0 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.148 C#CCCCCCNCC(=O)N 2230a_100000711301_100012094781 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.148 C#CCCCCCOCC(=O)N 34a_100000766912_100000187820 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.148 C#CCCCCCOCC(=O)N 7a_100000766912_100000187820 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.148 C#CCCCCCOCC(=O)[O-] 34a_100000766912_100020667443 [0,0,0,0,0,0|1,0,3]=4 9 B11R0.148 C#CCCCCCSCC(=O)N 62a_100000747473_100012094781 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.148 C#CCCCCCSCC(=O)N 62a_100012094781_100000747473 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100012094781_100020667443 [0,0,0,0,0,0|1,0,3]=4 12 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100020667443_100012094781 [0,0,0,0,0,0|1,0,3]=4 13 B11R0.148 C#CCCCCNCCC(=O)N 2230a_100000706060_100000744528 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.148 C#CCCCCNCCC(=O)N 34a_100000706060_100000731001 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.148 C#CCCCCNOCC(=O)O 269956a_100000106656_100010269958 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000757172_100010269958 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000766709_100000731001 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000757172_100010269958 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000766709_100000744528 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.148 C#CCCCCSCCC(=O)C 62a_100000053229_100010269958 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.148 C#CCCCCSCCC(=O)C 62a_100010269958_100000053229 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.148 C#CCCCCSCCC(=O)N 62a_100000744528_100010269958 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.148 C#CCCCCSCCC(=O)N 62a_100010269958_100000744528 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.148 C#CCCCNCCCC(=O)C 34a_100000718082_100000685027 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000718082_100102525003 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000739312_100000695029 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.148 C#CCCCOCCCC(=O)N 34a_100000215630_100102525003 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.148 C#CCCCOCCCC(=O)N 7a_100000215630_100102525003 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215417_100011215641 [0,0,0,0,0,0|2,0,2]=4 37 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215641_100011215417 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.148 C#CCCCSCCCC(=O)N 62a_100011215417_100102525003 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.148 C#CCCCSCCCC(=O)N 62a_100102525003_100011215417 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.148 C#CCCNCCCCC(=O)C 34a_100000755551_100009817362 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.148 C#CCCNCCCCC(=O)N 34a_100000696515_100000688953 [0,0,0,0,0,0|2,0,2]=4 42 B11R0.148 C#CCCNCCOCC(=O)O 269956a_100000700818_100000688953 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.148 C#CCCOCCCCC(=O)N 34a_100012022536_100000688953 [0,0,0,0,0,0|2,0,2]=4 45 B11R0.148 C#CCCOCCCCC(=O)N 7a_100012022536_100000688953 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000688953_100000735457 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000735457_100000688953 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.148 C#CCNCCCCCC(=O)N 34a_100000212058_100009817443 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000123541_100000184674 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000210247_100009817443 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.148 C#CCOCCCCCC(=O)N 7a_100000123541_100000038162 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.148 C#CCOCCCCCC(=O)[O-] 7a_100102619762_100000038162 [0,0,0,0,0,0|1,0,3]=4 53 B11R0.148 C#CCSCCCCCC(=O)N 62a_100000038162_100009817443 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.148 C/C=C/CCOCCCC(=O)N 34a_100016278192_100102525003 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.148 C/C=C/CNCCCCC(=O)N 34a_100000696515_100102629194 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.148 C/C=C/CNCCOCC(=O)O 269956a_100000700818_100102629194 [0,0,0,0,0,0|2,0,2]=4 58 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.148 C/C=C/COCCCCC(=O)N 34a_100012022536_100102629194 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.148 C/C=C/COCCCCC(=O)N 7a_100012022536_100102629194 [0,0,0,0,0,0|2,0,2]=4 61 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [0,0,0,0,0,0|2,0,2]=4 62 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [0,0,0,0,0,0|2,0,2]=4 63 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000139335_100000730704 [0,0,0,0,0,0|4,0,0]=4 64 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000730704_100000139335 [0,0,0,0,0,0|4,0,0]=4 65 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000139337_100000211660 [0,0,0,0,0,0|4,0,0]=4 66 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000748629_100000139337 [0,0,0,0,0,0|4,0,0]=4 67 B11R0.148 C=C(F)CSCCCCCC=O 62a_100000042424_100000139337 [0,0,0,0,0,0|4,0,0]=4 68 B11R0.148 C=C(F)CSCCCCCC=O 62a_100000139337_100000042424 [0,0,0,0,0,0|4,0,0]=4 69 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,0,0,0,0,0|1,0,0]=1 70 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,0,0,0,0,0|1,0,0]=1 71 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,0,0,0,0,0|1,0,0]=1 72 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [0,0,0,0,0,0|3,0,0]=3 73 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [0,0,0,0,0,0|3,0,0]=3 74 B11R0.148 C=CCCCCCCNC(C)C 2230a_100138425928_100011215473 [0,0,0,0,0,0|3,0,1]=4 75 B11R0.148 C=CCCCCCCNC(C)C 34a_100138425928_100011215473 [0,0,0,0,0,0|3,0,1]=4 76 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [0,0,0,0,0,0|3,0,1]=4 77 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [0,0,0,0,0,0|3,0,1]=4 79 B11R0.148 C=CCCCCCCSC(C)C 62a_100000210206_100011215473 [0,0,0,0,0,0|3,0,1]=4 80 B11R0.148 C=CCCCCCCSC(C)C 62a_100011215473_100000210206 [0,0,0,0,0,0|3,0,1]=4 81 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [0,0,0,0,0,0|2,0,0]=2 82 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,0,0,0,0,0|1,0,0]=1 83 B11R0.148 C=CCCCCCNCC(C)C 2230a_100000210953_100000700193 [0,0,0,0,0,0|3,0,1]=4 84 B11R0.148 C=CCCCCCNCC(C)C 34a_100000210953_100000700193 [0,0,0,0,0,0|3,0,1]=4 85 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [0,0,0,0,0,0|2,0,1]=3 86 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [0,0,0,0,0,0|2,0,1]=3 87 B11R0.148 C=CCCCCCNCC(F)F 34a_100000765723_100000700193 [0,0,0,0,0,0|3,0,1]=4 88 B11R0.148 C=CCCCCCOCC(=C)C 34a_100000210245_100000700193 [0,0,0,0,0,0|3,0,0]=3 89 B11R0.148 C=CCCCCCOCC(=C)C 34a_100011216702_100000748629 [0,0,0,0,0,0|3,0,0]=3 90 B11R0.148 C=CCCCCCOCC(=C)C 7a_100011216702_100000748629 [0,0,0,0,0,0|3,0,0]=3 91 B11R0.148 C=CCCCCCOCC(=C)F 34a_100011216702_100009893438 [0,0,0,0,0,0|3,0,0]=3 92 B11R0.148 C=CCCCCCOCC(=C)F 34a_200010262243_100000700193 [0,0,0,0,0,0|3,0,0]=3 93 B11R0.148 C=CCCCCCOCC(=C)F 7a_100011216702_100000042424 [0,0,0,0,0,0|3,0,0]=3 94 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [0,0,0,0,0,0|2,0,0]=2 95 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [0,0,0,0,0,0|2,0,0]=2 96 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [0,0,0,0,0,0|2,0,0]=2 97 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [0,0,0,0,0,0|1,0,1]=2 98 B11R0.148 C=CCCCCCOCC(C)Br 34a_100012180447_100000700193 [0,0,0,0,0,0|3,0,1]=4 99 B11R0.148 C=CCCCCCOCC(C)C 34a_100000210257_100000700193 [0,0,0,0,0,0|3,0,1]=4 100 B11R0.148 C=CCCCCCOCC(C)C 34a_100011216702_100000210624 [0,0,0,0,0,0|3,0,1]=4 101 B11R0.148 C=CCCCCCOCC(C)C 7a_100011216702_100000210760 [0,0,0,0,0,0|3,0,1]=4 102 B11R0.148 C=CCCCCCOCC(C)F 34a_100015925927_100000700193 [0,0,0,0,0,0|3,0,1]=4 103 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [0,0,0,0,0,0|2,0,1]=3 104 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [0,0,0,0,0,0|2,0,1]=3 105 B11R0.148 C=CCCCCCOCC(F)F 34a_100000743014_100000700193 [0,0,0,0,0,0|3,0,1]=4 106 B11R0.148 C=CCCCCCOCC(F)F 34a_100011216702_100011934356 [0,0,0,0,0,0|3,0,1]=4 107 B11R0.148 C=CCCCCCOCC(F)F 7a_100011216702_100011934356 [0,0,0,0,0,0|3,0,1]=4 108 B11R0.148 C=CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000700193 [0,0,0,0,0,0|3,0,1]=4 109 B11R0.148 C=CCCCCCOC[C@@H](C)N 34a_100000737577_100000700193 [0,0,0,0,0,0|3,0,1]=4 110 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [0,0,0,0,0,0|2,0,1]=3 111 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [0,0,0,0,0,0|2,0,1]=3 112 B11R0.148 C=CCCCCCOC[N+](=O)[O-] 34a_100011216702_100000761209 [0,0,0,0,0,0|2,0,1]=3 113 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000700193_100000211660 [0,0,0,0,0,0|3,0,0]=3 114 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000748629_100000700193 [0,0,0,0,0,0|3,0,0]=3 115 B11R0.148 C=CCCCCCSCC(=C)F 62a_100000042424_100000700193 [0,0,0,0,0,0|3,0,0]=3 116 B11R0.148 C=CCCCCCSCC(=C)F 62a_100000700193_100000042424 [0,0,0,0,0,0|3,0,0]=3 117 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [0,0,0,0,0,0|2,0,0]=2 118 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [0,0,0,0,0,0|2,0,0]=2 119 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [0,0,0,0,0,0|1,0,1]=2 120 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [0,0,0,0,0,0|1,0,1]=2 121 B11R0.148 C=CCCCCCSCC(C)C 62a_100000210624_100000700193 [0,0,0,0,0,0|3,0,1]=4 122 B11R0.148 C=CCCCCCSCC(C)C 62a_100000700193_100000210760 [0,0,0,0,0,0|3,0,1]=4 123 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [0,0,0,0,0,0|2,0,1]=3 124 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [0,0,0,0,0,0|2,0,1]=3 125 B11R0.148 C=CCCCCCSCC(F)F 62a_100000700193_100011934356 [0,0,0,0,0,0|3,0,1]=4 126 B11R0.148 C=CCCCCCSCC(F)F 62a_100011934356_100000700193 [0,0,0,0,0,0|3,0,1]=4 127 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [0,0,0,0,0,0|2,0,1]=3 128 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [0,0,0,0,0,0|2,0,1]=3 129 B11R0.148 C=CCCCCCSC[N+](=O)[O-] 62a_100000700193_100000761209 [0,0,0,0,0,0|2,0,1]=3 130 B11R0.148 C=CCCCCNCC=C(C)C 2230a_100000703577_100000761012 [0,0,0,0,0,0|3,0,1]=4 131 B11R0.148 C=CCCCCNCC=C(C)C 34a_100000703577_100000761012 [0,0,0,0,0,0|3,0,1]=4 132 B11R0.148 C=CCCCCNCC=C(C)C 34a_100000718196_100011215482 [0,0,0,0,0,0|3,0,1]=4 133 B11R0.148 C=CCCCCNCCC(=C)C 2230a_100000703577_100000730704 [0,0,0,0,0,0|3,0,0]=3 134 B11R0.148 C=CCCCCNCCC(=C)C 34a_100000703577_100000730704 [0,0,0,0,0,0|3,0,0]=3 135 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [0,0,0,0,0,0|2,0,0]=2 136 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [0,0,0,0,0,0|2,0,0]=2 137 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [0,0,0,0,0,0|3,0,1]=4 138 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [0,0,0,0,0,0|3,0,1]=4 139 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [0,0,0,0,0,0|3,0,1]=4 140 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [0,0,0,0,0,0|2,0,1]=3 141 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [0,0,0,0,0,0|2,0,1]=3 142 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [0,0,0,0,0,0|2,0,1]=3 143 B11R0.148 C=CCCCCNCOC(=O)C 34a_100000703577_100009813279 [0,0,0,0,0,0|3,0,0]=3 144 B11R0.148 C=CCCCCNOCC(=O)O 269956a_100000106656_100011215482 [0,0,0,0,0,0|2,0,0]=2 145 B11R0.148 C=CCCCCOCC=C(C)C 34a_100000753907_100011215482 [0,0,0,0,0,0|3,0,1]=4 146 B11R0.148 C=CCCCCOCC=C(C)C 34a_100000766645_100000761012 [0,0,0,0,0,0|3,0,1]=4 147 B11R0.148 C=CCCCCOCC=C(C)C 7a_100000766645_100000761012 [0,0,0,0,0,0|3,0,1]=4 148 B11R0.148 C=CCCCCOCCC(=C)Br 34a_100009813270_100011215482 [0,0,0,0,0,0|3,0,0]=3 149 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000764851_100011215482 [0,0,0,0,0,0|3,0,0]=3 150 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000766645_100000730704 [0,0,0,0,0,0|3,0,0]=3 151 B11R0.148 C=CCCCCOCCC(=C)C 7a_100000766645_100000730704 [0,0,0,0,0,0|3,0,0]=3 152 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [0,0,0,0,0,0|2,0,0]=2 153 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [0,0,0,0,0,0|2,0,0]=2 154 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [0,0,0,0,0,0|2,0,0]=2 155 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [0,0,0,0,0,0|2,0,0]=2 156 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [0,0,0,0,0,0|2,0,0]=2 157 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [0,0,0,0,0,0|2,0,0]=2 158 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [0,0,0,0,0,0|2,0,0]=2 159 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [0,0,0,0,0,0|3,0,1]=4 160 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [0,0,0,0,0,0|3,0,1]=4 161 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [0,0,0,0,0,0|3,0,1]=4 162 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [0,0,0,0,0,0|3,0,1]=4 163 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [0,0,0,0,0,0|3,0,1]=4 164 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [0,0,0,0,0,0|2,0,1]=3 165 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [0,0,0,0,0,0|2,0,1]=3 166 B11R0.148 C=CCCCCOCCC(F)F 34a_100103093639_100011215482 [0,0,0,0,0,0|3,0,1]=4 167 B11R0.148 C=CCCCCOCCN(C)C 7a_100000766645_100000755713 [0,0,0,0,0,0|4,0,0]=4 168 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [0,0,0,0,0,0|3,0,1]=4 169 B11R0.148 C=CCCCCOCOC(=O)C 34a_100000766645_100009813279 [0,0,0,0,0,0|3,0,0]=3 170 B11R0.148 C=CCCCCSCC=C(C)C 62a_100000761012_100011215482 [0,0,0,0,0,0|3,0,1]=4 171 B11R0.148 C=CCCCCSCC=C(C)C 62a_100011215482_100000761012 [0,0,0,0,0,0|3,0,1]=4 172 B11R0.148 C=CCCCCSCCC(=C)C 62a_100000730704_100011215482 [0,0,0,0,0,0|3,0,0]=3 173 B11R0.148 C=CCCCCSCCC(=C)C 62a_100011215482_100000730704 [0,0,0,0,0,0|3,0,0]=3 174 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [0,0,0,0,0,0|2,0,0]=2 175 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [0,0,0,0,0,0|2,0,0]=2 176 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [0,0,0,0,0,0|2,0,0]=2 177 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [0,0,0,0,0,0|2,0,0]=2 178 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [0,0,0,0,0,0|3,0,1]=4 179 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [0,0,0,0,0,0|3,0,1]=4 180 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [0,0,0,0,0,0|2,0,1]=3 181 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [0,0,0,0,0,0|2,0,1]=3 182 B11R0.148 C=CCCCCSCCN(C)C 62a_100011215482_100000755713 [0,0,0,0,0,0|4,0,0]=4 183 B11R0.148 C=CCCCCSCOC(=O)C 62a_100000076356_100011215482 [0,0,0,0,0,0|3,0,0]=3 184 B11R0.148 C=CCCCCSCOC(=O)C 62a_100011215482_100000076356 [0,0,0,0,0,0|3,0,0]=3 185 B11R0.148 C=CCCCNCCC=C(C)C 2230a_100000700776_100011217483 [0,0,0,0,0,0|3,0,1]=4 186 B11R0.148 C=CCCCNCCC=C(C)C 34a_100000700776_100011217483 [0,0,0,0,0,0|3,0,1]=4 187 B11R0.148 C=CCCCNCCC=C(F)F 2230a_100000700776_200009816681 [0,0,0,0,0,0|3,0,1]=4 188 B11R0.148 C=CCCCNCCC=C(F)F 34a_100000700776_200009816681 [0,0,0,0,0,0|3,0,1]=4 189 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [0,0,0,0,0,0|2,0,0]=2 190 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [0,0,0,0,0,0|2,0,0]=2 191 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [0,0,0,0,0,0|2,0,0]=2 192 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [0,0,0,0,0,0|3,0,1]=4 193 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [0,0,0,0,0,0|3,0,1]=4 194 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [0,0,0,0,0,0|3,0,1]=4 195 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [0,0,0,0,0,0|2,0,1]=3 197 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [0,0,0,0,0,0|2,0,1]=3 198 B11R0.148 C=CCCCNCCCS(=O)C 2230a_200000753449_100011713584 [0,0,0,0,0,0|3,0,0]=3 199 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000209853_100011713584 [0,0,0,0,0,0|3,0,0]=3 200 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000700776_100000189650 [0,0,0,0,0,0|3,0,0]=3 201 B11R0.148 C=CCCCNCCNC(=O)N 2230a_100000700776_200000034859 [0,0,0,0,0,0|3,0,0]=3 202 B11R0.148 C=CCCCNCCNC(=O)N 34a_100020590234_100000757094 [0,0,0,0,0,0|3,0,0]=3 203 B11R0.148 C=CCCCNCCOC(=O)C 34a_100000700776_100009814007 [0,0,0,0,0,0|3,0,0]=3 204 B11R0.148 C=CCCCNCCOC(=O)N 34a_100000700776_200011214921 [0,0,0,0,0,0|3,0,0]=3 205 B11R0.148 C=CCCCOCCC=C(C)C 34a_100000758997_100011217483 [0,0,0,0,0,0|3,0,1]=4 206 B11R0.148 C=CCCCOCCC=C(C)C 7a_100000758997_100011217483 [0,0,0,0,0,0|3,0,1]=4 207 B11R0.148 C=CCCCOCCC=C(F)F 34a_100000758997_200009816681 [0,0,0,0,0,0|3,0,1]=4 208 B11R0.148 C=CCCCOCCC=C(F)F 7a_100000758997_200009816681 [0,0,0,0,0,0|3,0,1]=4 209 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [0,0,0,0,0,0|2,0,0]=2 210 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [0,0,0,0,0,0|2,0,0]=2 211 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [0,0,0,0,0,0|2,0,0]=2 212 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [0,0,0,0,0,0|2,0,0]=2 213 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [0,0,0,0,0,0|2,0,0]=2 214 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [0,0,0,0,0,0|2,0,0]=2 215 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [0,0,0,0,0,0|3,0,1]=4 216 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [0,0,0,0,0,0|3,0,1]=4 217 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [0,0,0,0,0,0|3,0,1]=4 218 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [0,0,0,0,0,0|3,0,1]=4 219 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [0,0,0,0,0,0|2,0,1]=3 220 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [0,0,0,0,0,0|2,0,1]=3 221 B11R0.148 C=CCCCOCCCN(C)C 7a_100000758997_100000757444 [0,0,0,0,0,0|4,0,0]=4 222 B11R0.148 C=CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000757094 [0,0,0,0,0,0|2,0,1]=3 223 B11R0.148 C=CCCCOCCNC(=O)C 34a_100000158858_100000757094 [0,0,0,0,0,0|3,0,0]=3 224 B11R0.148 C=CCCCOCCNC(=O)C 7a_100000758997_100000189650 [0,0,0,0,0,0|3,0,0]=3 225 B11R0.148 C=CCCCOCCNC(=O)N 34a_100000181757_100000757094 [0,0,0,0,0,0|3,0,0]=3 226 B11R0.148 C=CCCCOCCNC(=O)N 7a_100000758997_200000034859 [0,0,0,0,0,0|3,0,0]=3 227 B11R0.148 C=CCCCOCCOC(=O)C 34a_100000758997_100009814007 [0,0,0,0,0,0|3,0,0]=3 228 B11R0.148 C=CCCCOCCOC(=O)C 7a_100000758997_100009814007 [0,0,0,0,0,0|3,0,0]=3 229 B11R0.148 C=CCCCOCCOC(=O)N 34a_100000758997_200011214921 [0,0,0,0,0,0|3,0,0]=3 230 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000758997_200011214921 [0,0,0,0,0,0|3,0,0]=3 231 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000766696_100000757094 [0,0,0,0,0,0|3,0,0]=3 232 B11R0.148 C=CCCCSCCC=C(C)C 62a_100011217483_100000757094 [0,0,0,0,0,0|3,0,1]=4 233 B11R0.148 C=CCCCSCCC=C(C)C 62a_100011713584_100011217483 [0,0,0,0,0,0|3,0,1]=4 234 B11R0.148 C=CCCCSCCC=C(F)F 62a_100011713584_200009816681 [0,0,0,0,0,0|3,0,1]=4 235 B11R0.148 C=CCCCSCCC=C(F)F 62a_200009816681_100000757094 [0,0,0,0,0,0|3,0,1]=4 236 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [0,0,0,0,0,0|2,0,0]=2 237 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [0,0,0,0,0,0|2,0,0]=2 238 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [0,0,0,0,0,0|2,0,0]=2 239 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [0,0,0,0,0,0|2,0,0]=2 240 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [0,0,0,0,0,0|3,0,1]=4 241 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [0,0,0,0,0,0|3,0,1]=4 242 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [0,0,0,0,0,0|2,0,1]=3 243 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [0,0,0,0,0,0|2,0,1]=3 244 B11R0.148 C=CCCCSCCCN(C)C 62a_100011713584_100000757444 [0,0,0,0,0,0|4,0,0]=4 245 B11R0.148 C=CCCCSCCNC(=O)C 62a_100000189650_100000757094 [0,0,0,0,0,0|3,0,0]=3 246 B11R0.148 C=CCCCSCCNC(=O)C 62a_100011713584_100000189650 [0,0,0,0,0,0|3,0,0]=3 247 B11R0.148 C=CCCCSCCNC(=O)N 62a_100011713584_200000034859 [0,0,0,0,0,0|3,0,0]=3 248 B11R0.148 C=CCCCSCCNC(=O)N 62a_200000034859_100000757094 [0,0,0,0,0,0|3,0,0]=3 249 B11R0.148 C=CCCCSCCOC(=O)C 62a_100009814007_100000757094 [0,0,0,0,0,0|3,0,0]=3 250 B11R0.148 C=CCCCSCCOC(=O)C 62a_100011713584_100009814007 [0,0,0,0,0,0|3,0,0]=3 251 B11R0.148 C=CCCCSCCOC(=O)N 62a_100011713584_200011214921 [0,0,0,0,0,0|3,0,0]=3 252 B11R0.148 C=CCCCSCCOC(=O)N 62a_200011214921_100000757094 [0,0,0,0,0,0|3,0,0]=3 253 B11R0.148 C=CCCNCCCCB(O)O 2230a_100015191253_200009817182 [0,0,0,0,0,0|2,0,1]=3 254 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [0,0,0,0,0,0|2,0,0]=2 255 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [0,0,0,0,0,0|3,0,1]=4 256 B11R0.148 C=CCCNCCCNC(=O)C 34a_100000736810_100000754431 [0,0,0,0,0,0|3,0,0]=3 257 B11R0.148 C=CCCNCCCOC(=S)C 2230a_100015191253_200135323944 [0,0,0,0,0,0|3,1,0]=4 258 B11R0.148 C=CCCNCCCSC(=O)C 2230a_100015191253_100000038929 [0,0,0,0,0,0|3,0,0]=3 259 B11R0.148 C=CCCNCCOCC(=O)N 2230a_100015191253_100000076697 [0,0,0,0,0,0|3,0,0]=3 260 B11R0.148 C=CCCNCCOCC(=O)O 269956a_100000700818_100000754431 [0,0,0,0,0,0|2,0,0]=2 261 B11R0.148 C=CCCOCCCCB(O)O 34a_100011205117_200009817182 [0,0,0,0,0,0|2,0,1]=3 262 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [0,0,0,0,0,0|2,0,0]=2 263 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [0,0,0,0,0,0|2,0,0]=2 264 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [0,0,0,0,0,0|2,0,0]=2 265 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [0,0,0,0,0,0|3,0,1]=4 266 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [0,0,0,0,0,0|3,0,1]=4 267 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [0,0,0,0,0,0|3,0,1]=4 268 B11R0.148 C=CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000754431 [0,0,0,0,0,0|2,0,1]=3 269 B11R0.148 C=CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000754431 [0,0,0,0,0,0|2,0,1]=3 270 B11R0.148 C=CCCOCCCNC(=O)C 34a_100000752032_100000754431 [0,0,0,0,0,0|3,0,0]=3 271 B11R0.148 C=CCCOCCCOC(=O)C 34a_100011205117_100000042594 [0,0,0,0,0,0|3,0,0]=3 272 B11R0.148 C=CCCOCCCOC(=S)C 34a_100011205117_200135323944 [0,0,0,0,0,0|3,1,0]=4 273 B11R0.148 C=CCCOCCCSC(=O)C 34a_100011205117_100000038929 [0,0,0,0,0,0|3,0,0]=3 274 B11R0.148 C=CCCOCCOCC(=O)N 34a_100011205117_100000076697 [0,0,0,0,0,0|3,0,0]=3 275 B11R0.148 C=CCCSCCCCB(O)O 62a_100000754431_200009817182 [0,0,0,0,0,0|2,0,1]=3 276 B11R0.148 C=CCCSCCCCB(O)O 62a_200009817182_100000754431 [0,0,0,0,0,0|2,0,1]=3 277 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [0,0,0,0,0,0|2,0,0]=2 278 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [0,0,0,0,0,0|2,0,0]=2 279 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [0,0,0,0,0,0|3,0,1]=4 280 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [0,0,0,0,0,0|3,0,1]=4 281 B11R0.148 C=CCCSCCCCN(C)C 62a_100000754431_100000690147 [0,0,0,0,0,0|4,0,0]=4 282 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000042594_100000754431 [0,0,0,0,0,0|3,0,0]=3 283 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000754431_100000042594 [0,0,0,0,0,0|3,0,0]=3 284 B11R0.148 C=CCCSCCCOC(=S)C 62a_100000754431_200135323944 [0,0,0,0,0,0|3,1,0]=4 285 B11R0.148 C=CCCSCCCOC(=S)C 62a_200135323944_100000754431 [0,0,0,0,0,0|3,1,0]=4 286 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000038929_100000754431 [0,0,0,0,0,0|3,0,0]=3 287 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000754431_100000038929 [0,0,0,0,0,0|3,0,0]=3 288 B11R0.148 C=CCCSCCOCC(=O)N 62a_100000076697_100000754431 [0,0,0,0,0,0|3,0,0]=3 289 B11R0.148 C=CCCSCCOCC(=O)N 62a_100000754431_100000076697 [0,0,0,0,0,0|3,0,0]=3 290 B11R0.148 C=CCNCCCCCB(O)O 2230a_100020586998_200009817188 [0,0,0,0,0,0|2,0,1]=3 291 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [0,0,0,0,0,0|2,0,0]=2 292 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [0,0,0,0,0,0|3,0,1]=4 293 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [0,0,0,0,0,0|3,0,1]=4 294 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [0,0,0,0,0,0|3,0,1]=4 295 B11R0.148 C=CCNCCCCNC(=O)C 2230a_200011368371_100000210623 [0,0,0,0,0,0|3,0,0]=3 296 B11R0.148 C=CCNCCCCNC(=O)C 34a_200011368371_100015514636 [0,0,0,0,0,0|3,0,0]=3 297 B11R0.148 C=CCNCCCCSC(=O)C 2230a_100020586998_200010402107 [0,0,0,0,0,0|3,0,0]=3 298 B11R0.148 C=CCOCCCCCB(O)O 34a_200000210373_200009817188 [0,0,0,0,0,0|2,0,1]=3 299 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [0,0,0,0,0,0|2,0,0]=2 300 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [0,0,0,0,0,0|2,0,0]=2 301 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [0,0,0,0,0,0|2,0,0]=2 302 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [0,0,0,0,0,0|1,0,1]=2 303 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [0,0,0,0,0,0|3,0,1]=4 304 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [0,0,0,0,0,0|3,0,1]=4 305 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [0,0,0,0,0,0|3,0,1]=4 306 B11R0.148 C=CCOCCCCOC(=O)C 34a_100000073216_100015514636 [0,0,0,0,0,0|3,0,0]=3 307 B11R0.148 C=CCOCCCCOC(=O)C 34a_200000210373_100000033659 [0,0,0,0,0,0|3,0,0]=3 308 B11R0.148 C=CCOCCCCOC(=O)C 7a_100000073216_100015514636 [0,0,0,0,0,0|3,0,0]=3 309 B11R0.148 C=CCOCCCCO[N+](=O)[O-] 34a_200000210373_100015694321 [0,0,0,0,0,0|3,0,1]=4 310 B11R0.148 C=CCOCCCCSC(=O)C 34a_200000210373_200010402107 [0,0,0,0,0,0|3,0,0]=3 311 B11R0.148 C=CCOCCOCCC(=C)C 34a_100000037705_100000730704 [0,0,0,0,0,0|4,0,0]=4 312 B11R0.148 C=CCOCCOCCC(=C)C 7a_100000037705_100000730704 [0,0,0,0,0,0|4,0,0]=4 313 B11R0.148 C=CCOCCOCCC(=O)C 7a_100000037705_100000053229 [0,0,0,0,0,0|3,0,0]=3 314 B11R0.148 C=CCOCCOCCC(=O)N 34a_100000037705_100000731001 [0,0,0,0,0,0|3,0,0]=3 315 B11R0.148 C=CCOCCOCCC(=O)N 7a_100000037705_100000744528 [0,0,0,0,0,0|3,0,0]=3 316 B11R0.148 C=CCOCCOCCC(C)O 34a_100000037705_100012276601 [0,0,0,0,0,0|3,0,1]=4 317 B11R0.148 C=CCOCCOCCC(C)O 7a_100000037705_100012276601 [0,0,0,0,0,0|3,0,1]=4 318 B11R0.148 C=CCOCCOCOC(=O)C 34a_100000037705_100009813279 [0,0,0,0,0,0|4,0,0]=4 319 B11R0.148 C=CCOCOCCOC(=O)C 34a_200000210373_100000076355 [0,0,0,0,0,0|4,0,0]=4 320 B11R0.148 C=CCSCCCCCB(O)O 62a_100000210623_200009817188 [0,0,0,0,0,0|2,0,1]=3 321 B11R0.148 C=CCSCCCCCB(O)O 62a_200009817188_100000210623 [0,0,0,0,0,0|2,0,1]=3 322 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [0,0,0,0,0,0|2,0,0]=2 323 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [0,0,0,0,0,0|2,0,0]=2 324 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [0,0,0,0,0,0|3,0,1]=4 325 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [0,0,0,0,0,0|3,0,1]=4 326 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000033659_100000210623 [0,0,0,0,0,0|3,0,0]=3 327 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000210623_100000033659 [0,0,0,0,0,0|3,0,0]=3 328 B11R0.148 C=CCSCCCCO[N+](=O)[O-] 62a_100000210623_100015694321 [0,0,0,0,0,0|3,0,1]=4 329 B11R0.148 C=CCSCCCCSC(=O)C 62a_100000210623_200010402107 [0,0,0,0,0,0|3,0,0]=3 330 B11R0.148 C=CCSCCCCSC(=O)C 62a_200010402107_100000210623 [0,0,0,0,0,0|3,0,0]=3 331 B11R0.148 C=CCSCOCCOC(=O)C 62a_100000076355_100000210623 [0,0,0,0,0,0|4,0,0]=4 332 B11R0.148 C=CCSCOCCOC(=O)C 62a_100000210623_100000076355 [0,0,0,0,0,0|4,0,0]=4 333 B11R0.148 C=COCCCCOCC(=C)C 34a_100000031558_100000748629 [0,0,0,0,0,0|4,0,0]=4 334 B11R0.148 C=COCCCCOCC(=C)C 7a_100000031558_100000748629 [0,0,0,0,0,0|4,0,0]=4 335 B11R0.148 C=COCCCCOCC(=C)F 34a_100000031558_100009893438 [0,0,0,0,0,0|4,0,0]=4 336 B11R0.148 C=COCCCCOCC(=C)F 7a_100000031558_100000042424 [0,0,0,0,0,0|4,0,0]=4 337 B11R0.148 C=COCCCCOCC(=O)N 34a_100000031558_100000187820 [0,0,0,0,0,0|3,0,0]=3 338 B11R0.148 C=COCCCCOCC(=O)N 7a_100000031558_100000187820 [0,0,0,0,0,0|3,0,0]=3 339 B11R0.148 C=COCCCCOCC(=O)[O-] 34a_100000031558_100020667443 [0,0,0,0,0,0|2,0,1]=3 340 B11R0.148 C=COCCCCOCC(C)O 34a_100000031558_100011218427 [0,0,0,0,0,0|3,0,1]=4 341 B11R0.148 C=COCCCCOCC(C)O 7a_100000031558_100011218427 [0,0,0,0,0,0|3,0,1]=4 342 B11R0.148 C=COCCCCOC[C@@H](C)O 34a_100000031558_100009817552 [0,0,0,0,0,0|3,0,1]=4 343 B11R0.148 C=COCCCCOC[C@@H](C)O 7a_100000031558_100009817552 [0,0,0,0,0,0|3,0,1]=4 344 B11R0.148 C=COCCCCOC[N+](=O)[O-] 34a_100000031558_100000761209 [0,0,0,0,0,0|3,0,1]=4 345 B11R0.148 C=COCCCNCCC(=C)C 2230a_100000210767_100000730704 [0,0,0,0,0,0|4,0,0]=4 346 B11R0.148 C=COCCCNCCC(=C)C 34a_100000210767_100000730704 [0,0,0,0,0,0|4,0,0]=4 347 B11R0.148 C=COCCCNCCC(=O)N 2230a_100000210767_100000744528 [0,0,0,0,0,0|3,0,0]=3 348 B11R0.148 C=COCCCNCCC(=O)N 34a_100000210767_100000731001 [0,0,0,0,0,0|3,0,0]=3 349 B11R0.148 C=COCCCNCCC(C)O 2230a_100000210767_100012276601 [0,0,0,0,0,0|3,0,1]=4 350 B11R0.148 C=COCCCNCCC(C)O 34a_100000210767_100012276601 [0,0,0,0,0,0|3,0,1]=4 351 B11R0.148 C=COCCCNCOC(=O)C 34a_100000210767_100009813279 [0,0,0,0,0,0|4,0,0]=4 352 B11R0.148 C=COCCNCCCC(=O)N 34a_100000739312_100000039644 [0,0,0,0,0,0|3,0,0]=3 353 B11R0.148 C=COCCNCCCS(=O)C 2230a_200000753449_100000039644 [0,0,0,0,0,0|4,0,0]=4 354 B11R0.148 C=COCCNCCNC(=O)C 2230a_100000209853_100000039644 [0,0,0,0,0,0|4,0,0]=4 355 B11R0.148 C=COCCNCCNC(=O)N 34a_100020590234_100000039644 [0,0,0,0,0,0|4,0,0]=4 356 B11R0.148 C=COCCOCCCC(=O)C 34a_100000033082_100000685027 [0,0,0,0,0,0|3,0,0]=3 357 B11R0.148 C=COCCOCCCC(=O)C 34a_100000759063_100000039644 [0,0,0,0,0,0|3,0,0]=3 358 B11R0.148 C=COCCOCCCC(=O)C 7a_100000759063_100000039644 [0,0,0,0,0,0|3,0,0]=3 359 B11R0.148 C=COCCOCCCC(=O)N 34a_100000033082_100102525003 [0,0,0,0,0,0|3,0,0]=3 360 B11R0.148 C=COCCOCCCC(C)O 34a_100000033082_200000718107 [0,0,0,0,0,0|3,0,1]=4 361 B11R0.148 C=COCCOCCC[N+](=O)[O-] 34a_200000037920_100000039644 [0,0,0,0,0,0|3,0,1]=4 362 B11R0.148 C=COCCOCCNC(=O)C 34a_100000158858_100000039644 [0,0,0,0,0,0|4,0,0]=4 363 B11R0.148 C=COCCOCCNC(=O)N 34a_100000181757_100000039644 [0,0,0,0,0,0|4,0,0]=4 364 B11R0.148 C=COCCOCCOC(=O)C 34a_100000033082_100009814007 [0,0,0,0,0,0|4,0,0]=4 365 B11R0.148 C=COCCOCCOC(=O)N 34a_100000033082_200011214921 [0,0,0,0,0,0|4,0,0]=4 366 B11R0.148 C=COCCOCCOC(=O)N 7a_100000766696_100000039644 [0,0,0,0,0,0|4,0,0]=4 367 B11R0.148 C=COCCSCCCC(=O)C 62a_100000039644_100011215641 [0,0,0,0,0,0|3,0,0]=3 368 B11R0.148 C=COCCSCCCC(=O)C 62a_100011215641_100000039644 [0,0,0,0,0,0|3,0,0]=3 369 B11R0.148 C=COCCSCCCC(=O)N 62a_100000039644_100102525003 [0,0,0,0,0,0|3,0,0]=3 370 B11R0.148 C=COCCSCCCC(=O)N 62a_100102525003_100000039644 [0,0,0,0,0,0|3,0,0]=3 371 B11R0.148 C=COCCSCCCC(C)O 62a_100000039644_200000718107 [0,0,0,0,0,0|3,0,1]=4 372 B11R0.148 C=COCCSCCCC(C)O 62a_200000718107_100000039644 [0,0,0,0,0,0|3,0,1]=4 373 B11R0.148 C=COCCSCCNC(=O)C 62a_100000039644_100000189650 [0,0,0,0,0,0|4,0,0]=4 374 B11R0.148 C=COCCSCCNC(=O)C 62a_100000189650_100000039644 [0,0,0,0,0,0|4,0,0]=4 375 B11R0.148 C=COCCSCCNC(=O)N 62a_100000039644_200000034859 [0,0,0,0,0,0|4,0,0]=4 376 B11R0.148 C=COCCSCCNC(=O)N 