCCC 512a_100011215765_100020586998 [1,0,0,0,0,0|2,0,1]=4 56 B19R0.26303 C=CCNC(=O)NCCCCCCCCCCCCC 512a_100020586998_100011215765 [1,0,0,0,0,0|2,0,1]=4 57 B19R0.26303 CCCCCCCCCCCCCCC(=O)C#CCO 1458a_100000049017_100011215471 [1,0,0,0,0,0|1,0,1]=3 58 B19R0.26303 CCCCCCCCCCCCCCC(=O)NCC#N 1626a_100000734998_100000297455 [1,0,0,0,0,0|1,0,1]=3 59 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCC#N 2708a_100000734998_100011215765 [1,0,0,0,0,0|2,0,1]=4 60 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCC#N 273464a_100000734998_100011215765 [1,0,0,0,0,0|2,0,1]=4 61 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCC#N 273464a_100011215765_100000734998 [1,0,0,0,0,0|2,0,1]=4 62 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCC#N 512a_100000734998_100011215765 [1,0,0,0,0,0|2,0,1]=4 63 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCC#N 512a_100011215765_100000734998 [1,0,0,0,0,0|2,0,1]=4 64 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCF 2708a_100011215765_100000724931 [1,0,0,0,0,0|2,0,0]=3 65 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCF 273464a_100000724931_100011215765 [1,0,0,0,0,0|2,0,0]=3 66 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCF 273464a_100011215765_100000724931 [1,0,0,0,0,0|2,0,0]=3 67 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCF 512a_100011215765_100000724931 [1,0,0,0,0,0|2,0,0]=3 68 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCO 2708a_100011215765_100000210304 [1,0,0,0,0,0|1,0,0]=2 69 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCO 273464a_100000210304_100011215765 [1,0,0,0,0,0|1,0,0]=2 70 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCO 273464a_100011215765_100000210304 [1,0,0,0,0,0|1,0,0]=2 71 B19R0.26303 CCCCCCCCCCCCCNC(=O)NCCO 512a_100011215765_100000210304 [1,0,0,0,0,0|1,0,0]=2 72 B19R0.26303 CCCCCCCCCCCCCNC(=O)NNCC 273464a_100011215765_100000756455 [1,0,0,0,0,0|3,0,0]=4 73 B19R0.26303 CCCCCCCCCCCCCNC(=O)NNCC 512a_100000756455_100011215765 [1,0,0,0,0,0|3,0,0]=4 74 B19R0.26303 CCCCCCCCCCCCCNC(=O)NNCC 512a_100011215765_100000756455 [1,0,0,0,0,0|3,0,0]=4 75 B19R0.26303 CCCCCCCCCCCCNCC(=O)NCC#N 2230a_100000210451_100000736037 [1,0,0,0,0,0|2,0,1]=4 76 B19R0.26303 CCCCCCCCCCCCOCC(=O)NCC#N 7a_100000210810_100000736037 [1,0,0,0,0,0|2,0,1]=4 77 B19R0.26303 CCCCCCCCCCCCSCC(=O)NCC#N 62a_100000736037_100000759014 [1,0,0,0,0,0|2,0,1]=4 78 B19R0.26303 CCCNC(=O)NCCCCCCCCCCCCO 2708a_100000066677_100020643023 [1,0,0,0,0,0|3,0,0]=4 79 B19R0.26303 CCCNC(=O)NCCCCCCCCCCCCO 2708a_100020643023_100000066677 [1,0,0,0,0,0|3,0,0]=4 80 B19R0.26303 CCCNC(=O)NCCCCCCCCCCCCO 273464a_100000066677_100020643023 [1,0,0,0,0,0|3,0,0]=4 81 B19R0.26303 CCCNC(=O)NCCCCCCCCCCCCO 273464a_100020643023_100000066677 [1,0,0,0,0,0|3,0,0]=4 82 B19R0.26303 CCCNC(=O)NCCCCCCCCCCCCO 512a_100000066677_100020643023 [1,0,0,0,0,0|3,0,0]=4 83 B19R0.26303 CCCNC(=O)NCCCCCCCCCCCCO 512a_100020643023_100000066677 [1,0,0,0,0,0|3,0,0]=4 84 B19R0.26303 O=C(C#CCO)CCCCCCCCCCCCCO 1458a_100000049017_100009812470 [1,0,0,0,0,0|2,0,1]=4 85 B19R0.26303 O=C(NCCF)NCCCCCCCCCCCCO 2708a_100000066677_100000724931 [1,0,0,0,0,0|3,0,0]=4 86 B19R0.26303 O=C(NCCF)NCCCCCCCCCCCCO 273464a_100000066677_100000724931 [1,0,0,0,0,0|3,0,0]=4 87 B19R0.26303 O=C(NCCF)NCCCCCCCCCCCCO 273464a_100000724931_100000066677 [1,0,0,0,0,0|3,0,0]=4 88 B19R0.26303 O=C(NCCF)NCCCCCCCCCCCCO 512a_100000066677_100000724931 [1,0,0,0,0,0|3,0,0]=4 89 B19R0.26303 O=C(NCCO)NCCCCCCCCCCCCO 2708a_100000066677_100000210304 [1,0,0,0,0,0|2,0,0]=3 90 B19R0.26303 O=C(NCCO)NCCCCCCCCCCCCO 273464a_100000066677_100000210304 [1,0,0,0,0,0|2,0,0]=3 91 B19R0.26303 O=C(NCCO)NCCCCCCCCCCCCO 273464a_100000210304_100000066677 [1,0,0,0,0,0|2,0,0]=3 92 B19R0.26303 O=C(NCCO)NCCCCCCCCCCCCO 512a_100000066677_100000210304 [1,0,0,0,0,0|2,0,0]=3 93 B21R0.9301 CCC#CCCCCCCCCOCCCC(=O)NCCC 7a_200000031908_100011194427 [0,1,0,0,0,0|1,0,2]=4 94 B21R0.25351 CCCCCCCCCCCCCNC(=O)C(=O)NCCC 1626a_100011215765_200011297150 [0,1,0,0,0,0|2,0,1]=4 95 B21R0.25351 CCCCCCCCCCCCCNC(=O)C(=O)NCCC 240690a_100011215765_200011297150 [0,1,0,0,0,0|2,0,1]=4 96 B21R0.25351 CCCCCCCCCCCCCNC(=O)C(=O)NCCC 527a_100011215765_200011297150 [0,1,0,0,0,0|2,0,1]=4 97 B21R0.36393 CCCCCCCCCCCCCCNC(=O)NC(C)C#N 2708a_100000737613_100011217771 [0,1,0,0,0,0|2,0,1]=4 98 B21R0.36393 CCCCCCCCCCCCCCNC(=O)NC(C)C#N 2708a_100011217771_100000737613 [0,1,0,0,0,0|2,0,1]=4 99 B21R0.36393 CCCCCCCCCCCCCCNC(=O)NC(C)C#N 273464a_100000737613_100011217771 [0,1,0,0,0,0|2,0,1]=4 100 B21R0.36393 CCCCCCCCCCCCCCNC(=O)NC(C)C#N 273464a_100011217771_100000737613 [0,1,0,0,0,0|2,0,1]=4 101 B21R0.36393 CCCCCCCCCCCCCCNC(=O)NC(C)C#N 512a_100000737613_100011217771 [0,1,0,0,0,0|2,0,1]=4 102 B21R0.36393 CCCCCCCCCCCCCCNC(=O)NC(C)C#N 512a_100011217771_100000737613 [0,1,0,0,0,0|2,0,1]=4 103 B21R0.36394 C#CCN(C)C(=O)NCCCCCCCCCCCCCC 2708a_100011217771_100000225692 [0,1,0,0,0,0|2,0,1]=4 104 B21R0.36394 C#CCN(C)C(=O)NCCCCCCCCCCCCCC 273464a_100011217771_100000225692 [0,1,0,0,0,0|2,0,1]=4 105 B21R0.36394 CCCCCCCCCCCCCCNC(=O)N(C)CC#N 273464a_100011217771_100000748184 [0,1,0,0,0,0|2,0,1]=4 106 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000610636 [0,1,0,0,0,0|1,0,2]=4 107 B21R1.7044 CCCCCCCCCCCCCOC[C@@H]1COCCN1 34a_100000717676_100000210684 [0,0,0,1,0,0|2,0,1]=4 108 B21R1.7950 CCCNC(=O)CCCOCCCCCN1CCCCC1 7a_100011216611_100011194427 [0,0,0,1,0,0|3,0,0]=4 109 B21R1.75630 CCCCCCCCCCCCCNC1CCCNC1=O 2230a_100000747585_100000210684 [0,0,0,1,0,0|2,0,0]=3 110 B21R1.75630 CCCCCCCCCCCCCNC1CCCNC1=O 2230a_100011215765_100000687798 [0,0,0,1,0,0|2,0,0]=3 111 B21R1.75630 CCCCCCCCCCCCCNC1CCCNC1=O 270004a_100000747585_200011215488 [0,0,0,1,0,0|2,0,0]=3 112 B21R1.75630 CCCCCCCCCCCCCNC1CCCNC1=O 34a_100000747585_100000210684 [0,0,0,1,0,0|2,0,0]=3 113 B21R1.75630 CCCCCCCCCCCCCNC1CCCNC1=O 34a_100011215765_100000687798 [0,0,0,1,0,0|2,0,0]=3 114 B21R1.75630 CCCCCCCCCCCCCOC1CCCNC1=O 34a_100000073722_100000210684 [0,0,0,1,0,0|2,0,0]=3 115 B21R1.75630 CCCCCCCCCCCCCOC1CCCNC1=O 34a_100000185773_100000687798 [0,0,0,1,0,0|2,0,0]=3 116 B21R1.75630 CCCCCCCCCCCCCOC1CCCNC1=O 7a_100000185773_100000687798 [0,0,0,1,0,0|2,0,0]=3 117 B21R1.75630 CCCCCCCCCCCOCCC1NCCNC1=O 34a_100000044719_100011215454 [0,0,0,1,0,0|2,0,0]=3 118 B21R1.75630 CCCCCCCCCCSCCOC1CCCNC1=O 34a_100011628728_100000687798 [0,0,0,1,0,0|3,0,0]=4 119 B21R1.75630 CCCCCCCCCCSCCOC1CCCNC1=O 7a_100011628728_100000687798 [0,0,0,1,0,0|3,0,0]=4 120 B21R1.75630 NCCCCCCCCCCCCOC1CCCNC1=O 34a_100000066677_100000687798 [0,0,0,1,0,0|3,0,0]=4 121 B21R1.75630 O=C1NCCCC1NCCCCCCCCCCCCO 2230a_100000066677_100000687798 [0,0,0,1,0,0|3,0,0]=4 122 B21R1.75630 O=C1NCCCC1NCCCCCCCCCCCCO 2230a_100000747585_100009813331 [0,0,0,1,0,0|3,0,0]=4 123 B21R1.75630 O=C1NCCCC1NCCCCCCCCCCCCO 34a_100000066677_100000687798 [0,0,0,1,0,0|3,0,0]=4 124 B21R1.75630 O=C1NCCCC1NCCCCCCCCCCCCO 34a_100000747585_100009813331 [0,0,0,1,0,0|3,0,0]=4 125 B21R1.75630 O=C1NCCCC1OCCCCCCCCCCCCBr 34a_100009813331_100000687798 [0,0,0,1,0,0|3,0,0]=4 126 B21R1.75630 O=C1NCCCC1OCCCCCCCCCCCCBr 7a_100009813331_100000687798 [0,0,0,1,0,0|3,0,0]=4 127 B21R1.75630 O=C1NCCCC1OCCCCCCCCCCCCO 34a_100000073722_100009813331 [0,0,0,1,0,0|3,0,0]=4 128 B21R1.75630 O=C1NCCCC1SCCCCCCCCCCCCO 62a_100009813331_100000687798 [0,0,0,1,0,0|3,0,0]=4 129 B21R1.75630 O=C1NCCNC1CCOCCCCCCCCCCO 34a_100000044719_100009813290 [0,0,0,1,0,0|3,0,0]=4 130 B21R1.82075 C=CCNC(=O)CCNC1CCCCCCCCCCC1 2230a_100011194316_100011222895 [0,0,0,1,0,0|2,0,1]=4 131 B21R1.82075 C=CCNC(=O)CCOC1CCCCCCCCCCC1 7a_100000211378_100011222895 [0,0,0,1,0,0|2,0,1]=4 132 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCO1 11a_100011217771_100000089072 [0,0,0,1,0,0|2,0,0]=3 133 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCO1 1626a_100011217771_100000089072 [0,0,0,1,0,0|2,0,0]=3 134 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCO1 240690a_100011217771_100000089072 [0,0,0,1,0,0|2,0,0]=3 135 B21R1.156304 CCCCCCCCCCCCCCNC(=O)C1CCO1 527a_100011217771_100000089072 [0,0,0,1,0,0|2,0,0]=3 136 B21R1.156304 CCCCCCCCCCCCCNCC(=O)N1CCC1 2230a_100011215765_100000185095 [0,0,0,1,0,0|2,0,0]=3 137 B21R1.156304 CCCCCCCCCCCCCNCC(=O)N1CCC1 34a_100011215765_100000185095 [0,0,0,1,0,0|2,0,0]=3 138 B21R1.156304 CCCCCCCCCCCCCOCC(=O)N1CCC1 34a_100000185773_100000185095 [0,0,0,1,0,0|2,0,0]=3 139 B21R1.156304 CCCCCCCCCCCCCOCC(=O)N1CCC1 7a_100000185773_100000185095 [0,0,0,1,0,0|2,0,0]=3 140 B21R1.156304 CCCCCCCCCCSCCOCC(=O)N1CCC1 34a_100011628728_100000185095 [0,0,0,1,0,0|3,0,0]=4 141 B21R1.156304 CCCCCCCCCCSCCOCC(=O)N1CCC1 7a_100011628728_100000185095 [0,0,0,1,0,0|3,0,0]=4 142 B21R1.156304 NCCCCCCCCCCCCOCC(=O)N1CCC1 34a_100000066677_100000185095 [0,0,0,1,0,0|3,0,0]=4 143 B21R1.156304 O=C(CCCCCCCCCCCCCCO)N1CCC1 240690a_100000754969_100000122395 [0,0,0,1,0,0|2,0,0]=3 144 B21R1.156304 O=C(CNCCCCCCCCCCCCO)N1CCC1 2230a_100000066677_100000185095 [0,0,0,1,0,0|3,0,0]=4 145 B21R1.156304 O=C(CNCCCCCCCCCCCCO)N1CCC1 34a_100000066677_100000185095 [0,0,0,1,0,0|3,0,0]=4 146 B21R1.156304 O=C(COCCCCCCCCCCCCBr)N1CCC1 34a_100009813331_100000185095 [0,0,0,1,0,0|3,0,0]=4 147 B21R1.156304 O=C(COCCCCCCCCCCCCBr)N1CCC1 7a_100009813331_100000185095 [0,0,0,1,0,0|3,0,0]=4 148 B21R1.156304 O=C(CSCCCCCCCCCCCCO)N1CCC1 62a_100009813331_100000185095 [0,0,0,1,0,0|3,0,0]=4 149 B21R1.396252 CCCCCCCCCCCN1CCNC(=O)C1CCO 2230a_100000044719_100011215454 [0,0,0,1,0,0|3,0,0]=4 150 B21R1.396252 CCCCCCCCCCCN1CCNC(=O)C1CCO 34a_100000044719_100011215454 [0,0,0,1,0,0|3,0,0]=4 151 B21R1.987724 CCCCCCCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210684 [0,0,0,1,0,0|2,0,0]=3 152 B21R1.987724 CCCCCCCCCCCCCN1CCCNC(=O)C1 270004a_100015190381_200011215488 [0,0,0,1,0,0|2,0,0]=3 153 B21R1.987724 O=C1CN(CCCN1)CCCCCCCCCCCCO 2230a_100015190381_100009813331 [0,0,0,1,0,0|3,0,0]=4 154 B21R1.1147503 CCCCCCCCCCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100011215052 [0,0,0,1,0,0|2,0,0]=3 155 B21R1.1147503 CCCCCCCCCCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000759014 [0,0,0,1,0,0|2,0,0]=3 156 B21R1.1147503 CCCCCCCCCCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000759014 [0,0,0,1,0,0|2,0,0]=3 157 B21R1.1147503 C[C@H]1CNC(=O)CCN1CCCCCCCCCCCO 2230a_102125656889_100009812471 [0,0,0,1,0,0|3,0,0]=4 158 B21R1.1147503 C[C@H]1CNC(=O)CCN1CCCCCCCCCCCO 269982a_102125656889_100009812471 [0,0,0,1,0,0|3,0,0]=4 159 B21R1.1147503 C[C@H]1CNC(=O)CCN1CCCCCCCCCCCO 34a_102125656889_100009812471 [0,0,0,1,0,0|3,0,0]=4 160 B20R0.2931 CCCCCCCCCCCCCOCC(=O)NC(=O)C 7a_100000185773_100000183797 [1,1,0,0,0,0|1,0,1]=4 161 B20R0.10432 CCCCCCCCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000210736 [1,1,0,0,0,0|1,0,1]=4 162 B20R0.10432 CCCCCCCCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000210736 [1,1,0,0,0,0|1,0,1]=4 163 B20R0.10432 CCCCCCCCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000210736 [1,1,0,0,0,0|1,0,1]=4 164 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)NCC 11a_100000684558_100000199580 [1,1,0,0,0,0|1,0,1]=4 165 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)NCC 1626a_100000684558_100000199580 [1,1,0,0,0,0|1,0,1]=4 166 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)NCC 240690a_100000684558_100000199580 [1,1,0,0,0,0|1,0,1]=4 167 B20R0.10432 CCCCCCCCCCNC(=O)CCCC(=O)NCC 527a_100000684558_100000199580 [1,1,0,0,0,0|1,0,1]=4 168 B20R0.32504 CCCCCCCCCCCCCNC(=O)C(=O)NCC 1626a_100011215765_200011297158 [1,1,0,0,0,0|1,0,1]=4 169 B20R0.32504 CCCCCCCCCCCCCNC(=O)C(=O)NCC 240690a_100011215765_200011297158 [1,1,0,0,0,0|1,0,1]=4 170 B20R0.32504 CCCCCCCCCCCCCNC(=O)C(=O)NCC 527a_100011215765_200011297158 [1,1,0,0,0,0|1,0,1]=4 171 B20R0.32784 CCCCCCCCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100011215791 [1,1,0,0,0,0|1,0,1]=4 172 B20R0.32784 CCCCCCCCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100011215791 [1,1,0,0,0,0|1,0,1]=4 173 B20R0.32784 CCCCCCCCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100011215791 [1,1,0,0,0,0|1,0,1]=4 174 B20R0.32784 CCCCCCCCCCCNC(=O)CCC(=O)NCC 11a_200011215754_100000199579 [1,1,0,0,0,0|1,0,1]=4 175 B20R0.32784 CCCCCCCCCCCNC(=O)CCC(=O)NCC 1626a_200011215754_100000199579 [1,1,0,0,0,0|1,0,1]=4 176 B20R0.32784 CCCCCCCCCCCNC(=O)CCC(=O)NCC 240690a_200011215754_100000199579 [1,1,0,0,0,0|1,0,1]=4 177 B20R0.3041 CC(O)CNC(=O)NCCCCCCCCCCCCO 2708a_100000066677_100000210904 [1,1,0,0,0,0|2,0,0]=4 178 B20R0.3041 CC(O)CNC(=O)NCCCCCCCCCCCCO 