62a_200000034859_100000039644 [0,0,0,0,0,0|4,0,0]=4 377 B11R0.148 C=COCCSCCOC(=O)C 62a_100000039644_100009814007 [0,0,0,0,0,0|4,0,0]=4 378 B11R0.148 C=COCCSCCOC(=O)C 62a_100009814007_100000039644 [0,0,0,0,0,0|4,0,0]=4 379 B11R0.148 C=COCCSCCOC(=O)N 62a_100000039644_200011214921 [0,0,0,0,0,0|4,0,0]=4 380 B11R0.148 C=COCCSCCOC(=O)N 62a_200011214921_100000039644 [0,0,0,0,0,0|4,0,0]=4 381 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,0,0,0,0,0|2,0,1]=3 382 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,0,0,0,0,0|3,0,1]=4 383 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,0,0,0,0,0|3,0,1]=4 384 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,0,0,0,0,0|3,0,1]=4 385 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,0,0,0,0,0|3,0,1]=4 386 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,0,0,0,0,0|3,0,1]=4 387 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,0,0,0,0,0|4,0,0]=4 388 B11R0.148 CC(=O)CCCCSCCC#N 62a_100000735457_100011215226 [0,0,0,0,0,0|3,0,1]=4 389 B11R0.148 CC(=O)CCCCSCCC#N 62a_100011215226_100000735457 [0,0,0,0,0,0|3,0,1]=4 390 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,0,0,0,0,0|3,0,1]=4 391 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,0,0,0,0,0|3,0,1]=4 392 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,0,0,0,0,0|3,0,1]=4 393 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,0,0,0,0,0|3,0,1]=4 394 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,0,0,0,0,0|3,0,1]=4 395 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [0,0,0,0,0,0|3,0,1]=4 396 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,0,0,0,0,0|3,0,0]=3 397 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,0,0,0,0,0|3,0,1]=4 398 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,0,0,0,0,0|3,0,1]=4 399 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,0,0,0,0,0|3,0,1]=4 400 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,0,0,0,0,0|3,0,1]=4 401 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,0,0,0,0,0|3,0,1]=4 402 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,0,0,0,0,0|3,0,1]=4 403 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,0,0,0,0,0|3,0,1]=4 404 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,0,0,0,0,0|3,0,1]=4 405 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,0,0,0,0,0|3,0,1]=4 406 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,0,0,0,0,0|3,0,1]=4 407 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,0,0,0,0,0|3,0,1]=4 408 B11R0.148 CC(=O)CCCSCCCC#N 62a_100000687738_100011215641 [0,0,0,0,0,0|3,0,1]=4 409 B11R0.148 CC(=O)CCCSCCCC#N 62a_100011215641_100000687738 [0,0,0,0,0,0|3,0,1]=4 410 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [0,0,0,0,0,0|3,0,0]=3 411 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [0,0,0,0,0,0|3,0,0]=3 412 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,0,0,0,0,0|3,0,1]=4 413 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,0,0,0,0,0|3,0,1]=4 414 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,0,0,0,0,0|3,0,1]=4 415 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,0,0,0,0,0|3,0,1]=4 416 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [0,0,0,0,0,0|3,0,1]=4 417 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,0,0,0,0,0|3,0,0]=3 418 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,0,0,0,0,0|3,0,1]=4 419 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,0,0,0,0,0|3,0,1]=4 420 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,0,0,0,0,0|3,0,1]=4 421 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,0,0,0,0,0|3,0,1]=4 422 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,0,0,0,0,0|3,0,1]=4 423 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,0,0,0,0,0|3,0,1]=4 424 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,0,0,0,0,0|3,0,1]=4 425 B11R0.148 CC(=O)CCSCCCCC#N 62a_100000053229_100000211819 [0,0,0,0,0,0|3,0,1]=4 426 B11R0.148 CC(=O)CCSCCCCC#N 62a_100011219923_100000053229 [0,0,0,0,0,0|3,0,1]=4 427 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,0,0,0,0,0|3,0,0]=3 428 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,0,0,0,0,0|3,0,0]=3 429 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,0,0,0,0,0|3,0,1]=4 430 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,0,0,0,0,0|3,0,1]=4 431 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,0,0,0,0,0|3,0,1]=4 432 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,0,0,0,0,0|3,0,1]=4 433 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,0,0,0,0,0|3,0,1]=4 434 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,0,0,0,0,0|3,0,1]=4 435 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,0,0,0,0,0|3,0,1]=4 436 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,0,0,0,0,0|3,0,1]=4 437 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,0,0,0,0,0|3,0,1]=4 438 B11R0.148 CC(=O)NCCCCNCC=O 2230a_200011368371_200015260668 [0,0,0,0,0,0|4,0,0]=4 439 B11R0.148 CC(=O)NCCCCNCC=O 34a_200011368371_200009817547 [0,0,0,0,0,0|4,0,0]=4 440 B11R0.148 CC(=O)NCCNCCCC=O 2230a_100000209853_200011292268 [0,0,0,0,0,0|4,0,0]=4 441 B11R0.148 CC(=O)NCCSCCCC=O 62a_100000189650_200011292268 [0,0,0,0,0,0|4,0,0]=4 442 B11R0.148 CC(=O)NCCSCCCC=O 62a_200011292268_100000189650 [0,0,0,0,0,0|4,0,0]=4 443 B11R0.148 CC(=O)OCCCCOCC=O 34a_100000073216_200009817547 [0,0,0,0,0,0|4,0,0]=4 444 B11R0.148 CC(=O)OCCCCOCC=O 7a_100000073216_200015260668 [0,0,0,0,0,0|4,0,0]=4 445 B11R0.148 CC(=O)OCCCCSCC=O 62a_100000033659_200015260668 [0,0,0,0,0,0|4,0,0]=4 446 B11R0.148 CC(=O)OCCCCSCC=O 62a_200015260668_100000033659 [0,0,0,0,0,0|4,0,0]=4 447 B11R0.148 CC(=O)OCCSCCCC=O 62a_100009814007_200011292268 [0,0,0,0,0,0|4,0,0]=4 448 B11R0.148 CC(=O)OCCSCCCC=O 62a_200011292268_100009814007 [0,0,0,0,0,0|4,0,0]=4 449 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000076356_100000139335 [0,0,0,0,0,0|4,0,0]=4 450 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000139335_100000076356 [0,0,0,0,0,0|4,0,0]=4 451 B11R0.148 CC(=O)SCCCCSCC=O 62a_200010402107_200015260668 [0,0,0,0,0,0|4,0,0]=4 452 B11R0.148 CC(=O)SCCCCSCC=O 62a_200015260668_200010402107 [0,0,0,0,0,0|4,0,0]=4 453 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [0,0,0,0,0,0|3,0,1]=4 454 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [0,0,0,0,0,0|3,0,1]=4 455 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [0,0,0,0,0,0|3,0,1]=4 456 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [0,0,0,0,0,0|3,0,1]=4 457 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [0,0,0,0,0,0|3,0,1]=4 458 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [0,0,0,0,0,0|3,0,1]=4 459 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [0,0,0,0,0,0|3,0,1]=4 460 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [0,0,0,0,0,0|3,0,1]=4 461 B11R0.148 CC=CCCCOCCC(=O)N 34a_100020645299_100000731001 [0,0,0,0,0,0|2,0,2]=4 462 B11R0.148 CC=CCNCCCCC(=O)N 34a_100000696515_100000070051 [0,0,0,0,0,0|2,0,2]=4 463 B11R0.148 CC=CCOCCCCC(=O)N 34a_100012022536_100000070051 [0,0,0,0,0,0|2,0,2]=4 464 B11R0.148 CC=CCOCCCCC(=O)N 7a_100012022536_100000070051 [0,0,0,0,0,0|2,0,2]=4 465 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [0,0,0,0,0,0|2,0,2]=4 466 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [0,0,0,0,0,0|2,0,2]=4 467 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,0,0,0,0,0|1,0,2]=3 468 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,0,0,0,0,0|1,0,2]=3 469 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,0,0,0,0,0|1,0,2]=3 470 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,0,0,0,0,0|2,0,2]=4 471 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,0,0,0,0,0|2,0,2]=4 472 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,0,0,0,0,0|2,0,2]=4 473 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,0,0,0,0,0|2,0,2]=4 474 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,0,0,0,0,0|2,0,2]=4 475 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,0,0,0,0,0|2,0,2]=4 476 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,0,0,0,0,0|1,0,2]=3 477 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,0,0,0,0,0|2,0,2]=4 478 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,0,0,0,0,0|2,0,2]=4 479 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,0,0,0,0,0|2,0,2]=4 480 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,0,0,0,0,0|1,0,3]=4 481 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,0,0,0,0,0|2,0,2]=4 482 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,0,0,0,0,0|2,0,2]=4 483 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,0,0,0,0,0|1,0,3]=4 484 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,0,0,0,0,0|1,0,3]=4 485 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,0,0,0,0,0|2,0,2]=4 486 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,0,0,0,0,0|2,0,2]=4 487 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,0,0,0,0,0|2,0,2]=4 488 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,0,0,0,0,0|2,0,2]=4 489 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,0,0,0,0,0|2,0,2]=4 490 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,0,0,0,0,0|2,0,2]=4 491 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,0,0,0,0,0|2,0,2]=4 492 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,0,0,0,0,0|2,0,2]=4 493 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,0,0,0,0,0|2,0,2]=4 494 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,0,0,0,0,0|2,0,2]=4 495 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,0,0,0,0,0|2,0,2]=4 496 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,0,0,0,0,0|2,0,2]=4 497 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,0,0,0,0,0|2,0,2]=4 498 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,0,0,0,0,0|2,0,2]=4 499 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,0,0,0,0,0|2,0,2]=4 500 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,0,0,0,0,0|2,0,2]=4 501 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,0,0,0,0,0|2,0,2]=4 502 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,0,0,0,0,0|2,0,2]=4 503 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,0,0,0,0,0|2,0,2]=4 504 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,0,0,0,0,0|2,0,2]=4 505 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,0,0,0,0,0|2,0,2]=4 506 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,0,0,0,0,0|2,0,2]=4 507 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,0,0,0,0,0|2,0,2]=4 508 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,0,0,0,0,0|2,0,2]=4 509 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,0,0,0,0,0|2,0,2]=4 510 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,0,0,0,0,0|2,0,2]=4 511 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,0,0,0,0,0|2,0,2]=4 512 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,0,0,0,0,0|2,0,2]=4 513 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,0,0,0,0,0|2,0,2]=4 514 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,0,0,0,0,0|2,0,2]=4 515 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,0,0,0,0,0|2,0,2]=4 516 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,0,0,0,0,0|2,0,2]=4 517 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,0,0,0,0,0|2,0,2]=4 518 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,0,0,0,0,0|2,0,2]=4 519 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,0,0,0,0,0|2,0,2]=4 520 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,0,0,0,0,0|2,0,2]=4 521 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,0,0,0,0,0|2,0,2]=4 522 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,0,0,0,0,0|1,0,3]=4 523 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,0,0,0,0,0|2,0,2]=4 524 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,0,0,0,0,0|2,0,2]=4 525 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,0,0,0,0,0|3,0,1]=4 526 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,0,0,0,0,0|3,0,1]=4 527 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,0,0,0,0,0|3,0,1]=4 528 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,0,0,0,0,0|2,0,2]=4 529 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,0,0,0,0,0|3,0,1]=4 530 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,0,0,0,0,0|3,0,1]=4 531 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,0,0,0,0,0|3,0,1]=4 532 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,0,0,0,0,0|3,0,1]=4 533 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,0,0,0,0,0|3,0,1]=4 534 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,0,0,0,0,0|2,0,2]=4 535 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,0,0,0,0,0|3,0,1]=4 536 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,0,0,0,0,0|3,0,1]=4 537 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,0,0,0,0,0|3,0,1]=4 538 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,0,0,0,0,0|3,0,1]=4 539 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,0,0,0,0,0|3,0,1]=4 540 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,0,0,0,0,0|3,0,1]=4 541 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,0,0,0,0,0|3,0,1]=4 542 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,0,0,0,0,0|3,0,1]=4 543 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,0,0,0,0,0|3,0,1]=4 544 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,0,0,0,0,0|3,0,1]=4 545 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,0,0,0,0,0|3,0,1]=4 546 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,0,0,0,0,0|3,0,1]=4 547 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,0,0,0,0,0|3,0,1]=4 548 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,0,0,0,0,0|3,0,1]=4 549 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,0,0,0,0,0|3,0,1]=4 550 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,0,0,0,0,0|3,0,1]=4 551 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,0,0,0,0,0|3,0,1]=4 552 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,0,0,0,0,0|3,0,1]=4 553 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,0,0,0,0,0|3,0,1]=4 554 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,0,0,0,0,0|3,0,1]=4 555 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,0,0,0,0,0|3,0,1]=4 556 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,0,0,0,0,0|3,0,1]=4 557 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,0,0,0,0,0|3,0,1]=4 558 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,0,0,0,0,0|3,0,1]=4 559 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,0,0,0,0,0|3,0,1]=4 560 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,0,0,0,0,0|3,0,1]=4 561 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,0,0,0,0,0|3,0,1]=4 562 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,0,0,0,0,0|3,0,1]=4 563 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,0,0,0,0,0|3,0,1]=4 564 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,0,0,0,0,0|3,0,1]=4 565 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,0,0,0,0,0|3,0,1]=4 566 B11R0.148 CS(=O)CCCNCCCC=O 2230a_200000753449_200011292268 [0,0,0,0,0,0|4,0,0]=4 567 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,0,0,0,0,0|3,0,1]=4 568 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,0,0,0,0,0|3,0,1]=4 569 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,0,0,0,0,0|3,0,1]=4 570 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,0,0,0,0,0|3,0,1]=4 571 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,0,0,0,0,0|3,0,1]=4 572 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,0,0,0,0,0|3,0,1]=4 573 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,0,0,0,0,0|3,0,1]=4 574 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,0,0,0,0,0|3,0,1]=4 575 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,0,0,0,0,0|3,0,1]=4 576 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,0,0,0,0,0|3,0,1]=4 577 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,0,0,0,0,0|3,0,1]=4 578 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,0,0,0,0,0|3,0,1]=4 579 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,0,0,0,0,0|3,0,1]=4 580 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,0,0,0,0,0|3,0,1]=4 581 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,0,0,0,0,0|3,0,1]=4 582 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,0,0,0,0,0|3,0,1]=4 583 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,0,0,0,0,0|3,0,1]=4 584 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,0,0,0,0,0|3,0,1]=4 585 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [0,0,0,0,0,0|3,0,1]=4 586 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [0,0,0,0,0,0|3,0,1]=4 587 B11R0.148 N#CCCCCCNCC(=O)N 2230a_100000711301_100009813376 [0,0,0,0,0,0|3,0,1]=4 588 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,0,0,0,0,0|2,0,1]=3 589 B11R0.148 N#CCCCCCSCC(=O)N 62a_100000747473_100009813376 [0,0,0,0,0,0|3,0,1]=4 590 B11R0.148 N#CCCCCCSCC(=O)N 62a_100009813376_100000747473 [0,0,0,0,0,0|3,0,1]=4 591 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100009813376_100020667443 [0,0,0,0,0,0|2,0,2]=4 592 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100020667443_100009813376 [0,0,0,0,0,0|2,0,2]=4 593 B11R0.148 N#CCCCCNOCC(=O)O 269956a_100000106656_100011219923 [0,0,0,0,0,0|3,0,1]=4 594 B11R0.148 N#CCCCCOCCC(=O)N 7a_100000757172_100000211819 [0,0,0,0,0,0|3,0,1]=4 595 B11R0.148 N#CCCCCSCCC(=O)N 62a_100000744528_100000211819 [0,0,0,0,0,0|3,0,1]=4 596 B11R0.148 N#CCCCCSCCC(=O)N 62a_100011219923_100000744528 [0,0,0,0,0,0|3,0,1]=4 597 B11R0.148 N#CCCCSCCCC(=O)N 62a_100000687738_100102525003 [0,0,0,0,0,0|3,0,1]=4 598 B11R0.148 N#CCCCSCCCC(=O)N 62a_100102525003_100000687738 [0,0,0,0,0,0|3,0,1]=4 599 B11R0.148 N#CCCNCCOCC(=O)O 269956a_100000700818_100011215226 [0,0,0,0,0,0|3,0,1]=4 600 B11R0.148 N#CCCOCCCCC(=O)N 7a_100012022536_100000184422 [0,0,0,0,0,0|3,0,1]=4 601 B11R0.148 N#CCOCCCCCC(=O)N 7a_100000123541_100011215382 [0,0,0,0,0,0|3,0,1]=4 602 B11R0.148 N#CCOCCCCCC(=O)[O-] 7a_100102619762_100011215382 [0,0,0,0,0,0|2,0,2]=4 603 B11R0.148 N#CCSCCCCCC(=O)N 62a_100009817443_100011215382 [0,0,0,0,0,0|3,0,1]=4 604 B11R0.148 N#CCSCCCCCC(=O)N 62a_100011215382_100009817443 [0,0,0,0,0,0|3,0,1]=4 605 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,0,0,0,0,0|3,0,1]=4 606 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,0,0,0,0,0|3,0,1]=4 607 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,0,0,0,0,0|3,0,1]=4 608 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [0,0,0,0,0,0|3,0,0]=3 609 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [0,0,0,0,0,0|3,0,0]=3 610 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,0,0,0,0,0|3,0,1]=4 611 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,0,0,0,0,0|3,0,1]=4 612 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,0,0,0,0,0|3,0,1]=4 613 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,0,0,0,0,0|3,0,1]=4 614 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,0,0,0,0,0|3,0,1]=4 615 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [0,0,0,0,0,0|3,0,0]=3 616 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [0,0,0,0,0,0|3,0,0]=3 617 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,0,0,0,0,0|3,0,1]=4 618 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,0,0,0,0,0|3,0,1]=4 619 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,0,0,0,0,0|3,0,1]=4 620 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,0,0,0,0,0|3,0,1]=4 621 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,0,0,0,0,0|3,0,1]=4 622 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,0,0,0,0,0|3,0,1]=4 623 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,0,0,0,0,0|3,0,1]=4 624 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,0,0,0,0,0|3,0,1]=4 625 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,0,0,0,0,0|3,0,1]=4 626 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,0,0,0,0,0|3,0,1]=4 627 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,0,0,0,0,0|3,0,1]=4 628 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,0,0,0,0,0|3,0,1]=4 629 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,0,0,0,0,0|3,0,1]=4 630 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,0,0,0,0,0|3,0,1]=4 631 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,0,0,0,0,0|3,0,1]=4 632 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,0,0,0,0,0|3,0,1]=4 633 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,0,0,0,0,0|3,0,1]=4 634 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,0,0,0,0,0|3,0,1]=4 635 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,0,0,0,0,0|3,0,1]=4 636 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [0,0,0,0,0,0|3,0,0]=3 637 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [0,0,0,0,0,0|3,0,0]=3 638 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,0,0,0,0,0|3,0,1]=4 639 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,0,0,0,0,0|3,0,1]=4 640 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,0,0,0,0,0|3,0,1]=4 641 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,0,0,0,0,0|3,0,1]=4 642 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,0,0,0,0,0|3,0,1]=4 643 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,0,0,0,0,0|3,0,1]=4 644 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [0,0,0,0,0,0|3,0,0]=3 645 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,0,0,0,0,0|3,0,1]=4 646 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,0,0,0,0,0|3,0,1]=4 647 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,0,0,0,0,0|3,0,1]=4 648 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,0,0,0,0,0|3,0,1]=4 649 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,0,0,0,0,0|3,0,1]=4 650 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,0,0,0,0,0|3,0,1]=4 651 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,0,0,0,0,0|3,0,1]=4 652 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,0,0,0,0,0|3,0,1]=4 653 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,0,0,0,0,0|3,0,1]=4 654 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,0,0,0,0,0|3,0,1]=4 655 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [0,0,0,0,0,0|3,0,0]=3 656 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [0,0,0,0,0,0|3,0,0]=3 657 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,0,0,0,0,0|3,0,1]=4 658 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,0,0,0,0,0|3,0,1]=4 659 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,0,0,0,0,0|3,0,1]=4 660 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,0,0,0,0,0|3,0,1]=4 661 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [0,0,0,0,0,0|3,0,0]=3 662 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,0,0,0,0,0|3,0,1]=4 663 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,0,0,0,0,0|3,0,1]=4 664 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,0,0,0,0,0|3,0,1]=4 665 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,0,0,0,0,0|3,0,1]=4 666 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,0,0,0,0,0|3,0,1]=4 667 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,0,0,0,0,0|3,0,1]=4 668 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,0,0,0,0,0|3,0,1]=4 669 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,0,0,0,0,0|3,0,1]=4 670 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,0,0,0,0,0|3,0,1]=4 671 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,0,0,0,0,0|3,0,1]=4 672 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [0,0,0,0,0,0|3,0,0]=3 673 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [0,0,0,0,0,0|3,0,0]=3 674 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,0,0,0,0,0|3,0,1]=4 675 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,0,0,0,0,0|3,0,1]=4 676 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,0,0,0,0,0|3,0,1]=4 677 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,0,0,0,0,0|3,0,1]=4 678 B11R0.148 NC(=O)NCCSCCCC=O 62a_200000034859_200011292268 [0,0,0,0,0,0|4,0,0]=4 679 B11R0.148 NC(=O)NCCSCCCC=O 62a_200011292268_200000034859 [0,0,0,0,0,0|4,0,0]=4 680 B11R0.148 NC(=O)OCCOCCCC=O 7a_100000766696_200011292268 [0,0,0,0,0,0|4,0,0]=4 681 B11R0.148 NC(=O)OCCSCCCC=O 62a_200011214921_200011292268 [0,0,0,0,0,0|4,0,0]=4 682 B11R0.148 NC(=O)OCCSCCCC=O 62a_200011292268_200011214921 [0,0,0,0,0,0|4,0,0]=4 683 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,0,0,0,0,0|3,0,1]=4 684 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,0,0,0,0,0|2,0,2]=4 685 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,0,0,0,0,0|3,0,1]=4 686 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,0,0,0,0,0|3,0,1]=4 687 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,0,0,0,0,0|3,0,1]=4 688 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,0,0,0,0,0|2,0,1]=3 689 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,0,0,0,0,0|2,0,1]=3 690 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,0,0,0,0,0|3,0,1]=4 691 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,0,0,0,0,0|3,0,1]=4 692 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,0,0,0,0,0|3,0,1]=4 693 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,0,0,0,0,0|3,0,1]=4 694 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,0,0,0,0,0|2,0,2]=4 695 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,0,0,0,0,0|2,0,2]=4 696 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,0,0,0,0,0|2,0,2]=4 697 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,0,0,0,0,0|2,0,2]=4 698 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,0,0,0,0,0|2,0,2]=4 699 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,0,0,0,0,0|2,0,2]=4 700 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,0,0,0,0,0|2,0,2]=4 701 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,0,0,0,0,0|2,0,2]=4 702 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,0,0,0,0,0|2,0,2]=4 703 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,0,0,0,0,0|2,0,2]=4 704 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,0,0,0,0,0|2,0,0]=2 705 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [0,0,0,0,0,0|2,0,1]=3 706 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [0,0,0,0,0,0|2,0,1]=3 707 B11R0.148 O=CCCCCCSC[N+](=O)[O-] 62a_100000139337_100000761209 [0,0,0,0,0,0|3,0,1]=4 708 B11R0.148 O=CCCCCNOCC(=O)O 269956a_100000106656_100000139335 [0,0,0,0,0,0|3,0,0]=3 709 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [0,0,0,0,0,0|2,0,1]=3 710 B11R0.148 O=CCSCCCCCB(O)O 62a_200009817188_200015260668 [0,0,0,0,0,0|3,0,1]=4 711 B11R0.148 O=CCSCCCCCB(O)O 62a_200015260668_200009817188 [0,0,0,0,0,0|3,0,1]=4 712 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,0,0,0,0,0|3,0,1]=4 713 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [1,0,0,0,0,0|1,0,2]=4 714 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [1,0,0,0,0,0|1,0,2]=4 715 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [1,0,0,0,0,0|1,0,2]=4 716 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [1,0,0,0,0,0|1,0,2]=4 717 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,0,0,0,0,0|1,0,0]=2 718 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,0,0,0,0,0|1,0,0]=2 719 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,0,0,0,0,0|1,0,0]=2 720 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [1,0,0,0,0,0|3,0,0]=4 721 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [1,0,0,0,0,0|3,0,0]=4 722 B10R0.4 C=CCCCCNCC(=C)C 2230a_100000703577_100000748629 [1,0,0,0,0,0|3,0,0]=4 723 B10R0.4 C=CCCCCNCC(=C)C 34a_100000703577_100000748629 [1,0,0,0,0,0|3,0,0]=4 724 B10R0.4 C=CCCCCNCC(=C)F 2230a_100000703577_100009893438 [1,0,0,0,0,0|3,0,0]=4 725 B10R0.4 C=CCCCCNCC(=C)F 34a_100000703577_100009893438 [1,0,0,0,0,0|3,0,0]=4 726 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [1,0,0,0,0,0|2,0,0]=3 727 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [1,0,0,0,0,0|2,0,0]=3 728 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [1,0,0,0,0,0|2,0,0]=3 729 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [1,0,0,0,0,0|1,0,0]=2 730 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [1,0,0,0,0,0|1,0,1]=3 731 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [1,0,0,0,0,0|2,0,1]=4 732 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [1,0,0,0,0,0|2,0,1]=4 733 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [1,0,0,0,0,0|2,0,1]=4 734 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [1,0,0,0,0,0|2,0,1]=4 735 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [1,0,0,0,0,0|2,0,1]=4 736 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [1,0,0,0,0,0|2,0,1]=4 737 B10R0.4 C=CCCCCNC[N+](=O)[O-] 34a_100000703577_100000761209 [1,0,0,0,0,0|2,0,1]=4 738 B10R0.4 C=CCCCCOCC(=C)C 34a_100000210245_100011215482 [1,0,0,0,0,0|3,0,0]=4 739 B10R0.4 C=CCCCCOCC(=C)C 34a_100000766645_100000748629 [1,0,0,0,0,0|3,0,0]=4 740 B10R0.4 C=CCCCCOCC(=C)C 7a_100000766645_100000748629 [1,0,0,0,0,0|3,0,0]=4 741 B10R0.4 C=CCCCCOCC(=C)F 34a_100000766645_100009893438 [1,0,0,0,0,0|3,0,0]=4 742 B10R0.4 C=CCCCCOCC(=C)F 34a_200010262243_100011215482 [1,0,0,0,0,0|3,0,0]=4 743 B10R0.4 C=CCCCCOCC(=C)F 7a_100000766645_100000042424 [1,0,0,0,0,0|3,0,0]=4 744 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [1,0,0,0,0,0|2,0,0]=3 745 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [1,0,0,0,0,0|2,0,0]=3 746 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [1,0,0,0,0,0|2,0,0]=3 747 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [1,0,0,0,0,0|1,0,1]=3 748 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [1,0,0,0,0,0|2,0,1]=4 749 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [1,0,0,0,0,0|2,0,1]=4 750 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [1,0,0,0,0,0|2,0,1]=4 751 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [1,0,0,0,0,0|2,0,1]=4 752 B10R0.4 C=CCCCCOC[N+](=O)[O-] 34a_100000766645_100000761209 [1,0,0,0,0,0|2,0,1]=4 753 B10R0.4 C=CCCCCSCC(=C)C 62a_100000748629_100011215482 [1,0,0,0,0,0|3,0,0]=4 754 B10R0.4 C=CCCCCSCC(=C)C 62a_100011215482_100000211660 [1,0,0,0,0,0|3,0,0]=4 755 B10R0.4 C=CCCCCSCC(=C)F 62a_100000042424_100011215482 [1,0,0,0,0,0|3,0,0]=4 756 B10R0.4 C=CCCCCSCC(=C)F 62a_100011215482_100000042424 [1,0,0,0,0,0|3,0,0]=4 757 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [1,0,0,0,0,0|2,0,0]=3 758 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [1,0,0,0,0,0|2,0,0]=3 759 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [1,0,0,0,0,0|1,0,1]=3 760 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [1,0,0,0,0,0|1,0,1]=3 761 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [1,0,0,0,0,0|2,0,1]=4 762 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [1,0,0,0,0,0|2,0,1]=4 