273464a_100000066677_100000210904 [1,1,0,0,0,0|2,0,0]=4 179 B20R0.3041 CC(O)CNC(=O)NCCCCCCCCCCCCO 273464a_100000210904_100000066677 [1,1,0,0,0,0|2,0,0]=4 180 B20R0.3041 CC(O)CNC(=O)NCCCCCCCCCCCCO 512a_100000066677_100000210904 [1,1,0,0,0,0|2,0,0]=4 181 B20R0.3041 CC(O)CNC(=O)NCCCCCCCCCCCCO 512a_100000210904_100000066677 [1,1,0,0,0,0|2,0,0]=4 182 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)O 2708a_100011215765_100000210904 [1,1,0,0,0,0|1,0,0]=3 183 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)O 273464a_100000210904_100011215765 [1,1,0,0,0,0|1,0,0]=3 184 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)O 273464a_100011215765_100000210904 [1,1,0,0,0,0|1,0,0]=3 185 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)O 512a_100000210904_100011215765 [1,1,0,0,0,0|1,0,0]=3 186 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(C)O 512a_100011215765_100000210904 [1,1,0,0,0,0|1,0,0]=3 187 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(F)F 2708a_100011215765_100000765723 [1,1,0,0,0,0|2,0,0]=4 188 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(F)F 273464a_100000765723_100011215765 [1,1,0,0,0,0|2,0,0]=4 189 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(F)F 273464a_100011215765_100000765723 [1,1,0,0,0,0|2,0,0]=4 190 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(F)F 512a_100000765723_100011215765 [1,1,0,0,0,0|2,0,0]=4 191 B20R0.3041 CCCCCCCCCCCCCNC(=O)NCC(F)F 512a_100011215765_100000765723 [1,1,0,0,0,0|2,0,0]=4 192 B20R0.28390 CCCCCCCCCCCC(=O)NCC(=O)NCCO 240690a_100000210304_100001278556 [1,1,0,0,0,0|1,0,1]=4 193 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CF 2708a_100011215765_100102880703 [1,1,0,0,0,0|2,0,0]=4 194 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CF 273464a_100011215765_100102880703 [1,1,0,0,0,0|2,0,0]=4 195 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100011215765 [1,1,0,0,0,0|2,0,0]=4 196 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CF 512a_100011215765_100102880703 [1,1,0,0,0,0|2,0,0]=4 197 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100011215765 [1,1,0,0,0,0|2,0,0]=4 198 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CO 2708a_100011215765_100000737577 [1,1,0,0,0,0|1,0,0]=3 199 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100011215765 [1,1,0,0,0,0|1,0,0]=3 200 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100011215765 [1,1,0,0,0,0|1,0,0]=3 201 B20R0.32503 CCCCCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100011215765_100000737577 [1,1,0,0,0,0|1,0,0]=3 202 B20R0.32503 C[C@H](CO)NC(=O)NCCCCCCCCCCCCO 2708a_100000066677_100000737577 [1,1,0,0,0,0|2,0,0]=4 203 B20R0.32503 C[C@H](CO)NC(=O)NCCCCCCCCCCCCO 273464a_100000737577_100000066677 [1,1,0,0,0,0|2,0,0]=4 204 B20R0.32503 C[C@H](CO)NC(=O)NCCCCCCCCCCCCO 512a_100000066677_100000737577 [1,1,0,0,0,0|2,0,0]=4 205 B20R0.32503 C[C@H](CO)NC(=O)NCCCCCCCCCCCCO 512a_100000737577_100000066677 [1,1,0,0,0,0|2,0,0]=4 206 B20R1.3310 CCCCCCCCCCCCOC[C@@H]1CNCCO1 34a_100015189573_100000759014 [1,0,0,1,0,0|1,0,1]=4 207 B20R1.8322 CCCCCCCCCCCCCNCC1=NCCN1 34a_100011215765_100000737910 [1,0,0,1,0,0|2,0,0]=4 208 B20R1.8322 CCCCCCCCCCCCCOCC1=NCCN1 34a_100000185773_100000737910 [1,0,0,1,0,0|2,0,0]=4 209 B20R1.8322 CCCCCCCCCCCCCOCC1=NCCN1 7a_100000185773_100000737910 [1,0,0,1,0,0|2,0,0]=4 210 B20R1.440705 OCCCNC1CCCCCCCCCCCCCC1 270004a_100000182051_100000040017 [1,0,0,1,0,0|2,0,0]=4 211 B20R1.440705 OCCNN=C1CCCCCCCCCCCCCC1 4a_100000210001_100000040017 [1,0,0,1,0,0|1,0,1]=4 212 B20R1.250 CCCCCCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210684 [1,0,0,1,0,0|1,0,0]=3 213 B20R1.250 CCCCCCCCCCCCCN1CCNC(=O)C1 270004a_100000184651_200011215488 [1,0,0,1,0,0|1,0,0]=3 214 B20R1.250 CCCCCCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210684 [1,0,0,1,0,0|2,0,0]=4 215 B20R1.250 CCCCCCCCCCCCCN1CCOC(=O)C1 270004a_100000131268_200011215488 [1,0,0,1,0,0|2,0,0]=4 216 B20R1.250 CCCCCCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100011215052 [1,0,0,1,0,0|1,0,0]=3 217 B20R1.250 CCCCCCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000759014 [1,0,0,1,0,0|1,0,0]=3 218 B20R1.250 CCCCCCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000759014 [1,0,0,1,0,0|1,0,0]=3 219 B20R1.250 CCCCCCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100011215454 [1,0,0,1,0,0|1,0,0]=3 220 B20R1.250 CCCCCCCCCNCCCN1CCNC(=O)C1 2230a_100000757908_100011214924 [1,0,0,1,0,0|2,0,0]=4 221 B20R1.250 O=C1CC(CCN1)COCCCCCCCCCCO 34a_100009886756_100009813290 [1,0,0,1,0,0|2,0,0]=4 222 B20R1.250 O=C1CC(CCN1)NCCCCCCCCCCCO 2230a_100016994916_100009812471 [1,0,0,1,0,0|2,0,0]=4 223 B20R1.250 O=C1CC(CCN1)NCCCCCCCCCCCO 34a_100016994916_100009812471 [1,0,0,1,0,0|2,0,0]=4 224 B20R1.250 O=C1CN(CCN1)CCCCCCCCCCCCO 2230a_100000184651_100009813331 [1,0,0,1,0,0|2,0,0]=4 225 B20R1.250 O=C1C[C@@H](CCN1)OCCCCCCCCCCCO 34a_100015189427_100009812471 [1,0,0,1,0,0|2,0,0]=4 226 B20R1.3818 CCOC(=O)CCCCCCCCNC1CCCCC1 2230a_100000182618_100010175975 [1,0,0,1,0,0|2,0,0]=4 227 B20R1.3818 CCOC(=O)CCCCCCCCNC1CCCCC1 34a_100000182618_100010175975 [1,0,0,1,0,0|2,0,0]=4 228 B20R1.3818 CCOC(=O)CCCCCCCCOC1CCCCC1 34a_100000210231_100010175975 [1,0,0,1,0,0|2,0,0]=4 229 B20R1.3818 CCOC(=O)CCCCCCCCOC1CCCCC1 7a_100000210231_100010175975 [1,0,0,1,0,0|2,0,0]=4 230 B20R1.3818 CCOC(=O)CCCCCCCNCC1CCCCC1 2230a_100000210473_100009991516 [1,0,0,1,0,0|2,0,0]=4 231 B20R1.3818 CCOC(=O)CCCCCCCNCC1CCCCC1 34a_100000210473_100009991516 [1,0,0,1,0,0|2,0,0]=4 232 B20R1.3818 CCOC(=O)CCCCCCCOCC1CCCCC1 34a_100000212181_100009991516 [1,0,0,1,0,0|2,0,0]=4 233 B20R1.3818 CCOC(=O)CCCCCCCOCC1CCCCC1 7a_100000212181_100009991516 [1,0,0,1,0,0|2,0,0]=4 234 B20R1.3818 CCOC(=O)CCCCCCNCCC1CCCCC1 2230a_100000738074_100009814379 [1,0,0,1,0,0|2,0,0]=4 235 B20R1.3818 CCOC(=O)CCCCCCNCCC1CCCCC1 34a_100000738074_100009814379 [1,0,0,1,0,0|2,0,0]=4 236 B20R1.3818 CCOC(=O)CCCCCCOCCC1CCCCC1 34a_100011217863_100009814379 [1,0,0,1,0,0|2,0,0]=4 237 B20R1.3818 CCOC(=O)CCCCCCOCCC1CCCCC1 7a_100011217863_100009814379 [1,0,0,1,0,0|2,0,0]=4 238 B20R1.3818 CCOC(=O)CCCCCNCCCC1CCCCC1 2230a_100011211642_100000755133 [1,0,0,1,0,0|2,0,0]=4 239 B20R1.3818 CCOC(=O)CCCCCNCCCC1CCCCC1 