763 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [1,0,0,0,0,0|2,0,1]=4 764 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [1,0,0,0,0,0|2,0,1]=4 765 B10R0.4 C=CCCCCSC[N+](=O)[O-] 62a_100011215482_100000761209 [1,0,0,0,0,0|2,0,1]=4 766 B10R0.4 C=CCCCNCCC(=C)C 2230a_100000700776_100000730704 [1,0,0,0,0,0|3,0,0]=4 767 B10R0.4 C=CCCCNCCC(=C)C 34a_100000700776_100000730704 [1,0,0,0,0,0|3,0,0]=4 768 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [1,0,0,0,0,0|2,0,0]=3 769 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [1,0,0,0,0,0|2,0,0]=3 770 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [1,0,0,0,0,0|2,0,1]=4 771 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [1,0,0,0,0,0|2,0,1]=4 772 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [1,0,0,0,0,0|2,0,1]=4 773 B10R0.4 C=CCCCNCOC(=O)C 34a_100000700776_100009813279 [1,0,0,0,0,0|3,0,0]=4 774 B10R0.4 C=CCCCNOCC(=O)O 269956a_100000106656_100011713584 [1,0,0,0,0,0|2,0,0]=3 775 B10R0.4 C=CCCCOCCC(=C)Br 34a_100009813270_100000757094 [1,0,0,0,0,0|3,0,0]=4 776 B10R0.4 C=CCCCOCCC(=C)C 34a_100000758997_100000730704 [1,0,0,0,0,0|3,0,0]=4 777 B10R0.4 C=CCCCOCCC(=C)C 34a_100000764851_100000757094 [1,0,0,0,0,0|3,0,0]=4 778 B10R0.4 C=CCCCOCCC(=C)C 7a_100000758997_100000730704 [1,0,0,0,0,0|3,0,0]=4 779 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [1,0,0,0,0,0|2,0,0]=3 780 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [1,0,0,0,0,0|2,0,0]=3 781 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [1,0,0,0,0,0|2,0,0]=3 782 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [1,0,0,0,0,0|2,0,0]=3 783 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [1,0,0,0,0,0|2,0,0]=3 784 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [1,0,0,0,0,0|2,0,0]=3 785 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [1,0,0,0,0,0|2,0,0]=3 786 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [1,0,0,0,0,0|2,0,1]=4 787 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [1,0,0,0,0,0|2,0,1]=4 788 B10R0.4 C=CCCCOCOC(=O)C 34a_100000758997_100009813279 [1,0,0,0,0,0|3,0,0]=4 789 B10R0.4 C=CCCCSCCC(=C)C 62a_100000730704_100000757094 [1,0,0,0,0,0|3,0,0]=4 790 B10R0.4 C=CCCCSCCC(=C)C 62a_100011713584_100000730704 [1,0,0,0,0,0|3,0,0]=4 791 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [1,0,0,0,0,0|2,0,0]=3 792 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [1,0,0,0,0,0|2,0,0]=3 793 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [1,0,0,0,0,0|2,0,0]=3 794 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [1,0,0,0,0,0|2,0,0]=3 795 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [1,0,0,0,0,0|2,0,1]=4 796 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [1,0,0,0,0,0|2,0,1]=4 797 B10R0.4 C=CCCCSCOC(=O)C 62a_100000076356_100000757094 [1,0,0,0,0,0|3,0,0]=4 798 B10R0.4 C=CCCCSCOC(=O)C 62a_100011713584_100000076356 [1,0,0,0,0,0|3,0,0]=4 799 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [1,0,0,0,0,0|2,0,0]=3 800 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [1,0,0,0,0,0|2,0,1]=4 801 B10R0.4 C=CCCNCCCS(=O)C 2230a_200000753449_100000754431 [1,0,0,0,0,0|3,0,0]=4 802 B10R0.4 C=CCCNCCNC(=O)C 2230a_100000209853_100000754431 [1,0,0,0,0,0|3,0,0]=4 803 B10R0.4 C=CCCNCCNC(=O)C 2230a_100015191253_100000189650 [1,0,0,0,0,0|3,0,0]=4 804 B10R0.4 C=CCCNCCNC(=O)N 2230a_100015191253_200000034859 [1,0,0,0,0,0|3,0,0]=4 805 B10R0.4 C=CCCNCCNC(=O)N 34a_100020590234_100000754431 [1,0,0,0,0,0|3,0,0]=4 806 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [1,0,0,0,0,0|2,0,0]=3 807 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [1,0,0,0,0,0|2,0,0]=3 808 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [1,0,0,0,0,0|2,0,0]=3 809 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [1,0,0,0,0,0|2,0,0]=3 810 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [1,0,0,0,0,0|2,0,1]=4 811 B10R0.4 C=CCCOCCC[N+](=O)[O-] 34a_200000037920_100000754431 [1,0,0,0,0,0|2,0,1]=4 812 B10R0.4 C=CCCOCCNC(=O)C 34a_100000158858_100000754431 [1,0,0,0,0,0|3,0,0]=4 813 B10R0.4 C=CCCOCCNC(=O)N 34a_100000181757_100000754431 [1,0,0,0,0,0|3,0,0]=4 814 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [1,0,0,0,0,0|3,0,0]=4 815 B10R0.4 C=CCCOCCOC(=O)N 34a_100011205117_200011214921 [1,0,0,0,0,0|3,0,0]=4 816 B10R0.4 C=CCCOCCOC(=O)N 7a_100000766696_100000754431 [1,0,0,0,0,0|3,0,0]=4 817 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [1,0,0,0,0,0|2,0,0]=3 818 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [1,0,0,0,0,0|2,0,0]=3 819 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [1,0,0,0,0,0|2,0,0]=3 820 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [1,0,0,0,0,0|2,0,0]=3 821 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [1,0,0,0,0,0|2,0,1]=4 822 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [1,0,0,0,0,0|2,0,1]=4 823 B10R0.4 C=CCCSCCNC(=O)C 62a_100000189650_100000754431 [1,0,0,0,0,0|3,0,0]=4 824 B10R0.4 C=CCCSCCNC(=O)C 62a_100000754431_100000189650 [1,0,0,0,0,0|3,0,0]=4 825 B10R0.4 C=CCCSCCNC(=O)N 62a_100000754431_200000034859 [1,0,0,0,0,0|3,0,0]=4 826 B10R0.4 C=CCCSCCNC(=O)N 62a_200000034859_100000754431 [1,0,0,0,0,0|3,0,0]=4 827 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [1,0,0,0,0,0|3,0,0]=4 828 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [1,0,0,0,0,0|3,0,0]=4 829 B10R0.4 C=CCCSCCOC(=O)N 62a_100000754431_200011214921 [1,0,0,0,0,0|3,0,0]=4 830 B10R0.4 C=CCCSCCOC(=O)N 62a_200011214921_100000754431 [1,0,0,0,0,0|3,0,0]=4 831 B10R0.4 C=CCNCCCCB(O)O 2230a_100020586998_200009817182 [1,0,0,0,0,0|2,0,1]=4 832 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [1,0,0,0,0,0|2,0,0]=3 833 B10R0.4 C=CCNCCCNC(=O)C 34a_100000736810_100015514636 [1,0,0,0,0,0|3,0,0]=4 834 B10R0.4 C=CCNCCCSC(=O)C 2230a_100020586998_100000038929 [1,0,0,0,0,0|3,0,0]=4 835 B10R0.4 C=CCNCCOCC(=O)N 2230a_100020586998_100000076697 [1,0,0,0,0,0|3,0,0]=4 836 B10R0.4 C=CCNCCOCC(=O)O 269956a_100000700818_100000210623 [1,0,0,0,0,0|2,0,0]=3 837 B10R0.4 C=CCOCCCCB(O)O 34a_200000210373_200009817182 [1,0,0,0,0,0|2,0,1]=4 838 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [1,0,0,0,0,0|2,0,0]=3 839 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [1,0,0,0,0,0|2,0,0]=3 840 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [1,0,0,0,0,0|2,0,0]=3 841 B10R0.4 C=CCOCCCC[N+](=O)[O-] 34a_200015379883_100015514636 [1,0,0,0,0,0|2,0,1]=4 842 B10R0.4 C=CCOCCCC[N+](=O)[O-] 7a_200015379883_100015514636 [1,0,0,0,0,0|2,0,1]=4 843 B10R0.4 C=CCOCCCNC(=O)C 34a_100000752032_100015514636 [1,0,0,0,0,0|3,0,0]=4 844 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [1,0,0,0,0,0|3,0,0]=4 845 B10R0.4 C=CCOCCCSC(=O)C 34a_200000210373_100000038929 [1,0,0,0,0,0|3,0,0]=4 846 B10R0.4 C=CCOCCOCC(=O)N 34a_100000037705_100000187820 [1,0,0,0,0,0|3,0,0]=4 847 B10R0.4 C=CCOCCOCC(=O)N 34a_200000210373_100000076697 [1,0,0,0,0,0|3,0,0]=4 848 B10R0.4 C=CCOCCOCC(=O)N 7a_100000037705_100000187820 [1,0,0,0,0,0|3,0,0]=4 849 B10R0.4 C=CCOCCOCC(=O)[O-] 34a_100000037705_100020667443 [1,0,0,0,0,0|2,0,1]=4 850 B10R0.4 C=CCSCCCCB(O)O 62a_100000210623_200009817182 [1,0,0,0,0,0|2,0,1]=4 851 B10R0.4 C=CCSCCCCB(O)O 62a_200009817182_100000210623 [1,0,0,0,0,0|2,0,1]=4 852 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [1,0,0,0,0,0|2,0,0]=3 853 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [1,0,0,0,0,0|2,0,0]=3 854 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [1,0,0,0,0,0|3,0,0]=4 855 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [1,0,0,0,0,0|3,0,0]=4 856 B10R0.4 C=CCSCCCSC(=O)C 62a_100000038929_100000210623 [1,0,0,0,0,0|3,0,0]=4 857 B10R0.4 C=CCSCCCSC(=O)C 62a_100000210623_100000038929 [1,0,0,0,0,0|3,0,0]=4 858 B10R0.4 C=CCSCCOCC(=O)N 62a_100000076697_100000210623 [1,0,0,0,0,0|3,0,0]=4 859 B10R0.4 C=CCSCCOCC(=O)N 62a_100000210623_100000076697 [1,0,0,0,0,0|3,0,0]=4 860 B10R0.4 C=COCCCNCC(=O)N 2230a_100000210767_100000747473 [1,0,0,0,0,0|3,0,0]=4 861 B10R0.4 C=COCCCNCC(=O)N 34a_100000210767_100000187820 [1,0,0,0,0,0|3,0,0]=4 862 B10R0.4 C=COCCCNCC(=O)[O-] 34a_100000210767_100020667443 [1,0,0,0,0,0|2,0,1]=4 863 B10R0.4 C=COCCNOCC(=O)O 269956a_100000106656_100000039644 [1,0,0,0,0,0|3,0,0]=4 864 B10R0.4 C=COCCOCCC(=O)C 34a_100000759926_100000039644 [1,0,0,0,0,0|3,0,0]=4 865 B10R0.4 C=COCCOCCC(=O)C 7a_100000759926_100000039644 [1,0,0,0,0,0|3,0,0]=4 866 B10R0.4 C=COCCOCCC(=O)N 34a_100000033082_100000731001 [1,0,0,0,0,0|3,0,0]=4 867 B10R0.4 C=COCCOCCC(=O)N 34a_100000757172_100000039644 [1,0,0,0,0,0|3,0,0]=4 868 B10R0.4 C=COCCOCCC(=O)N 7a_100000757172_100000039644 [1,0,0,0,0,0|3,0,0]=4 869 B10R0.4 C=COCCSCCC(=O)C 62a_100000039644_100000053229 [1,0,0,0,0,0|3,0,0]=4 870 B10R0.4 C=COCCSCCC(=O)C 62a_100000053229_100000039644 [1,0,0,0,0,0|3,0,0]=4 871 B10R0.4 C=COCCSCCC(=O)N 62a_100000039644_100000744528 [1,0,0,0,0,0|3,0,0]=4 872 B10R0.4 C=COCCSCCC(=O)N 62a_100000744528_100000039644 [1,0,0,0,0,0|3,0,0]=4 873 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [1,0,0,0,0,0|2,0,1]=4 874 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,0,0,0,0|2,0,0]=3 875 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,0,0,0,0|2,0,0]=3 876 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [1,0,0,0,0,0|3,0,0]=4 877 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,0,0,0,0,0|3,0,0]=4 878 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [1,0,0,0,0,0|3,0,0]=4 879 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [1,0,0,0,0,0|3,0,0]=4 880 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [1,0,0,0,0,0|3,0,0]=4 881 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [1,0,0,0,0,0|3,0,0]=4 882 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [1,0,0,0,0,0|3,0,0]=4 883 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [1,0,0,0,0,0|3,0,0]=4 884 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,0,0,0,0,0|3,0,0]=4 885 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,0,0,0,0,0|3,0,0]=4 886 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,0,0,0,0,0|3,0,0]=4 887 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,0,0,0,0,0|3,0,0]=4 888 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,0,0,0,0,0|3,0,0]=4 889 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,0,0,0,0,0|3,0,0]=4 890 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,0,0,0,0,0|3,0,0]=4 891 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,0,0,0,0,0|3,0,0]=4 892 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,0,0,0,0,0|3,0,0]=4 893 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,0,0,0,0,0|3,0,0]=4 894 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,0,0,0,0,0|3,0,0]=4 895 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,0,0,0,0,0|3,0,0]=4 896 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,0,0,0,0,0|3,0,0]=4 897 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,0,0,0,0,0|3,0,0]=4 898 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,0,0,0,0,0|3,0,0]=4 899 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [1,0,0,0,0,0|3,0,0]=4 900 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,0,0,0,0,0|3,0,0]=4 901 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,0,0,0,0,0|3,0,0]=4 902 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,0,0,0,0,0|3,0,0]=4 903 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,0,0,0,0,0|3,0,0]=4 904 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,0,0,0,0,0|3,0,0]=4 905 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,0,0,0,0,0|3,0,0]=4 906 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [1,0,0,0,0,0|3,0,0]=4 907 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [1,0,0,0,0,0|3,0,0]=4 908 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,0,0,0,0,0|3,0,0]=4 909 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,0,0,0,0,0|3,0,0]=4 910 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,0,0,0,0,0|3,0,0]=4 911 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,0,0,0,0,0|3,0,0]=4 912 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,0,0,0,0,0|3,0,0]=4 913 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,0,0,0,0,0|3,0,0]=4 914 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,0,0,0,0,0|3,0,0]=4 915 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,0,0,0,0,0|3,0,0]=4 916 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,0,0,0,0|1,0,1]=3 917 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,0,0,0,0|1,0,1]=3 918 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,0,0,0,0|1,0,1]=3 919 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,0,0,0,0|2,0,1]=4 920 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,0,0,0,0|2,0,1]=4 921 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,0,0,0,0|2,0,1]=4 922 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,0,0,0,0|2,0,1]=4 923 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,0,0,0,0,0|2,0,1]=4 924 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,0,0,0,0,0|2,0,1]=4 925 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,0,0,0,0,0|1,0,1]=3 926 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,0,0,0,0|2,0,1]=4 927 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,0,0,0,0,0|2,0,1]=4 928 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,0,0,0,0,0|2,0,1]=4 929 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,0,0,0,0,0|1,0,2]=4 930 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,0,0,0,0,0|2,0,1]=4 931 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,0,0,0,0,0|2,0,1]=4 932 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,0,0,0,0,0|1,0,2]=4 933 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,0,0,0,0,0|1,0,2]=4 934 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,0,0,0,0,0|2,0,1]=4 935 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,0,0,0,0,0|2,0,1]=4 936 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,0,0,0,0|2,0,1]=4 937 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,0,0,0,0|2,0,1]=4 938 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,0,0,0,0|2,0,1]=4 939 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,0,0,0,0,0|2,0,1]=4 940 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,0,0,0,0,0|2,0,1]=4 941 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,0,0,0,0,0|2,0,1]=4 942 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,0,0,0,0,0|2,0,1]=4 943 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,0,0,0,0|2,0,1]=4 944 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,0,0,0,0|2,0,1]=4 945 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,0,0,0,0,0|2,0,1]=4 946 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,0,0,0,0,0|2,0,1]=4 947 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,0,0,0,0|2,0,1]=4 948 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,0,0,0,0,0|2,0,1]=4 949 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,0,0,0,0,0|2,0,1]=4 950 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,0,0,0,0|2,0,1]=4 951 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,0,0,0,0|2,0,1]=4 952 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,0,0,0,0|2,0,1]=4 953 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,0,0,0,0|2,0,1]=4 954 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,0,0,0,0,0|2,0,1]=4 955 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,0,0,0,0,0|2,0,1]=4 956 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,0,0,0,0|2,0,1]=4 957 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,0,0,0,0|2,0,1]=4 958 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,0,0,0,0|2,0,1]=4 959 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,0,0,0,0,0|2,0,1]=4 960 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,0,0,0,0,0|2,0,1]=4 961 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,0,0,0,0,0|2,0,1]=4 962 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,0,0,0,0,0|2,0,1]=4 963 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,0,0,0,0|2,0,1]=4 964 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,0,0,0,0,0|2,0,1]=4 965 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,0,0,0,0,0|2,0,1]=4 966 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,0,0,0,0,0|2,0,1]=4 967 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,0,0,0,0|2,0,1]=4 968 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,0,0,0,0|2,0,1]=4 969 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,0,0,0,0,0|2,0,1]=4 970 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,0,0,0,0,0|2,0,1]=4 971 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,0,0,0,0,0|2,0,1]=4 972 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,0,0,0,0,0|2,0,1]=4 973 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,0,0,0,0,0|1,0,2]=4 974 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,0,0,0,0,0|2,0,1]=4 975 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,0,0,0,0,0|2,0,1]=4 976 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,0,0,0,0,0|2,0,1]=4 977 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,0,0,0,0|2,0,1]=4 978 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,0,0,0,0,0|2,0,1]=4 979 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [1,0,0,0,0,0|2,0,1]=4 980 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 981 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 982 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [1,0,0,0,0,0|3,0,0]=4 983 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [1,0,0,0,0,0|3,0,0]=4 984 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [1,0,0,0,0,0|3,0,0]=4 985 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [1,0,0,0,0,0|3,0,0]=4 986 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [1,0,0,0,0,0|3,0,0]=4 987 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [1,0,0,0,0,0|3,0,0]=4 988 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [1,0,0,0,0,0|3,0,0]=4 989 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 990 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 991 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [1,0,0,0,0,0|3,0,0]=4 992 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [1,0,0,0,0,0|3,0,0]=4 993 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [1,0,0,0,0,0|3,0,0]=4 994 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [1,0,0,0,0,0|3,0,0]=4 995 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,0,0,0,0,0|3,0,0]=4 996 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,0,0,0,0,0|3,0,0]=4 997 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,0,0,0,0,0|3,0,0]=4 998 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,0,0,0,0,0|3,0,0]=4 999 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [1,0,0,0,0,0|3,0,0]=4 1000 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [1,0,0,0,0,0|3,0,0]=4 1001 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,0,0,0,0,0|3,0,0]=4 1002 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,0,0,0,0,0|3,0,0]=4 1003 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,0,0,0,0,0|3,0,0]=4 1004 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 1005 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [1,0,0,0,0,0|3,0,0]=4 1006 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [1,0,0,0,0,0|3,0,0]=4 1007 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [1,0,0,0,0,0|3,0,0]=4 1008 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 1009 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 1010 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [1,0,0,0,0,0|3,0,0]=4 1011 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 1012 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [1,0,0,0,0,0|3,0,0]=4 1013 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [1,0,0,0,0,0|3,0,0]=4 1014 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,0,0,0,0,0|3,0,0]=4 1015 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,0,0,0,0,0|3,0,0]=4 1016 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [1,0,0,0,0,0|3,0,0]=4 1017 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [1,0,0,0,0,0|3,0,0]=4 1018 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [1,0,0,0,0,0|3,0,0]=4 1019 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [1,0,0,0,0,0|3,0,0]=4 1020 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 1021 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,0,0,0,0,0|3,0,0]=4 1022 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [1,0,0,0,0,0|3,0,0]=4 1023 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [1,0,0,0,0,0|3,0,0]=4 1024 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [1,0,0,0,0,0|3,0,0]=4 1025 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [1,0,0,0,0,0|3,0,0]=4 1026 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [1,0,0,0,0,0|3,0,0]=4 1027 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 1028 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 1029 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 1030 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 1031 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 1032 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 1033 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [1,0,0,0,0,0|3,0,0]=4 1034 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [1,0,0,0,0,0|3,0,0]=4 1035 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [1,0,0,0,0,0|3,0,0]=4 1036 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [1,0,0,0,0,0|3,0,0]=4 1037 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [1,0,0,0,0,0|3,0,0]=4 1038 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [1,0,0,0,0,0|3,0,0]=4 1039 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [1,0,0,0,0,0|3,0,0]=4 1040 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [1,0,0,0,0,0|2,0,1]=4 1041 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 1042 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,0,0,0,0,0|3,0,0]=4 1043 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,0,0,0,0,0|2,0,0]=3 1044 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,0,0,0,0|2,0,0]=3 1045 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [1,0,0,0,0,0|3,0,0]=4 1046 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [1,0,0,0,0,0|3,0,0]=4 1047 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [1,0,0,0,0,0|3,0,0]=4 1048 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [1,0,0,0,0,0|3,0,0]=4 1049 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [1,0,0,0,0,0|3,0,0]=4 1050 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [1,0,0,0,0,0|2,0,1]=4 1051 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [1,0,0,0,0,0|2,0,1]=4 1052 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [1,0,0,0,0,0|2,0,1]=4 1053 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [1,0,0,0,0,0|2,0,1]=4 1054 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [1,0,0,0,0,0|2,0,1]=4 1055 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [1,0,0,0,0,0|2,0,1]=4 1056 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [1,0,0,0,0,0|2,0,1]=4 1057 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [1,0,0,0,0,0|2,0,1]=4 1058 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [1,0,0,0,0,0|2,0,1]=4 1059 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [1,0,0,0,0,0|2,0,0]=3 1060 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [1,0,0,0,0,0|2,0,1]=4 1061 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [1,0,0,0,0,0|2,0,1]=4 1062 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [1,0,0,0,0,0|3,0,0]=4 1063 B10R0.4 O=CCNCCOCC(=O)O 269956a_100000700818_200015260668 [1,0,0,0,0,0|3,0,0]=4 1064 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,0,0,0,0|2,0,0]=3 1065 B10R0.71 C#CCCCCCNCC=C 2230a_100020586998_100012094781 [1,0,0,0,0,0|2,0,1]=4 1066 B10R0.71 C#CCCCCCOCC=C 34a_100000766912_100015514636 [1,0,0,0,0,0|2,0,1]=4 1067 B10R0.71 C#CCCCCCOCC=C 34a_200000210373_100012094781 [1,0,0,0,0,0|2,0,1]=4 1068 B10R0.71 C#CCCCCCOCC=C 7a_100000766912_100015514636 [1,0,0,0,0,0|2,0,1]=4 1069 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [1,0,0,0,0,0|1,0,2]=4 1070 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [1,0,0,0,0,0|1,0,2]=4 1071 B10R0.71 C#CCCCCCSCC=C 62a_100000210623_100012094781 [1,0,0,0,0,0|2,0,1]=4 1072 B10R0.71 C#CCCCCCSCC=C 62a_100012094781_100000210623 [1,0,0,0,0,0|2,0,1]=4 1073 B10R0.71 C#CCCCCCSCC=O 62a_100012094781_200015260668 [1,0,0,0,0,0|1,0,2]=4 1074 B10R0.71 C#CCCCCCSCC=O 62a_200015260668_100012094781 [1,0,0,0,0,0|1,0,2]=4 1075 B10R0.71 C#CCCCCNCCC=C 2230a_100000706060_100000754431 [1,0,0,0,0,0|2,0,1]=4 1076 B10R0.71 C#CCCCCNCCC=C 2230a_100015191253_100010269958 [1,0,0,0,0,0|2,0,1]=4 1077 B10R0.71 C#CCCCCNCCC=C 34a_100000706060_100000754431 [1,0,0,0,0,0|2,0,1]=4 1078 B10R0.71 C#CCCCCOCCC=C 34a_100000766709_100000754431 [1,0,0,0,0,0|2,0,1]=4 1079 B10R0.71 C#CCCCCOCCC=C 34a_100011205117_100010269958 [1,0,0,0,0,0|2,0,1]=4 1080 B10R0.71 C#CCCCCOCCC=C 7a_100000766709_100000754431 [1,0,0,0,0,0|2,0,1]=4 1081 B10R0.71 C#CCCCCSCCC=C 62a_100000754431_100010269958 [1,0,0,0,0,0|2,0,1]=4 1082 B10R0.71 C#CCCCCSCCC=C 62a_100010269958_100000754431 [1,0,0,0,0,0|2,0,1]=4 1083 B10R0.71 C#CCCCNCCCC=C 2230a_100000700776_100000731252 [1,0,0,0,0,0|2,0,1]=4 1084 B10R0.71 C#CCCCNCCCC=C 34a_100000700776_100000695029 [1,0,0,0,0,0|2,0,1]=4 1085 B10R0.71 C#CCCCNCCCC=C 34a_100000718082_100000757094 [1,0,0,0,0,0|2,0,1]=4 1086 B10R0.71 C#CCCCOCCCC=C 34a_100000215630_100000757094 [1,0,0,0,0,0|2,0,1]=4 1087 B10R0.71 C#CCCCOCCCC=C 34a_100000758997_100000695029 [1,0,0,0,0,0|2,0,1]=4 1088 B10R0.71 C#CCCCOCCCC=C 7a_100000215630_100000757094 [1,0,0,0,0,0|2,0,1]=4 1089 B10R0.71 C#CCCCOCCCC=C 7a_100000758997_100011215417 [1,0,0,0,0,0|2,0,1]=4 1090 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [1,0,0,0,0,0|1,0,2]=4 1091 B10R0.71 C#CCCCSCCCC=C 62a_100011215417_100000757094 [1,0,0,0,0,0|2,0,1]=4 1092 B10R0.71 C#CCCCSCCCC=C 62a_100011713584_100011215417 [1,0,0,0,0,0|2,0,1]=4 1093 B10R0.71 C#CCCCSCCCC=O 62a_100011215417_200011292268 [1,0,0,0,0,0|1,0,2]=4 1094 B10R0.71 C#CCCCSCCCC=O 62a_200011292268_100011215417 [1,0,0,0,0,0|1,0,2]=4 1095 B10R0.71 C#CCCNCCCCC=C 2230a_100000703577_100000688953 [1,0,0,0,0,0|2,0,1]=4 1096 B10R0.71 C#CCCNCCCCC=C 34a_100000703577_100000688953 [1,0,0,0,0,0|2,0,1]=4 1097 B10R0.71 C#CCCNCCCCC=C 34a_100000755551_100011215482 [1,0,0,0,0,0|2,0,1]=4 1098 B10R0.71 C#CCCOCCCCC=C 34a_100000766645_100000688953 [1,0,0,0,0,0|2,0,1]=4 1099 B10R0.71 C#CCCOCCCCC=C 34a_100011215631_100011215482 [1,0,0,0,0,0|2,0,1]=4 1100 B10R0.71 C#CCCOCCCCC=C 7a_100000766645_100000688953 [1,0,0,0,0,0|2,0,1]=4 1101 B10R0.71 C#CCCSCCCCC=C 62a_100000688953_100011215482 [1,0,0,0,0,0|2,0,1]=4 1102 B10R0.71 C#CCCSCCCCC=C 62a_100011215482_100000688953 [1,0,0,0,0,0|2,0,1]=4 1103 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [1,0,0,0,0,0|1,0,2]=4 1104 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [1,0,0,0,0,0|1,0,2]=4 1105 B10R0.71 C#CCNCCCCCC=C 34a_100000212058_100000700193 [1,0,0,0,0,0|2,0,1]=4 1106 B10R0.71 C#CCOCCCCCC=C 34a_100000210247_100000700193 [1,0,0,0,0,0|2,0,1]=4 1107 B10R0.71 C#CCOCCCCCC=C 34a_100011216702_100000184674 [1,0,0,0,0,0|2,0,1]=4 1108 B10R0.71 C#CCOCCCCCC=C 7a_100011216702_100000038162 [1,0,0,0,0,0|2,0,1]=4 1109 B10R0.71 C#CCSCCCCCC=C 62a_100000038162_100000700193 [1,0,0,0,0,0|2,0,1]=4 1110 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [1,0,0,0,0,0|1,0,2]=4 1111 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [1,0,0,0,0,0|1,0,2]=4 1112 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [1,0,0,0,0,0|1,0,2]=4 1113 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,0,0,0,0,0|2,0,0]=3 1114 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,0,0,0,0,0|2,0,0]=3 1115 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,0,0,0,0,0|2,0,0]=3 1116 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|2,0,0]=3 1117 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|2,0,0]=3 1118 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|2,0,0]=3 1119 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|2,0,0]=3 1120 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|2,0,0]=3 1121 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,0,0,0,0,0|2,0,0]=3 1122 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,0,0,0,0,0|2,0,0]=3 1123 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,0,0,0,0,0|2,0,0]=3 1124 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,0,0,0,0,0|2,0,0]=3 1125 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,0,0,0,0|2,0,1]=4 1126 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,0,0,0,0|2,0,1]=4 1127 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,0,0,0,0|2,0,1]=4 1128 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,0,0,0,0|2,0,1]=4 1129 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [1,0,0,0,0,0|2,0,1]=4 1130 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [1,0,0,0,0,0|2,0,1]=4 1131 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,0,0,0,0|2,0,1]=4 1132 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,0,0,0,0|2,0,1]=4 1133 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [1,0,0,0,0,0|2,0,1]=4 1134 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [1,0,0,0,0,0|2,0,1]=4 1135 B10R0.71 C=CCCCCCNCC=C 2230a_100020586998_100000700193 [1,0,0,0,0,0|2,0,0]=3 1136 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [1,0,0,0,0,0|2,0,1]=4 1137 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [1,0,0,0,0,0|1,0,1]=3 1138 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [1,0,0,0,0,0|1,0,1]=3 1139 B10R0.71 C=CCCCCCOCC#N 7a_100011216702_100011215382 [1,0,0,0,0,0|2,0,1]=4 1140 B10R0.71 C=CCCCCCOCC=C 34a_100011216702_100015514636 [1,0,0,0,0,0|2,0,0]=3 1141 B10R0.71 C=CCCCCCOCC=C 34a_200000210373_100000700193 [1,0,0,0,0,0|2,0,0]=3 1142 B10R0.71 C=CCCCCCOCC=C 7a_100011216702_100015514636 [1,0,0,0,0,0|2,0,0]=3 1143 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [1,0,0,0,0,0|1,0,0]=2 1144 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [1,0,0,0,0,0|1,0,0]=2 1145 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [1,0,0,0,0,0|2,0,1]=4 1146 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,0,0,0,0|2,0,1]=4 1147 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,0,0,0,0|2,0,1]=4 1148 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,0,0,0,0|2,0,1]=4 1149 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [1,0,0,0,0,0|2,0,1]=4 1150 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [1,0,0,0,0,0|2,0,1]=4 1151 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [1,0,0,0,0,0|2,0,1]=4 1152 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [1,0,0,0,0,0|1,0,1]=3 1153 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [1,0,0,0,0,0|1,0,1]=3 1154 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [1,0,0,0,0,0|3,0,0]=4 1155 B10R0.71 C=CCCCCCSCC#N 62a_100000700193_100011215382 [1,0,0,0,0,0|2,0,1]=4 1156 B10R0.71 C=CCCCCCSCC#N 62a_100011215382_100000700193 [1,0,0,0,0,0|2,0,1]=4 1157 B10R0.71 C=CCCCCCSCC=C 62a_100000210623_100000700193 [1,0,0,0,0,0|2,0,0]=3 1158 B10R0.71 C=CCCCCCSCC=C 62a_100000700193_100000210623 [1,0,0,0,0,0|2,0,0]=3 1159 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [1,0,0,0,0,0|1,0,0]=2 1160 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [1,0,0,0,0,0|1,0,0]=2 1161 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,0,0,0,0,0|2,0,1]=4 1162 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,0,0,0,0,0|2,0,1]=4 1163 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [1,0,0,0,0,0|2,0,1]=4 1164 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [1,0,0,0,0,0|2,0,1]=4 1165 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [1,0,0,0,0,0|1,0,1]=3 1166 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [1,0,0,0,0,0|1,0,1]=3 1167 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [1,0,0,0,0,0|3,0,0]=4 1168 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [1,0,0,0,0,0|3,0,0]=4 1169 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [1,0,0,0,0,0|3,0,0]=4 1170 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [1,0,0,0,0,0|3,0,0]=4 1171 B10R0.71 C=CCCCCNC/C=C/C 34a_100000703577_100102629194 [1,0,0,0,0,0|2,0,1]=4 1172 B10R0.71 C=CCCCCNCC=CC 2230a_100000703577_100000070051 [1,0,0,0,0,0|2,0,1]=4 1173 B10R0.71 C=CCCCCNCC=CC 34a_100000703577_100000070051 [1,0,0,0,0,0|2,0,1]=4 1174 B10R0.71 C=CCCCCNCCC#N 2230a_100000703577_100011215226 [1,0,0,0,0,0|2,0,1]=4 1175 B10R0.71 C=CCCCCNCCC=C 2230a_100000703577_100000754431 [1,0,0,0,0,0|2,0,0]=3 1176 B10R0.71 C=CCCCCNCCC=C 2230a_100015191253_100011215482 [1,0,0,0,0,0|2,0,0]=3 1177 B10R0.71 C=CCCCCNCCC=C 34a_100000703577_100000754431 [1,0,0,0,0,0|2,0,0]=3 1178 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,0,0,0,0,0|2,0,1]=4 1179 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,0,0,0,0,0|2,0,1]=4 1180 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,0,0,0,0,0|2,0,1]=4 1181 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,0,0,0,0,0|2,0,1]=4 1182 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [1,0,0,0,0,0|2,0,1]=4 1183 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [1,0,0,0,0,0|2,0,1]=4 1184 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [1,0,0,0,0,0|2,0,1]=4 1185 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [1,0,0,0,0,0|2,0,1]=4 1186 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [1,0,0,0,0,0|1,0,1]=3 1187 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [1,0,0,0,0,0|1,0,1]=3 1188 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [1,0,0,0,0,0|3,0,0]=4 1189 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [1,0,0,0,0,0|3,0,0]=4 1190 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [1,0,0,0,0,0|3,0,0]=4 1191 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [1,0,0,0,0,0|3,0,0]=4 1192 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [1,0,0,0,0,0|3,0,0]=4 1193 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [1,0,0,0,0,0|3,0,0]=4 1194 B10R0.71 C=CCCCCOC/C=C/C 34a_100000766645_100102629194 [1,0,0,0,0,0|2,0,1]=4 1195 B10R0.71 C=CCCCCOC/C=C/C 34a_100016270725_100011215482 [1,0,0,0,0,0|2,0,1]=4 1196 B10R0.71 C=CCCCCOC/C=C/C 7a_100000766645_100102629194 [1,0,0,0,0,0|2,0,1]=4 1197 B10R0.71 C=CCCCCOCC=CC 34a_100000766645_100000070051 [1,0,0,0,0,0|2,0,1]=4 1198 B10R0.71 C=CCCCCOCC=CC 7a_100000766645_100000070051 [1,0,0,0,0,0|2,0,1]=4 1199 B10R0.71 C=CCCCCOCCC#N 7a_100000766645_100000184422 [1,0,0,0,0,0|2,0,1]=4 1200 B10R0.71 C=CCCCCOCCC=C 34a_100000766645_100000754431 [1,0,0,0,0,0|2,0,0]=3 1201 B10R0.71 C=CCCCCOCCC=C 34a_100011205117_100011215482 [1,0,0,0,0,0|2,0,0]=3 1202 B10R0.71 C=CCCCCOCCC=C 7a_100000766645_100000754431 [1,0,0,0,0,0|2,0,0]=3 1203 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [1,0,0,0,0,0|2,0,1]=4 1204 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|2,0,1]=4 1205 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|2,0,1]=4 1206 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|2,0,1]=4 1207 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|2,0,1]=4 1208 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [1,0,0,0,0,0|2,0,1]=4 1209 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [1,0,0,0,0,0|2,0,1]=4 1210 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [1,0,0,0,0,0|2,0,1]=4 1211 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [1,0,0,0,0,0|2,0,1]=4 1212 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [1,0,0,0,0,0|2,0,1]=4 1213 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [1,0,0,0,0,0|1,0,1]=3 1214 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [1,0,0,0,0,0|1,0,1]=3 1215 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [1,0,0,0,0,0|3,0,0]=4 1216 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [1,0,0,0,0,0|3,0,0]=4 1217 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [1,0,0,0,0,0|3,0,0]=4 1218 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [1,0,0,0,0,0|3,0,0]=4 1219 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [1,0,0,0,0,0|3,0,0]=4 1220 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [1,0,0,0,0,0|3,0,0]=4 1221 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [1,0,0,0,0,0|3,0,0]=4 1222 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [1,0,0,0,0,0|3,0,0]=4 1223 B10R0.71 C=CCCCCSC/C=C/C 62a_100011215482_100102629194 [1,0,0,0,0,0|2,0,1]=4 1224 B10R0.71 C=CCCCCSC/C=C/C 62a_100102629194_100011215482 [1,0,0,0,0,0|2,0,1]=4 1225 B10R0.71 C=CCCCCSCC=CC 62a_100000070051_100011215482 [1,0,0,0,0,0|2,0,1]=4 1226 B10R0.71 C=CCCCCSCC=CC 62a_100011215482_100000070051 [1,0,0,0,0,0|2,0,1]=4 1227 B10R0.71 C=CCCCCSCCC#N 62a_100011215226_100011215482 [1,0,0,0,0,0|2,0,1]=4 1228 B10R0.71 C=CCCCCSCCC#N 62a_100011215482_100011215226 [1,0,0,0,0,0|2,0,1]=4 1229 B10R0.71 C=CCCCCSCCC=C 62a_100000754431_100011215482 [1,0,0,0,0,0|2,0,0]=3 1230 B10R0.71 C=CCCCCSCCC=C 62a_100011215482_100000754431 [1,0,0,0,0,0|2,0,0]=3 1231 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,0,0,0,0,0|2,0,1]=4 1232 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,0,0,0,0,0|2,0,1]=4 1233 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [1,0,0,0,0,0|2,0,1]=4 1234 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [1,0,0,0,0,0|2,0,1]=4 1235 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [1,0,0,0,0,0|1,0,1]=3 1236 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [1,0,0,0,0,0|1,0,1]=3 1237 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [1,0,0,0,0,0|3,0,0]=4 1238 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [1,0,0,0,0,0|3,0,0]=4 1239 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [1,0,0,0,0,0|3,0,0]=4 1240 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [1,0,0,0,0,0|3,0,0]=4 1241 B10R0.71 C=CCCCNCCCC#N 2230a_100000700776_100000687738 [1,0,0,0,0,0|2,0,1]=4 1242 B10R0.71 C=CCCCNCCCC=C 2230a_100000700776_100011713584 [1,0,0,0,0,0|2,0,0]=3 1243 B10R0.71 C=CCCCNCCCC=C 34a_100000700776_100000757094 [1,0,0,0,0,0|2,0,0]=3 1244 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [1,0,0,0,0,0|1,0,0]=2 1245 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,0,0,0,0|2,0,1]=4 1246 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,0,0,0,0|2,0,1]=4 1247 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,0,0,0,0|2,0,1]=4 1248 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [1,0,0,0,0,0|2,0,1]=4 1249 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [1,0,0,0,0,0|2,0,1]=4 1250 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [1,0,0,0,0,0|1,0,1]=3 1251 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [1,0,0,0,0,0|1,0,1]=3 1252 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [1,0,0,0,0,0|1,0,1]=3 1253 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [1,0,0,0,0,0|1,0,1]=3 1254 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [1,0,0,0,0,0|3,0,0]=4 1255 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [1,0,0,0,0,0|3,0,0]=4 1256 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [1,0,0,0,0,0|3,0,0]=4 1257 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [1,0,0,0,0,0|3,0,0]=4 1258 B10R0.71 C=CCCCNCCOC=C 2230a_100000700776_100000039644 [1,0,0,0,0,0|3,0,0]=4 1259 B10R0.71 C=CCCCNCCOC=C 34a_100000700776_100000039644 [1,0,0,0,0,0|3,0,0]=4 1260 B10R0.71 C=CCCCOCC/C=C/C 34a_100016278192_100000757094 [1,0,0,0,0,0|2,0,1]=4 1261 B10R0.71 C=CCCCOCCCC#N 7a_100000758997_100000687738 [1,0,0,0,0,0|2,0,1]=4 1262 B10R0.71 C=CCCCOCCCC=C 34a_100000758997_100000757094 [1,0,0,0,0,0|2,0,0]=3 1263 B10R0.71 C=CCCCOCCCC=C 7a_100000758997_100000757094 [1,0,0,0,0,0|2,0,0]=3 1264 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [1,0,0,0,0,0|1,0,0]=2 1265 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [1,0,0,0,0,0|2,0,1]=4 1266 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,0,0,0,0|2,0,1]=4 1267 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,0,0,0,0|2,0,1]=4 1268 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,0,0,0,0|2,0,1]=4 1269 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,0,0,0,0|2,0,1]=4 1270 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [1,0,0,0,0,0|2,0,1]=4 1271 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [1,0,0,0,0,0|2,0,1]=4 1272 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [1,0,0,0,0,0|2,0,1]=4 1273 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [1,0,0,0,0,0|2,0,1]=4 1274 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [1,0,0,0,0,0|2,0,1]=4 1275 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [1,0,0,0,0,0|2,0,1]=4 1276 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [1,0,0,0,0,0|2,0,1]=4 1277 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [1,0,0,0,0,0|2,0,1]=4 1278 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [1,0,0,0,0,0|1,0,1]=3 1279 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [1,0,0,0,0,0|1,0,1]=3 1280 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [1,0,0,0,0,0|3,0,0]=4 1281 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [1,0,0,0,0,0|3,0,0]=4 1282 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [1,0,0,0,0,0|3,0,0]=4 1283 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [1,0,0,0,0,0|3,0,0]=4 1284 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [1,0,0,0,0,0|3,0,0]=4 1285 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [1,0,0,0,0,0|3,0,0]=4 1286 B10R0.71 C=CCCCOCCOC=C 34a_100000033082_100000757094 [1,0,0,0,0,0|3,0,0]=4 1287 B10R0.71 C=CCCCOCCOC=C 34a_100000758997_100000039644 [1,0,0,0,0,0|3,0,0]=4 1288 B10R0.71 C=CCCCOCCOC=C 7a_100000758997_100000039644 [1,0,0,0,0,0|3,0,0]=4 1289 B10R0.71 C=CCCCSCCCC#N 62a_100000687738_100000757094 [1,0,0,0,0,0|2,0,1]=4 1290 B10R0.71 C=CCCCSCCCC#N 62a_100011713584_100000687738 [1,0,0,0,0,0|2,0,1]=4 1291 B10R0.71 C=CCCCSCCCC=C 62a_100011713584_100000757094 [1,0,0,0,0,0|2,0,0]=3 1292 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [1,0,0,0,0,0|1,0,0]=2 1293 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [1,0,0,0,0,0|1,0,0]=2 1294 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,0,0,0,0|2,0,1]=4 1295 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,0,0,0,0|2,0,1]=4 1296 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [1,0,0,0,0,0|2,0,1]=4 1297 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [1,0,0,0,0,0|2,0,1]=4 1298 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [1,0,0,0,0,0|1,0,1]=3 1299 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [1,0,0,0,0,0|1,0,1]=3 1300 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [1,0,0,0,0,0|3,0,0]=4 1301 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [1,0,0,0,0,0|3,0,0]=4 1302 B10R0.71 C=CCCCSCCOC=C 62a_100000039644_100000757094 [1,0,0,0,0,0|3,0,0]=4 1303 B10R0.71 C=CCCCSCCOC=C 62a_100011713584_100000039644 [1,0,0,0,0,0|3,0,0]=4 1304 B10R0.71 C=CCCNCCCCC#N 2230a_100015191253_100000211819 [1,0,0,0,0,0|2,0,1]=4 1305 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [1,0,0,0,0,0|1,0,0]=2 1306 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|2,0,1]=4 1307 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|2,0,1]=4 1308 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [1,0,0,0,0,0|2,0,1]=4 1309 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [1,0,0,0,0,0|1,0,1]=3 1310 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [1,0,0,0,0,0|1,0,1]=3 1311 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [1,0,0,0,0,0|1,0,1]=3 1312 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [1,0,0,0,0,0|3,0,0]=4 1313 B10R0.71 C=CCCNCCCOC=C 2230a_100000210767_100000754431 [1,0,0,0,0,0|3,0,0]=4 1314 B10R0.71 C=CCCNCCCOC=C 34a_100000210767_100000754431 [1,0,0,0,0,0|3,0,0]=4 1315 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [1,0,0,0,0,0|2,0,1]=4 1316 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [1,0,0,0,0,0|2,0,1]=4 1317 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [1,0,0,0,0,0|2,0,1]=4 1318 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [1,0,0,0,0,0|2,0,1]=4 1319 B10R0.71 C=CCCOCCCC=CC 34a_100020645299_100000754431 [1,0,0,0,0,0|2,0,1]=4 1320 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [1,0,0,0,0,0|2,0,1]=4 1321 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [1,0,0,0,0,0|2,0,1]=4 1322 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|2,0,1]=4 1323 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|2,0,1]=4 1324 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|2,0,1]=4 1325 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [1,0,0,0,0,0|2,0,1]=4 1326 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [1,0,0,0,0,0|2,0,1]=4 1327 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [1,0,0,0,0,0|2,0,1]=4 1328 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [1,0,0,0,0,0|2,0,1]=4 1329 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [1,0,0,0,0,0|2,0,1]=4 1330 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [1,0,0,0,0,0|2,0,1]=4 1331 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,0,0,0,0,0|1,0,1]=3 1332 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [1,0,0,0,0,0|3,0,0]=4 1333 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [1,0,0,0,0,0|3,0,0]=4 1334 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [1,0,0,0,0,0|3,0,0]=4 1335 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [1,0,0,0,0,0|3,0,0]=4 1336 B10R0.71 C=CCCOCCOCC=C 34a_100000037705_100000754431 [1,0,0,0,0,0|3,0,0]=4 1337 B10R0.71 C=CCCOCCOCC=C 7a_100000037705_100000754431 [1,0,0,0,0,0|3,0,0]=4 1338 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [1,0,0,0,0,0|2,0,1]=4 1339 B10R0.71 C=CCCSCCCCC#N 62a_100000754431_100000211819 [1,0,0,0,0,0|2,0,1]=4 1340 B10R0.71 C=CCCSCCCCC#N 62a_100011219923_100000754431 [1,0,0,0,0,0|2,0,1]=4 1341 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [1,0,0,0,0,0|1,0,0]=2 1342 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [1,0,0,0,0,0|1,0,0]=2 1343 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|2,0,1]=4 1344 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|2,0,1]=4 1345 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [1,0,0,0,0,0|2,0,1]=4 1346 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [1,0,0,0,0,0|2,0,1]=4 1347 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [1,0,0,0,0,0|1,0,1]=3 1348 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [1,0,0,0,0,0|1,0,1]=3 1349 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [1,0,0,0,0,0|3,0,0]=4 1350 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [1,0,0,0,0,0|3,0,0]=4 1351 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [1,0,0,0,0,0|2,0,1]=4 1352 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [1,0,0,0,0,0|2,0,1]=4 1353 B10R0.71 C=CCNCCCCCC#N 2230a_100020586998_100009813376 [1,0,0,0,0,0|2,0,1]=4 1354 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [1,0,0,0,0,0|1,0,0]=2 1355 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|2,0,1]=4 1356 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|2,0,1]=4 1357 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [1,0,0,0,0,0|2,0,1]=4 1358 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [1,0,0,0,0,0|1,0,1]=3 1359 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [1,0,0,0,0,0|1,0,1]=3 1360 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [1,0,0,0,0,0|1,0,1]=3 1361 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [1,0,0,0,0,0|3,0,0]=4 1362 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [1,0,0,0,0,0|3,0,0]=4 1363 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,0,0,0,0,0|2,0,1]=4 1364 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,0,0,0,0,0|2,0,1]=4 1365 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|2,0,1]=4 1366 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|2,0,1]=4 1367 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|2,0,1]=4 1368 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,0,0,0,0,0|2,0,1]=4 1369 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,0,0,0,0,0|2,0,1]=4 1370 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,0,0,0,0,0|2,0,1]=4 1371 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,0,0,0,0,0|2,0,1]=4 1372 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,0,0,0,0,0|2,0,1]=4 1373 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,0,0,0,0,0|2,0,1]=4 1374 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,0,0,0,0,0|1,0,1]=3 1375 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,0,0,0,0,0|3,0,0]=4 1376 B10R0.71 C=CCOCCCCOC=C 34a_100000031558_100015514636 [1,0,0,0,0,0|3,0,0]=4 1377 B10R0.71 C=CCOCCCCOC=C 7a_100000031558_100015514636 [1,0,0,0,0,0|3,0,0]=4 1378 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [1,0,0,0,0,0|2,0,1]=4 1379 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [1,0,0,0,0,0|2,0,1]=4 1380 B10R0.71 C=CCSCCCCCC#N 62a_100000210623_100009813376 [1,0,0,0,0,0|2,0,1]=4 1381 B10R0.71 C=CCSCCCCCC#N 62a_100009813376_100000210623 [1,0,0,0,0,0|2,0,1]=4 1382 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [1,0,0,0,0,0|1,0,0]=2 1383 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [1,0,0,0,0,0|1,0,0]=2 1384 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|2,0,1]=4 1385 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|2,0,1]=4 1386 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [1,0,0,0,0,0|2,0,1]=4 1387 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [1,0,0,0,0,0|2,0,1]=4 1388 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [1,0,0,0,0,0|1,0,1]=3 1389 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [1,0,0,0,0,0|1,0,1]=3 1390 B10R0.71 C=COCCCCOCC=O 34a_100000031558_200009817547 [1,0,0,0,0,0|2,0,0]=3 1391 B10R0.71 C=COCCCCOCC=O 7a_100000031558_200015260668 [1,0,0,0,0,0|2,0,0]=3 1392 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [1,0,0,0,0,0|2,0,1]=4 1393 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [1,0,0,0,0,0|2,0,1]=4 1394 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [1,0,0,0,0,0|2,0,1]=4 1395 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [1,0,0,0,0,0|2,0,1]=4 1396 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [1,0,0,0,0,0|2,0,1]=4 1397 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [1,0,0,0,0,0|2,0,1]=4 1398 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [1,0,0,0,0,0|2,0,1]=4 1399 B10R0.71 C=COCCSCCCC=O 62a_100000039644_200011292268 [1,0,0,0,0,0|2,0,0]=3 1400 B10R0.71 C=COCCSCCCC=O 62a_200011292268_100000039644 [1,0,0,0,0,0|2,0,0]=3 1401 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [1,0,0,0,0,0|2,0,1]=4 1402 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [1,0,0,0,0,0|2,0,1]=4 1403 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [1,0,0,0,0,0|1,0,2]=4 1404 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [1,0,0,0,0,0|1,0,2]=4 1405 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|1,0,2]=4 1406 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|1,0,2]=4 1407 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|1,0,2]=4 1408 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|1,0,2]=4 1409 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|1,0,2]=4 1410 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,0,0,0,0|1,0,2]=4 1411 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,0,0,0,0|1,0,2]=4 1412 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,0,0,0,0|1,0,2]=4 1413 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,0,0,0,0|1,0,2]=4 1414 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,0,0,0,0|1,0,2]=4 1415 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,0,0,0,0|1,0,2]=4 1416 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|1,0,2]=4 1417 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,0,0,0,0|1,0,2]=4 1418 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,0,0,0,0|1,0,2]=4 1419 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,0,0,0,0|1,0,2]=4 1420 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,0,0,0,0|1,0,2]=4 1421 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,0,0,0,0|1,0,2]=4 1422 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,0,0,0,0|1,0,2]=4 1423 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,0,0,0,0|1,0,2]=4 1424 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,0,0,0,0|1,0,2]=4 1425 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,0,0,0,0|1,0,2]=4 1426 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,0,0,0,0,0|2,0,1]=4 1427 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,0,0,0,0|1,0,2]=4 1428 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,0,0,0,0,0|2,0,1]=4 1429 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,0,0,0,0,0|2,0,1]=4 1430 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,0,0,0,0,0|2,0,1]=4 1431 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,0,0,0,0,0|2,0,1]=4 1432 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,0,0,0,0,0|2,0,1]=4 1433 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,0,0,0,0,0|2,0,1]=4 1434 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,0,0,0,0,0|2,0,1]=4 1435 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [1,0,0,0,0,0|2,0,1]=4 1436 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [1,0,0,0,0,0|2,0,1]=4 1437 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,0,0,0,0|1,0,2]=4 1438 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,0,0,0,0|1,0,2]=4 1439 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,0,0,0,0,0|2,0,1]=4 1440 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,0,0,0,0,0|2,0,1]=4 1441 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [1,0,0,0,0,0|2,0,1]=4 1442 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,0,0,0,0,0|2,0,1]=4 1443 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [1,0,0,0,0,0|2,0,1]=4 1444 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [1,0,0,0,0,0|2,0,1]=4 1445 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [1,0,0,0,0,0|2,0,1]=4 1446 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [1,0,0,0,0,0|2,0,1]=4 1447 B10R0.71 N#CCCCCCSCC=O 62a_100009813376_200015260668 [1,0,0,0,0,0|2,0,1]=4 1448 B10R0.71 N#CCCCCCSCC=O 62a_200015260668_100009813376 [1,0,0,0,0,0|2,0,1]=4 1449 B10R0.71 N#CCCCSCCCC=O 62a_100000687738_200011292268 [1,0,0,0,0,0|2,0,1]=4 1450 B10R0.71 N#CCCCSCCCC=O 62a_200011292268_100000687738 [1,0,0,0,0,0|2,0,1]=4 1451 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [1,0,0,0,0,0|2,0,1]=4 1452 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [1,0,0,0,0,0|2,0,1]=4 1453 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [1,0,0,0,0,0|2,0,1]=4 1454 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [1,0,0,0,0,0|2,0,1]=4 1455 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,1]=4 1456 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,0,0,0,0,0|2,0,1]=4 1457 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [1,0,0,0,0,0|2,0,0]=3 1458 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [1,0,0,0,0,0|2,0,0]=3 1459 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [1,0,0,0,0,0|2,0,1]=4 1460 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [1,0,0,0,0,0|2,0,1]=4 1461 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,0,0,0,0,0|2,0,1]=4 1462 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,0,0,0,0,0|2,0,1]=4 1463 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [1,0,0,0,0,0|2,0,1]=4 1464 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [1,0,0,0,0,0|2,0,1]=4 1465 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [1,0,0,0,0,0|2,0,1]=4 1466 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,0,0,0,0,0|2,0,1]=4 1467 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,0,0,0,0,0|2,0,1]=4 1468 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,0,0,0,0,0|2,0,1]=4 1469 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,0,0,0,0,0|2,0,1]=4 1470 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,0,0,0,0,0|2,0,1]=4 1471 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [1,0,0,0,0,0|2,0,0]=3 1472 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,0,0,0,0,0|2,0,1]=4 1473 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,0,0,0,0,0|2,0,1]=4 1474 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,0,0,0,0,0|2,0,1]=4 1475 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,0,0,0,0,0|2,0,1]=4 1476 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,0,0,0,0,0|2,0,1]=4 1477 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,1]=4 1478 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,0,0,0,0,0|2,0,1]=4 1479 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,0,0,0,0,0|2,0,1]=4 1480 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,0,0,0,0,0|2,0,1]=4 1481 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,0,0,0,0,0|2,0,1]=4 1482 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,0,0,0,0,0|2,0,1]=4 1483 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,0,0,0,0,0|2,0,1]=4 1484 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,0,0,0,0,0|2,0,1]=4 1485 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,0,0,0,0,0|2,0,1]=4 1486 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,0,0,0,0,0|2,0,1]=4 1487 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,0,0,0,0,0|2,0,1]=4 1488 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,0,0,0,0|1,0,2]=4 1489 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,0,0,0,0|1,0,2]=4 1490 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,0,0,0,0|1,0,2]=4 1491 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,0,0,0,0|1,0,2]=4 1492 B12R0.4 C#CCCCCCN(C)CC(=O)O 269956a_100000746989_100012094781 [0,1,0,0,0,0|1,0,2]=4 1493 B12R0.4 C#CCCCNCC(O)CC(=O)O 269956a_100011218706_100011215417 [0,1,0,0,0,0|1,0,2]=4 1494 B12R0.4 C=CCCCCCC(=O)CC(=C)C 1458a_100011934241_100000748629 [0,1,0,0,0,0|2,0,1]=4 1495 B12R0.4 C=CCCCCCC(=O)CC(=C)F 1458a_100011934241_100009893438 [0,1,0,0,0,0|2,0,1]=4 1496 B12R0.4 C=CCCCCCC(=O)CC(=O)N 1458a_100011934241_100000187820 [0,1,0,0,0,0|1,0,1]=3 1497 B12R0.4 C=CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000700193 [0,1,0,0,0,0|1,0,1]=3 1498 B12R0.4 C=CCCCCCC(=O)CC(=O)[O-] 1458a_100011934241_100020667443 [0,1,0,0,0,0|0,0,2]=3 1499 B12R0.4 C=CCCCCCC(=O)CC(C)O 1458a_100011934241_100011218427 [0,1,0,0,0,0|1,0,2]=4 1500 B12R0.4 C=CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000700193 [0,1,0,0,0,0|1,0,2]=4 1501 B12R0.4 C=CCCCCCC(=O)C[N+](=O)[O-] 1458a_100011934241_100000761209 [0,1,0,0,0,0|1,0,2]=4 1502 B12R0.4 C=CCCCCCN(C)CC(=C)C 2230a_100000225649_100000700193 [0,1,0,0,0,0|3,0,0]=4 1503 B12R0.4 C=CCCCCCN(C)CC(=C)C 269982a_100000225649_100000700193 [0,1,0,0,0,0|3,0,0]=4 1504 B12R0.4 C=CCCCCCN(C)CC(=O)N 2230a_100000739694_100000700193 [0,1,0,0,0,0|2,0,0]=3 1505 B12R0.4 C=CCCCCCN(C)CC(=O)O 269956a_100000746989_100000700193 [0,1,0,0,0,0|1,0,0]=2 1506 B12R0.4 C=CCCCCCN(C)CC(C)O 2230a_100000227577_100000700193 [0,1,0,0,0,0|2,0,1]=4 1507 B12R0.4 C=CCCCCCN(C)CC(C)O 269982a_100000227577_100000700193 [0,1,0,0,0,0|2,0,1]=4 1508 B12R0.4 C=CCCCCNC(=O)CC(=O)N 240690a_100000703577_100134613110 [0,1,0,0,0,0|2,0,1]=4 1509 B12R0.4 C=CCCCCNC(=O)CC(=O)N 527a_100000703577_100134613110 [0,1,0,0,0,0|2,0,1]=4 1510 B12R0.4 C=CCCCCSC(C)OC(=O)C 62a_100009818208_100011215482 [0,1,0,0,0,0|3,0,0]=4 1511 B12R0.4 C=CCCCCSC(C)OC(=O)C 62a_100011215482_100009818208 [0,1,0,0,0,0|3,0,0]=4 1512 B12R0.4 C=CCCCNCC(O)CC(=O)O 269956a_100011218706_100011713584 [0,1,0,0,0,0|1,0,0]=2 1513 B12R0.4 C=COCCNCC(O)CC(=O)O 269956a_100011218706_100000039644 [0,1,0,0,0,0|2,0,0]=3 1514 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,1,0,0,0,0|1,0,2]=4 1515 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,1,0,0,0,0|1,0,2]=4 1516 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,1,0,0,0,0|1,0,2]=4 1517 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,1,0,0,0,0|1,0,2]=4 1518 B12R0.4 CN(CCCCCC#N)CC(=O)O 269956a_100000746989_100009813376 [0,1,0,0,0,0|2,0,1]=4 1519 B12R0.4 CN(CCCCCC=O)CC(=O)N 2230a_100000739694_100000139337 [0,1,0,0,0,0|3,0,0]=4 1520 B12R0.4 CN(CCCCCC=O)CC(=O)O 269956a_100000746989_100000139337 [0,1,0,0,0,0|2,0,0]=3 1521 B12R0.4 CN(CCCCCCF)CC(=O)O 269956a_100000746989_100015922095 [0,1,0,0,0,0|2,0,1]=4 1522 B12R0.4 CN(CCCCCCO)CC(=O)O 269956a_100000746989_100000766143 [0,1,0,0,0,0|2,0,1]=4 1523 B12R0.4 COCCCNCC(O)CC(=O)O 269956a_100011218706_100000740836 [0,1,0,0,0,0|2,0,1]=4 1524 B12R0.4 N#CCCCNCC(O)CC(=O)O 269956a_100011218706_100000687738 [0,1,0,0,0,0|2,0,1]=4 1525 B12R0.4 O=C(O)CC(O)CNCCCCF 269956a_100011218706_100000729493 [0,1,0,0,0,0|2,0,1]=4 1526 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [0,1,0,0,0,0|2,0,1]=4 1527 B12R0.4 O=CCCCNCC(O)CC(=O)O 269956a_100011218706_200011292268 [0,1,0,0,0,0|2,0,0]=3 1528 B12R0.95 C=CCCC(=O)CCCCB(O)O 1458a_100000749702_200009817182 [0,1,0,0,0,0|1,0,2]=4 1529 B12R0.95 C=CCCC(=O)CCCCC(=O)C 1458a_100000749702_100000735457 [0,1,0,0,0,0|1,0,1]=3 1530 B12R0.95 C=CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000754431 [0,1,0,0,0,0|2,0,1]=4 1531 B12R0.95 C=CCCC(=O)CCCOC(=O)C 1458a_100000749702_100000042594 [0,1,0,0,0,0|2,0,1]=4 1532 B12R0.95 C=CCCC(=O)CCCSC(=O)C 1458a_100000749702_100000038929 [0,1,0,0,0,0|2,0,1]=4 1533 B12R0.95 C=CCCC(=O)CCOCC(=O)N 1458a_100000749702_100000076697 [0,1,0,0,0,0|2,0,1]=4 1534 B12R0.95 C=CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000754431 [0,1,0,0,0,0|2,0,1]=4 1535 B12R0.95 