34a_100011211642_100000755133 [1,0,0,1,0,0|2,0,0]=4 240 B20R1.3818 CCOC(=O)CCCCCOCCCC1CCCCC1 34a_100000198086_100000755133 [1,0,0,1,0,0|2,0,0]=4 241 B20R1.3818 CCOC(=O)CCCCCOCCCC1CCCCC1 7a_100000198086_100000755133 [1,0,0,1,0,0|2,0,0]=4 242 B20R1.3818 CCOC(=O)CCCCCOCCCC1CCCCC1 7a_100011214988_100011713725 [1,0,0,1,0,0|2,0,0]=4 243 B20R1.3818 CCOC(=O)CCCCOCCCCC1CCCCC1 34a_100011215267_100000750268 [1,0,0,1,0,0|2,0,0]=4 244 B20R1.3818 CCOC(=O)CCCCOCCCCC1CCCCC1 7a_100011215267_100000750268 [1,0,0,1,0,0|2,0,0]=4 245 B20R1.3818 O=C(CCO)CCCCCCCCOC1CCCCO1 1458a_100011216618_200009814348 [1,0,0,1,0,0|2,0,0]=4 246 B20R1.32754 CCCCCCCCCCCCCCCN1CC(C1)O 269982a_100000749847_100000210322 [1,0,0,1,0,0|2,0,0]=4 247 B20R1.35538 CCCC1CCCCC1OCCCCCC(=O)OCC 34a_100011217265_100000755133 [1,0,0,1,0,0|2,0,0]=4 248 B20R1.35538 CCCC1CCCCC1OCCCCCC(=O)OCC 7a_100011217265_100000755133 [1,0,0,1,0,0|2,0,0]=4 249 B20R1.35538 CCCC1CCCCN1CCCCCCC(=O)OCC 2230a_100000701414_100009814379 [1,0,0,1,0,0|2,0,0]=4 250 B20R1.35538 CCCC1CCCCN1CCCCCCC(=O)OCC 269982a_100000701414_100009814379 [1,0,0,1,0,0|2,0,0]=4 251 B20R1.35538 CCCC1CCCCN1CCCCCCC(=O)OCC 34a_100000701414_100009814379 [1,0,0,1,0,0|2,0,0]=4 252 B20R1.38730 CCOC(=O)CCCCCCCCCCN1CCCC1 2230a_100000188435_100009827693 [1,0,0,1,0,0|2,0,0]=4 253 B20R1.38730 CCOC(=O)CCCCCCCCCCN1CCCC1 269982a_100000188435_100009827693 [1,0,0,1,0,0|2,0,0]=4 254 B20R1.38730 CCOC(=O)CCCCCCCCCNC1CCCC1 2230a_100000211070_100009828014 [1,0,0,1,0,0|2,0,0]=4 255 B20R1.38730 CCOC(=O)CCCCCCCCCNC1CCCC1 34a_100000211070_100009828014 [1,0,0,1,0,0|2,0,0]=4 256 B20R1.38730 CCOC(=O)CCCCCCCCCOC1CCCC1 34a_100000210269_100009828014 [1,0,0,1,0,0|2,0,0]=4 257 B20R1.38730 CCOC(=O)CCCCCCCCCOC1CCCC1 7a_100000210269_100009828014 [1,0,0,1,0,0|2,0,0]=4 258 B20R1.38730 CCOC(=O)CCCCCCCCNCC1CCCC1 2230a_100000737975_100010175975 [1,0,0,1,0,0|2,0,0]=4 259 B20R1.38730 CCOC(=O)CCCCCCCCNCC1CCCC1 34a_100000737975_100010175975 [1,0,0,1,0,0|2,0,0]=4 260 B20R1.38730 CCOC(=O)CCCCCCCCOCC1CCCC1 34a_100000742336_100010175975 [1,0,0,1,0,0|2,0,0]=4 261 B20R1.38730 CCOC(=O)CCCCCCCCOCC1CCCC1 7a_100000742336_100010175975 [1,0,0,1,0,0|2,0,0]=4 262 B20R1.38730 CCOC(=O)CCCCCCCNCCC1CCCC1 2230a_100000739158_100009991516 [1,0,0,1,0,0|2,0,0]=4 263 B20R1.38730 CCOC(=O)CCCCCCCNCCC1CCCC1 34a_100000739158_100009991516 [1,0,0,1,0,0|2,0,0]=4 264 B20R1.38730 CCOC(=O)CCCCCCCOCCC1CCCC1 34a_100000749090_100009991516 [1,0,0,1,0,0|2,0,0]=4 265 B20R1.38730 CCOC(=O)CCCCCCCOCCC1CCCC1 7a_100000749090_100009991516 [1,0,0,1,0,0|2,0,0]=4 266 B20R1.38730 CCOC(=O)CCCCCCNCCCC1CCCC1 2230a_100000736752_100009814379 [1,0,0,1,0,0|2,0,0]=4 267 B20R1.38730 CCOC(=O)CCCCCCNCCCC1CCCC1 34a_100000736752_100009814379 [1,0,0,1,0,0|2,0,0]=4 268 B20R1.38730 CCOC(=O)CCCCCCOCCCC1CCCC1 34a_100011215328_100009814379 [1,0,0,1,0,0|2,0,0]=4 269 B20R1.38730 CCOC(=O)CCCCCCOCCCC1CCCC1 7a_100011215328_100009814379 [1,0,0,1,0,0|2,0,0]=4 270 B20R1.38754 CCOC(=O)CCCCCCCCN1CCCC1CC 2230a_100000754278_100010175975 [1,0,0,1,0,0|2,0,0]=4 271 B20R1.38754 CCOC(=O)CCCCCCCCN1CCCC1CC 269982a_100000754278_100010175975 [1,0,0,1,0,0|2,0,0]=4 272 B20R1.38754 CCOC(=O)CCCCCCCCN1CCCC1CC 34a_100000754278_100010175975 [1,0,0,1,0,0|2,0,0]=4 273 B20R1.46864 CCOC(=O)CCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009828014 [1,0,0,1,0,0|2,0,0]=4 274 B20R1.46864 CCOC(=O)CCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100009828014 [1,0,0,1,0,0|2,0,0]=4 275 B20R1.46864 CCOC(=O)CCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100009828014 [1,0,0,1,0,0|2,0,0]=4 276 B20R1.46864 CCOC(=O)CCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100009828014 [1,0,0,1,0,0|2,0,0]=4 277 B20R1.46864 CCOC(=O)CCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100009828014 [1,0,0,1,0,0|2,0,0]=4 278 B20R1.46864 CCOC(=O)CCCCCCCCOC1CCCC1C 34a_100011216460_100010175975 [1,0,0,1,0,0|2,0,0]=4 279 B20R1.46864 CCOC(=O)CCCCCCCCOC1CCCC1C 7a_100011216460_100010175975 [1,0,0,1,0,0|2,0,0]=4 280 B20R1.46868 CCOC(=O)CCCCCCCCCCCNC1CC1 34a_100000212008_100103168309 [1,0,0,1,0,0|2,0,0]=4 281 B20R1.46868 CCOC(=O)CCCCCCCCCCNCC1CC1 2230a_100000735609_100009827693 [1,0,0,1,0,0|2,0,0]=4 282 B20R1.46868 CCOC(=O)CCCCCCCCCCNCC1CC1 34a_100000735609_100009827693 [1,0,0,1,0,0|2,0,0]=4 283 B20R1.46868 CCOC(=O)CCCCCCCCCCOCC1CC1 34a_100000211283_100009827693 [1,0,0,1,0,0|2,0,0]=4 284 B20R1.46868 CCOC(=O)CCCCCCCCCNCCC1CC1 34a_100000764129_100009828014 [1,0,0,1,0,0|2,0,0]=4 285 B20R1.46868 CCOC(=O)CCCCCCCCCOCCC1CC1 34a_100000754188_100009828014 [1,0,0,1,0,0|2,0,0]=4 286 B20R1.46868 CCOC(=O)CCCCCCCCCOCCC1CC1 7a_100000754188_100009828014 [1,0,0,1,0,0|2,0,0]=4 287 B20R1.46876 CCOC(=O)CCCCCCCCCCN1CCC1C 269982a_100000755817_100009827693 [1,0,0,1,0,0|2,0,0]=4 288 B20R1.46876 CCOC(=O)CCCCCCCCCCN1CCC1C 34a_100000755817_100009827693 [1,0,0,1,0,0|2,0,0]=4 289 B20R1.47820 CCOC(=O)CCCCCCCN1CCCCC1CC 2230a_100000210034_100009991516 [1,0,0,1,0,0|2,0,0]=4 290 B20R1.47820 CCOC(=O)CCCCCCCN1CCCCC1CC 269982a_100000210034_100009991516 [1,0,0,1,0,0|2,0,0]=4 291 B20R1.47820 CCOC(=O)CCCCCCCN1CCCCC1CC 34a_100000210034_100009991516 [1,0,0,1,0,0|2,0,0]=4 292 B20R1.47820 CCOC(=O)CCCCCCOC1CCCCC1CC 34a_100000210738_100009814379 [1,0,0,1,0,0|2,0,0]=4 293 B20R1.47820 CCOC(=O)CCCCCCOC1CCCCC1CC 7a_100000210738_100009814379 [1,0,0,1,0,0|2,0,0]=4 294 B20R1.49331 CCNC(=O)CCNC1CCCCCCCCCCC1 2230a_100011194316_100000737597 [1,0,0,1,0,0|1,0,0]=3 295 B20R1.49331 CCNC(=O)CCNC1CCCCCCCCCCC1 270004a_100025743525_100000210130 [1,0,0,1,0,0|1,0,0]=3 296 B20R1.49331 CCNC(=O)CCOC1CCCCCCCCCCC1 7a_100000211378_100000737597 [1,0,0,1,0,0|1,0,0]=3 297 B20R1.49331 CCOC(=O)CCNC1CCCCCCCCCCC1 2230a_100011194316_100011206558 [1,0,0,1,0,0|2,0,0]=4 298 B20R1.49331 CCOC(=O)CCNC1CCCCCCCCCCC1 34a_100011194316_100000765890 [1,0,0,1,0,0|2,0,0]=4 299 B20R1.49331 CCOC(=O)CCOC1CCCCCCCCCCC1 34a_100000211378_100000765890 [1,0,0,1,0,0|2,0,0]=4 300 B20R1.49331 CCOC(=O)CCOC1CCCCCCCCCCC1 7a_100000211378_100011206558 [1,0,0,1,0,0|2,0,0]=4 301 B20R1.49365 CCOC(=O)CCCCCCCCN1CCCCC1C 2230a_100000211376_100010175975 [1,0,0,1,0,0|2,0,0]=4 302 B20R1.49365 CCOC(=O)CCCCCCCCN1CCCCC1C 269982a_100000211376_100010175975 [1,0,0,1,0,0|2,0,0]=4 303 B20R1.49365 