C=CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000749702 [0,1,0,0,0,0|2,0,1]=4 1536 B12R0.95 C=CCCC(=O)NCCCC(=O)N 527a_100000739312_100000749702 [0,1,0,0,0,0|2,0,1]=4 1537 B12R0.95 C=CCCC(C)NCCCS(=O)C 270004a_200000753449_100000762624 [0,1,0,0,0,0|3,0,0]=4 1538 B12R0.95 C=CCCC(C)OCCCC(=O)C 34a_100000765329_100000685027 [0,1,0,0,0,0|2,0,0]=3 1539 B12R0.95 C=CCCC(C)OCCCC(=O)C 7a_100000765329_100011215641 [0,1,0,0,0,0|2,0,0]=3 1540 B12R0.95 C=CCCC(C)OCCCC(=O)N 34a_100000765329_100102525003 [0,1,0,0,0,0|2,0,0]=3 1541 B12R0.95 C=CCCC(C)OCCCC(=O)N 7a_100000765329_100102525003 [0,1,0,0,0,0|2,0,0]=3 1542 B12R0.95 C=CCCC(C)OCCCC(C)O 34a_100000765329_200000718107 [0,1,0,0,0,0|2,0,1]=4 1543 B12R0.95 C=CCCC(C)OCCCC(C)O 7a_100000765329_200000718107 [0,1,0,0,0,0|2,0,1]=4 1544 B12R0.95 C=CCCC(C)OCCNC(=O)C 7a_100000765329_100000189650 [0,1,0,0,0,0|3,0,0]=4 1545 B12R0.95 C=CCCC(C)OCCNC(=O)N 7a_100000765329_200000034859 [0,1,0,0,0,0|3,0,0]=4 1546 B12R0.95 C=CCCC(C)OCCOC(=O)C 34a_100000765329_100009814007 [0,1,0,0,0,0|3,0,0]=4 1547 B12R0.95 C=CCCC(C)OCCOC(=O)C 7a_100000765329_100009814007 [0,1,0,0,0,0|3,0,0]=4 1548 B12R0.95 C=CCCC(C)OCCOC(=O)N 34a_100000765329_200011214921 [0,1,0,0,0,0|3,0,0]=4 1549 B12R0.95 C=CCCC(C)OCCOC(=O)N 7a_100000765329_200011214921 [0,1,0,0,0,0|3,0,0]=4 1550 B12R0.95 C=CCCN(C)CCCCB(O)O 2230a_100020639649_200009817182 [0,1,0,0,0,0|2,0,1]=4 1551 B12R0.95 C=CCCN(C)CCCCB(O)O 269982a_100020639649_200009817182 [0,1,0,0,0,0|2,0,1]=4 1552 B12R0.95 C=CCCN(C)CCCCC(=O)C 269982a_100020639649_100000735457 [0,1,0,0,0,0|2,0,0]=3 1553 B12R0.95 C=CCCN(C)CCCOC(=O)C 269982a_100020639649_100000042594 [0,1,0,0,0,0|3,0,0]=4 1554 B12R0.95 C=CCCN(C)CCCSC(=O)C 2230a_100020639649_100000038929 [0,1,0,0,0,0|3,0,0]=4 1555 B12R0.95 C=CCCN(C)CCCSC(=O)C 269982a_100020639649_100000038929 [0,1,0,0,0,0|3,0,0]=4 1556 B12R0.95 C=CCCN(C)CCOCC(=O)N 2230a_100020639649_100000076697 [0,1,0,0,0,0|3,0,0]=4 1557 B12R0.95 C=CCCN(C)CCOCC(=O)N 269982a_100020639649_100000076697 [0,1,0,0,0,0|3,0,0]=4 1558 B12R0.95 C=CCNC(=O)CCNCC(=O)O 269956a_100016091260_100011222895 [0,1,0,0,0,0|2,0,1]=4 1559 B12R0.119 C=CCCCCCNCC(C)(C)O 2230a_100000751335_100000700193 [0,1,0,0,0,0|2,0,1]=4 1560 B12R0.119 C=CCCCCCOCC(C)(C)O 34a_100011216702_100000764493 [0,1,0,0,0,0|2,0,1]=4 1561 B12R0.119 C=CCCCCCOCC(C)(C)O 7a_100011216702_100000764493 [0,1,0,0,0,0|2,0,1]=4 1562 B12R0.119 C=CCCCCCOCS(=O)(=O)[O-] 34a_100011216702_100009817235 [0,1,0,0,0,0|2,0,1]=4 1563 B12R0.119 C=CCCCCCSCC(C)(C)O 62a_100000700193_100000764493 [0,1,0,0,0,0|2,0,1]=4 1564 B12R0.119 C=CCCCCCSCC(C)(C)O 62a_100000764493_100000700193 [0,1,0,0,0,0|2,0,1]=4 1565 B12R0.119 C=CCCCCCSCS(=O)(=O)N 62a_100000700193_100000741382 [0,1,0,0,0,0|2,0,1]=4 1566 B12R0.119 C=CCCCCCSCS(=O)(=O)N 62a_100000741382_100000700193 [0,1,0,0,0,0|2,0,1]=4 1567 B12R0.119 C=CCCCCCSCS(=O)(=O)[O-] 62a_100000700193_100009817235 [0,1,0,0,0,0|2,0,1]=4 1568 B12R0.119 C=CCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000700193 [0,1,0,0,0,0|2,0,1]=4 1569 B12R0.119 C=CCCCCNCCC(C)(C)O 2230a_100000703577_100000702414 [0,1,0,0,0,0|2,0,1]=4 1570 B12R0.119 C=CCCCCNCCC(C)(C)O 34a_100000703577_100000702414 [0,1,0,0,0,0|2,0,1]=4 1571 B12R0.119 C=CCCCCNCCS(=O)(=O)C 2230a_100000703577_100000731031 [0,1,0,0,0,0|2,0,1]=4 1572 B12R0.119 C=CCCCCNCCS(=O)(=O)C 2230a_100000740961_100011215482 [0,1,0,0,0,0|2,0,1]=4 1573 B12R0.119 C=CCCCCNCCS(=O)(=O)C 34a_100000703577_100000731031 [0,1,0,0,0,0|2,0,1]=4 1574 B12R0.119 C=CCCCCNCCS(=O)(=O)C 34a_100000740961_100011215482 [0,1,0,0,0,0|2,0,1]=4 1575 B12R0.119 C=CCCCCNCCS(=O)(=O)N 2230a_100000738205_100011215482 [0,1,0,0,0,0|2,0,1]=4 1576 B12R0.119 C=CCCCCNCCS(=O)(=O)N 34a_100000738205_100011215482 [0,1,0,0,0,0|2,0,1]=4 1577 B12R0.119 C=CCCCCNCCS(=O)(=O)[O-] 2230a_100000703577_100000737633 [0,1,0,0,0,0|2,0,1]=4 1578 B12R0.119 C=CCCCCNCCS(=O)(=O)[O-] 34a_100000703577_100000762736 [0,1,0,0,0,0|2,0,1]=4 1579 B12R0.119 C=CCCCCOCCC(C)(C)O 34a_100000766645_100000702414 [0,1,0,0,0,0|2,0,1]=4 1580 B12R0.119 C=CCCCCOCCC(C)(C)O 7a_100000766645_100000702414 [0,1,0,0,0,0|2,0,1]=4 1581 B12R0.119 C=CCCCCOCCS(=O)(=O)C 34a_100000211924_100011215482 [0,1,0,0,0,0|2,0,1]=4 1582 B12R0.119 C=CCCCCOCCS(=O)(=O)C 34a_100000766645_100000731031 [0,1,0,0,0,0|2,0,1]=4 1583 B12R0.119 C=CCCCCOCCS(=O)(=O)C 7a_100000211924_100011215482 [0,1,0,0,0,0|2,0,1]=4 1584 B12R0.119 C=CCCCCOCCS(=O)(=O)C 7a_100000766645_100000230027 [0,1,0,0,0,0|2,0,1]=4 1585 B12R0.119 C=CCCCCOCCS(=O)(=O)N 34a_100012334274_100011215482 [0,1,0,0,0,0|2,0,1]=4 1586 B12R0.119 C=CCCCCOCCS(=O)(=O)[O-] 34a_100000766645_100000762736 [0,1,0,0,0,0|2,0,1]=4 1587 B12R0.119 C=CCCCCSCCC(C)(C)O 62a_100000702414_100011215482 [0,1,0,0,0,0|2,0,1]=4 1588 B12R0.119 C=CCCCCSCCC(C)(C)O 62a_100011215482_100000702414 [0,1,0,0,0,0|2,0,1]=4 1589 B12R0.119 C=CCCCCSCCS(=O)(=O)C 62a_100000731031_100011215482 [0,1,0,0,0,0|2,0,1]=4 1590 B12R0.119 C=CCCCCSCCS(=O)(=O)C 62a_100011215482_100000230027 [0,1,0,0,0,0|2,0,1]=4 1591 B12R0.119 C=CCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100011215482 [0,1,0,0,0,0|2,0,1]=4 1592 B12R0.119 C=CCCCCSCCS(=O)(=O)[O-] 62a_100011215482_100000762736 [0,1,0,0,0,0|2,0,1]=4 1593 B12R0.119 C=CCCCNCCCC(C)(C)O 2230a_100000700776_100009888830 [0,1,0,0,0,0|2,0,1]=4 1594 B12R0.119 C=CCCCNCCCC(C)(C)O 34a_100000700776_100009888830 [0,1,0,0,0,0|2,0,1]=4 1595 B12R0.119 C=CCCCNCCCS(=O)(=O)C 2230a_100000700776_100000754308 [0,1,0,0,0,0|2,0,1]=4 1596 B12R0.119 C=CCCCNCCCS(=O)(=O)C 2230a_100000742409_100011713584 [0,1,0,0,0,0|2,0,1]=4 1597 B12R0.119 C=CCCCNCCCS(=O)(=O)C 34a_100000700776_100000754308 [0,1,0,0,0,0|2,0,1]=4 1598 B12R0.119 C=CCCCNCCCS(=O)(=O)C 34a_100000742409_100000757094 [0,1,0,0,0,0|2,0,1]=4 1599 B12R0.119 C=CCCCNCCCS(=O)(=O)N 2230a_100000700776_100000750626 [0,1,0,0,0,0|2,0,1]=4 1600 B12R0.119 C=CCCCNCCCS(=O)(=O)N 34a_100000700776_100000750626 [0,1,0,0,0,0|2,0,1]=4 1601 B12R0.119 C=CCCCNCCCS(=O)(=O)[O-] 34a_100000700776_100009813499 [0,1,0,0,0,0|2,0,1]=4 1602 B12R0.119 C=CCCCOCCCC(C)(C)O 34a_100000758997_100009888830 [0,1,0,0,0,0|2,0,1]=4 1603 B12R0.119 C=CCCCOCCCC(C)(C)O 7a_100000758997_100009888830 [0,1,0,0,0,0|2,0,1]=4 1604 B12R0.119 C=CCCCOCCCS(=O)(=O)C 34a_100000689940_100000757094 [0,1,0,0,0,0|2,0,1]=4 1605 B12R0.119 C=CCCCOCCCS(=O)(=O)C 34a_100000758997_100000754308 [0,1,0,0,0,0|2,0,1]=4 1606 B12R0.119 C=CCCCOCCCS(=O)(=O)C 7a_100000689940_100000757094 [0,1,0,0,0,0|2,0,1]=4 1607 B12R0.119 C=CCCCOCCCS(=O)(=O)C 7a_100000758997_100000754308 [0,1,0,0,0,0|2,0,1]=4 1608 B12R0.119 C=CCCCOCCCS(=O)(=O)N 34a_100000758997_100000750626 [0,1,0,0,0,0|2,0,1]=4 1609 B12R0.119 C=CCCCOCCCS(=O)(=O)N 7a_100000758997_100000750626 [0,1,0,0,0,0|2,0,1]=4 1610 B12R0.119 C=CCCCOCCCS(=O)(=O)[O-] 34a_100000758997_100009813499 [0,1,0,0,0,0|2,0,1]=4 1611 B12R0.119 C=CCCCSCCCC(C)(C)O 62a_100009888830_100000757094 [0,1,0,0,0,0|2,0,1]=4 1612 B12R0.119 C=CCCCSCCCC(C)(C)O 62a_100011713584_100009888830 [0,1,0,0,0,0|2,0,1]=4 1613 B12R0.119 C=CCCCSCCCS(=O)(=O)C 62a_100000754308_100000757094 [0,1,0,0,0,0|2,0,1]=4 1614 B12R0.119 C=CCCCSCCCS(=O)(=O)C 62a_100011713584_100000754308 [0,1,0,0,0,0|2,0,1]=4 1615 B12R0.119 C=CCCCSCCCS(=O)(=O)N 62a_100000750626_100000757094 [0,1,0,0,0,0|2,0,1]=4 1616 B12R0.119 C=CCCCSCCCS(=O)(=O)N 62a_100011713584_100000750626 [0,1,0,0,0,0|2,0,1]=4 1617 B12R0.119 C=CCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000757094 [0,1,0,0,0,0|2,0,1]=4 1618 B12R0.119 C=CCCCSCCCS(=O)(=O)[O-] 62a_100011713584_100009813499 [0,1,0,0,0,0|2,0,1]=4 1619 B12R0.119 C=CCNCCCCCC(C)(C)O 2230a_100020586998_100010402123 [0,1,0,0,0,0|2,0,1]=4 1620 B12R0.119 C=CCOCCCCCC(C)(C)O 34a_200000210373_100010402123 [0,1,0,0,0,0|2,0,1]=4 1621 B12R0.119 C=CCSCCCCCC(C)(C)O 62a_100000210623_100010402123 [0,1,0,0,0,0|2,0,1]=4 1622 B12R0.119 C=CCSCCCCCC(C)(C)O 62a_100010402123_100000210623 [0,1,0,0,0,0|2,0,1]=4 1623 B12R0.184 C=CC(=O)CCCCCCB(O)O 1458a_100000185746_100009817187 [0,1,0,0,0,0|1,0,2]=4 1624 B12R0.184 C=CC(=O)CCCCCOC(=O)C 1458a_100000185746_100000033007 [0,1,0,0,0,0|2,0,1]=4 1625 B12R0.184 C=CC(=O)NCCCCCC(=O)C 1458a_100011222493_200000210301 [0,1,0,0,0,0|2,0,1]=4 1626 B12R0.184 C=CC(=O)NCCCCCC(=O)[13CH3] 1458a_100011222493_200025704644 [0,1,0,0,0,0|2,0,1]=4 1627 B12R0.184 C=CC(C)COCCCCB(O)O 34a_100011215527_200009817182 [0,1,0,0,0,0|2,0,1]=4 1628 B12R0.184 C=CC(C)COCCCCB(O)O 7a_100011215527_200009817182 [0,1,0,0,0,0|2,0,1]=4 1629 B12R0.184 C=CC(C)COCCCCC(=O)C 34a_100011215527_100009817362 [0,1,0,0,0,0|2,0,0]=3 1630 B12R0.184 C=CC(C)COCCCCC(=O)C 7a_100011215527_100000735457 [0,1,0,0,0,0|2,0,0]=3 1631 B12R0.184 C=CC(C)COCCCOC(=O)C 34a_100011215527_100000042594 [0,1,0,0,0,0|3,0,0]=4 1632 B12R0.184 C=CC(C)COCCCOC(=O)C 7a_100011215527_100000042594 [0,1,0,0,0,0|3,0,0]=4 1633 B12R0.184 C=CC(C)COCCCSC(=O)C 34a_100011215527_100000038929 [0,1,0,0,0,0|3,0,0]=4 1634 B12R0.184 C=CC(C)COCCCSC(=O)C 7a_100011215527_100000038929 [0,1,0,0,0,0|3,0,0]=4 1635 B12R0.184 C=CC(C)COCCOCC(=O)N 34a_100011215527_100000076697 [0,1,0,0,0,0|3,0,0]=4 1636 B12R0.184 C=CC(C)COCCOCC(=O)N 7a_100011215527_100000076697 [0,1,0,0,0,0|3,0,0]=4 1637 B12R0.184 C=CC(C)OCCCCCB(O)O 34a_100000695699_200009817188 [0,1,0,0,0,0|2,0,1]=4 1638 B12R0.184 C=CC(C)OCCCCCC(=O)N 34a_100000695699_100009817443 [0,1,0,0,0,0|2,0,0]=3 1639 B12R0.184 C=CC(C)OCCCCOC(=O)C 34a_100000695699_100000033659 [0,1,0,0,0,0|3,0,0]=4 1640 B12R0.184 C=CC(C)OCCCCSC(=O)C 34a_100000695699_200010402107 [0,1,0,0,0,0|3,0,0]=4 1641 B12R0.184 C=CC(C)SCCCCCB(O)O 62a_100011215867_200009817188 [0,1,0,0,0,0|2,0,1]=4 1642 B12R0.184 C=CC(C)SCCCCCC(=O)N 62a_100011215867_100009817443 [0,1,0,0,0,0|2,0,0]=3 1643 B12R0.184 C=CC(C)SCCCCOC(=O)C 62a_100011215867_100000033659 [0,1,0,0,0,0|3,0,0]=4 1644 B12R0.184 C=CC(C)SCCCCSC(=O)C 62a_100011215867_200010402107 [0,1,0,0,0,0|3,0,0]=4 1645 B12R0.184 C=CC(O)CNCCCCC(=O)N 34a_100000696515_100000730141 [0,1,0,0,0,0|2,0,0]=3 1646 B12R0.184 C=CC(O)CNCCCNC(=O)C 34a_100000736810_100000730141 [0,1,0,0,0,0|3,0,0]=4 1647 B12R0.184 C=CC(O)CNCCOCC(=O)O 269956a_100000700818_100000730141 [0,1,0,0,0,0|2,0,0]=3 1648 B12R0.184 C=CC(O)COCCCCC(=O)N 34a_100012022536_100000730141 [0,1,0,0,0,0|2,0,0]=3 1649 B12R0.184 C=CC(O)COCCCCC(=O)N 7a_100012022536_100000730141 [0,1,0,0,0,0|2,0,0]=3 1650 B12R0.184 C=CC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100000730141 [0,1,0,0,0,0|2,0,1]=4 1651 B12R0.184 C=CC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100000730141 [0,1,0,0,0,0|2,0,1]=4 1652 B12R0.184 C=CC(O)COCCCNC(=O)C 34a_100000752032_100000730141 [0,1,0,0,0,0|3,0,0]=4 1653 B12R0.184 C=CC(O)CSCCCCB(O)O 62a_100000730141_200009817182 [0,1,0,0,0,0|2,0,1]=4 1654 B12R0.184 C=CC(O)CSCCCCB(O)O 62a_200009817182_100000730141 [0,1,0,0,0,0|2,0,1]=4 1655 B12R0.184 C=CC(O)CSCCCCC(=O)C 62a_100000730141_100000735457 [0,1,0,0,0,0|2,0,0]=3 1656 B12R0.184 C=CC(O)CSCCCCC(=O)C 62a_100000735457_100000730141 [0,1,0,0,0,0|2,0,0]=3 1657 B12R0.184 C=CC(O)CSCCCOC(=O)C 62a_100000042594_100000730141 [0,1,0,0,0,0|3,0,0]=4 1658 B12R0.184 C=CC(O)CSCCCOC(=O)C 62a_100000730141_100000042594 [0,1,0,0,0,0|3,0,0]=4 1659 B12R0.184 C=CC(O)CSCCCSC(=O)C 62a_100000038929_100000730141 [0,1,0,0,0,0|3,0,0]=4 1660 B12R0.184 C=CC(O)CSCCCSC(=O)C 62a_100000730141_100000038929 [0,1,0,0,0,0|3,0,0]=4 1661 B12R0.184 C=CC(O)CSCCOCC(=O)N 62a_100000076697_100000730141 [0,1,0,0,0,0|3,0,0]=4 1662 B12R0.184 C=CC(O)CSCCOCC(=O)N 62a_100000730141_100000076697 [0,1,0,0,0,0|3,0,0]=4 1663 B12R0.184 C=C[C@H](N)COCCCCB(O)O 34a_100016989147_200009817182 [0,1,0,0,0,0|2,0,1]=4 1664 B12R0.184 C=C[C@H](N)COCCCCC(=O)C 34a_100016989147_100009817362 [0,1,0,0,0,0|2,0,0]=3 1665 B12R0.184 C=C[C@H](N)COCCCOC(=O)C 34a_100016989147_100000042594 [0,1,0,0,0,0|3,0,0]=4 1666 B12R0.184 C=C[C@H](N)COCCCSC(=O)C 34a_100016989147_100000038929 [0,1,0,0,0,0|3,0,0]=4 1667 B12R0.184 C=C[C@H](N)COCCOCC(=O)N 34a_100016989147_100000076697 [0,1,0,0,0,0|3,0,0]=4 1668 B12R0.233 C#CCCCN(C)CCCC(=O)O 269956a_100000719178_100011215417 [0,1,0,0,0,0|1,0,2]=4 1669 B12R0.233 C=CCCCC(=O)CCCC(=O)C 1458a_100000766728_100011215641 [0,1,0,0,0,0|1,0,1]=3 1670 B12R0.233 C=CCCCC(=O)CCCC(=O)N 1458a_100000766728_100102525003 [0,1,0,0,0,0|1,0,1]=3 1671 B12R0.233 C=CCCCC(=O)CCCC(C)O 1458a_100000766728_200000718107 [0,1,0,0,0,0|1,0,2]=4 1672 B12R0.233 C=CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000757094 [0,1,0,0,0,0|1,0,2]=4 1673 B12R0.233 C=CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000757094 [0,1,0,0,0,0|2,0,1]=4 1674 B12R0.233 C=CCCCC(=O)CCNC(=O)C 1458a_100000766728_100000189650 [0,1,0,0,0,0|2,0,1]=4 1675 B12R0.233 C=CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000757094 [0,1,0,0,0,0|2,0,1]=4 1676 B12R0.233 C=CCCCC(=O)CCNC(=O)N 1458a_100000766728_200000034859 [0,1,0,0,0,0|2,0,1]=4 1677 B12R0.233 C=CCCCC(=O)CCOC(=O)C 1458a_100000766728_100009814007 [0,1,0,0,0,0|2,0,1]=4 1678 B12R0.233 C=CCCCC(=O)CCOC(=O)N 1458a_100000766728_200011214921 [0,1,0,0,0,0|2,0,1]=4 1679 B12R0.233 C=CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000757094 [0,1,0,0,0,0|2,0,1]=4 1680 B12R0.233 C=CCCCC(=O)COCC(=O)N 1458a_100011219004_100000757094 [0,1,0,0,0,0|2,0,1]=4 1681 B12R0.233 C=CCCCC(=O)NCCC(=O)N 11a_100000740010_100000766728 [0,1,0,0,0,0|2,0,1]=4 1682 B12R0.233 C=CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000766728 [0,1,0,0,0,0|2,0,1]=4 1683 B12R0.233 C=CCCCC(=O)NCCC(=O)N 527a_100000740010_100000766728 [0,1,0,0,0,0|2,0,1]=4 1684 B12R0.233 C=CCCCN(C)CCCC(=O)O 269956a_100000719178_100011713584 [0,1,0,0,0,0|1,0,0]=2 1685 B12R0.233 C=CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000754431 [0,1,0,0,0,0|1,0,1]=3 1686 B12R0.233 C=CCSCC(=O)CCCC(=O)C 1458a_100000230395_100011215641 [0,1,0,0,0,0|2,0,1]=4 1687 B12R0.233 C=CCSCC(=O)CCCC(=O)N 1458a_100000230395_100102525003 [0,1,0,0,0,0|2,0,1]=4 1688 B12R0.233 C=COCCN(C)CCCC(=O)O 269956a_100000719178_100000039644 [0,1,0,0,0,0|2,0,0]=3 1689 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,1,0,0,0,0|1,0,2]=4 1690 B12R0.233 CN(CCCC#N)CCCC(=O)O 269956a_100000719178_100000687738 [0,1,0,0,0,0|2,0,1]=4 1691 B12R0.233 CN(CCCC=O)CCCC(=O)O 269956a_100000719178_200011292268 [0,1,0,0,0,0|2,0,0]=3 1692 B12R0.233 CN(CCCCF)CCCC(=O)O 269956a_100000719178_100000729493 [0,1,0,0,0,0|2,0,1]=4 1693 B12R0.233 CN(CCCCO)CCCC(=O)O 269956a_100000719178_100000210776 [0,1,0,0,0,0|2,0,1]=4 1694 B12R0.233 COCCCN(C)CCCC(=O)O 269956a_100000719178_100000740836 [0,1,0,0,0,0|2,0,1]=4 1695 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,1,0,0,0,0|1,0,2]=4 1696 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,1,0,0,0,0|1,0,2]=4 1697 B12R0.234 C#CCCCCCCNCC(=O)N 2230a_100000711301_100012276617 [0,1,0,0,0,0|1,0,2]=4 1698 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,1,0,0,0,0|0,0,2]=3 1699 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,1,0,0,0,0|1,0,2]=4 1700 B12R0.234 C#CCCCCCCOCC(=O)N 34a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 1701 B12R0.234 C#CCCCCCCOCC(=O)N 7a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 1702 B12R0.234 C#CCCCCCCOCC(=O)[O-] 34a_100011217361_100020667443 [0,1,0,0,0,0|0,0,3]=4 1703 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100000747473_100012276617 [0,1,0,0,0,0|1,0,2]=4 1704 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100012276617_100000747473 [0,1,0,0,0,0|1,0,2]=4 1705 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100012276617_100020667443 [0,1,0,0,0,0|0,0,3]=4 1706 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100020667443_100012276617 [0,1,0,0,0,0|0,0,3]=4 1707 B12R0.234 C#CCCCCCNOCC(=O)O 269956a_100000106656_100012094781 [0,1,0,0,0,0|1,0,2]=4 1708 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,1,0,0,0,0|1,0,2]=4 1709 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,1,0,0,0,0|1,0,2]=4 1710 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,1,0,0,0,0|1,0,2]=4 1711 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000757172_100012094781 [0,1,0,0,0,0|1,0,2]=4 1712 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000766912_100000731001 [0,1,0,0,0,0|1,0,2]=4 1713 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000757172_100012094781 [0,1,0,0,0,0|1,0,2]=4 1714 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000766912_100000744528 [0,1,0,0,0,0|1,0,2]=4 1715 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [0,1,0,0,0,0|1,0,2]=4 1716 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [0,1,0,0,0,0|1,0,2]=4 1717 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100000744528_100012094781 [0,1,0,0,0,0|1,0,2]=4 1718 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100012094781_100000744528 [0,1,0,0,0,0|1,0,2]=4 1719 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [0,1,0,0,0,0|1,0,2]=4 1720 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000706060_100102525003 [0,1,0,0,0,0|1,0,2]=4 1721 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000739312_100010269958 [0,1,0,0,0,0|1,0,2]=4 1722 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,1,0,0,0,0|1,0,2]=4 1723 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,1,0,0,0,0|1,0,2]=4 1724 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,1,0,0,0,0|1,0,2]=4 1725 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,1,0,0,0,0|1,0,2]=4 1726 B12R0.234 C#CCCCCOCCCC(=O)N 34a_100000766709_100102525003 [0,1,0,0,0,0|1,0,2]=4 1727 B12R0.234 C#CCCCCOCCCC(=O)N 7a_100000766709_100102525003 [0,1,0,0,0,0|1,0,2]=4 1728 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [0,1,0,0,0,0|1,0,2]=4 1729 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [0,1,0,0,0,0|1,0,2]=4 1730 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100010269958_100102525003 [0,1,0,0,0,0|1,0,2]=4 1731 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100102525003_100010269958 [0,1,0,0,0,0|1,0,2]=4 1732 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [0,1,0,0,0,0|1,0,2]=4 1733 B12R0.234 C#CCCCNCCCCC(=O)N 34a_100000696515_100000695029 [0,1,0,0,0,0|1,0,2]=4 1734 B12R0.234 C#CCCCNCCOCC(=O)O 269956a_100000700818_100011215417 [0,1,0,0,0,0|1,0,2]=4 1735 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,1,0,0,0,0|1,0,2]=4 1736 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,1,0,0,0,0|1,0,2]=4 1737 B12R0.234 C#CCCCOCCCCC(=O)N 34a_100012022536_100000695029 [0,1,0,0,0,0|1,0,2]=4 1738 B12R0.234 C#CCCCOCCCCC(=O)N 7a_100012022536_100011215417 [0,1,0,0,0,0|1,0,2]=4 1739 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [0,1,0,0,0,0|1,0,2]=4 1740 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [0,1,0,0,0,0|1,0,2]=4 1741 B12R0.234 C#CCCNCCCCCC(=O)N 34a_100000755551_100009817443 [0,1,0,0,0,0|1,0,2]=4 1742 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100000123541_100000688953 [0,1,0,0,0,0|1,0,2]=4 1743 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100011215631_100009817443 [0,1,0,0,0,0|1,0,2]=4 1744 B12R0.234 C#CCCOCCCCCC(=O)N 7a_100000123541_100000688953 [0,1,0,0,0,0|1,0,2]=4 1745 B12R0.234 C#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000688953 [0,1,0,0,0,0|0,0,3]=4 1746 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100000688953_100009817443 [0,1,0,0,0,0|1,0,2]=4 1747 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100009817443_100000688953 [0,1,0,0,0,0|1,0,2]=4 1748 B12R0.234 C/C=C/CCOCCCCB(O)O 34a_100016278192_200009817182 [0,1,0,0,0,0|2,0,1]=4 1749 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,1,0,0,0,0|2,0,0]=3 1750 B12R0.234 C/C=C/CCOCCCOC(=O)C 34a_100016278192_100000042594 [0,1,0,0,0,0|3,0,0]=4 1751 B12R0.234 C/C=C/CCOCCCSC(=O)C 34a_100016278192_100000038929 [0,1,0,0,0,0|3,0,0]=4 1752 B12R0.234 C/C=C/CCOCCOCC(=O)N 34a_100016278192_100000076697 [0,1,0,0,0,0|3,0,0]=4 1753 B12R0.234 C/C=C/CNCCCCNC(=O)C 34a_200011368371_100102629194 [0,1,0,0,0,0|3,0,0]=4 1754 B12R0.234 C/C=C/COCCCCCB(O)O 34a_100016270725_200009817188 [0,1,0,0,0,0|2,0,1]=4 1755 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100000123541_100102629194 [0,1,0,0,0,0|2,0,0]=3 1756 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100016270725_100009817443 [0,1,0,0,0,0|2,0,0]=3 1757 B12R0.234 C/C=C/COCCCCCC(=O)N 7a_100000123541_100102629194 [0,1,0,0,0,0|2,0,0]=3 1758 B12R0.234 C/C=C/COCCCCCC(=O)[O-] 7a_100102619762_100102629194 [0,1,0,0,0,0|1,0,1]=3 1759 B12R0.234 C/C=C/COCCCCOC(=O)C 34a_100000073216_100102629194 [0,1,0,0,0,0|3,0,0]=4 1760 B12R0.234 C/C=C/COCCCCOC(=O)C 34a_100016270725_100000033659 [0,1,0,0,0,0|3,0,0]=4 1761 B12R0.234 C/C=C/COCCCCOC(=O)C 7a_100000073216_100102629194 [0,1,0,0,0,0|3,0,0]=4 1762 B12R0.234 C/C=C/COCCCCSC(=O)C 34a_100016270725_200010402107 [0,1,0,0,0,0|3,0,0]=4 1763 B12R0.234 C/C=C/CSCCCCCB(O)O 62a_100102629194_200009817188 [0,1,0,0,0,0|2,0,1]=4 1764 B12R0.234 C/C=C/CSCCCCCB(O)O 62a_200009817188_100102629194 [0,1,0,0,0,0|2,0,1]=4 1765 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100009817443_100102629194 [0,1,0,0,0,0|2,0,0]=3 1766 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100102629194_100009817443 [0,1,0,0,0,0|2,0,0]=3 1767 B12R0.234 C/C=C/CSCCCCOC(=O)C 62a_100000033659_100102629194 [0,1,0,0,0,0|3,0,0]=4 1768 B12R0.234 C/C=C/CSCCCCOC(=O)C 62a_100102629194_100000033659 [0,1,0,0,0,0|3,0,0]=4 1769 B12R0.234 C/C=C/CSCCCCSC(=O)C 62a_100102629194_200010402107 [0,1,0,0,0,0|3,0,0]=4 1770 B12R0.234 C/C=C/CSCCCCSC(=O)C 62a_200010402107_100102629194 [0,1,0,0,0,0|3,0,0]=4 1771 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [0,1,0,0,0,0|3,0,0]=4 1772 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [0,1,0,0,0,0|3,0,0]=4 1773 B12R0.234 C=CCCC/C=C/COCC(=O)N 34a_200016268473_100000187820 [0,1,0,0,0,0|1,0,2]=4 1774 B12R0.234 C=CCCC/C=C/COCC(=O)N 7a_200016268473_100000187820 [0,1,0,0,0,0|1,0,2]=4 1775 B12R0.234 C=CCCC/C=C/COCC(=O)[O-] 34a_200016268473_100020667443 [0,1,0,0,0,0|0,0,3]=4 1776 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,1,0,0,0,0|1,0,0]=2 1777 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,1,0,0,0,0|1,0,0]=2 1778 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,1,0,0,0,0|1,0,0]=2 1779 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [0,1,0,0,0,0|3,0,0]=4 1780 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [0,1,0,0,0,0|3,0,0]=4 1781 B12R0.234 C=CCCCCCCCNC(C)C 2230a_100138425928_100012355270 [0,1,0,0,0,0|2,0,1]=4 1782 B12R0.234 C=CCCCCCCCNC(C)C 34a_100138425928_100012355270 [0,1,0,0,0,0|2,0,1]=4 1783 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [0,1,0,0,0,0|2,0,1]=4 1784 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [0,1,0,0,0,0|2,0,1]=4 1785 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [0,1,0,0,0,0|2,0,1]=4 1786 B12R0.234 C=CCCCCCCCSC(C)C 62a_100000210206_100012355270 [0,1,0,0,0,0|2,0,1]=4 1787 B12R0.234 C=CCCCCCCCSC(C)C 62a_100012355270_100000210206 [0,1,0,0,0,0|2,0,1]=4 1788 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [0,1,0,0,0,0|1,0,0]=2 1789 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,1,0,0,0,0|0,0,0]=1 1790 B12R0.234 C=CCCCCCCNCC(C)C 2230a_100000210953_100011215473 [0,1,0,0,0,0|2,0,1]=4 1791 B12R0.234 C=CCCCCCCNCC(C)C 34a_100000210953_100011215473 [0,1,0,0,0,0|2,0,1]=4 1792 B12R0.234 C=CCCCCCCNCC(C)O 2230a_100000210904_100011215473 [0,1,0,0,0,0|1,0,1]=3 1793 B12R0.234 C=CCCCCCCNCC(C)O 34a_100000210904_100011215473 [0,1,0,0,0,0|1,0,1]=3 1794 B12R0.234 C=CCCCCCCNCC(F)F 34a_100000765723_100011215473 [0,1,0,0,0,0|2,0,1]=4 1795 B12R0.234 C=CCCCCCCOCC(=C)C 34a_100000210245_100011215473 [0,1,0,0,0,0|2,0,0]=3 1796 B12R0.234 C=CCCCCCCOCC(=C)C 34a_200011216477_100000748629 [0,1,0,0,0,0|2,0,0]=3 1797 B12R0.234 C=CCCCCCCOCC(=C)C 7a_200011216477_100000748629 [0,1,0,0,0,0|2,0,0]=3 1798 B12R0.234 C=CCCCCCCOCC(=C)F 34a_200010262243_100011215473 [0,1,0,0,0,0|2,0,0]=3 1799 B12R0.234 C=CCCCCCCOCC(=C)F 34a_200011216477_100009893438 [0,1,0,0,0,0|2,0,0]=3 1800 B12R0.234 C=CCCCCCCOCC(=C)F 7a_200011216477_100000042424 [0,1,0,0,0,0|2,0,0]=3 1801 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,1,0,0,0,0|1,0,0]=2 1802 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,1,0,0,0,0|1,0,0]=2 1803 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,1,0,0,0,0|1,0,0]=2 1804 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,1,0,0,0,0|0,0,1]=2 1805 B12R0.234 C=CCCCCCCOCC(C)Br 34a_100012180447_100011215473 [0,1,0,0,0,0|2,0,1]=4 1806 B12R0.234 C=CCCCCCCOCC(C)C 34a_100000210257_100011215473 [0,1,0,0,0,0|2,0,1]=4 1807 B12R0.234 C=CCCCCCCOCC(C)C 34a_200011216477_100000210624 [0,1,0,0,0,0|2,0,1]=4 1808 B12R0.234 C=CCCCCCCOCC(C)C 7a_200011216477_100000210760 [0,1,0,0,0,0|2,0,1]=4 1809 B12R0.234 C=CCCCCCCOCC(C)F 34a_100015925927_100011215473 [0,1,0,0,0,0|2,0,1]=4 1810 B12R0.234 C=CCCCCCCOCC(C)O 34a_200011216477_100011218427 [0,1,0,0,0,0|1,0,1]=3 1811 B12R0.234 C=CCCCCCCOCC(C)O 7a_200011216477_100011218427 [0,1,0,0,0,0|1,0,1]=3 1812 B12R0.234 C=CCCCCCCOCC(F)F 34a_100000743014_100011215473 [0,1,0,0,0,0|2,0,1]=4 1813 B12R0.234 C=CCCCCCCOCC(F)F 34a_200011216477_100011934356 [0,1,0,0,0,0|2,0,1]=4 1814 B12R0.234 C=CCCCCCCOCC(F)F 7a_200011216477_100011934356 [0,1,0,0,0,0|2,0,1]=4 1815 B12R0.234 C=CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215473 [0,1,0,0,0,0|2,0,1]=4 1816 B12R0.234 C=CCCCCCCOC[C@@H](C)N 34a_100000737577_100011215473 [0,1,0,0,0,0|2,0,1]=4 1817 B12R0.234 C=CCCCCCCOC[C@@H](C)O 34a_200011216477_100009817552 [0,1,0,0,0,0|1,0,1]=3 1818 B12R0.234 C=CCCCCCCOC[C@@H](C)O 7a_200011216477_100009817552 [0,1,0,0,0,0|1,0,1]=3 1819 B12R0.234 C=CCCCCCCOC[N+](=O)[O-] 34a_200011216477_100000761209 [0,1,0,0,0,0|1,0,1]=3 1820 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100000748629_100011215473 [0,1,0,0,0,0|2,0,0]=3 1821 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100011215473_100000211660 [0,1,0,0,0,0|2,0,0]=3 1822 B12R0.234 C=CCCCCCCSCC(=C)F 62a_100000042424_100011215473 [0,1,0,0,0,0|2,0,0]=3 1823 B12R0.234 C=CCCCCCCSCC(=C)F 62a_100011215473_100000042424 [0,1,0,0,0,0|2,0,0]=3 1824 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [0,1,0,0,0,0|1,0,0]=2 1825 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [0,1,0,0,0,0|1,0,0]=2 1826 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [0,1,0,0,0,0|0,0,1]=2 1827 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [0,1,0,0,0,0|0,0,1]=2 1828 B12R0.234 C=CCCCCCCSCC(C)C 62a_100000210624_100011215473 [0,1,0,0,0,0|2,0,1]=4 1829 B12R0.234 C=CCCCCCCSCC(C)C 62a_100011215473_100000210760 [0,1,0,0,0,0|2,0,1]=4 1830 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011215473_100011218427 [0,1,0,0,0,0|1,0,1]=3 1831 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011218427_100011215473 [0,1,0,0,0,0|1,0,1]=3 1832 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011215473_100011934356 [0,1,0,0,0,0|2,0,1]=4 1833 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011934356_100011215473 [0,1,0,0,0,0|2,0,1]=4 1834 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100009817552_100011215473 [0,1,0,0,0,0|1,0,1]=3 1835 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100011215473_100009817552 [0,1,0,0,0,0|1,0,1]=3 1836 B12R0.234 C=CCCCCCCSC[N+](=O)[O-] 62a_100011215473_100000761209 [0,1,0,0,0,0|1,0,1]=3 1837 B12R0.234 C=CCCCCCNCC=C(C)C 34a_100000718196_100000700193 [0,1,0,0,0,0|2,0,1]=4 1838 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [0,1,0,0,0,0|1,0,1]=3 1839 B12R0.234 C=CCCCCCNOCC(=O)O 269956a_100000106656_100000700193 [0,1,0,0,0,0|1,0,0]=2 1840 B12R0.234 C=CCCCCCOCC=C(C)C 34a_100000753907_100000700193 [0,1,0,0,0,0|2,0,1]=4 1841 B12R0.234 C=CCCCCCOCC=C(C)C 34a_100011216702_100000761012 [0,1,0,0,0,0|2,0,1]=4 1842 B12R0.234 C=CCCCCCOCC=C(C)C 7a_100011216702_100000761012 [0,1,0,0,0,0|2,0,1]=4 1843 B12R0.234 C=CCCCCCOCCC(=C)Br 34a_100009813270_100000700193 [0,1,0,0,0,0|2,0,0]=3 1844 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100000764851_100000700193 [0,1,0,0,0,0|2,0,0]=3 1845 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100011216702_100000730704 [0,1,0,0,0,0|2,0,0]=3 1846 B12R0.234 C=CCCCCCOCCC(=C)C 7a_100011216702_100000730704 [0,1,0,0,0,0|2,0,0]=3 1847 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,1,0,0,0,0|1,0,0]=2 1848 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,1,0,0,0,0|1,0,0]=2 1849 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,1,0,0,0,0|1,0,0]=2 1850 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [0,1,0,0,0,0|1,0,0]=2 1851 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [0,1,0,0,0,0|1,0,0]=2 1852 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [0,1,0,0,0,0|1,0,0]=2 1853 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [0,1,0,0,0,0|1,0,0]=2 1854 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [0,1,0,0,0,0|2,0,1]=4 1855 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [0,1,0,0,0,0|2,0,1]=4 1856 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [0,1,0,0,0,0|2,0,1]=4 1857 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [0,1,0,0,0,0|2,0,1]=4 1858 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [0,1,0,0,0,0|2,0,1]=4 1859 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [0,1,0,0,0,0|1,0,1]=3 1860 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [0,1,0,0,0,0|1,0,1]=3 1861 B12R0.234 C=CCCCCCOCCC(F)F 34a_100103093639_100000700193 [0,1,0,0,0,0|2,0,1]=4 1862 B12R0.234 C=CCCCCCOCCN(C)C 7a_100011216702_100000755713 [0,1,0,0,0,0|3,0,0]=4 1863 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [0,1,0,0,0,0|2,0,1]=4 1864 B12R0.234 C=CCCCCCOCOC(=O)C 34a_100011216702_100009813279 [0,1,0,0,0,0|2,0,0]=3 1865 B12R0.234 C=CCCCCCSCC=C(C)C 62a_100000700193_100000761012 [0,1,0,0,0,0|2,0,1]=4 1866 B12R0.234 C=CCCCCCSCC=C(C)C 62a_100000761012_100000700193 [0,1,0,0,0,0|2,0,1]=4 1867 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000700193_100000730704 [0,1,0,0,0,0|2,0,0]=3 1868 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000730704_100000700193 [0,1,0,0,0,0|2,0,0]=3 1869 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,1,0,0,0,0|1,0,0]=2 1870 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,1,0,0,0,0|1,0,0]=2 1871 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [0,1,0,0,0,0|1,0,0]=2 1872 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [0,1,0,0,0,0|1,0,0]=2 1873 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [0,1,0,0,0,0|2,0,1]=4 1874 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [0,1,0,0,0,0|2,0,1]=4 1875 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [0,1,0,0,0,0|1,0,1]=3 1876 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [0,1,0,0,0,0|1,0,1]=3 1877 B12R0.234 C=CCCCCCSCCN(C)C 62a_100000700193_100000755713 [0,1,0,0,0,0|3,0,0]=4 1878 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000076356_100000700193 [0,1,0,0,0,0|2,0,0]=3 1879 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000700193_100000076356 [0,1,0,0,0,0|2,0,0]=3 1880 B12R0.234 C=CCCCCNCCC=C(C)C 2230a_100000703577_100011217483 [0,1,0,0,0,0|2,0,1]=4 1881 B12R0.234 C=CCCCCNCCC=C(C)C 34a_100000703577_100011217483 [0,1,0,0,0,0|2,0,1]=4 1882 B12R0.234 C=CCCCCNCCC=C(F)F 2230a_100000703577_200009816681 [0,1,0,0,0,0|2,0,1]=4 1883 B12R0.234 C=CCCCCNCCC=C(F)F 34a_100000703577_200009816681 [0,1,0,0,0,0|2,0,1]=4 1884 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,1,0,0,0,0|1,0,0]=2 1885 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [0,1,0,0,0,0|1,0,0]=2 1886 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [0,1,0,0,0,0|1,0,0]=2 1887 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [0,1,0,0,0,0|2,0,1]=4 1888 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [0,1,0,0,0,0|2,0,1]=4 1889 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [0,1,0,0,0,0|2,0,1]=4 1890 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [0,1,0,0,0,0|2,0,1]=4 1891 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [0,1,0,0,0,0|1,0,1]=3 1892 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [0,1,0,0,0,0|1,0,1]=3 1893 B12R0.234 C=CCCCCNCCCS(=O)C 2230a_200000753449_100011215482 [0,1,0,0,0,0|2,0,0]=3 1894 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000209853_100011215482 [0,1,0,0,0,0|2,0,0]=3 1895 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000703577_100000189650 [0,1,0,0,0,0|2,0,0]=3 1896 B12R0.234 C=CCCCCNCCNC(=O)N 2230a_100000703577_200000034859 [0,1,0,0,0,0|2,0,0]=3 1897 B12R0.234 C=CCCCCNCCNC(=O)N 34a_100020590234_100011215482 [0,1,0,0,0,0|2,0,0]=3 1898 B12R0.234 C=CCCCCNCCOC(=O)C 34a_100000703577_100009814007 [0,1,0,0,0,0|2,0,0]=3 1899 B12R0.234 C=CCCCCNCCOC(=O)N 34a_100000703577_200011214921 [0,1,0,0,0,0|2,0,0]=3 1900 B12R0.234 C=CCCCCOCCC=C(C)C 34a_100000766645_100011217483 [0,1,0,0,0,0|2,0,1]=4 1901 B12R0.234 C=CCCCCOCCC=C(C)C 7a_100000766645_100011217483 [0,1,0,0,0,0|2,0,1]=4 1902 B12R0.234 C=CCCCCOCCC=C(F)F 34a_100000766645_200009816681 [0,1,0,0,0,0|2,0,1]=4 1903 B12R0.234 C=CCCCCOCCC=C(F)F 7a_100000766645_200009816681 [0,1,0,0,0,0|2,0,1]=4 1904 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,1,0,0,0,0|1,0,0]=2 1905 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,1,0,0,0,0|1,0,0]=2 1906 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,1,0,0,0,0|1,0,0]=2 1907 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,1,0,0,0,0|1,0,0]=2 1908 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [0,1,0,0,0,0|1,0,0]=2 1909 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [0,1,0,0,0,0|1,0,0]=2 1910 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [0,1,0,0,0,0|2,0,1]=4 1911 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [0,1,0,0,0,0|2,0,1]=4 1912 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [0,1,0,0,0,0|2,0,1]=4 1913 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [0,1,0,0,0,0|2,0,1]=4 1914 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [0,1,0,0,0,0|1,0,1]=3 1915 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [0,1,0,0,0,0|1,0,1]=3 1916 B12R0.234 C=CCCCCOCCCN(C)C 7a_100000766645_100000757444 [0,1,0,0,0,0|3,0,0]=4 1917 B12R0.234 C=CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215482 [0,1,0,0,0,0|1,0,1]=3 1918 B12R0.234 C=CCCCCOCCNC(=O)C 34a_100000158858_100011215482 [0,1,0,0,0,0|2,0,0]=3 1919 B12R0.234 C=CCCCCOCCNC(=O)C 7a_100000766645_100000189650 [0,1,0,0,0,0|2,0,0]=3 1920 B12R0.234 C=CCCCCOCCNC(=O)N 34a_100000181757_100011215482 [0,1,0,0,0,0|2,0,0]=3 1921 B12R0.234 C=CCCCCOCCNC(=O)N 7a_100000766645_200000034859 [0,1,0,0,0,0|2,0,0]=3 1922 B12R0.234 C=CCCCCOCCOC(=O)C 34a_100000766645_100009814007 [0,1,0,0,0,0|2,0,0]=3 1923 B12R0.234 C=CCCCCOCCOC(=O)C 7a_100000766645_100009814007 [0,1,0,0,0,0|2,0,0]=3 1924 B12R0.234 C=CCCCCOCCOC(=O)N 34a_100000766645_200011214921 [0,1,0,0,0,0|2,0,0]=3 1925 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766645_200011214921 [0,1,0,0,0,0|2,0,0]=3 1926 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766696_100011215482 [0,1,0,0,0,0|2,0,0]=3 1927 B12R0.234 C=CCCCCSCCC=C(C)C 62a_100011215482_100011217483 [0,1,0,0,0,0|2,0,1]=4 1928 B12R0.234 C=CCCCCSCCC=C(C)C 62a_100011217483_100011215482 [0,1,0,0,0,0|2,0,1]=4 1929 B12R0.234 C=CCCCCSCCC=C(F)F 62a_100011215482_200009816681 [0,1,0,0,0,0|2,0,1]=4 1930 B12R0.234 C=CCCCCSCCC=C(F)F 62a_200009816681_100011215482 [0,1,0,0,0,0|2,0,1]=4 1931 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,1,0,0,0,0|1,0,0]=2 1932 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,1,0,0,0,0|1,0,0]=2 1933 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [0,1,0,0,0,0|1,0,0]=2 1934 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [0,1,0,0,0,0|1,0,0]=2 1935 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [0,1,0,0,0,0|2,0,1]=4 1936 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [0,1,0,0,0,0|2,0,1]=4 1937 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [0,1,0,0,0,0|1,0,1]=3 1938 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [0,1,0,0,0,0|1,0,1]=3 1939 B12R0.234 C=CCCCCSCCCN(C)C 62a_100011215482_100000757444 [0,1,0,0,0,0|3,0,0]=4 1940 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100000189650_100011215482 [0,1,0,0,0,0|2,0,0]=3 1941 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100011215482_100000189650 [0,1,0,0,0,0|2,0,0]=3 1942 B12R0.234 C=CCCCCSCCNC(=O)N 62a_100011215482_200000034859 [0,1,0,0,0,0|2,0,0]=3 1943 B12R0.234 C=CCCCCSCCNC(=O)N 62a_200000034859_100011215482 [0,1,0,0,0,0|2,0,0]=3 1944 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100009814007_100011215482 [0,1,0,0,0,0|2,0,0]=3 1945 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100011215482_100009814007 [0,1,0,0,0,0|2,0,0]=3 1946 B12R0.234 C=CCCCCSCCOC(=O)N 62a_100011215482_200011214921 [0,1,0,0,0,0|2,0,0]=3 1947 B12R0.234 C=CCCCCSCCOC(=O)N 62a_200011214921_100011215482 [0,1,0,0,0,0|2,0,0]=3 1948 B12R0.234 C=CCCCNCCCCB(O)O 2230a_100000700776_200009817182 [0,1,0,0,0,0|1,0,1]=3 1949 B12R0.234 C=CCCCNCCCCB(O)O 34a_100000700776_200009817182 [0,1,0,0,0,0|1,0,1]=3 1950 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,1,0,0,0,0|1,0,0]=2 1951 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [0,1,0,0,0,0|1,0,0]=2 1952 B12R0.234 C=CCCCNCCCCC(C)C 2230a_100000700776_100011216152 [0,1,0,0,0,0|2,0,1]=4 1953 B12R0.234 C=CCCCNCCCCC(C)C 34a_100000700776_100011216152 [0,1,0,0,0,0|2,0,1]=4 1954 B12R0.234 C=CCCCNCCCNC(=O)C 34a_100000736810_100000757094 [0,1,0,0,0,0|2,0,0]=3 1955 B12R0.234 C=CCCCNCCCOC(=O)C 34a_100000700776_100000042594 [0,1,0,0,0,0|2,0,0]=3 1956 B12R0.234 C=CCCCNCCCOC(=S)C 2230a_100000700776_200135323944 [0,1,0,0,0,0|2,1,0]=4 1957 B12R0.234 C=CCCCNCCCOC(=S)C 34a_100000700776_200135323944 [0,1,0,0,0,0|2,1,0]=4 1958 B12R0.234 C=CCCCNCCCSC(=O)C 2230a_100000700776_100000038929 [0,1,0,0,0,0|2,0,0]=3 1959 B12R0.234 C=CCCCNCCCSC(=O)C 34a_100000700776_100000038929 [0,1,0,0,0,0|2,0,0]=3 1960 B12R0.234 C=CCCCNCCOCC(=O)N 2230a_100000700776_100000076697 [0,1,0,0,0,0|2,0,0]=3 1961 B12R0.234 C=CCCCNCCOCC(=O)N 34a_100000700776_100000076697 [0,1,0,0,0,0|2,0,0]=3 1962 B12R0.234 C=CCCCNCCOCC(=O)O 269956a_100000700818_100011713584 [0,1,0,0,0,0|1,0,0]=2 1963 B12R0.234 C=CCCCOCCCCB(O)O 34a_100000758997_200009817182 [0,1,0,0,0,0|1,0,1]=3 1964 B12R0.234 C=CCCCOCCCCB(O)O 7a_100000758997_200009817182 [0,1,0,0,0,0|1,0,1]=3 1965 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,1,0,0,0,0|1,0,0]=2 1966 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,1,0,0,0,0|1,0,0]=2 1967 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [0,1,0,0,0,0|1,0,0]=2 1968 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [0,1,0,0,0,0|1,0,0]=2 1969 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [0,1,0,0,0,0|2,0,1]=4 1970 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [0,1,0,0,0,0|2,0,1]=4 1971 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [0,1,0,0,0,0|2,0,1]=4 1972 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [0,1,0,0,0,0|2,0,1]=4 1973 B12R0.234 C=CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757094 [0,1,0,0,0,0|1,0,1]=3 1974 B12R0.234 C=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757094 [0,1,0,0,0,0|1,0,1]=3 1975 B12R0.234 C=CCCCOCCCNC(=O)C 34a_100000752032_100000757094 [0,1,0,0,0,0|2,0,0]=3 1976 B12R0.234 C=CCCCOCCCOC(=O)C 34a_100000758997_100000042594 [0,1,0,0,0,0|2,0,0]=3 1977 B12R0.234 C=CCCCOCCCOC(=O)C 7a_100000758997_100000042594 [0,1,0,0,0,0|2,0,0]=3 1978 B12R0.234 C=CCCCOCCCOC(=S)C 34a_100000758997_200135323944 [0,1,0,0,0,0|2,1,0]=4 1979 B12R0.234 C=CCCCOCCCOC(=S)C 7a_100000758997_200135323944 [0,1,0,0,0,0|2,1,0]=4 1980 B12R0.234 C=CCCCOCCCSC(=O)C 34a_100000758997_100000038929 [0,1,0,0,0,0|2,0,0]=3 1981 B12R0.234 C=CCCCOCCCSC(=O)C 7a_100000758997_100000038929 [0,1,0,0,0,0|2,0,0]=3 1982 B12R0.234 C=CCCCOCCOCC(=O)N 34a_100000758997_100000076697 [0,1,0,0,0,0|2,0,0]=3 1983 B12R0.234 C=CCCCOCCOCC(=O)N 7a_100000758997_100000076697 [0,1,0,0,0,0|2,0,0]=3 1984 B12R0.234 C=CCCCSCCCCB(O)O 62a_100011713584_200009817182 [0,1,0,0,0,0|1,0,1]=3 1985 B12R0.234 C=CCCCSCCCCB(O)O 62a_200009817182_100000757094 [0,1,0,0,0,0|1,0,1]=3 1986 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,1,0,0,0,0|1,0,0]=2 1987 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,1,0,0,0,0|1,0,0]=2 1988 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011216152_100000757094 [0,1,0,0,0,0|2,0,1]=4 1989 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011713584_100011216152 [0,1,0,0,0,0|2,0,1]=4 1990 B12R0.234 C=CCCCSCCCCN(C)C 62a_100011713584_100000690147 [0,1,0,0,0,0|3,0,0]=4 1991 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100000042594_100000757094 [0,1,0,0,0,0|2,0,0]=3 1992 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100011713584_100000042594 [0,1,0,0,0,0|2,0,0]=3 1993 B12R0.234 C=CCCCSCCCOC(=S)C 62a_100011713584_200135323944 [0,1,0,0,0,0|2,1,0]=4 1994 B12R0.234 C=CCCCSCCCOC(=S)C 62a_200135323944_100000757094 [0,1,0,0,0,0|2,1,0]=4 1995 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100000038929_100000757094 [0,1,0,0,0,0|2,0,0]=3 1996 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100011713584_100000038929 [0,1,0,0,0,0|2,0,0]=3 1997 B12R0.234 C=CCCCSCCOCC(=O)N 62a_100000076697_100000757094 [0,1,0,0,0,0|2,0,0]=3 1998 B12R0.234 C=CCCCSCCOCC(=O)N 62a_100011713584_100000076697 [0,1,0,0,0,0|2,0,0]=3 1999 B12R0.234 C=CCCNCCCCCB(O)O 2230a_100015191253_200009817188 [0,1,0,0,0,0|1,0,1]=3 2000 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [0,1,0,0,0,0|1,0,0]=2 2001 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100011290863_100000754431 [0,1,0,0,0,0|2,0,1]=4 2002 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100015191253_100000210682 [0,1,0,0,0,0|2,0,1]=4 2003 B12R0.234 C=CCCNCCCCCC(C)C 34a_100011290863_100000754431 [0,1,0,0,0,0|2,0,1]=4 2004 B12R0.234 C=CCCNCCCCNC(=O)C 2230a_200011368371_100000754431 [0,1,0,0,0,0|2,0,0]=3 2005 B12R0.234 C=CCCNCCCCNC(=O)C 34a_200011368371_100000754431 [0,1,0,0,0,0|2,0,0]=3 2006 B12R0.234 C=CCCNCCCCSC(=O)C 2230a_100015191253_200010402107 [0,1,0,0,0,0|2,0,0]=3 2007 B12R0.234 C=CCCOCCCCCB(O)O 34a_100011205117_200009817188 [0,1,0,0,0,0|1,0,1]=3 2008 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [0,1,0,0,0,0|1,0,0]=2 2009 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [0,1,0,0,0,0|1,0,0]=2 2010 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [0,1,0,0,0,0|1,0,0]=2 2011 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [0,1,0,0,0,0|0,0,1]=2 2012 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011205117_100000210682 [0,1,0,0,0,0|2,0,1]=4 2013 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011995859_100000754431 [0,1,0,0,0,0|2,0,1]=4 2014 B12R0.234 C=CCCOCCCCCC(C)C 7a_100011995859_100000754431 [0,1,0,0,0,0|2,0,1]=4 2015 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100000073216_100000754431 [0,1,0,0,0,0|2,0,0]=3 2016 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100011205117_100000033659 [0,1,0,0,0,0|2,0,0]=3 2017 B12R0.234 C=CCCOCCCCOC(=O)C 7a_100000073216_100000754431 [0,1,0,0,0,0|2,0,0]=3 2018 B12R0.234 C=CCCOCCCCO[N+](=O)[O-] 34a_100011205117_100015694321 [0,1,0,0,0,0|2,0,1]=4 2019 B12R0.234 C=CCCOCCCCSC(=O)C 34a_100011205117_200010402107 [0,1,0,0,0,0|2,0,0]=3 2020 B12R0.234 C=CCCOCOCCOC(=O)C 34a_100011205117_100000076355 [0,1,0,0,0,0|3,0,0]=4 2021 B12R0.234 C=CCCSCCCCCB(O)O 62a_100000754431_200009817188 [0,1,0,0,0,0|1,0,1]=3 2022 B12R0.234 C=CCCSCCCCCB(O)O 62a_200009817188_100000754431 [0,1,0,0,0,0|1,0,1]=3 2023 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [0,1,0,0,0,0|1,0,0]=2 2024 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [0,1,0,0,0,0|1,0,0]=2 2025 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000210682_100000754431 [0,1,0,0,0,0|2,0,1]=4 2026 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000754431_100000210682 [0,1,0,0,0,0|2,0,1]=4 2027 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000033659_100000754431 [0,1,0,0,0,0|2,0,0]=3 2028 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000754431_100000033659 [0,1,0,0,0,0|2,0,0]=3 2029 B12R0.234 C=CCCSCCCCO[N+](=O)[O-] 62a_100000754431_100015694321 [0,1,0,0,0,0|2,0,1]=4 2030 B12R0.234 C=CCCSCCCCSC(=O)C 62a_100000754431_200010402107 [0,1,0,0,0,0|2,0,0]=3 2031 B12R0.234 C=CCCSCCCCSC(=O)C 62a_200010402107_100000754431 [0,1,0,0,0,0|2,0,0]=3 2032 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000076355_100000754431 [0,1,0,0,0,0|3,0,0]=4 2033 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000754431_100000076355 [0,1,0,0,0,0|3,0,0]=4 2034 B12R0.234 C=CCNCCCCCCB(O)O 2230a_100020586998_100009817187 [0,1,0,0,0,0|1,0,1]=3 2035 B12R0.234 C=CCNCCCCCCC(C)C 2230a_100000211014_100000210623 [0,1,0,0,0,0|2,0,1]=4 2036 B12R0.234 C=CCNCCCCCCC(C)C 34a_100000211014_100015514636 [0,1,0,0,0,0|2,0,1]=4 2037 B12R0.234 C=CCNCCCCCNC(=O)C 2230a_200012022750_100000210623 [0,1,0,0,0,0|2,0,0]=3 2038 B12R0.234 C=CCNCCCCCNC(=O)C 34a_200012022750_100015514636 [0,1,0,0,0,0|2,0,0]=3 2039 B12R0.234 C=CCNCCCCCOC(=O)C 2230a_100020586998_100009813381 [0,1,0,0,0,0|2,0,0]=3 2040 B12R0.234 C=CCNCCOCCOC(=O)C 2230a_100020586998_200000083610 [0,1,0,0,0,0|3,0,0]=4 2041 B12R0.234 C=CCOCCCCCCB(O)O 34a_200000210373_100009817187 [0,1,0,0,0,0|1,0,1]=3 2042 B12R0.234 C=CCOCCCCCOC(=O)C 34a_200000210373_100000033007 [0,1,0,0,0,0|2,0,0]=3 2043 B12R0.234 C=CCOCCOCCCC(=O)C 34a_100000037705_100000685027 [0,1,0,0,0,0|2,0,0]=3 2044 B12R0.234 C=CCOCCOCCCC(=O)C 7a_100000037705_100011215641 [0,1,0,0,0,0|2,0,0]=3 2045 B12R0.234 C=CCOCCOCCCC(=O)N 34a_100000037705_100102525003 [0,1,0,0,0,0|2,0,0]=3 2046 B12R0.234 C=CCOCCOCCCC(=O)N 7a_100000037705_100102525003 [0,1,0,0,0,0|2,0,0]=3 2047 B12R0.234 C=CCOCCOCCCC(C)O 34a_100000037705_200000718107 [0,1,0,0,0,0|2,0,1]=4 2048 B12R0.234 C=CCOCCOCCCC(C)O 7a_100000037705_200000718107 [0,1,0,0,0,0|2,0,1]=4 2049 B12R0.234 C=CCOCCOCCNC(=O)C 7a_100000037705_100000189650 [0,1,0,0,0,0|3,0,0]=4 2050 B12R0.234 C=CCOCCOCCNC(=O)N 7a_100000037705_200000034859 [0,1,0,0,0,0|3,0,0]=4 2051 B12R0.234 C=CCOCCOCCOC(=O)C 34a_100000037705_100009814007 [0,1,0,0,0,0|3,0,0]=4 2052 B12R0.234 C=CCOCCOCCOC(=O)C 34a_200000210373_200000083610 [0,1,0,0,0,0|3,0,0]=4 2053 B12R0.234 C=CCOCCOCCOC(=O)C 7a_100000037705_100009814007 [0,1,0,0,0,0|3,0,0]=4 2054 B12R0.234 C=CCOCCOCCOC(=O)N 34a_100000037705_200011214921 [0,1,0,0,0,0|3,0,0]=4 2055 B12R0.234 C=CCOCCOCCOC(=O)N 7a_100000037705_200011214921 [0,1,0,0,0,0|3,0,0]=4 2056 B12R0.234 C=CCSCCCCCCB(O)O 62a_100000210623_100009817187 [0,1,0,0,0,0|1,0,1]=3 2057 B12R0.234 C=CCSCCCCCCB(O)O 62a_100009817187_100000210623 [0,1,0,0,0,0|1,0,1]=3 2058 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000033007_100000210623 [0,1,0,0,0,0|2,0,0]=3 2059 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000210623_100000033007 [0,1,0,0,0,0|2,0,0]=3 2060 B12R0.234 C=CCSCCOCCOC(=O)C 62a_100000210623_200000083610 [0,1,0,0,0,0|3,0,0]=4 2061 B12R0.234 C=CCSCCOCCOC(=O)C 62a_200000083610_100000210623 [0,1,0,0,0,0|3,0,0]=4 2062 B12R0.234 C=COCCCCOCCC(=C)C 34a_100000031558_100000730704 [0,1,0,0,0,0|3,0,0]=4 2063 B12R0.234 C=COCCCCOCCC(=C)C 7a_100000031558_100000730704 [0,1,0,0,0,0|3,0,0]=4 2064 B12R0.234 C=COCCCCOCCC(=O)C 7a_100000031558_100000053229 [0,1,0,0,0,0|2,0,0]=3 2065 B12R0.234 C=COCCCCOCCC(=O)N 34a_100000031558_100000731001 [0,1,0,0,0,0|2,0,0]=3 2066 B12R0.234 C=COCCCCOCCC(=O)N 7a_100000031558_100000744528 [0,1,0,0,0,0|2,0,0]=3 2067 B12R0.234 C=COCCCCOCCC(C)O 34a_100000031558_100012276601 [0,1,0,0,0,0|2,0,1]=4 2068 B12R0.234 C=COCCCCOCCC(C)O 7a_100000031558_100012276601 [0,1,0,0,0,0|2,0,1]=4 2069 B12R0.234 C=COCCCCOCOC(=O)C 34a_100000031558_100009813279 [0,1,0,0,0,0|3,0,0]=4 2070 B12R0.234 C=COCCCNCCCC(=O)C 34a_100000210767_100000685027 [0,1,0,0,0,0|2,0,0]=3 2071 B12R0.234 C=COCCCNCCCC(=O)N 34a_100000210767_100102525003 [0,1,0,0,0,0|2,0,0]=3 2072 B12R0.234 C=COCCCNCCCC(C)O 2230a_100000210767_200000718107 [0,1,0,0,0,0|2,0,1]=4 2073 B12R0.234 C=COCCCNCCCC(C)O 34a_100000210767_200000718107 [0,1,0,0,0,0|2,0,1]=4 2074 B12R0.234 C=COCCCNCCNC(=O)C 2230a_100000210767_100000189650 [0,1,0,0,0,0|3,0,0]=4 2075 B12R0.234 C=COCCCNCCNC(=O)N 2230a_100000210767_200000034859 [0,1,0,0,0,0|3,0,0]=4 2076 B12R0.234 C=COCCCNCCOC(=O)C 34a_100000210767_100009814007 [0,1,0,0,0,0|3,0,0]=4 2077 B12R0.234 C=COCCCNCCOC(=O)N 34a_100000210767_200011214921 [0,1,0,0,0,0|3,0,0]=4 2078 B12R0.234 C=COCCNCCCCC(=O)N 34a_100000696515_100000039644 [0,1,0,0,0,0|2,0,0]=3 2079 B12R0.234 C=COCCNCCCNC(=O)C 34a_100000736810_100000039644 [0,1,0,0,0,0|3,0,0]=4 2080 B12R0.234 C=COCCNCCOCC(=O)O 269956a_100000700818_100000039644 [0,1,0,0,0,0|2,0,0]=3 2081 B12R0.234 C=COCCOCCCCB(O)O 34a_100000033082_200009817182 [0,1,0,0,0,0|2,0,1]=4 2082 B12R0.234 C=COCCOCCCCC(=O)C 34a_100000033082_100009817362 [0,1,0,0,0,0|2,0,0]=3 2083 B12R0.234 C=COCCOCCCCC(=O)N 34a_100012022536_100000039644 [0,1,0,0,0,0|2,0,0]=3 2084 B12R0.234 C=COCCOCCCCC(=O)N 7a_100012022536_100000039644 [0,1,0,0,0,0|2,0,0]=3 2085 B12R0.234 C=COCCOCCCC[N+](=O)[O-] 34a_200015379883_100000039644 [0,1,0,0,0,0|2,0,1]=4 2086 B12R0.234 C=COCCOCCCC[N+](=O)[O-] 7a_200015379883_100000039644 [0,1,0,0,0,0|2,0,1]=4 2087 B12R0.234 C=COCCOCCCNC(=O)C 34a_100000752032_100000039644 [0,1,0,0,0,0|3,0,0]=4 2088 B12R0.234 C=COCCOCCCOC(=O)C 34a_100000033082_100000042594 [0,1,0,0,0,0|3,0,0]=4 2089 B12R0.234 C=COCCOCCCSC(=O)C 34a_100000033082_100000038929 [0,1,0,0,0,0|3,0,0]=4 2090 B12R0.234 C=COCCOCCOCC(=O)N 34a_100000033082_100000076697 [0,1,0,0,0,0|3,0,0]=4 2091 B12R0.234 C=COCCOCCOCC(=O)N 34a_100000039918_100000187820 [0,1,0,0,0,0|3,0,0]=4 2092 B12R0.234 C=COCCOCCOCC(=O)N 7a_100000039918_100000187820 [0,1,0,0,0,0|3,0,0]=4 2093 B12R0.234 C=COCCOCCOCC(=O)[O-] 34a_100000039918_100020667443 [0,1,0,0,0,0|2,0,1]=4 2094 B12R0.234 C=COCCSCCCCB(O)O 62a_100000039644_200009817182 [0,1,0,0,0,0|2,0,1]=4 2095 B12R0.234 C=COCCSCCCCB(O)O 62a_200009817182_100000039644 [0,1,0,0,0,0|2,0,1]=4 2096 B12R0.234 C=COCCSCCCCC(=O)C 62a_100000039644_100000735457 [0,1,0,0,0,0|2,0,0]=3 2097 B12R0.234 C=COCCSCCCCC(=O)C 62a_100000735457_100000039644 [0,1,0,0,0,0|2,0,0]=3 2098 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000039644_100000042594 [0,1,0,0,0,0|3,0,0]=4 2099 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000042594_100000039644 [0,1,0,0,0,0|3,0,0]=4 2100 B12R0.234 C=COCCSCCCSC(=O)C 62a_100000038929_100000039644 [0,1,0,0,0,0|3,0,0]=4 2101 B12R0.234 C=COCCSCCCSC(=O)C 62a_100000039644_100000038929 [0,1,0,0,0,0|3,0,0]=4 2102 B12R0.234 C=COCCSCCOCC(=O)N 62a_100000039644_100000076697 [0,1,0,0,0,0|3,0,0]=4 2103 B12R0.234 C=COCCSCCOCC(=O)N 62a_100000076697_100000039644 [0,1,0,0,0,0|3,0,0]=4 2104 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,1,0,0,0,0|1,0,2]=4 2105 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,1,0,0,0,0|1,0,2]=4 2106 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,1,0,0,0,0|1,0,2]=4 2107 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,0,0,0,0|1,0,2]=4 2108 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,1]=4 2109 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,1,0,0,0,0|2,0,1]=4 2110 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,1,0,0,0,0|2,0,1]=4 2111 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,1,0,0,0,0|2,0,1]=4 2112 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,1,0,0,0,0|2,0,1]=4 2113 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,1,0,0,0,0|2,0,1]=4 2114 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,1,0,0,0,0|2,0,1]=4 2115 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,1]=4 2116 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [0,1,0,0,0,0|2,0,1]=4 2117 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [0,1,0,0,0,0|2,0,1]=4 2118 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [0,1,0,0,0,0|2,0,0]=3 2119 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [0,1,0,0,0,0|2,0,0]=3 2120 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,1,0,0,0,0|2,0,1]=4 2121 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,1,0,0,0,0|2,0,1]=4 2122 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,1,0,0,0,0|2,0,1]=4 2123 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,1,0,0,0,0|2,0,1]=4 2124 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,1]=4 2125 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,1,0,0,0,0|2,0,1]=4 2126 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,1,0,0,0,0|2,0,0]=3 2127 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,1,0,0,0,0|2,0,1]=4 2128 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,1,0,0,0,0|2,0,1]=4 2129 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,1,0,0,0,0|2,0,1]=4 2130 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,1,0,0,0,0|2,0,1]=4 2131 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,1,0,0,0,0|2,0,1]=4 2132 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,1,0,0,0,0|2,0,1]=4 2133 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,1,0,0,0,0|2,0,1]=4 2134 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,1,0,0,0,0|2,0,1]=4 2135 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,1]=4 2136 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,1,0,0,0,0|2,0,1]=4 2137 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,1,0,0,0,0|2,0,1]=4 2138 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [0,1,0,0,0,0|2,0,1]=4 2139 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [0,1,0,0,0,0|2,0,1]=4 2140 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [0,1,0,0,0,0|2,0,0]=3 2141 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [0,1,0,0,0,0|2,0,0]=3 2142 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,1,0,0,0,0|2,0,1]=4 2143 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,1,0,0,0,0|2,0,1]=4 2144 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,1,0,0,0,0|2,0,1]=4 2145 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,1,0,0,0,0|2,0,1]=4 2146 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,1,0,0,0,0|2,0,1]=4 2147 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,1,0,0,0,0|2,0,0]=3 2148 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,1,0,0,0,0|2,0,1]=4 2149 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,1,0,0,0,0|2,0,1]=4 2150 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,1,0,0,0,0|2,0,1]=4 2151 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,1,0,0,0,0|2,0,1]=4 2152 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,1,0,0,0,0|2,0,1]=4 2153 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,1,0,0,0,0|2,0,1]=4 2154 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,1,0,0,0,0|2,0,1]=4 2155 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [0,1,0,0,0,0|2,0,1]=4 2156 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [0,1,0,0,0,0|2,0,1]=4 2157 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [0,1,0,0,0,0|2,0,0]=3 2158 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [0,1,0,0,0,0|2,0,0]=3 2159 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,1,0,0,0,0|2,0,1]=4 2160 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,1,0,0,0,0|2,0,1]=4 2161 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,1,0,0,0,0|2,0,1]=4 2162 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,1,0,0,0,0|2,0,1]=4 2163 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,1,0,0,0,0|2,0,1]=4 2164 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,1,0,0,0,0|2,0,1]=4 2165 B12R0.234 CC(=O)NCCCCCNCC=O 2230a_200012022750_200015260668 [0,1,0,0,0,0|3,0,0]=4 2166 B12R0.234 CC(=O)NCCCCCNCC=O 34a_200012022750_200009817547 [0,1,0,0,0,0|3,0,0]=4 2167 B12R0.234 CC(=O)NCCNCCCCC=O 2230a_100000209853_100000139335 [0,1,0,0,0,0|3,0,0]=4 2168 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000139335_100000189650 [0,1,0,0,0,0|3,0,0]=4 2169 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000189650_100000139335 [0,1,0,0,0,0|3,0,0]=4 2170 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [0,1,0,0,0,0|3,0,0]=4 2171 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [0,1,0,0,0,0|3,0,0]=4 2172 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [0,1,0,0,0,0|3,0,0]=4 2173 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [0,1,0,0,0,0|3,0,0]=4 2174 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [0,1,0,0,0,0|3,0,0]=4 2175 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [0,1,0,0,0,0|3,0,0]=4 2176 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [0,1,0,0,0,0|3,0,0]=4 2177 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [0,1,0,0,0,0|3,0,0]=4 2178 B12R0.234 CC(=O)SCCCSCCCC=O 62a_100000038929_200011292268 [0,1,0,0,0,0|3,0,0]=4 2179 B12R0.234 CC(=O)SCCCSCCCC=O 62a_200011292268_100000038929 [0,1,0,0,0,0|3,0,0]=4 2180 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [0,1,0,0,0,0|2,0,1]=4 2181 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [0,1,0,0,0,0|2,0,1]=4 2182 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [0,1,0,0,0,0|2,0,1]=4 2183 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [0,1,0,0,0,0|2,0,1]=4 2184 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [0,1,0,0,0,0|2,0,1]=4 2185 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,1,0,0,0,0|2,0,0]=3 2186 B12R0.234 CC=CCCCOCCCC(=O)N 34a_100020645299_100102525003 [0,1,0,0,0,0|2,0,0]=3 2187 B12R0.234 CC=CCCCOCCCC(C)O 34a_100020645299_200000718107 [0,1,0,0,0,0|2,0,1]=4 2188 B12R0.234 CC=CCCCOCCOC(=O)C 34a_100020645299_100009814007 [0,1,0,0,0,0|3,0,0]=4 2189 B12R0.234 CC=CCCCOCCOC(=O)N 34a_100020645299_200011214921 [0,1,0,0,0,0|3,0,0]=4 2190 B12R0.234 CC=CCNCCCCNC(=O)C 2230a_200011368371_100000070051 [0,1,0,0,0,0|3,0,0]=4 2191 B12R0.234 CC=CCNCCCCNC(=O)C 34a_200011368371_100000070051 [0,1,0,0,0,0|3,0,0]=4 2192 B12R0.234 CC=CCOCCCCCC(=O)N 34a_100000123541_100000070051 [0,1,0,0,0,0|2,0,0]=3 2193 B12R0.234 CC=CCOCCCCCC(=O)N 7a_100000123541_100000070051 [0,1,0,0,0,0|2,0,0]=3 2194 B12R0.234 CC=CCOCCCCCC(=O)[O-] 7a_100102619762_100000070051 [0,1,0,0,0,0|1,0,1]=3 2195 B12R0.234 CC=CCOCCCCOC(=O)C 34a_100000073216_100000070051 [0,1,0,0,0,0|3,0,0]=4 2196 B12R0.234 CC=CCOCCCCOC(=O)C 7a_100000073216_100000070051 [0,1,0,0,0,0|3,0,0]=4 2197 B12R0.234 CC=CCSCCCCCB(O)O 62a_100000070051_200009817188 [0,1,0,0,0,0|2,0,1]=4 2198 B12R0.234 CC=CCSCCCCCB(O)O 62a_200009817188_100000070051 [0,1,0,0,0,0|2,0,1]=4 2199 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100000070051_100009817443 [0,1,0,0,0,0|2,0,0]=3 2200 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100009817443_100000070051 [0,1,0,0,0,0|2,0,0]=3 2201 B12R0.234 CC=CCSCCCCOC(=O)C 62a_100000033659_100000070051 [0,1,0,0,0,0|3,0,0]=4 2202 B12R0.234 CC=CCSCCCCOC(=O)C 62a_100000070051_100000033659 [0,1,0,0,0,0|3,0,0]=4 2203 B12R0.234 CC=CCSCCCCSC(=O)C 62a_100000070051_200010402107 [0,1,0,0,0,0|3,0,0]=4 2204 B12R0.234 CC=CCSCCCCSC(=O)C 62a_200010402107_100000070051 [0,1,0,0,0,0|3,0,0]=4 2205 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,0,0,0,0|1,0,2]=4 2206 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,0,0,0,0|1,0,2]=4 2207 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,0,0,0,0|1,0,2]=4 2208 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 2209 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 2210 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,1,0,0,0,0|1,0,2]=4 2211 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,1,0,0,0,0|1,0,2]=4 2212 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,1,0,0,0,0|1,0,2]=4 2213 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,1,0,0,0,0|1,0,2]=4 2214 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,1,0,0,0,0|1,0,2]=4 2215 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,0,0,0,0|0,0,2]=3 2216 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,1,0,0,0,0|0,0,3]=4 2217 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,1,0,0,0,0|1,0,2]=4 2218 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,1,0,0,0,0|1,0,2]=4 2219 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,1,0,0,0,0|1,0,2]=4 2220 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,1,0,0,0,0|1,0,2]=4 2221 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,1,0,0,0,0|1,0,2]=4 2222 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,1,0,0,0,0|0,0,3]=4 2223 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,1,0,0,0,0|1,0,2]=4 2224 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,1,0,0,0,0|1,0,2]=4 2225 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,1,0,0,0,0|0,0,3]=4 2226 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,1,0,0,0,0|0,0,3]=4 2227 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,1,0,0,0,0|1,0,2]=4 2228 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,1,0,0,0,0|1,0,2]=4 2229 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,0,0,0,0|1,0,2]=4 2230 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,0,0,0,0|1,0,2]=4 2231 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,0,0,0,0|1,0,2]=4 2232 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,1,0,0,0,0|1,0,2]=4 2233 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,1,0,0,0,0|1,0,2]=4 2234 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,1,0,0,0,0|1,0,2]=4 2235 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,1,0,0,0,0|1,0,2]=4 2236 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,1,0,0,0,0|1,0,2]=4 2237 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,1,0,0,0,0|1,0,2]=4 2238 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,1,0,0,0,0|1,0,2]=4 2239 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,1,0,0,0,0|1,0,2]=4 2240 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,1,0,0,0,0|1,0,2]=4 2241 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,1,0,0,0,0|1,0,2]=4 2242 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,1,0,0,0,0|1,0,2]=4 2243 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,1,0,0,0,0|1,0,2]=4 2244 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,1,0,0,0,0|1,0,2]=4 2245 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,1,0,0,0,0|1,0,2]=4 2246 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,1,0,0,0,0|1,0,2]=4 2247 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,1,0,0,0,0|1,0,2]=4 2248 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,1,0,0,0,0|1,0,2]=4 2249 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,1,0,0,0,0|1,0,2]=4 2250 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,1,0,0,0,0|1,0,2]=4 2251 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,1,0,0,0,0|1,0,2]=4 2252 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,1,0,0,0,0|1,0,2]=4 2253 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,1,0,0,0,0|1,0,2]=4 2254 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,1,0,0,0,0|1,0,2]=4 2255 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,1,0,0,0,0|1,0,2]=4 2256 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,1,0,0,0,0|1,0,2]=4 2257 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,1,0,0,0,0|1,0,2]=4 2258 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,1,0,0,0,0|1,0,2]=4 2259 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,1,0,0,0,0|1,0,2]=4 2260 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,1,0,0,0,0|1,0,2]=4 2261 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,1,0,0,0,0|1,0,2]=4 2262 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,1,0,0,0,0|1,0,2]=4 2263 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,1,0,0,0,0|1,0,2]=4 2264 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,1,0,0,0,0|1,0,2]=4 2265 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,1,0,0,0,0|0,0,3]=4 2266 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,1,0,0,0,0|1,0,2]=4 2267 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,1,0,0,0,0|1,0,2]=4 2268 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,1,0,0,0,0|2,0,1]=4 2269 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,1,0,0,0,0|2,0,1]=4 2270 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,1,0,0,0,0|2,0,1]=4 2271 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,1,0,0,0,0|1,0,1]=3 2272 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,1,0,0,0,0|2,0,1]=4 2273 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,1,0,0,0,0|2,0,1]=4 2274 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,1,0,0,0,0|2,0,1]=4 2275 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,1,0,0,0,0|1,0,2]=4 2276 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,1,0,0,0,0|2,0,1]=4 2277 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,1,0,0,0,0|2,0,1]=4 2278 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,1,0,0,0,0|1,0,2]=4 2279 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,1,0,0,0,0|1,0,2]=4 2280 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,1,0,0,0,0|2,0,1]=4 2281 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,1,0,0,0,0|2,0,1]=4 2282 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,1,0,0,0,0|2,0,1]=4 2283 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,1,0,0,0,0|2,0,1]=4 2284 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,1,0,0,0,0|2,0,1]=4 2285 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,1,0,0,0,0|2,0,1]=4 2286 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,1,0,0,0,0|2,0,1]=4 2287 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,1,0,0,0,0|2,0,1]=4 2288 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,1,0,0,0,0|2,0,1]=4 2289 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,1,0,0,0,0|2,0,1]=4 2290 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,1,0,0,0,0|2,0,1]=4 2291 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,1,0,0,0,0|2,0,1]=4 2292 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,1,0,0,0,0|2,0,1]=4 2293 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,1,0,0,0,0|2,0,1]=4 2294 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,1,0,0,0,0|2,0,1]=4 2295 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,1,0,0,0,0|2,0,1]=4 2296 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,1,0,0,0,0|2,0,1]=4 2297 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,1,0,0,0,0|2,0,1]=4 2298 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,1,0,0,0,0|2,0,1]=4 2299 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,1,0,0,0,0|2,0,1]=4 2300 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,1,0,0,0,0|2,0,1]=4 2301 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,1,0,0,0,0|2,0,1]=4 2302 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,1,0,0,0,0|2,0,1]=4 2303 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,1,0,0,0,0|1,0,2]=4 2304 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,1,0,0,0,0|2,0,1]=4 2305 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,1,0,0,0,0|2,0,1]=4 2306 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,1,0,0,0,0|2,0,1]=4 2307 B12R0.234 CS(=O)CCCNCCCCC=O 2230a_200000753449_100000139335 [0,1,0,0,0,0|3,0,0]=4 2308 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,1,0,0,0,0|2,0,1]=4 2309 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,1,0,0,0,0|2,0,1]=4 2310 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,1,0,0,0,0|2,0,1]=4 2311 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,1,0,0,0,0|2,0,1]=4 2312 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,1,0,0,0,0|2,0,1]=4 2313 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,1,0,0,0,0|2,0,1]=4 2314 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,1,0,0,0,0|2,0,1]=4 2315 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,1,0,0,0,0|2,0,1]=4 2316 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,1,0,0,0,0|2,0,1]=4 2317 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,1,0,0,0,0|2,0,1]=4 2318 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,1,0,0,0,0|2,0,1]=4 2319 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,1,0,0,0,0|1,0,2]=4 2320 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,1,0,0,0,0|2,0,1]=4 2321 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,1,0,0,0,0|2,0,1]=4 2322 B12R0.234 N#CCCCCCCNCC(=O)N 2230a_100000711301_100009813337 [0,1,0,0,0,0|2,0,1]=4 2323 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,1,0,0,0,0|1,0,1]=3 2324 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100000747473_100009813337 [0,1,0,0,0,0|2,0,1]=4 2325 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100009813337_100000747473 [0,1,0,0,0,0|2,0,1]=4 2326 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100009813337_100020667443 [0,1,0,0,0,0|1,0,2]=4 2327 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100020667443_100009813337 [0,1,0,0,0,0|1,0,2]=4 2328 B12R0.234 N#CCCCCCNOCC(=O)O 269956a_100000106656_100009813376 [0,1,0,0,0,0|2,0,1]=4 2329 B12R0.234 N#CCCCCCOCCC(=O)N 7a_100000757172_100009813376 [0,1,0,0,0,0|2,0,1]=4 2330 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100000744528_100009813376 [0,1,0,0,0,0|2,0,1]=4 2331 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100009813376_100000744528 [0,1,0,0,0,0|2,0,1]=4 2332 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100011219923_100102525003 [0,1,0,0,0,0|2,0,1]=4 2333 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100102525003_100000211819 [0,1,0,0,0,0|2,0,1]=4 2334 B12R0.234 N#CCCCNCCOCC(=O)O 269956a_100000700818_100000687738 [0,1,0,0,0,0|2,0,1]=4 2335 B12R0.234 N#CCCCOCCCCC(=O)N 7a_100012022536_100000687738 [0,1,0,0,0,0|2,0,1]=4 2336 B12R0.234 N#CCCOCCCCCC(=O)N 7a_100000123541_100000184422 [0,1,0,0,0,0|2,0,1]=4 2337 B12R0.234 N#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000184422 [0,1,0,0,0,0|1,0,2]=4 2338 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100009817443_100011215226 [0,1,0,0,0,0|2,0,1]=4 2339 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100011215226_100009817443 [0,1,0,0,0,0|2,0,1]=4 2340 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,1,0,0,0,0|2,0,1]=4 2341 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,1,0,0,0,0|2,0,1]=4 2342 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,1,0,0,0,0|2,0,1]=4 2343 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,1,0,0,0,0|2,0,1]=4 2344 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,1,0,0,0,0|2,0,1]=4 2345 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,1,0,0,0,0|2,0,1]=4 2346 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,1,0,0,0,0|2,0,1]=4 2347 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,1,0,0,0,0|2,0,1]=4 2348 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,1,0,0,0,0|2,0,1]=4 2349 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,1,0,0,0,0|2,0,1]=4 2350 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,1,0,0,0,0|2,0,1]=4 2351 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,1,0,0,0,0|2,0,1]=4 2352 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,1,0,0,0,0|2,0,1]=4 2353 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,1,0,0,0,0|2,0,1]=4 2354 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,1,0,0,0,0|2,0,1]=4 2355 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [0,1,0,0,0,0|2,0,0]=3 2356 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,1,0,0,0,0|2,0,1]=4 2357 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,1,0,0,0,0|2,0,1]=4 2358 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,1,0,0,0,0|2,0,1]=4 2359 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,1,0,0,0,0|2,0,1]=4 2360 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,1,0,0,0,0|2,0,1]=4 2361 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,1,0,0,0,0|2,0,1]=4 2362 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,1]=4 2363 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,1,0,0,0,0|2,0,1]=4 2364 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,1,0,0,0,0|2,0,1]=4 2365 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,1,0,0,0,0|2,0,1]=4 2366 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,1,0,0,0,0|2,0,1]=4 2367 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,1,0,0,0,0|2,0,1]=4 2368 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,1,0,0,0,0|2,0,1]=4 2369 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [0,1,0,0,0,0|2,0,0]=3 2370 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [0,1,0,0,0,0|2,0,0]=3 2371 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,1,0,0,0,0|2,0,1]=4 2372 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,1,0,0,0,0|2,0,1]=4 2373 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,1,0,0,0,0|2,0,1]=4 2374 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,1,0,0,0,0|2,0,1]=4 2375 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,1,0,0,0,0|2,0,1]=4 2376 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,1]=4 2377 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [0,1,0,0,0,0|2,0,0]=3 2378 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,1,0,0,0,0|2,0,1]=4 2379 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,1,0,0,0,0|2,0,1]=4 2380 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,1,0,0,0,0|2,0,1]=4 2381 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,1,0,0,0,0|2,0,1]=4 2382 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,1,0,0,0,0|2,0,1]=4 2383 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,1,0,0,0,0|2,0,1]=4 2384 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,1,0,0,0,0|2,0,1]=4 2385 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,1,0,0,0,0|2,0,1]=4 2386 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,1,0,0,0,0|2,0,1]=4 2387 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,1,0,0,0,0|2,0,1]=4 2388 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [0,1,0,0,0,0|2,0,0]=3 2389 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [0,1,0,0,0,0|2,0,0]=3 2390 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,1,0,0,0,0|2,0,1]=4 2391 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,1,0,0,0,0|2,0,1]=4 2392 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,1,0,0,0,0|2,0,1]=4 2393 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,1,0,0,0,0|2,0,1]=4 2394 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,1,0,0,0,0|2,0,1]=4 2395 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,1,0,0,0,0|2,0,1]=4 2396 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,1]=4 2397 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,1,0,0,0,0|2,0,1]=4 2398 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,1,0,0,0,0|2,0,1]=4 2399 B12R0.234 NC(=O)COCCSCCCC=O 62a_100000076697_200011292268 [0,1,0,0,0,0|3,0,0]=4 2400 B12R0.234 NC(=O)COCCSCCCC=O 62a_200011292268_100000076697 [0,1,0,0,0,0|3,0,0]=4 2401 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,1,0,0,0,0|2,0,1]=4 2402 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,1,0,0,0,0|2,0,1]=4 2403 B12R0.234 NC(=O)NCCSCCCCC=O 62a_100000139335_200000034859 [0,1,0,0,0,0|3,0,0]=4 2404 B12R0.234 NC(=O)NCCSCCCCC=O 62a_200000034859_100000139335 [0,1,0,0,0,0|3,0,0]=4 2405 B12R0.234 NC(=O)OCCOCCCCC=O 7a_100000766696_100000139335 [0,1,0,0,0,0|3,0,0]=4 2406 B12R0.234 NC(=O)OCCSCCCCC=O 62a_100000139335_200011214921 [0,1,0,0,0,0|3,0,0]=4 2407 B12R0.234 NC(=O)OCCSCCCCC=O 62a_200011214921_100000139335 [0,1,0,0,0,0|3,0,0]=4 2408 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,1]=4 2409 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,1,0,0,0,0|1,0,2]=4 2410 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,1]=4 2411 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,1]=4 2412 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,1,0,0,0,0|2,0,1]=4 2413 B12R0.234 NOCCOCCCCCC(=O)N 34a_100000700252_100009817443 [0,1,0,0,0,0|3,0,0]=4 2414 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,1,0,0,0,0|1,0,1]=3 2415 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,1,0,0,0,0|2,0,1]=4 2416 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,1,0,0,0,0|2,0,1]=4 2417 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,1,0,0,0,0|2,0,1]=4 2418 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,1,0,0,0,0|2,0,1]=4 2419 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,1,0,0,0,0|1,0,2]=4 2420 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,1,0,0,0,0|1,0,2]=4 2421 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,1,0,0,0,0|1,0,2]=4 2422 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,1,0,0,0,0|1,0,2]=4 2423 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,1,0,0,0,0|1,0,2]=4 2424 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,1,0,0,0,0|1,0,2]=4 2425 B12R0.234 O=CCCCCCNOCC(=O)O 269956a_100000106656_100000139337 [0,1,0,0,0,0|2,0,0]=3 2426 B12R0.234 O=CCCCNCCOCC(=O)O 269956a_100000700818_200011292268 [0,1,0,0,0,0|2,0,0]=3 2427 B12R0.234 O=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_200011292268 [0,1,0,0,0,0|2,0,1]=4 2428 B12R0.234 O=CCCCSCCCCB(O)O 62a_200009817182_200011292268 [0,1,0,0,0,0|2,0,1]=4 2429 B12R0.234 O=CCCCSCCCCB(O)O 62a_200011292268_200009817182 [0,1,0,0,0,0|2,0,1]=4 2430 B12R0.234 O=CCSCCCCCCB(O)O 62a_100009817187_200015260668 [0,1,0,0,0,0|2,0,1]=4 2431 B12R0.234 O=CCSCCCCCCB(O)O 62a_200015260668_100009817187 [0,1,0,0,0,0|2,0,1]=4 2432 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,1,0,0,0,0|1,0,2]=4 2433 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [0,1,0,0,0,0|1,0,0]=2 2434 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,1,0,0,0,0|1,0,2]=4 2435 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,1,0,0,0,0|2,0,1]=4 2436 B12R0.248 C#CC(O)CCCCCNCC=C 2230a_100020586998_200010408556 [0,1,0,0,0,0|2,0,1]=4 2437 B12R0.248 C#CC(O)CCCCCOCC=C 34a_200000210373_200010408556 [0,1,0,0,0,0|2,0,1]=4 2438 B12R0.248 C#CC(O)CCCCCSCC=C 62a_100000210623_200010408556 [0,1,0,0,0,0|2,0,1]=4 2439 B12R0.248 C#CC(O)CCCCCSCC=C 62a_200010408556_100000210623 [0,1,0,0,0,0|2,0,1]=4 2440 B12R0.248 C#CCCCCCCCC(=O)C#C 1458a_100000211873_100153394163 [0,1,0,0,0,0|1,0,2]=4 2441 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,1,0,0,0,0|1,0,2]=4 2442 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,1,0,0,0,0|1,0,2]=4 2443 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,1,0,0,0,0|1,0,2]=4 2444 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [0,1,0,0,0,0|1,0,2]=4 2445 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,1,0,0,0,0|0,0,2]=3 2446 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [0,1,0,0,0,0|1,0,2]=4 2447 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [0,1,0,0,0,0|1,0,2]=4 2448 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [0,1,0,0,0,0|1,0,2]=4 2449 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [0,1,0,0,0,0|1,0,2]=4 2450 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [0,1,0,0,0,0|1,0,2]=4 2451 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [0,1,0,0,0,0|1,0,2]=4 2452 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100000747449_100012094781 [0,1,0,0,0,0|1,0,2]=4 2453 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100012094781_100000747449 [0,1,0,0,0,0|1,0,2]=4 2454 B12R0.248 C#CCCCCNCCC(=O)OC 2230a_100000706060_100000204255 [0,1,0,0,0,0|1,0,2]=4 2455 B12R0.248 C#CCCCCNCCC(=O)OC 34a_100000706060_100000742370 [0,1,0,0,0,0|1,0,2]=4 2456 B12R0.248 C#CCCCCOCCC(=O)OC 34a_100000766709_100000742370 [0,1,0,0,0,0|1,0,2]=4 2457 B12R0.248 C#CCCCCOCCC(=O)OC 7a_100000766709_100000204255 [0,1,0,0,0,0|1,0,2]=4 2458 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100000204255_100010269958 [0,1,0,0,0,0|1,0,2]=4 2459 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100010269958_100000204255 [0,1,0,0,0,0|1,0,2]=4 2460 B12R0.248 C#CCCCNCCCC(=O)OC 34a_100000718082_100000742333 [0,1,0,0,0,0|1,0,2]=4 2461 B12R0.248 C#CCCCOCCCC(=O)OC 34a_100000215630_100000742333 [0,1,0,0,0,0|1,0,2]=4 2462 B12R0.248 C#CCCCOCCCC(=O)OC 7a_100000215630_100011218270 [0,1,0,0,0,0|1,0,2]=4 2463 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011215417_100011218270 [0,1,0,0,0,0|1,0,2]=4 2464 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011218270_100011215417 [0,1,0,0,0,0|1,0,2]=4 2465 B12R0.248 C#CCCNCCCCC(=O)OC 34a_100000755551_100000204269 [0,1,0,0,0,0|1,0,2]=4 2466 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100000059025_100000688953 [0,1,0,0,0,0|1,0,2]=4 2467 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100011215631_100000204269 [0,1,0,0,0,0|1,0,2]=4 2468 B12R0.248 C#CCCOCCCCC(=O)OC 7a_100000059025_100000688953 [0,1,0,0,0,0|1,0,2]=4 2469 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000204269_100000688953 [0,1,0,0,0,0|1,0,2]=4 2470 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000688953_100000204269 [0,1,0,0,0,0|1,0,2]=4 2471 B12R0.248 C#CCNCCCCCC(=O)OC 34a_100000212058_100009816466 [0,1,0,0,0,0|1,0,2]=4 2472 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000074720_100000184674 [0,1,0,0,0,0|1,0,2]=4 2473 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000210247_100009816466 [0,1,0,0,0,0|1,0,2]=4 2474 B12R0.248 C#CCOCCCCCC(=O)OC 7a_100000074720_100000038162 [0,1,0,0,0,0|1,0,2]=4 2475 B12R0.248 C#CCSCCCCCC(=O)OC 62a_100000038162_100009816466 [0,1,0,0,0,0|1,0,2]=4 2476 B12R0.248 C/C=C/CCOCCCC(=O)OC 34a_100016278192_100000742333 [0,1,0,0,0,0|1,0,2]=4 2477 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100000059025_100102629194 [0,1,0,0,0,0|1,0,2]=4 2478 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100016270725_100000204269 [0,1,0,0,0,0|1,0,2]=4 2479 B12R0.248 C/C=C/COCCCCC(=O)OC 7a_100000059025_100102629194 [0,1,0,0,0,0|1,0,2]=4 2480 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100000204269_100102629194 [0,1,0,0,0,0|1,0,2]=4 2481 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100102629194_100000204269 [0,1,0,0,0,0|1,0,2]=4 2482 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|1,0,2]=4 2483 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,1,0,0,0,0|2,0,1]=4 2484 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,1,0,0,0,0|1,0,0]=2 2485 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,1,0,0,0,0|1,0,0]=2 2486 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,1,0,0,0,0|1,0,0]=2 2487 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,1,0,0,0,0|1,0,0]=2 2488 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,1,0,0,0,0|0,0,0]=1 2489 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,1,0,0,0,0|1,0,0]=2 2490 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,1,0,0,0,0|1,0,0]=2 2491 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,1,0,0,0,0|1,0,0]=2 2492 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,1,0,0,0,0|1,0,0]=2 2493 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [0,1,0,0,0,0|3,0,0]=4 2494 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [0,1,0,0,0,0|3,0,0]=4 2495 B12R0.248 C=CCCCCCCN[C@H](C)CO 2230a_100000737577_100011215473 [0,1,0,0,0,0|2,0,1]=4 2496 B12R0.248 C=CCCCCCCOC(C)CO 34a_200011216477_100012180447 [0,1,0,0,0,0|2,0,1]=4 2497 B12R0.248 C=CCCCCCCOC(C)CO 7a_200011216477_100012180447 [0,1,0,0,0,0|2,0,1]=4 2498 B12R0.248 C=CCCCCCCSC(C)CO 62a_100012180447_100011215473 [0,1,0,0,0,0|2,0,1]=4 2499 B12R0.248 C=CCCCCCCSC(C)OC 62a_100009879195_100011215473 [0,1,0,0,0,0|2,0,1]=4 2500 B12R0.248 C=CCCCCCCSC(C)OC 62a_100011215473_100009879195 [0,1,0,0,0,0|2,0,1]=4 2501 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100011215473_100016084084 [0,1,0,0,0,0|2,0,1]=4 2502 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100016084084_100011215473 [0,1,0,0,0,0|2,0,1]=4 2503 B12R0.248 C=CCCCCCNCC(=O)NC 2230a_100000693194_100000700193 [0,1,0,0,0,0|2,0,0]=3 2504 B12R0.248 C=CCCCCCNCC(C)CO 34a_100000744482_100000700193 [0,1,0,0,0,0|2,0,1]=4 2505 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [0,1,0,0,0,0|2,0,1]=4 2506 B12R0.248 C=CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000700193 [0,1,0,0,0,0|2,0,1]=4 2507 B12R0.248 C=CCCCCCNC[C@@H](F)CO 34a_100015665980_100000700193 [0,1,0,0,0,0|2,0,1]=4 2508 B12R0.248 C=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000700193 [0,1,0,0,0,0|1,0,2]=4 2509 B12R0.248 C=CCCCCCOCC(=C)C#N 34a_100011216702_100000694840 [0,1,0,0,0,0|3,0,0]=4 2510 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [0,1,0,0,0,0|2,0,0]=3 2511 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [0,1,0,0,0,0|2,0,0]=3 2512 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100000750040_100000700193 [0,1,0,0,0,0|2,0,0]=3 2513 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100011216702_100000183359 [0,1,0,0,0,0|2,0,0]=3 2514 B12R0.248 C=CCCCCCOCC(=O)NC 7a_100011216702_100000183359 [0,1,0,0,0,0|2,0,0]=3 2515 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [0,1,0,0,0,0|1,0,0]=2 2516 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [0,1,0,0,0,0|1,0,0]=2 2517 B12R0.248 C=CCCCCCOCC(C)OC 34a_100000690652_100000700193 [0,1,0,0,0,0|2,0,1]=4 2518 B12R0.248 C=CCCCCCOCC(O)C=C 34a_100011216702_100000730141 [0,1,0,0,0,0|2,0,1]=4 2519 B12R0.248 C=CCCCCCOCC(O)C=C 7a_100011216702_100000730141 [0,1,0,0,0,0|2,0,1]=4 2520 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [0,1,0,0,0,0|2,0,1]=4 2521 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [0,1,0,0,0,0|2,0,1]=4 2522 B12R0.248 C=CCCCCCOCC(O)CO 34a_100011216702_100011219619 [0,1,0,0,0,0|1,0,2]=4 2523 B12R0.248 C=CCCCCCOCC(O)CO 7a_100011216702_100011219619 [0,1,0,0,0,0|1,0,2]=4 2524 B12R0.248 C=CCCCCCOC[C@@H](C)CO 34a_100011216702_100000059175 [0,1,0,0,0,0|2,0,1]=4 2525 B12R0.248 C=CCCCCCOC[C@@H](C)CO 7a_100011216702_100000059175 [0,1,0,0,0,0|2,0,1]=4 2526 B12R0.248 C=CCCCCCOC[C@@H](O)CF 34a_100011216702_100015614560 [0,1,0,0,0,0|2,0,1]=4 2527 B12R0.248 C=CCCCCCOC[C@@H](O)CF 7a_100011216702_100015614560 [0,1,0,0,0,0|2,0,1]=4 2528 B12R0.248 C=CCCCCCOC[C@@H](O)CO 34a_100011216702_100009815848 [0,1,0,0,0,0|1,0,2]=4 2529 B12R0.248 C=CCCCCCOC[C@@H](O)CO 7a_100011216702_100009815848 [0,1,0,0,0,0|1,0,2]=4 2530 B12R0.248 C=CCCCCCSCC(=C)C#N 62a_100000700193_100000694840 [0,1,0,0,0,0|3,0,0]=4 2531 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000700193_100000747405 [0,1,0,0,0,0|2,0,0]=3 2532 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000747405_100000700193 [0,1,0,0,0,0|2,0,0]=3 2533 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000183359_100000700193 [0,1,0,0,0,0|2,0,0]=3 2534 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000700193_100000183359 [0,1,0,0,0,0|2,0,0]=3 2535 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [0,1,0,0,0,0|1,0,0]=2 2536 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [0,1,0,0,0,0|1,0,0]=2 2537 B12R0.248 C=CCCCCCSCC(O)C=C 62a_100000700193_100000730141 [0,1,0,0,0,0|2,0,1]=4 2538 B12R0.248 C=CCCCCCSCC(O)C=C 62a_100000730141_100000700193 [0,1,0,0,0,0|2,0,1]=4 2539 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [0,1,0,0,0,0|2,0,1]=4 2540 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [0,1,0,0,0,0|2,0,1]=4 2541 B12R0.248 C=CCCCCCSCC(O)CO 62a_100000700193_100011219619 [0,1,0,0,0,0|1,0,2]=4 2542 B12R0.248 C=CCCCCCSCC(O)CO 62a_100011219619_100000700193 [0,1,0,0,0,0|1,0,2]=4 2543 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000059175_100000700193 [0,1,0,0,0,0|2,0,1]=4 2544 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000700193_100000059175 [0,1,0,0,0,0|2,0,1]=4 2545 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100000700193_100015614560 [0,1,0,0,0,0|2,0,1]=4 2546 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000700193 [0,1,0,0,0,0|2,0,1]=4 2547 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100000700193_100009815848 [0,1,0,0,0,0|1,0,2]=4 2548 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000700193 [0,1,0,0,0,0|1,0,2]=4 2549 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000703577_100000737683 [0,1,0,0,0,0|2,0,0]=3 2550 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000738227_100011215482 [0,1,0,0,0,0|2,0,0]=3 2551 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000703577_100012179268 [0,1,0,0,0,0|2,0,0]=3 2552 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000738227_100011215482 [0,1,0,0,0,0|2,0,0]=3 2553 B12R0.248 C=CCCCCNCCC(=O)OC 2230a_100000703577_100000204255 [0,1,0,0,0,0|1,0,0]=2 2554 B12R0.248 C=CCCCCNCCC(=O)OC 34a_100000703577_100000742370 [0,1,0,0,0,0|1,0,0]=2 2555 B12R0.248 C=CCCCCNCCC(C)CO 2230a_106354213184_100011215482 [0,1,0,0,0,0|2,0,1]=4 2556 B12R0.248 C=CCCCCNCCC(C)CO 34a_106354213184_100011215482 [0,1,0,0,0,0|2,0,1]=4 2557 B12R0.248 C=CCCCCOCCC(=NO)N 34a_100000749954_100011215482 [0,1,0,0,0,0|2,0,0]=3 2558 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000754576_100011215482 [0,1,0,0,0,0|2,0,0]=3 2559 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000766645_100012179268 [0,1,0,0,0,0|2,0,0]=3 2560 B12R0.248 C=CCCCCOCCC(=O)NC 7a_100000766645_100000737683 [0,1,0,0,0,0|2,0,0]=3 2561 B12R0.248 C=CCCCCOCCC(=O)OC 34a_100000766645_100000742370 [0,1,0,0,0,0|1,0,0]=2 2562 B12R0.248 C=CCCCCOCCC(=O)OC 7a_100000766645_100000204255 [0,1,0,0,0,0|1,0,0]=2 2563 B12R0.248 C=CCCCCOCCC(C)OC 7a_100000764861_100011215482 [0,1,0,0,0,0|2,0,1]=4 2564 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100000737683_100011215482 [0,1,0,0,0,0|2,0,0]=3 2565 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100011215482_100000737683 [0,1,0,0,0,0|2,0,0]=3 2566 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100000204255_100011215482 [0,1,0,0,0,0|1,0,0]=2 2567 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100011215482_100000204255 [0,1,0,0,0,0|1,0,0]=2 2568 B12R0.248 C=CCCCCSCOC(=O)OC 62a_100011215482_100000139417 [0,1,0,0,0,0|2,0,0]=3 2569 B12R0.248 C=CCCCNC/C=C/C(=O)OC 2230a_100000700776_100000742655 [0,1,0,0,0,0|1,0,2]=4 2570 B12R0.248 C=CCCCNC/C=C/C(=O)OC 34a_100000700776_100000742655 [0,1,0,0,0,0|1,0,2]=4 2571 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000700776_100000741757 [0,1,0,0,0,0|2,0,0]=3 2572 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000740002_100011713584 [0,1,0,0,0,0|2,0,0]=3 2573 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000700776_100000741757 [0,1,0,0,0,0|2,0,0]=3 2574 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000740002_100000757094 [0,1,0,0,0,0|2,0,0]=3 2575 B12R0.248 C=CCCCNCCCC(=O)OC 2230a_100000700776_100011218270 [0,1,0,0,0,0|1,0,0]=2 2576 B12R0.248 C=CCCCNCCCC(=O)OC 34a_100000700776_100000742333 [0,1,0,0,0,0|1,0,0]=2 2577 B12R0.248 C=CCCCNCCNC(=O)C=C 2230a_114873766552_100011713584 [0,1,0,0,0,0|3,0,0]=4 2578 B12R0.248 C=CCCCNCCNC(=O)CC 34a_100132302217_100000757094 [0,1,0,0,0,0|3,0,0]=4 2579 B12R0.248 C=CCCCNCCNC(=O)NC 34a_100015205895_100000757094 [0,1,0,0,0,0|3,0,0]=4 2580 B12R0.248 C=CCCCNCCOC(=O)C=C 2230a_100000700776_100009813456 [0,1,0,0,0,0|3,0,0]=4 2581 B12R0.248 C=CCCCNCCOC(=O)C=C 34a_100000700776_100009813456 [0,1,0,0,0,0|3,0,0]=4 2582 B12R0.248 C=CCCCNCCOC(=O)NC 34a_100000700776_200011997002 [0,1,0,0,0,0|3,0,0]=4 2583 B12R0.248 C=CCCCOC/C=C/C(=O)OC 34a_100000758997_100000742655 [0,1,0,0,0,0|1,0,2]=4 2584 B12R0.248 C=CCCCOC/C=C/C(=O)OC 7a_100000758997_100000742655 [0,1,0,0,0,0|1,0,2]=4 2585 B12R0.248 C=CCCCOCCCC(=O)NC 34a_100000758997_100000741757 [0,1,0,0,0,0|2,0,0]=3 2586 B12R0.248 C=CCCCOCCCC(=O)NC 7a_100000758997_100000741757 [0,1,0,0,0,0|2,0,0]=3 2587 B12R0.248 C=CCCCOCCCC(=O)NN 34a_100000211488_100000757094 [0,1,0,0,0,0|2,0,0]=3 2588 B12R0.248 C=CCCCOCCCC(=O)OC 34a_100000758997_100000742333 [0,1,0,0,0,0|1,0,0]=2 2589 B12R0.248 C=CCCCOCCCC(=O)OC 7a_100000758997_100011218270 [0,1,0,0,0,0|1,0,0]=2 2590 B12R0.248 C=CCCCOCCNC(=O)C=C 34a_100011304386_100000757094 [0,1,0,0,0,0|3,0,0]=4 2591 B12R0.248 C=CCCCOCCNC(=O)CC 34a_200000158885_100000757094 [0,1,0,0,0,0|3,0,0]=4 2592 B12R0.248 C=CCCCOCCNC(=O)CC 7a_200000158885_100000757094 [0,1,0,0,0,0|3,0,0]=4 2593 B12R0.248 C=CCCCOCCNC(=O)OC 34a_100000757965_100000757094 [0,1,0,0,0,0|2,0,0]=3 2594 B12R0.248 C=CCCCOCCOC(=O)C=C 34a_100000758997_100009813456 [0,1,0,0,0,0|3,0,0]=4 2595 B12R0.248 C=CCCCOCCOC(=O)C=C 7a_100000758997_100009813456 [0,1,0,0,0,0|3,0,0]=4 2596 B12R0.248 C=CCCCOCCOC(=O)CC 7a_200000031056_100000757094 [0,1,0,0,0,0|3,0,0]=4 2597 B12R0.248 C=CCCCOCCOC(=O)NC 34a_100000758997_200011997002 [0,1,0,0,0,0|3,0,0]=4 2598 B12R0.248 C=CCCCOCCOC(=O)NC 7a_100000758997_200011997002 [0,1,0,0,0,0|3,0,0]=4 2599 B12R0.248 C=CCCCOCCOC(=O)OC 34a_100010262106_100000757094 [0,1,0,0,0,0|2,0,0]=3 2600 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100000742655_100000757094 [0,1,0,0,0,0|1,0,2]=4 2601 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100011713584_100000742655 [0,1,0,0,0,0|1,0,2]=4 2602 