CCOC(=O)CCCCCCCCN1CCCCC1C 34a_100000211376_100010175975 [1,0,0,1,0,0|2,0,0]=4 304 B20R1.49365 CCOC(=O)CCCCCCCNC1CCCCC1C 2230a_100000211402_100009991516 [1,0,0,1,0,0|2,0,0]=4 305 B20R1.49365 CCOC(=O)CCCCCCCNC1CCCCC1C 34a_100000211402_100009991516 [1,0,0,1,0,0|2,0,0]=4 306 B20R1.49365 CCOC(=O)CCCCCCCOC1CCCCC1C 34a_100000211207_100009991516 [1,0,0,1,0,0|2,0,0]=4 307 B20R1.49365 CCOC(=O)CCCCCCCOC1CCCCC1C 7a_100000211207_100009991516 [1,0,0,1,0,0|2,0,0]=4 308 B20R1.49369 CCOC(=O)CCCCCCCCCOCC1CC1C 34a_100000744939_100009828014 [1,0,0,1,0,0|2,0,0]=4 309 B20R1.49369 CCOC(=O)CCCCCCCCCOCC1CC1C 7a_100000744939_100009828014 [1,0,0,1,0,0|2,0,0]=4 310 B20R1.49370 CCOC(=O)CCCCCCCCCCCN1CCC1 269982a_100000754969_100103168309 [1,0,0,1,0,0|2,0,0]=4 311 B20R1.49370 CCOC(=O)CCCCCCCCCCNC1CCC1 2230a_100000749019_100009827693 [1,0,0,1,0,0|2,0,0]=4 312 B20R1.49370 CCOC(=O)CCCCCCCCCCNC1CCC1 34a_100000749019_100009827693 [1,0,0,1,0,0|2,0,0]=4 313 B20R1.49370 CCOC(=O)CCCCCCCCCCOC1CCC1 34a_100000748187_100009827693 [1,0,0,1,0,0|2,0,0]=4 314 B20R1.49370 CCOC(=O)CCCCCCCCCNCC1CCC1 2230a_100000738700_100009828014 [1,0,0,1,0,0|2,0,0]=4 315 B20R1.49370 CCOC(=O)CCCCCCCCCNCC1CCC1 34a_100000738700_100009828014 [1,0,0,1,0,0|2,0,0]=4 316 B20R1.49370 CCOC(=O)CCCCCCCCCOCC1CCC1 34a_100000760304_100009828014 [1,0,0,1,0,0|2,0,0]=4 317 B20R1.59070 CCCCCCCCCN1CCCCC1C(=O)OCC 2230a_100016990872_100011214924 [1,0,0,1,0,0|2,0,0]=4 318 B20R1.59070 CCCCCCCCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210670 [1,0,0,1,0,0|2,0,0]=4 319 B20R1.59070 CCCCCCCCOC1CCCCC1C(=O)OCC 7a_100000038711_100000210759 [1,0,0,1,0,0|2,0,0]=4 320 B20R1.65980 CCCCCCCC1CCCC1NCCC(=O)NCC 269862a_100025743525_200011216720 [1,0,0,1,0,0|1,0,0]=3 321 B20R1.65980 CCCCCCCC1CCCC1NCCC(=O)NCC 270004a_100025743525_200011216720 [1,0,0,1,0,0|1,0,0]=3 322 B20R1.66753 CCCCCCCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210320 [1,0,0,1,0,0|1,0,0]=3 323 B20R1.66753 CCCCCCCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210320 [1,0,0,1,0,0|1,0,0]=3 324 B20R1.66753 CCCCCCCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210320 [1,0,0,1,0,0|1,0,0]=3 325 B20R1.66753 CCCCCCCCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210320 [1,0,0,1,0,0|2,0,0]=4 326 B20R1.66753 CCCCCCCCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210320 [1,0,0,1,0,0|2,0,0]=4 327 B20R1.66753 CCCCCCCCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210328 [1,0,0,1,0,0|2,0,0]=4 328 B20R1.66753 CCNC(=O)[C@@H]1CCCN1CCCCCCCCCO 2230a_100020641767_100009813782 [1,0,0,1,0,0|2,0,0]=4 329 B20R1.66753 CCNC(=O)[C@@H]1CCCN1CCCCCCCCCO 269982a_100020641767_100009813782 [1,0,0,1,0,0|2,0,0]=4 330 B20R1.66753 CCNC(=O)[C@@H]1CCCN1CCCCCCCCCO 34a_100020641767_100009813782 [1,0,0,1,0,0|2,0,0]=4 331 B20R1.67690 CCCCCCCCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000210759 [1,0,0,1,0,0|2,0,0]=4 332 B20R1.67690 CCCCCCCCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000210759 [1,0,0,1,0,0|2,0,0]=4 333 B20R1.72747 CCOC(=O)CCCCCCN1CCCCCCCC1 2230a_100000039187_100009814379 [1,0,0,1,0,0|2,0,0]=4 334 B20R1.72747 CCOC(=O)CCCCCCN1CCCCCCCC1 269982a_100000039187_100009814379 [1,0,0,1,0,0|2,0,0]=4 335 B20R1.72747 CCOC(=O)CCCCCCN1CCCCCCCC1 34a_100000039187_100009814379 [1,0,0,1,0,0|2,0,0]=4 336 B20R1.121981 CCCCCCCCCCCCCCNC(=O)C1CO1 11a_100011217771_100000701028 [1,0,0,1,0,0|1,0,0]=3 337 B20R1.121981 CCCCCCCCCCCCCCNC(=O)C1CO1 1626a_100011217771_100000701028 [1,0,0,1,0,0|1,0,0]=3 338 B20R1.121981 CCCCCCCCCCCCCCNC(=O)C1CO1 240690a_100011217771_100000701028 [1,0,0,1,0,0|1,0,0]=3 339 B20R1.121981 CCCCCCCCCCCCCCNC(=O)C1CO1 527a_100011217771_100000701028 [1,0,0,1,0,0|1,0,0]=3 340 B20R1.439907 CCCCCCCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100011215052 [1,0,0,1,0,0|1,0,0]=3 341 B20R1.439907 CCCCCCCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000759014 [1,0,0,1,0,0|1,0,0]=3 342 B20R1.439907 CCCCCCCCCCCCN1CCNC(=O)CC1 270004a_100000698595_100011218549 [1,0,0,1,0,0|1,0,0]=3 343 B20R1.439907 O=C1CCN(CCN1)CCCCCCCCCCCO 2230a_100000698595_100009812471 [1,0,0,1,0,0|2,0,0]=4 344 B20R1.439907 O=C1CCN(CCN1)CCCCCCCCCCCO 269982a_100000698595_100009812471 [1,0,0,1,0,0|2,0,0]=4 345 B20R1.548780 CN(CCO)C1CCCCCCCCCCCCCC1 270004a_100000210263_100000040017 [1,0,0,1,0,0|2,0,0]=4 346 B20R1.560599 CCOC(=O)CCCCCCCN1CCCCCCC1 2230a_100000211400_100009991516 [1,0,0,1,0,0|2,0,0]=4 347 B20R1.560599 CCOC(=O)CCCCCCCN1CCCCCCC1 269982a_100000211400_100009991516 [1,0,0,1,0,0|2,0,0]=4 348 B20R1.560599 CCOC(=O)CCCCCCCN1CCCCCCC1 34a_100000211400_100009991516 [1,0,0,1,0,0|2,0,0]=4 349 B20R1.560599 CCOC(=O)CCCCCCNC1CCCCCCC1 2230a_100000211152_100009814379 [1,0,0,1,0,0|2,0,0]=4 350 B20R1.560599 CCOC(=O)CCCCCCNC1CCCCCCC1 34a_100000211152_100009814379 [1,0,0,1,0,0|2,0,0]=4 351 B20R1.560599 CCOC(=O)CCCCCCOC1CCCCCCC1 34a_100000210054_100009814379 [1,0,0,1,0,0|2,0,0]=4 352 B20R1.560599 CCOC(=O)CCCCCCOC1CCCCCCC1 7a_100000210054_100009814379 [1,0,0,1,0,0|2,0,0]=4 353 B20R1.560599 CCOC(=O)CCCCCOCC1CCCCCCC1 34a_100011216312_100000755133 [1,0,0,1,0,0|2,0,0]=4 354 B20R1.560599 CCOC(=O)CCCCCOCC1CCCCCCC1 7a_100011216312_100000755133 [1,0,0,1,0,0|2,0,0]=4 355 B20R1.560599 CCOC(=O)CCCCNCCC1CCCCCCC1 2230a_100011532352_100000750268 [1,0,0,1,0,0|2,0,0]=4 356 B20R1.560599 CCOC(=O)CCCCNCCC1CCCCCCC1 34a_100011532352_100000750268 [1,0,0,1,0,0|2,0,0]=4 357 B20R1.566526 CCOC(=O)CCCCCCCCN1CCCCCC1 2230a_100000185865_100010175975 [1,0,0,1,0,0|2,0,0]=4 358 B20R1.566526 CCOC(=O)CCCCCCCCN1CCCCCC1 269982a_100000185865_100010175975 [1,0,0,1,0,0|2,0,0]=4 359 B20R1.566526 CCOC(=O)CCCCCCCCN1CCCCCC1 34a_100000185865_100010175975 [1,0,0,1,0,0|2,0,0]=4 360 B20R1.566526 CCOC(=O)CCCCCCCNC1CCCCCC1 2230a_100000210984_100009991516 [1,0,0,1,0,0|2,0,0]=4 361 B20R1.566526 CCOC(=O)CCCCCCCNC1CCCCCC1 34a_100000210984_100009991516 [1,0,0,1,0,0|2,0,0]=4 362 B20R1.566526 CCOC(=O)CCCCCCCOC1CCCCCC1 34a_100000210887_100009991516 [1,0,0,1,0,0|2,0,0]=4 363 B20R1.566526 CCOC(=O)CCCCCCCOC1CCCCCC1 7a_100000210887_100009991516 [1,0,0,1,0,0|2,0,0]=4 364 B20R1.566526 CCOC(=O)CCCCCCNCC1CCCCCC1 2230a_100015204231_100009814379 [1,0,0,1,0,0|2,0,0]=4 365 B20R1.566526 CCOC(=O)CCCCCCNCC1CCCCCC1 34a_100015204231_100009814379 [1,0,0,1,0,0|2,0,0]=4 366 B20R1.566526 CCOC(=O)CCCCCCOCC1CCCCCC1 34a_100000699130_100009814379 [1,0,0,1,0,0|2,0,0]=4 367 B20R1.566526 CCOC(=O)CCCCCCOCC1CCCCCC1 7a_100000699130_100009814379 [1,0,0,1,0,0|2,0,0]=4 368 B20R1.566526 CCOC(=O)CCCCCNCCC1CCCCCC1 2230a_100011532351_100000755133 [1,0,0,1,0,0|2,0,0]=4 369 B20R1.566526 CCOC(=O)CCCCCNCCC1CCCCCC1 34a_100011532351_100000755133 [1,0,0,1,0,0|2,0,0]=4 370 B20R1.3890 CCCNC(=O)CCCOCCCCC1CCCCC1 7a_100011215267_100011194427 [1,0,0,1,0,0|2,0,0]=4 371 B20R1.51434 CC1CCCCCCCCCCCCC(C1)NCCO 270004a_100000210304_100016990464 [1,0,0,1,0,0|1,0,1]=4 372 B20R1.69167 CCCNC(=O)CNC1CCCCCCCCCCC1 2230a_100011194316_100000183358 [1,0,0,1,0,0|2,0,0]=4 373 B20R1.69167 CCCNC(=O)CNC1CCCCCCCCCCC1 270004a_100000174927_100000210130 [1,0,0,1,0,0|2,0,0]=4 374 B20R1.69167 CCCNC(=O)CNC1CCCCCCCCCCC1 34a_100011194316_100000183358 [1,0,0,1,0,0|2,0,0]=4 375 B20R1.69167 CCCNC(=O)COC1CCCCCCCCCCC1 34a_100000211378_100000183358 [1,0,0,1,0,0|2,0,0]=4 376 B20R1.69167 CCCNC(=O)COC1CCCCCCCCCCC1 7a_100000211378_100000183358 [1,0,0,1,0,0|2,0,0]=4 377 B20R1.69167 O=C(CNC1CCCCCCCCCCC1)NCCF 270004a_100000725713_100000210130 [1,0,0,1,0,0|2,0,0]=4 378 B20R1.202095 CCCCCCCCCCCCCNC(=O)C1CCO1 11a_100011215765_100000089072 [1,0,0,1,0,0|2,0,0]=4 379 B20R1.202095 CCCCCCCCCCCCCNC(=O)C1CCO1 1626a_100011215765_100000089072 [1,0,0,1,0,0|2,0,0]=4 380 B20R1.202095 CCCCCCCCCCCCCNC(=O)C1CCO1 240690a_100011215765_100000089072 [1,0,0,1,0,0|2,0,0]=4 381 B20R1.202095 CCCCCCCCCCCCCNC(=O)C1CCO1 527a_100011215765_100000089072 [1,0,0,1,0,0|2,0,0]=4 382 B20R1.202095 CCCCCCCCCCCCCNC(=O)N1CCC1 2708a_100011215765_100000754969 [1,0,0,1,0,0|2,0,0]=4 383 B20R1.202095 CCCCCCCCCCCCCNC(=O)N1CCC1 273464a_100011215765_100000754969 [1,0,0,1,0,0|2,0,0]=4 384 B20R1.202095 CCCCCCCCCCCCNCC(=O)N1CCC1 2230a_100000210451_100000185095 [1,0,0,1,0,0|2,0,0]=4 385 B20R1.202095 CCCCCCCCCCCCNCC(=O)N1CCC1 34a_100000210451_100000185095 [1,0,0,1,0,0|2,0,0]=4 386 B20R1.202095 CCCCCCCCCCCCOCC(=O)N1CCC1 34a_100000210810_100000185095 [1,0,0,1,0,0|2,0,0]=4 387 B20R1.202095 CCCCCCCCCCCCOCC(=O)N1CCC1 7a_100000210810_100000185095 [1,0,0,1,0,0|2,0,0]=4 388 B20R1.202095 CCCCCCCCCCCCSCC(=O)N1CCC1 62a_100000185095_100000759014 [1,0,0,1,0,0|2,0,0]=4 389 B20R1.202095 O=C(CCCCCCCCCCCCCO)C1CCO1 1458a_100000089072_100009812470 [1,0,0,1,0,0|2,0,0]=4 390 B20R1.202095 O=C(CCCCCCCCCCCCCO)N1CCC1 240690a_100000754969_100020644313 [1,0,0,1,0,0|2,0,0]=4 391 B20R1.202097 CCCCCCCCCCCCCNC(=O)NC1CC1 2708a_100000212008_100011215765 [1,0,0,1,0,0|2,0,0]=4 392 B20R1.202097 CCCCCCCCCCCCCNC(=O)NC1CC1 2708a_100011215765_100000212008 [1,0,0,1,0,0|2,0,0]=4 393 B20R1.202097 CCCCCCCCCCCCCNC(=O)NC1CC1 273464a_100000212008_100011215765 [1,0,0,1,0,0|2,0,0]=4 394 B20R1.202097 CCCCCCCCCCCCCNC(=O)NC1CC1 273464a_100011215765_100000212008 [1,0,0,1,0,0|2,0,0]=4 395 B20R1.202097 CCCCCCCCCCCCCNC(=O)NC1CC1 512a_100000212008_100011215765 [1,0,0,1,0,0|2,0,0]=4 396 B20R1.202097 CCCCCCCCCCCCNCC(=O)NC1CC1 2230a_100000210451_100000182950 [1,0,0,1,0,0|2,0,0]=4 397 B20R1.202097 CCCCCCCCCCCCNCC(=O)NC1CC1 2230a_100000702991_100011215052 [1,0,0,1,0,0|2,0,0]=4 398 B20R1.202097 CCCCCCCCCCCCNCC(=O)NC1CC1 270004a_100000702991_100011218549 [1,0,0,1,0,0|2,0,0]=4 399 B20R1.202097 CCCCCCCCCCCCNCC(=O)NC1CC1 34a_100000210451_100000182950 [1,0,0,1,0,0|2,0,0]=4 400 B20R1.202097 CCCCCCCCCCCCOCC(=O)NC1CC1 34a_100000210810_100000182950 [1,0,0,1,0,0|2,0,0]=4 401 B20R1.202097 CCCCCCCCCCCCOCC(=O)NC1CC1 7a_100000210810_100000182950 [1,0,0,1,0,0|2,0,0]=4 402 B20R1.202097 CCCCCCCCCCCCSCC(=O)NC1CC1 62a_100000182950_100000759014 [1,0,0,1,0,0|2,0,0]=4 403 B20R1.202097 CCCCCCCCCCCNCCC(=O)NC1CC1 2230a_200011215754_100000737409 [1,0,0,1,0,0|2,0,0]=4 404 B20R1.202097 CCCCCCCCCCCNCCC(=O)NC1CC1 34a_200011215754_100000737409 [1,0,0,1,0,0|2,0,0]=4 405 B20R1.202097 CCCCCCCCCCCOCCC(=O)NC1CC1 34a_100000210809_100000737409 [1,0,0,1,0,0|2,0,0]=4 406 B20R1.202097 CCCCCCCCCCCSCCC(=O)NC1CC1 62a_100000737409_100011215454 [1,0,0,1,0,0|2,0,0]=4 407 B20R1.202097 O=C(CCCCCCCCCCCCCO)NC1CC1 240690a_100000212008_100020644313 [1,0,0,1,0,0|2,0,0]=4 408 B20R1.439906 CCCCCCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100011215052 [1,0,0,1,0,0|2,0,0]=4 409 B20R1.439906 CCCCCCCCCCCCN1CCCNC(=O)C1 270004a_100015190381_100011218549 [1,0,0,1,0,0|2,0,0]=4 410 B20R1.659646 CCCCCCCCCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100011215454 [1,0,0,1,0,0|2,0,0]=4 411 B20R1.659646 CCCCCCCCCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100011215454 [1,0,0,1,0,0|2,0,0]=4 412 B20R1.659646 CCCCCCCCCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100011215454 [1,0,0,1,0,0|2,0,0]=4 413 B20R1.769025 CCCCCCCC1CCCC1NCC(=O)NCCC 269862a_100000174927_200011216720 [1,0,0,1,0,0|2,0,0]=4 414 B20R1.769025 CCCCCCCC1CCCC1NCC(=O)NCCC 270004a_100000174927_200011216720 [1,0,0,1,0,0|2,0,0]=4 415 B20R1.769025 CCCCCCCC1CCCC1NCC(=O)NCCF 270004a_100000725713_200011216720 [1,0,0,1,0,0|2,0,0]=4 416 B20R1.795050 CCCNC(=O)CCCNCCC1CCCCCCC1 2230a_100011532352_100011194427 [1,0,0,1,0,0|2,0,0]=4 417 B22R1.3272 CCCCCCCCCCCCCNC1CCCCNC1=O 2230a_100000698827_100000210684 [0,1,0,1,0,0|2,0,0]=4 418 B22R1.3272 CCCCCCCCCCCCCNC1CCCCNC1=O 2230a_100011215765_100000735217 [0,1,0,1,0,0|2,0,0]=4 419 B22R1.3272 CCCCCCCCCCCCCNC1CCCCNC1=O 270004a_100000698827_200011215488 [0,1,0,1,0,0|2,0,0]=4 420 B22R1.3272 CCCCCCCCCCCCCNC1CCCCNC1=O 34a_100000698827_100000210684 [0,1,0,1,0,0|2,0,0]=4 421 B22R1.3272 CCCCCCCCCCCCCOC1CCCCNC1=O 7a_100000185773_100000735217 [0,1,0,1,0,0|2,0,0]=4 422 B22R1.3322 CCCCCCCCCCCCCCNC(=O)C1CCOC1 11a_100011217771_100011219752 [0,1,0,1,0,0|2,0,0]=4 423 B22R1.3322 CCCCCCCCCCCCCCNC(=O)C1CCOC1 1626a_100011217771_100011219752 [0,1,0,1,0,0|2,0,0]=4 424 B22R1.3322 CCCCCCCCCCCCCCNC(=O)C1CCOC1 240690a_100011217771_100011219752 [0,1,0,1,0,0|2,0,0]=4 425 B22R1.3322 CCCCCCCCCCCCCCNC(=O)C1CCOC1 527a_100011217771_100011219752 [0,1,0,1,0,0|2,0,0]=4 426 B22R1.3322 CCCCCCCCCCCCCCNC(=O)[C@@H]1CCCO1 11a_100011217771_100000686382 [0,1,0,1,0,0|2,0,0]=4 427 B22R1.3322 CCCCCCCCCCCCCCNC(=O)[C@@H]1CCCO1 1626a_100011217771_100000686382 [0,1,0,1,0,0|2,0,0]=4 428 B22R1.3322 CCCCCCCCCCCCCCNC(=O)[C@@H]1CCCO1 240690a_100011217771_100000686382 [0,1,0,1,0,0|2,0,0]=4 429 B22R1.3322 CCCCCCCCCCCCCCNC(=O)[C@@H]1CCCO1 527a_100011217771_100000686382 [0,1,0,1,0,0|2,0,0]=4 430 B22R1.3322 CCCCCCCCCCCCCNCC(=O)N1CCCC1 2230a_100000751844_100000210684 [0,1,0,1,0,0|2,0,0]=4 431 B22R1.3322 CCCCCCCCCCCCCNCC(=O)N1CCCC1 2230a_100011215765_100000183516 [0,1,0,1,0,0|2,0,0]=4 432 B22R1.3322 CCCCCCCCCCCCCNCC(=O)N1CCCC1 270004a_100000751844_200011215488 [0,1,0,1,0,0|2,0,0]=4 433 B22R1.3322 CCCCCCCCCCCCCNCC(=O)N1CCCC1 34a_100011215765_100000183516 [0,1,0,1,0,0|2,0,0]=4 434 B22R1.3322 CCCCCCCCCCCCCOCC(=O)N1CCCC1 34a_100000185773_100000183516 [0,1,0,1,0,0|2,0,0]=4 435 B22R1.3322 CCCCCCCCCCCCCOCC(=O)N1CCCC1 7a_100000185773_100000183516 [0,1,0,1,0,0|2,0,0]=4 436 B22R1.3322 CCCCCCCCCCCCCOCC(=O)N1CCCC1 7a_200000752455_100000210684 [0,1,0,1,0,0|2,0,0]=4 437 B22R1.3322 CCCCCCCCCCCCNCCC(=O)N1CCCC1 2230a_100000210451_100011194422 [0,1,0,1,0,0|2,0,0]=4 438 B22R1.3322 CCCCCCCCCCCCNCCC(=O)N1CCCC1 270004a_100015186530_100011218549 [0,1,0,1,0,0|2,0,0]=4 439 B22R1.3322 CCCCCCCCCCCCNCCC(=O)N1CCCC1 34a_100000210451_100011194422 [0,1,0,1,0,0|2,0,0]=4 440 B22R1.3322 CCCCCCCCCCCCOCCC(=O)N1CCCC1 34a_100000210810_100011194422 [0,1,0,1,0,0|2,0,0]=4 441 B22R1.3322 CCCCCCCCCCCCOCCC(=O)N1CCCC1 7a_100000210810_100011194422 [0,1,0,1,0,0|2,0,0]=4 442 B22R1.3322 O=C(CCCCCCCCCCCCCCO)N1CCCC1 240690a_100000188435_100000122395 [0,1,0,1,0,0|2,0,0]=4 443 B22R1.3322 O=C(CCCCCCCCCCCCCCO)N1CCSC1 240690a_100011215254_100000122395 [0,1,0,1,0,0|1,1,0]=4 444 B22R1.183556 CCCCCC/C=C\CCCCCCCC(=O)NC1COC1 11a_100016991112_100020587579 [0,1,0,1,0,0|0,0,2]=4 445 B22R1.183556 CCCCCC/C=C\CCCCCCCC(=O)NC1COC1 1626a_100016991112_100020587579 [0,1,0,1,0,0|0,0,2]=4 446 B22R1.183556 CCCCCC/C=C\CCCCCCCC(=O)NC1COC1 240690a_100016991112_100020587579 [0,1,0,1,0,0|0,0,2]=4 447 B22R1.183556 CCCCCC/C=C\CCCCCCCC(=O)NC1COC1 527a_100016991112_100020587579 [0,1,0,1,0,0|0,0,2]=4 448 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1COC1 2708a_100011217771_100016991112 [0,1,0,1,0,0|1,0,0]=3 449 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1COC1 2708a_100016991112_100011217771 [0,1,0,1,0,0|1,0,0]=3 450 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1COC1 273464a_100011217771_100016991112 [0,1,0,1,0,0|1,0,0]=3 451 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1COC1 273464a_100016991112_100011217771 [0,1,0,1,0,0|1,0,0]=3 452 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1COC1 512a_100011217771_100016991112 [0,1,0,1,0,0|1,0,0]=3 453 B22R1.183556 CCCCCCCCCCCCCCNC(=O)NC1COC1 512a_100016991112_100011217771 [0,1,0,1,0,0|1,0,0]=3 454 B22R1.183558 CC1CCN1C(=O)CCCCCCCCCCCCCCO 240690a_100000755817_100000122395 [0,1,0,1,0,0|2,0,0]=4 455 B22R1.18042 CCCCCCCCCCCCCCNC1CCCNC1=O 2230a_100000747585_100011215471 [0,1,0,1,0,0|1,0,0]=3 456 B22R1.18042 CCCCCCCCCCCCCCNC1CCCNC1=O 2230a_100011217771_100000687798 [0,1,0,1,0,0|1,0,0]=3 457 B22R1.18042 CCCCCCCCCCCCCCNC1CCCNC1=O 270004a_100000747585_200011216147 [0,1,0,1,0,0|1,0,0]=3 458 B22R1.18042 CCCCCCCCCCCCCCNC1CCCNC1=O 34a_100000747585_100011215471 [0,1,0,1,0,0|1,0,0]=3 459 B22R1.18042 CCCCCCCCCCCCCCNC1CCCNC1=O 34a_100011217771_100000687798 [0,1,0,1,0,0|1,0,0]=3 460 B22R1.18042 CCCCCCCCCCCCCCOC1CCCNC1=O 34a_100000073722_100011215471 [0,1,0,1,0,0|1,0,0]=3 461 B22R1.18042 CCCCCCCCCCCCCCOC1CCCNC1=O 34a_100000210739_100000687798 [0,1,0,1,0,0|1,0,0]=3 462 B22R1.18042 CCCCCCCCCCCCCCOC1CCCNC1=O 7a_100000210739_100000687798 [0,1,0,1,0,0|1,0,0]=3 463 B22R1.18042 CCCCCCCCCCCCOCCC1NCCNC1=O 34a_100000044719_100000759014 [0,1,0,1,0,0|1,0,0]=3 464 B22R1.18042 CCCCCCCCCCCOCCOC1CCCNC1=O 34a_100010166600_100000687798 [0,1,0,1,0,0|2,0,0]=4 465 B22R1.18042 CCCCCCCCCCCOCCOC1CCCNC1=O 7a_100010166600_100000687798 [0,1,0,1,0,0|2,0,0]=4 466 B22R1.18042 O=C1NCCCC1NCCCCCCCCCCCCCO 2230a_100000747585_100009812470 [0,1,0,1,0,0|2,0,0]=4 467 B22R1.18042 O=C1NCCCC1NCCCCCCCCCCCCCO 34a_100000747585_100009812470 [0,1,0,1,0,0|2,0,0]=4 468 B22R1.18042 O=C1NCCCC1OCCCCCCCCCCCCCBr 34a_100009812470_100000687798 [0,1,0,1,0,0|2,0,0]=4 469 B22R1.18042 O=C1NCCCC1OCCCCCCCCCCCCCBr 7a_100009812470_100000687798 [0,1,0,1,0,0|2,0,0]=4 470 B22R1.18042 O=C1NCCCC1OCCCCCCCCCCCCCO 34a_100000073722_100009812470 [0,1,0,1,0,0|2,0,0]=4 471 B22R1.18042 O=C1NCCCC1SCCCCCCCCCCCCCO 62a_100009812470_100000687798 [0,1,0,1,0,0|2,0,0]=4 472 B22R1.18042 O=C1NCCNC1CCOCCCCCCCCCCCO 34a_100000044719_100009812471 [0,1,0,1,0,0|2,0,0]=4 473 B22R1.160131 CCCNC(=O)CCCNC1CCCCCCCCCCC1 2230a_100011194316_100011194427 [0,1,0,1,0,0|1,0,0]=3 474 B22R1.160131 CCCNC(=O)CCCOC1CCCCCCCCCCC1 7a_100000211378_100011194427 [0,1,0,1,0,0|1,0,0]=3 475 B22R1.522247 CCCCCCCCCCCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210684 [0,1,0,1,0,0|1,0,0]=3 476 B22R1.522247 CCCCCCCCCCCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210684 [0,1,0,1,0,0|1,0,0]=3 477 B22R1.522247 CCCCCCCCCCCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210684 [0,1,0,1,0,0|1,0,0]=3 478 B22R1.522247 C[C@H]1CNC(=O)CCN1CCCCCCCCCCCCO 2230a_102125656889_100009813331 [0,1,0,1,0,0|2,0,0]=4 479 B22R1.522247 C[C@H]1CNC(=O)CCN1CCCCCCCCCCCCO 269982a_102125656889_100009813331 [0,1,0,1,0,0|2,0,0]=4 480 B22R1.522247 C[C@H]1CNC(=O)CCN1CCCCCCCCCCCCO 34a_102125656889_100009813331 [0,1,0,1,0,0|2,0,0]=4 481 B22R1.1619125 CCCCCCCCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100011215471 [0,1,0,1,0,0|1,0,0]=3 482 B22R1.1619125 CCCCCCCCCCCCCCN1CCCNC(=O)C1 270004a_100015190381_200011216147 [0,1,0,1,0,0|1,0,0]=3 483 B22R1.1619125 O=C1CN(CCCN1)CCCCCCCCCCCCCO 2230a_100015190381_100009812470 [0,1,0,1,0,0|2,0,0]=4 484 B22R1.9127209 CCCCCCCCCCCCN1CCNC(=O)C1CCO 2230a_100000044719_100011215052 [0,1,0,1,0,0|2,0,0]=4 485 B22R1.9127209 CCCCCCCCCCCCN1CCNC(=O)C1CCO 270004a_100000044719_100011218549 [0,1,0,1,0,0|2,0,0]=4 486 B22R1.9127209 CCCCCCCCCCCCN1CCNC(=O)C1CCO 34a_100000044719_100000759014 [0,1,0,1,0,0|2,0,0]=4 487 B22R1.21654 CCCCCCCCCCCCC(C)NC1CCCNC1=O 2230a_100000747585_200011217028 [0,1,0,1,0,0|2,0,0]=4 488 B22R1.21654 CCCCCCCCCCCCC(C)NC1CCCNC1=O 270004a_100000747585_100011219199 [0,1,0,1,0,0|2,0,0]=4 489 B22R1.21654 CCCCCCCCCCCCC(C)NC1CCCNC1=O 34a_100000747585_200011217028 [0,1,0,1,0,0|2,0,0]=4 490 B22R1.21654 CCCCCCCCCCCCC(C)OC1CCCNC1=O 34a_100000073722_200011217028 [0,1,0,1,0,0|2,0,0]=4 491 B22R1.21654 CCCCCCCCCCCCC(C)OC1CCCNC1=O 34a_200011215752_100000687798 [0,1,0,1,0,0|2,0,0]=4 492 B22R1.21654 CCCCCCCCCCCCC(C)OC1CCCNC1=O 7a_200011215752_100000687798 [0,1,0,1,0,0|2,0,0]=4 493 B22R1.556601 CCCCCCCCCCCCC(C)N1CCCNC(=O)C1 2230a_100015190381_200011217028 [0,1,0,1,0,0|2,0,0]=4 494 B22R1.556601 CCCCCCCCCCCCC(C)N1CCCNC(=O)C1 270004a_100015190381_100011219199 [0,1,0,1,0,0|2,0,0]=4 495 B22R1.1400901 CCCCCCCCCCCCC(C)OCC(=O)N1CCC1 34a_200011215752_100000185095 [0,1,0,1,0,0|2,0,0]=4 496 B22R1.1400901 CCCCCCCCCCCCC(C)OCC(=O)N1CCC1 7a_200011215752_100000185095 [0,1,0,1,0,0|2,0,0]=4 497 B22R1.273970 CCCCCCCCC(=O)C1CCCCC1C(=O)NCCC 1458a_200000199539_100000210759 [0,1,0,1,0,0|1,0,1]=4 498 B22R1.120380 CCCCCCCCCCCCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210684 [0,1,0,1,0,0|1,0,1]=4 499 B22R1.120380 CCCCCCCCCCCCCC(=O)C1CCCNC1=O 1458a_100000756256_100000687798 [0,1,0,1,0,0|1,0,1]=4 500 B22R1.522218 CCCCCCCCCCCCNC1CC(=O)N(C1)CCC 2230a_100015185084_100011215052 [0,1,0,1,0,0|2,0,0]=4 501 B22R1.522218 CCCCCCCCCCCCNC1CC(=O)N(C1)CCC 270004a_100015185084_100011218549 [0,1,0,1,0,0|2,0,0]=4 502 B22R1.522218 CCCCCCCCCCCCNC1CC(=O)N(C1)CCC 34a_100015185084_100000759014 [0,1,0,1,0,0|2,0,0]=4 503 B22R1.858657 CCCCCCCCCCCCCC(=O)CC(=O)N1CCC1 1458a_100000756256_100000185095 [0,1,0,1,0,0|1,0,1]=4 504 B22R1.858878 CCCCCCCCCCN1CCCC(C1)C(=O)NCCO 2230a_200011275841_100000210320 [0,1,0,1,0,0|1,0,0]=3 505 B22R1.858878 CCCCCCCCCCN1CCCC(C1)C(=O)NCCO 269982a_200011275841_100000210320 [0,1,0,1,0,0|1,0,0]=3 506 B22R1.858878 CCCCCCCCCCN1CCCC(C1)C(=O)NCCO 34a_200011275841_100000210320 [0,1,0,1,0,0|1,0,0]=3 507 B22R1.858878 O=C(NCCO)C1CCCN(C1)CCCCCCCCCO 2230a_200011275841_100009813782 [0,1,0,1,0,0|2,0,0]=4 508 B22R1.858878 O=C(NCCO)C1CCCN(C1)CCCCCCCCCO 269982a_200011275841_100009813782 [0,1,0,1,0,0|2,0,0]=4 509 B22R1.858878 O=C(NCCO)C1CCCN(C1)CCCCCCCCCO 34a_200011275841_100009813782 [0,1,0,1,0,0|2,0,0]=4 510 B22R1.1400914 CCCCCCCCCCCCCCC(O)C(=O)N1CCC1 240690a_100000754969_100000124682 [0,1,0,1,0,0|1,0,0]=3 511 B22R1.183559 CC1CN(C1)C(=O)CCCCCCCCCCCCCCO 240690a_100000702820_100000122395 [0,1,0,1,0,0|2,0,0]=4 512 B22R1.183559 CCCCCC/C=C\CCCCCCCC(=O)N1CC(C1)O 11a_100000749847_100020587579 [0,1,0,1,0,0|0,0,2]=4 513 B22R1.183559 CCCCCC/C=C\CCCCCCCC(=O)N1CC(C1)O 240690a_100000749847_100020587579 [0,1,0,1,0,0|0,0,2]=4 514 B22R1.183559 CCCCCC/C=C\CCCCCCCC(=O)N1CC(C1)O 527a_100000749847_100020587579 [0,1,0,1,0,0|0,0,2]=4 515 B22R1.183559 CCCCCCCCCCCCCCCC(=O)N1CC(C1)O 11a_100000749847_100000610636 [0,1,0,1,0,0|0,0,0]=2 516 B22R1.183559 CCCCCCCCCCCCCCCC(=O)N1CC(C1)O 240690a_100000749847_100000610636 [0,1,0,1,0,0|0,0,0]=2 517 B22R1.183559 CCCCCCCCCCCCCCNC(=O)N1CC(C1)O 2708a_100011217771_100000749847 [0,1,0,1,0,0|1,0,0]=3 518 B22R1.183559 CCCCCCCCCCCCCCNC(=O)N1CC(C1)O 273464a_100011217771_100000749847 [0,1,0,1,0,0|1,0,0]=3 519 B22R1.183559 CCCCCCCCCCCCCCNC(=O)[C@H]1C[C@H](C1)O 240690a_100011217771_100015266633 [0,1,0,1,0,0|2,0,0]=4 520 B22R1.183559 CCCCCCCCCCCCCCNC(=O)[C@H]1C[C@H](C1)O 527a_100011217771_100015266633 [0,1,0,1,0,0|2,0,0]=4 521 B22R1.183559 CCCCCCCCCCCCCNCC(=O)N1CC(C1)O 2230a_100011215765_100013143841 [0,1,0,1,0,0|1,0,0]=3 522 B22R1.183559 CCCCCCCCCCCCCNCC(=O)N1CC(C1)O 34a_100011215765_100013143841 [0,1,0,1,0,0|1,0,0]=3 523 B22R1.183559 CCCCCCCCCCCCCOCC(=O)N1CC(C1)O 34a_100000185773_100013143841 [0,1,0,1,0,0|1,0,0]=3 524 B22R1.183559 CCCCCCCCCCCCCOCC(=O)N1CC(C1)O 7a_100000185773_100013143841 [0,1,0,1,0,0|1,0,0]=3 525 B22R1.183559 CCCCCCCCCCCCCSCC(=O)N1CC(C1)O 62a_100013143841_100011934334 [0,1,0,1,0,0|1,0,0]=3 526 B22R1.183559 CCCCCCCCCCCCSCCC(=O)N1CC(C1)O 11a_100000749847_100008107568 [0,1,0,1,0,0|1,0,0]=3 527 B22R1.183559 CCCCCCCCCCCCSCCC(=O)N1CC(C1)O 240690a_100000749847_100008107568 [0,1,0,1,0,0|1,0,0]=3 528 B22R1.183559 CCCCCCCCCCSCCOCC(=O)N1CC(C1)O 34a_100011628728_100013143841 [0,1,0,1,0,0|2,0,0]=4 529 B22R1.183559 CCCCCCCCCCSCCOCC(=O)N1CC(C1)O 7a_100011628728_100013143841 [0,1,0,1,0,0|2,0,0]=4 530 B22R1.183559 NCCCCCCCCCCCCOCC(=O)N1CC(C1)O 34a_100000066677_100013143841 [0,1,0,1,0,0|2,0,0]=4 531 B22R1.183559 O=C(CCCCCCCCCCCCCCO)N1CC(C1)F 240690a_100000690557_100000122395 [0,1,0,1,0,0|2,0,0]=4 532 B22R1.183559 O=C(CCCCCCCCCCCCCCO)N1CC(C1)O 240690a_100000749847_100000122395 [0,1,0,1,0,0|1,0,0]=3 533 B22R1.183559 O=C(CNCCCCCCCCCCCCO)N1CC(C1)O 2230a_100000066677_100013143841 [0,1,0,1,0,0|2,0,0]=4 534 B22R1.183559 O=C(CNCCCCCCCCCCCCO)N1CC(C1)O 34a_100000066677_100013143841 [0,1,0,1,0,0|2,0,0]=4 535 B22R1.183559 O=C(COCCCCCCCCCCCCBr)N1CC(C1)O 34a_100009813331_100013143841 [0,1,0,1,0,0|2,0,0]=4 536 B22R1.183559 O=C(COCCCCCCCCCCCCBr)N1CC(C1)O 7a_100009813331_100013143841 [0,1,0,1,0,0|2,0,0]=4 537 B22R1.522237 CCCCCCCCCCCCCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210684 [0,1,0,1,0,0|2,0,0]=4 538 B22R1.522237 CCCCCCCCCCCCCN1CCCN(C(=O)C1)C 269982a_100000709885_100000210684 [0,1,0,1,0,0|2,0,0]=4 539 B22R1.522237 CCCCCCCCCCCCCN1CCCN(C(=O)C1)C 270004a_100000709885_200011215488 [0,1,0,1,0,0|2,0,0]=4 540 B22R1.522237 CCCCCCCCCCCCCN1CCCN(C(=O)C1)C 34a_100000709885_100000210684 [0,1,0,1,0,0|2,0,0]=4 541 B22R1.858921 CCCCCCCCCCCCCN1CC(=O)N(C[C@@H]1C)C 2230a_100016994881_100000210684 [0,1,0,1,0,0|2,0,0]=4 542 B22R1.858921 CCCCCCCCCCCCCN1CC(=O)N(C[C@@H]1C)C 269982a_100016994881_100000210684 [0,1,0,1,0,0|2,0,0]=4 543 B22R1.858921 CCCCCCCCCCCCCN1CC(=O)N(C[C@@H]1C)C 270004a_100016994881_200011215488 [0,1,0,1,0,0|2,0,0]=4 544 B22R1.858921 CCCCCCCCCCCCCN1CC(=O)N(C[C@@H]1C)C 34a_100016994881_100000210684 [0,1,0,1,0,0|2,0,0]=4 545 B22R2.5077 CCCNC(=O)CCCN1CCCCC1C2CCCCC2 2230a_100011219272_100011194427 [0,0,0,2,0,0|2,0,0]=4 546 B22R2.5077 CCCNC(=O)CCCN1CCCCC1C2CCCCC2 269982a_100011219272_100011194427 [0,0,0,2,0,0|2,0,0]=4 547 B22R2.35083808 O=C(CCNC1CCCCCCCCCCC1)NC2CC2 2230a_100011194316_100000737409 [0,0,0,2,0,0|2,0,0]=4 548 B22R2.35083808 O=C(CCNC1CCCCCCCCCCC1)NC2CC2 34a_100011194316_100000737409 [0,0,0,2,0,0|2,0,0]=4 549 B22R2.35083808 O=C(CCOC1CCCCCCCCCCC1)NC2CC2 34a_100000211378_100000737409 [0,0,0,2,0,0|2,0,0]=4