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100000741757_100000757094 [0,1,0,0,0,0|2,0,0]=3 2603 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100011713584_100000741757 [0,1,0,0,0,0|2,0,0]=3 2604 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011218270_100000757094 [0,1,0,0,0,0|1,0,0]=2 2605 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011713584_100011218270 [0,1,0,0,0,0|1,0,0]=2 2606 B12R0.248 C=CCCCSCCOC(=O)C=C 62a_100009813456_100000757094 [0,1,0,0,0,0|3,0,0]=4 2607 B12R0.248 C=CCCCSCCOC(=O)C=C 62a_100011713584_100009813456 [0,1,0,0,0,0|3,0,0]=4 2608 B12R0.248 C=CCCCSCCOC(=O)NC 62a_100011713584_200011997002 [0,1,0,0,0,0|3,0,0]=4 2609 B12R0.248 C=CCCCSCCOC(=O)NC 62a_200011997002_100000757094 [0,1,0,0,0,0|3,0,0]=4 2610 B12R0.248 C=CCCNCCCCC(=O)OC 2230a_100015191253_100000204269 [0,1,0,0,0,0|1,0,0]=2 2611 B12R0.248 C=CCCNCCOCC(=O)OC 2230a_100015191253_100000090808 [0,1,0,0,0,0|2,0,0]=3 2612 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100000059025_100000754431 [0,1,0,0,0,0|1,0,0]=2 2613 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100011205117_100000204269 [0,1,0,0,0,0|1,0,0]=2 2614 B12R0.248 C=CCCOCCCCC(=O)OC 7a_100000059025_100000754431 [0,1,0,0,0,0|1,0,0]=2 2615 B12R0.248 C=CCCOCCOCC(=O)OC 34a_100011205117_100000090808 [0,1,0,0,0,0|2,0,0]=3 2616 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000204269_100000754431 [0,1,0,0,0,0|1,0,0]=2 2617 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000754431_100000204269 [0,1,0,0,0,0|1,0,0]=2 2618 B12R0.248 C=CCCSCCOCC(=O)OC 62a_100000090808_100000754431 [0,1,0,0,0,0|2,0,0]=3 2619 B12R0.248 C=CCCSCCOCC(=O)OC 62a_100000754431_100000090808 [0,1,0,0,0,0|2,0,0]=3 2620 B12R0.248 C=CCNCCCCCC(=O)OC 2230a_100020586998_100009816466 [0,1,0,0,0,0|1,0,0]=2 2621 B12R0.248 C=CCOCCCCCC(=O)OC 34a_100000074720_100015514636 [0,1,0,0,0,0|1,0,0]=2 2622 B12R0.248 C=CCOCCCCCC(=O)OC 34a_200000210373_100009816466 [0,1,0,0,0,0|1,0,0]=2 2623 B12R0.248 C=CCOCCCCCC(=O)OC 7a_100000074720_100015514636 [0,1,0,0,0,0|1,0,0]=2 2624 B12R0.248 C=CCOCCCCNC(=O)C=C 34a_100014118770_100015514636 [0,1,0,0,0,0|3,0,0]=4 2625 B12R0.248 C=CCOCCOCCC(=O)NC 34a_100000037705_100012179268 [0,1,0,0,0,0|3,0,0]=4 2626 B12R0.248 C=CCOCCOCCC(=O)NC 7a_100000037705_100000737683 [0,1,0,0,0,0|3,0,0]=4 2627 B12R0.248 C=CCOCCOCCC(=O)OC 34a_100000037705_100000742370 [0,1,0,0,0,0|2,0,0]=3 2628 B12R0.248 C=CCOCCOCCC(=O)OC 7a_100000037705_100000204255 [0,1,0,0,0,0|2,0,0]=3 2629 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100000210623_100009816466 [0,1,0,0,0,0|1,0,0]=2 2630 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100009816466_100000210623 [0,1,0,0,0,0|1,0,0]=2 2631 B12R0.248 C=COCCCCOCC(=O)CC 7a_100000031558_100000747405 [0,1,0,0,0,0|3,0,0]=4 2632 B12R0.248 C=COCCCCOCC(=O)NC 34a_100000031558_100000183359 [0,1,0,0,0,0|3,0,0]=4 2633 B12R0.248 C=COCCCCOCC(=O)NC 7a_100000031558_100000183359 [0,1,0,0,0,0|3,0,0]=4 2634 B12R0.248 C=COCCCCOCC(=O)OC 34a_100000031558_100000747449 [0,1,0,0,0,0|2,0,0]=3 2635 B12R0.248 C=COCCCCOCC(=O)OC 7a_100000031558_100000747449 [0,1,0,0,0,0|2,0,0]=3 2636 B12R0.248 C=COCCCNCCC(=O)NC 2230a_100000210767_100000737683 [0,1,0,0,0,0|3,0,0]=4 2637 B12R0.248 C=COCCCNCCC(=O)NC 34a_100000210767_100012179268 [0,1,0,0,0,0|3,0,0]=4 2638 B12R0.248 C=COCCCNCCC(=O)OC 2230a_100000210767_100000204255 [0,1,0,0,0,0|2,0,0]=3 2639 B12R0.248 C=COCCCNCCC(=O)OC 34a_100000210767_100000742370 [0,1,0,0,0,0|2,0,0]=3 2640 B12R0.248 C=COCCNCCCC(=O)NC 2230a_100000740002_100000039644 [0,1,0,0,0,0|3,0,0]=4 2641 B12R0.248 C=COCCNCCCC(=O)NC 34a_100000740002_100000039644 [0,1,0,0,0,0|3,0,0]=4 2642 B12R0.248 C=COCCOCCCC(=O)NC 34a_100000033082_100000741757 [0,1,0,0,0,0|3,0,0]=4 2643 B12R0.248 C=COCCOCCCC(=O)NN 34a_100000211488_100000039644 [0,1,0,0,0,0|3,0,0]=4 2644 B12R0.248 C=COCCOCCCC(=O)OC 34a_100000033082_100000742333 [0,1,0,0,0,0|2,0,0]=3 2645 B12R0.248 C=COCCOCCNC(=O)OC 34a_100000757965_100000039644 [0,1,0,0,0,0|3,0,0]=4 2646 B12R0.248 C=COCCOCCOC(=O)OC 34a_100010262106_100000039644 [0,1,0,0,0,0|3,0,0]=4 2647 B12R0.248 C=COCCSCCCC(=O)NC 62a_100000039644_100000741757 [0,1,0,0,0,0|3,0,0]=4 2648 B12R0.248 C=COCCSCCCC(=O)NC 62a_100000741757_100000039644 [0,1,0,0,0,0|3,0,0]=4 2649 B12R0.248 C=COCCSCCCC(=O)OC 62a_100000039644_100011218270 [0,1,0,0,0,0|2,0,0]=3 2650 B12R0.248 C=COCCSCCCC(=O)OC 62a_100011218270_100000039644 [0,1,0,0,0,0|2,0,0]=3 2651 B12R0.248 CC=CCCCOCCC(=O)OC 34a_100020645299_100000742370 [0,1,0,0,0,0|1,0,2]=4 2652 B12R0.248 CC=CCOCCCCC(=O)OC 34a_100000059025_100000070051 [0,1,0,0,0,0|1,0,2]=4 2653 B12R0.248 CC=CCOCCCCC(=O)OC 7a_100000059025_100000070051 [0,1,0,0,0,0|1,0,2]=4 2654 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000070051_100000204269 [0,1,0,0,0,0|1,0,2]=4 2655 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000204269_100000070051 [0,1,0,0,0,0|1,0,2]=4 2656 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,1,0,0,0,0|2,0,1]=4 2657 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [0,1,0,0,0,0|3,0,0]=4 2658 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [0,1,0,0,0,0|3,0,0]=4 2659 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,0,0,0,0|1,0,2]=4 2660 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,0,0,0,0|1,0,2]=4 2661 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,1,0,0,0,0|1,0,2]=4 2662 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,0,0,0,0|0,0,2]=3 2663 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,0,0,0,0|1,0,2]=4 2664 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 2665 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 2666 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 2667 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,1,0,0,0,0|1,0,2]=4 2668 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,1,0,0,0,0|1,0,2]=4 2669 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,1,0,0,0,0|1,0,2]=4 2670 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,1,0,0,0,0|1,0,2]=4 2671 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,1,0,0,0,0|1,0,2]=4 2672 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,1,0,0,0,0|1,0,2]=4 2673 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,1,0,0,0,0|1,0,2]=4 2674 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,1,0,0,0,0|1,0,2]=4 2675 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,1,0,0,0,0|1,0,2]=4 2676 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,1,0,0,0,0|1,0,2]=4 2677 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,1,0,0,0,0|1,0,2]=4 2678 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,1,0,0,0,0|1,0,2]=4 2679 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,1,0,0,0,0|1,0,2]=4 2680 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,1,0,0,0,0|1,0,2]=4 2681 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,1,0,0,0,0|1,0,2]=4 2682 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,1,0,0,0,0|1,0,2]=4 2683 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,1,0,0,0,0|1,0,2]=4 2684 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,1,0,0,0,0|1,0,2]=4 2685 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,1,0,0,0,0|1,0,2]=4 2686 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,1,0,0,0,0|1,0,2]=4 2687 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,1,0,0,0,0|1,0,2]=4 2688 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,1,0,0,0,0|1,0,2]=4 2689 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,1,0,0,0,0|1,0,2]=4 2690 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,1,0,0,0,0|1,0,2]=4 2691 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,1,0,0,0,0|1,0,2]=4 2692 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,1,0,0,0,0|1,0,2]=4 2693 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,1,0,0,0,0|1,0,2]=4 2694 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,1,0,0,0,0|1,0,2]=4 2695 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,1,0,0,0,0|1,0,2]=4 2696 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,1,0,0,0,0|1,0,2]=4 2697 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,1,0,0,0,0|1,0,2]=4 2698 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,1,0,0,0,0|1,0,2]=4 2699 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,1,0,0,0,0|1,0,2]=4 2700 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,1,0,0,0,0|1,0,2]=4 2701 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,1,0,0,0,0|1,0,2]=4 2702 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,1,0,0,0,0|1,0,2]=4 2703 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,1,0,0,0,0|2,0,1]=4 2704 B12R0.248 CNC(=O)CCCNCCCC=O 2230a_100000740002_200011292268 [0,1,0,0,0,0|3,0,0]=4 2705 B12R0.248 CNC(=O)CCCSCCCC=O 62a_100000741757_200011292268 [0,1,0,0,0,0|3,0,0]=4 2706 B12R0.248 CNC(=O)CCCSCCCC=O 62a_200011292268_100000741757 [0,1,0,0,0,0|3,0,0]=4 2707 B12R0.248 CNC(=O)CCNCCCCC=O 2230a_100000738227_100000139335 [0,1,0,0,0,0|3,0,0]=4 2708 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000139335_100000737683 [0,1,0,0,0,0|3,0,0]=4 2709 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000737683_100000139335 [0,1,0,0,0,0|3,0,0]=4 2710 B12R0.248 CNC(=O)CNCCCCCC=O 2230a_100000693194_100000139337 [0,1,0,0,0,0|3,0,0]=4 2711 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000139337_100000183359 [0,1,0,0,0,0|3,0,0]=4 2712 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000183359_100000139337 [0,1,0,0,0,0|3,0,0]=4 2713 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,1,0,0,0,0|1,0,1]=3 2714 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,1,0,0,0,0|1,0,1]=3 2715 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,1,0,0,0,0|1,0,1]=3 2716 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,1,0,0,0,0|2,0,1]=4 2717 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,1,0,0,0,0|2,0,1]=4 2718 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,1,0,0,0,0|1,0,1]=3 2719 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,1,0,0,0,0|1,0,1]=3 2720 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,1,0,0,0,0|1,0,1]=3 2721 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,1,0,0,0,0|1,0,1]=3 2722 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,1,0,0,0,0|1,0,1]=3 2723 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,1,0,0,0,0|1,0,1]=3 2724 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,1,0,0,0,0|2,0,1]=4 2725 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,1,0,0,0,0|2,0,1]=4 2726 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,1,0,0,0,0|2,0,1]=4 2727 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,1,0,0,0,0|2,0,1]=4 2728 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,1,0,0,0,0|2,0,1]=4 2729 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,1,0,0,0,0|2,0,1]=4 2730 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,1,0,0,0,0|2,0,1]=4 2731 B12R0.248 COC(=O)CCCCCOCC#N 7a_100000074720_100011215382 [0,1,0,0,0,0|2,0,1]=4 2732 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [0,1,0,0,0,0|2,0,0]=3 2733 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [0,1,0,0,0,0|2,0,0]=3 2734 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,1,0,0,0,0|2,0,1]=4 2735 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,1,0,0,0,0|2,0,1]=4 2736 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,1,0,0,0,0|2,0,1]=4 2737 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,1,0,0,0,0|2,0,1]=4 2738 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,1,0,0,0,0|2,0,1]=4 2739 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,1,0,0,0,0|2,0,1]=4 2740 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,1,0,0,0,0|2,0,1]=4 2741 B12R0.248 COC(=O)CCCCCSCC#N 62a_100009816466_100011215382 [0,1,0,0,0,0|2,0,1]=4 2742 B12R0.248 COC(=O)CCCCCSCC#N 62a_100011215382_100009816466 [0,1,0,0,0,0|2,0,1]=4 2743 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [0,1,0,0,0,0|2,0,0]=3 2744 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [0,1,0,0,0,0|2,0,0]=3 2745 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,1,0,0,0,0|2,0,1]=4 2746 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,1,0,0,0,0|2,0,1]=4 2747 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,1,0,0,0,0|2,0,1]=4 2748 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,1,0,0,0,0|2,0,1]=4 2749 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,1,0,0,0,0|2,0,1]=4 2750 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,1,0,0,0,0|2,0,1]=4 2751 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,1,0,0,0,0|2,0,1]=4 2752 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,1,0,0,0,0|2,0,1]=4 2753 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,1,0,0,0,0|2,0,1]=4 2754 B12R0.248 COC(=O)CCCCOCCC#N 7a_100000059025_100000184422 [0,1,0,0,0,0|2,0,1]=4 2755 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,1,0,0,0,0|2,0,1]=4 2756 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,1,0,0,0,0|2,0,1]=4 2757 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,1,0,0,0,0|2,0,1]=4 2758 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,1,0,0,0,0|2,0,1]=4 2759 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,1,0,0,0,0|2,0,1]=4 2760 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,1,0,0,0,0|2,0,1]=4 2761 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,1,0,0,0,0|2,0,1]=4 2762 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,1,0,0,0,0|2,0,1]=4 2763 B12R0.248 COC(=O)CCCCOCCON 34a_100000700252_100000204269 [0,1,0,0,0,0|3,0,0]=4 2764 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,1,0,0,0,0|2,0,1]=4 2765 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,1,0,0,0,0|2,0,1]=4 2766 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,1,0,0,0,0|2,0,1]=4 2767 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,1,0,0,0,0|2,0,1]=4 2768 B12R0.248 COC(=O)CCCCSCCC#N 62a_100000204269_100011215226 [0,1,0,0,0,0|2,0,1]=4 2769 B12R0.248 COC(=O)CCCCSCCC#N 62a_100011215226_100000204269 [0,1,0,0,0,0|2,0,1]=4 2770 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,1,0,0,0,0|2,0,1]=4 2771 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,1,0,0,0,0|2,0,1]=4 2772 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,1,0,0,0,0|2,0,1]=4 2773 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,1,0,0,0,0|2,0,1]=4 2774 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,1,0,0,0,0|2,0,1]=4 2775 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,1,0,0,0,0|2,0,1]=4 2776 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,1,0,0,0,0|2,0,1]=4 2777 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,1,0,0,0,0|2,0,1]=4 2778 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,1,0,0,0,0|2,0,1]=4 2779 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,1,0,0,0,0|2,0,1]=4 2780 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,1,0,0,0,0|2,0,1]=4 2781 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,1,0,0,0,0|2,0,1]=4 2782 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,1,0,0,0,0|2,0,1]=4 2783 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,1,0,0,0,0|2,0,1]=4 2784 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,1,0,0,0,0|2,0,1]=4 2785 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,1,0,0,0,0|2,0,1]=4 2786 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,1,0,0,0,0|2,0,1]=4 2787 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,1,0,0,0,0|2,0,1]=4 2788 B12R0.248 COC(=O)CCCSCCCC#N 62a_100000687738_100011218270 [0,1,0,0,0,0|2,0,1]=4 2789 B12R0.248 COC(=O)CCCSCCCC#N 62a_100011218270_100000687738 [0,1,0,0,0,0|2,0,1]=4 2790 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [0,1,0,0,0,0|2,0,0]=3 2791 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [0,1,0,0,0,0|2,0,0]=3 2792 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,1,0,0,0,0|2,0,1]=4 2793 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,1,0,0,0,0|2,0,1]=4 2794 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,1,0,0,0,0|2,0,1]=4 2795 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,1,0,0,0,0|2,0,1]=4 2796 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,1,0,0,0,0|2,0,1]=4 2797 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,1,0,0,0,0|2,0,1]=4 2798 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,1,0,0,0,0|2,0,1]=4 2799 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,1,0,0,0,0|2,0,1]=4 2800 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,1,0,0,0,0|2,0,1]=4 2801 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,1,0,0,0,0|2,0,1]=4 2802 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,1,0,0,0,0|2,0,1]=4 2803 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,1,0,0,0,0|2,0,1]=4 2804 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,1,0,0,0,0|2,0,1]=4 2805 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,1,0,0,0,0|2,0,1]=4 2806 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,1,0,0,0,0|2,0,1]=4 2807 B12R0.248 COC(=O)CCSCCCCC#N 62a_100000204255_100000211819 [0,1,0,0,0,0|2,0,1]=4 2808 B12R0.248 COC(=O)CCSCCCCC#N 62a_100011219923_100000204255 [0,1,0,0,0,0|2,0,1]=4 2809 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [0,1,0,0,0,0|2,0,0]=3 2810 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [0,1,0,0,0,0|2,0,0]=3 2811 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,1,0,0,0,0|2,0,1]=4 2812 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,1,0,0,0,0|2,0,1]=4 2813 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,1,0,0,0,0|2,0,1]=4 2814 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,1,0,0,0,0|2,0,1]=4 2815 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,1,0,0,0,0|2,0,1]=4 2816 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,1,0,0,0,0|2,0,1]=4 2817 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,1,0,0,0,0|2,0,1]=4 2818 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,1,0,0,0,0|2,0,1]=4 2819 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,1,0,0,0,0|2,0,1]=4 2820 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,1,0,0,0,0|2,0,1]=4 2821 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,1,0,0,0,0|2,0,1]=4 2822 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,1,0,0,0,0|2,0,1]=4 2823 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,1,0,0,0,0|2,0,1]=4 2824 B12R0.248 COC(=O)CSCCCCCC#N 62a_100000747449_100009813376 [0,1,0,0,0,0|2,0,1]=4 2825 B12R0.248 COC(=O)CSCCCCCC#N 62a_100009813376_100000747449 [0,1,0,0,0,0|2,0,1]=4 2826 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [0,1,0,0,0,0|2,0,0]=3 2827 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [0,1,0,0,0,0|2,0,0]=3 2828 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,1,0,0,0,0|2,0,1]=4 2829 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,1,0,0,0,0|2,0,1]=4 2830 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,1,0,0,0,0|2,0,1]=4 2831 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,1,0,0,0,0|2,0,1]=4 2832 B12R0.248 COC(=O)OCSCCCCC=O 62a_100000139335_100000139417 [0,1,0,0,0,0|3,0,0]=4 2833 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,1,0,0,0,0|1,0,1]=3 2834 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,1,0,0,0,0|1,0,1]=3 2835 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,1,0,0,0,0|1,0,1]=3 2836 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,1,0,0,0,0|2,0,1]=4 2837 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,1,0,0,0,0|2,0,1]=4 2838 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,1,0,0,0,0|2,0,1]=4 2839 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,1,0,0,0,0|2,0,1]=4 2840 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,1,0,0,0,0|2,0,1]=4 2841 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,1,0,0,0,0|2,0,1]=4 2842 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,1,0,0,0,0|2,0,1]=4 2843 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,1,0,0,0,0|2,0,1]=4 2844 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,1,0,0,0,0|2,0,1]=4 2845 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,1,0,0,0,0|2,0,1]=4 2846 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,1,0,0,0,0|2,0,1]=4 2847 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,1,0,0,0,0|2,0,1]=4 2848 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,1,0,0,0,0|2,0,1]=4 2849 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,1,0,0,0,0|2,0,1]=4 2850 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,1,0,0,0,0|2,0,1]=4 2851 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,1,0,0,0,0|2,0,1]=4 2852 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,1,0,0,0,0|2,0,1]=4 2853 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,1,0,0,0,0|1,0,1]=3 2854 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,1,0,0,0,0|2,0,1]=4 2855 B12R0.251 C#CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012094781 [0,1,0,0,0,0|1,0,2]=4 2856 B12R0.251 C#CCCCCNCC(C)C(=O)O 269956a_100000749485_100010269958 [0,1,0,0,0,0|1,0,2]=4 2857 B12R0.251 C#CCCCCNCC(F)C(=O)O 269956a_100000084737_100010269958 [0,1,0,0,0,0|1,0,2]=4 2858 B12R0.251 C=CCCCCCCC(=O)C(=C)C 1458a_100000185857_100011215473 [0,1,0,0,0,0|2,0,1]=4 2859 B12R0.251 C=CCCCCCCC(=O)C(O)O 1458a_100000233687_100011215473 [0,1,0,0,0,0|0,0,3]=4 2860 B12R0.251 C=CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215473 [0,1,0,0,0,0|1,0,2]=4 2861 B12R0.251 C=CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215473 [0,1,0,0,0,0|1,0,2]=4 2862 B12R0.251 C=CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000700193 [0,1,0,0,0,0|1,0,0]=2 2863 B12R0.251 C=CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000700193 [0,1,0,0,0,0|2,0,0]=3 2864 B12R0.251 C=CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000700193 [0,1,0,0,0,0|2,0,0]=3 2865 B12R0.251 C=CCCCCCOC(C)C(=O)C 34a_100000212229_100000700193 [0,1,0,0,0,0|2,0,0]=3 2866 B12R0.251 C=CCCCCCOC(C)C(=O)C 7a_100011216702_100000179758 [0,1,0,0,0,0|2,0,0]=3 2867 B12R0.251 C=CCCCCCOC(C)C(=O)N 34a_100011216702_100000702099 [0,1,0,0,0,0|2,0,0]=3 2868 B12R0.251 C=CCCCCCOC(C)C(=O)N 7a_100011216702_100000702099 [0,1,0,0,0,0|2,0,0]=3 2869 B12R0.251 C=CCCCCCOC(F)C(=O)N 34a_100011216702_100009813875 [0,1,0,0,0,0|2,0,0]=3 2870 B12R0.251 C=CCCCCCOC(F)C(=O)N 7a_100011216702_100009813875 [0,1,0,0,0,0|2,0,0]=3 2871 B12R0.251 C=CCCCCCOC(F)C(=O)[O-] 34a_100011216702_100020610796 [0,1,0,0,0,0|1,0,1]=3 2872 B12R0.251 C=CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000700193 [0,1,0,0,0,0|1,0,1]=3 2873 B12R0.251 C=CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000700193 [0,1,0,0,0,0|2,0,0]=3 2874 B12R0.251 C=CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000700193 [0,1,0,0,0,0|2,0,0]=3 2875 B12R0.251 C=CCCCCCSC(C)C(=O)C 62a_100000700193_100009814033 [0,1,0,0,0,0|2,0,0]=3 2876 B12R0.251 C=CCCCCCSC(C)C(=O)C 62a_100009814033_100000700193 [0,1,0,0,0,0|2,0,0]=3 2877 B12R0.251 C=CCCCCCSC(C)C(=O)N 62a_100000700193_100000702099 [0,1,0,0,0,0|2,0,0]=3 2878 B12R0.251 C=CCCCCCSC(C)C(=O)N 62a_100000702099_100000700193 [0,1,0,0,0,0|2,0,0]=3 2879 B12R0.251 C=CCCCCCSC(F)C(=O)N 62a_100000700193_100009813875 [0,1,0,0,0,0|2,0,0]=3 2880 B12R0.251 C=CCCCCCSC(F)C(=O)N 62a_100009813875_100000700193 [0,1,0,0,0,0|2,0,0]=3 2881 B12R0.251 C=CCCCCCSC(F)C(=O)[O-] 62a_100000700193_100020610796 [0,1,0,0,0,0|1,0,1]=3 2882 B12R0.251 C=CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000700193 [0,1,0,0,0,0|1,0,1]=3 2883 B12R0.251 C=CCCCCNCC(=O)C(=O)C 34a_100000703577_100011261029 [0,1,0,0,0,0|2,0,1]=4 2884 B12R0.251 C=CCCCCNCC(C)C(=O)O 269956a_100000749485_100011215482 [0,1,0,0,0,0|1,0,0]=2 2885 B12R0.251 C=CCCCCNCC(F)C(=O)O 269956a_100000084737_100011215482 [0,1,0,0,0,0|1,0,0]=2 2886 B12R0.251 C=CCCCCOCC(=O)C(=O)C 34a_100000766645_100011261029 [0,1,0,0,0,0|2,0,1]=4 2887 B12R0.251 C=CCCCCOCC(C)C(=O)C 34a_100000032740_100011215482 [0,1,0,0,0,0|2,0,0]=3 2888 B12R0.251 C=CCCCCOCC(C)C(=O)C 7a_100000032740_100011215482 [0,1,0,0,0,0|2,0,0]=3 2889 B12R0.251 C=CCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011215482 [0,1,0,0,0,0|2,0,1]=4 2890 B12R0.251 C=CCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100011215482 [0,1,0,0,0,0|2,0,1]=4 2891 B12R0.251 C=CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011215482 [0,1,0,0,0,0|2,0,0]=3 2892 B12R0.251 C=CCCCCSCC(=O)C(=O)C 62a_100011215482_100011261029 [0,1,0,0,0,0|2,0,1]=4 2893 B12R0.251 C=CCCCCSCC(=O)C(=O)C 62a_100011261029_100011215482 [0,1,0,0,0,0|2,0,1]=4 2894 B12R0.251 C=COCCCCOC(C)C(=O)C 7a_100000031558_100000179758 [0,1,0,0,0,0|3,0,0]=4 2895 B12R0.251 C=COCCCCOC(C)C(=O)N 34a_100000031558_100000702099 [0,1,0,0,0,0|3,0,0]=4 2896 B12R0.251 C=COCCCCOC(C)C(=O)N 7a_100000031558_100000702099 [0,1,0,0,0,0|3,0,0]=4 2897 B12R0.251 C=COCCCCOC(F)C(=O)N 34a_100000031558_100009813875 [0,1,0,0,0,0|3,0,0]=4 2898 B12R0.251 C=COCCCCOC(F)C(=O)N 7a_100000031558_100009813875 [0,1,0,0,0,0|3,0,0]=4 2899 B12R0.251 C=COCCCCOC(F)C(=O)[O-] 34a_100000031558_100020610796 [0,1,0,0,0,0|2,0,1]=4 2900 B12R0.251 CC(=O)C(C)COCCCCC=O 7a_100000032740_100000139335 [0,1,0,0,0,0|3,0,0]=4 2901 B12R0.251 CC(=O)C(C)SCCCCCC=O 62a_100000139337_100009814033 [0,1,0,0,0,0|3,0,0]=4 2902 B12R0.251 CC(=O)C(C)SCCCCCC=O 62a_100009814033_100000139337 [0,1,0,0,0,0|3,0,0]=4 2903 B12R0.251 CC(CNCCCCC#N)C(=O)O 269956a_100000749485_100011219923 [0,1,0,0,0,0|2,0,1]=4 2904 B12R0.251 CC(CNCCCCC=O)C(=O)O 269956a_100000749485_100000139335 [0,1,0,0,0,0|2,0,0]=3 2905 B12R0.251 CC(CNCCCCCF)C(=O)O 269956a_100000749485_100000729378 [0,1,0,0,0,0|2,0,1]=4 2906 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [0,1,0,0,0,0|2,0,1]=4 2907 B12R0.251 CC(SCCCCCC=O)C(=O)N 62a_100000139337_100000702099 [0,1,0,0,0,0|3,0,0]=4 2908 B12R0.251 CC(SCCCCCC=O)C(=O)N 62a_100000702099_100000139337 [0,1,0,0,0,0|3,0,0]=4 2909 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,1,0,0,0,0|1,0,2]=4 2910 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,1,0,0,0,0|1,0,2]=4 2911 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,1,0,0,0,0|1,0,2]=4 2912 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,1,0,0,0,0|1,0,2]=4 2913 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,1,0,0,0,0|1,0,2]=4 2914 B12R0.251 COCCCCNCC(C)C(=O)O 269956a_100000749485_100000730899 [0,1,0,0,0,0|2,0,1]=4 2915 B12R0.251 COCCCCNCC(F)C(=O)O 269956a_100000084737_100000730899 [0,1,0,0,0,0|2,0,1]=4 2916 B12R0.251 C[C@@H](NCCCCCC=O)C(=O)N 2230a_100000119354_100000139337 [0,1,0,0,0,0|3,0,0]=4 2917 B12R0.251 C[C@@H](OCCCCCC=O)C(=O)N 7a_100000731257_100000139337 [0,1,0,0,0,0|3,0,0]=4 2918 B12R0.251 C[C@H](NCCCCCC#N)C(=O)O 269956a_100000743915_100009813376 [0,1,0,0,0,0|2,0,1]=4 2919 B12R0.251 C[C@H](NCCCCCC=O)C(=O)O 269956a_100000743915_100000139337 [0,1,0,0,0,0|2,0,0]=3 2920 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 269956a_100000743915_100015922095 [0,1,0,0,0,0|2,0,1]=4 2921 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [0,1,0,0,0,0|2,0,1]=4 2922 B12R0.251 C[C@H](OCCCCCC=O)C(=O)[O-] 7a_217856618621_100000139337 [0,1,0,0,0,0|2,0,1]=4 2923 B12R0.251 N#CCCCCNCC(F)C(=O)O 269956a_100000084737_100011219923 [0,1,0,0,0,0|2,0,1]=4 2924 B12R0.251 NC(=O)C(F)SCCCCCC=O 62a_100000139337_100009813875 [0,1,0,0,0,0|3,0,0]=4 2925 B12R0.251 NC(=O)C(F)SCCCCCC=O 62a_100009813875_100000139337 [0,1,0,0,0,0|3,0,0]=4 2926 B12R0.251 O=C(O)C(F)CNCCCCCF 269956a_100000084737_100000729378 [0,1,0,0,0,0|2,0,1]=4 2927 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [0,1,0,0,0,0|2,0,1]=4 2928 B12R0.251 O=CCCCCCSC(F)C(=O)[O-] 62a_100000139337_100020610796 [0,1,0,0,0,0|2,0,1]=4 2929 B12R0.251 O=CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000139337 [0,1,0,0,0,0|2,0,1]=4 2930 B12R0.251 O=CCCCCNCC(F)C(=O)O 269956a_100000084737_100000139335 [0,1,0,0,0,0|2,0,0]=3 2931 B12R0.255 C=CCCCCC(=O)CCC(=C)C 1458a_100011215552_100000730704 [0,1,0,0,0,0|2,0,1]=4 2932 B12R0.255 C=CCCCCC(=O)CCC(=C)C 1458a_200000688413_100011215482 [0,1,0,0,0,0|2,0,1]=4 2933 B12R0.255 C=CCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215482 [0,1,0,0,0,0|1,0,1]=3 2934 B12R0.255 C=CCCCCC(=O)CCC(C)O 1458a_100011215552_100012276601 [0,1,0,0,0,0|1,0,2]=4 2935 B12R0.255 C=CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215482 [0,1,0,0,0,0|1,0,2]=4 2936 B12R0.255 C=CCCCCC(=O)CNC(=O)C 1458a_100000194580_100011215482 [0,1,0,0,0,0|2,0,1]=4 2937 B12R0.255 C=CCCCCC(=O)CNC(=O)N 1458a_100000184981_100011215482 [0,1,0,0,0,0|2,0,1]=4 2938 B12R0.255 C=CCCCCC(=O)COC(=O)C 1458a_100000183556_100011215482 [0,1,0,0,0,0|2,0,1]=4 2939 B12R0.255 C=CCCCCC(=O)CSC(=O)C 1458a_100000049016_100011215482 [0,1,0,0,0,0|2,0,1]=4 2940 B12R0.255 C=CCCCCC(=O)NCC(=O)N 11a_100000711301_100011215552 [0,1,0,0,0,0|2,0,1]=4 2941 B12R0.255 C=CCCCCC(=O)NCC(=O)N 240690a_100000711301_100011215552 [0,1,0,0,0,0|2,0,1]=4 2942 B12R0.255 C=CCCCCC(=O)NCC(=O)N 527a_100000711301_100011215552 [0,1,0,0,0,0|2,0,1]=4 2943 B12R0.255 C=CCCCCN(C)CCC(=C)C 2230a_100012000471_100000730704 [0,1,0,0,0,0|3,0,0]=4 2944 B12R0.255 C=CCCCCN(C)CCC(=C)C 269982a_100012000471_100000730704 [0,1,0,0,0,0|3,0,0]=4 2945 B12R0.255 C=CCCCCN(C)CCC(=O)C 269982a_100012000471_100000053229 [0,1,0,0,0,0|2,0,0]=3 2946 B12R0.255 C=CCCCCN(C)CCC(=O)N 2230a_100000730477_100011215482 [0,1,0,0,0,0|2,0,0]=3 2947 B12R0.255 C=CCCCCN(C)CCC(=O)N 2230a_100012000471_100000744528 [0,1,0,0,0,0|2,0,0]=3 2948 B12R0.255 C=CCCCCN(C)CCC(=O)N 269982a_100012000471_100000744528 [0,1,0,0,0,0|2,0,0]=3 2949 B12R0.255 C=CCCCCN(C)CCC(C)O 2230a_100012000471_100012276601 [0,1,0,0,0,0|2,0,1]=4 2950 B12R0.255 C=CCCCCN(C)CCC(C)O 269982a_100012000471_100012276601 [0,1,0,0,0,0|2,0,1]=4 2951 B12R0.255 C=CCCCCN(C)COC(=O)C 269982a_100012000471_100000076356 [0,1,0,0,0,0|3,0,0]=4 2952 B12R0.255 C=CCCCNC(=O)CCC(=O)N 240690a_100000700776_100011215257 [0,1,0,0,0,0|2,0,1]=4 2953 B12R0.255 C=CCCCNC(=O)CCC(=O)N 527a_100000700776_100011215257 [0,1,0,0,0,0|2,0,1]=4 2954 B12R0.255 C=CCCCNC(C)CCC(=C)C 270004a_100000700776_100011215600 [0,1,0,0,0,0|3,0,0]=4 2955 B12R0.255 C=CCCCNC(C)COC(=O)C 270004a_100000700776_100000000629 [0,1,0,0,0,0|3,0,0]=4 2956 B12R0.255 C=CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000754431 [0,1,0,0,0,0|2,0,1]=4 2957 B12R0.255 C=CCCNCC(C)CSC(=O)C 2230a_100015191253_200000116872 [0,1,0,0,0,0|3,0,0]=4 2958 B12R0.255 C=CCCOCC(C)CSC(=O)C 34a_100011205117_200000116872 [0,1,0,0,0,0|3,0,0]=4 2959 B12R0.255 C=CCCOCC(O)COC(=O)C 34a_100011205117_200000139349 [0,1,0,0,0,0|3,0,0]=4 2960 B12R0.255 C=CCCSCC(C)CSC(=O)C 62a_100000754431_200000116872 [0,1,0,0,0,0|3,0,0]=4 2961 B12R0.255 C=CCCSCC(C)CSC(=O)C 62a_200000116872_100000754431 [0,1,0,0,0,0|3,0,0]=4 2962 B12R0.255 C=CCCSCC(O)COC(=O)C 62a_100000754431_200000139349 [0,1,0,0,0,0|3,0,0]=4 2963 B12R0.255 C=CCCSCC(O)COC(=O)C 62a_200000139349_100000754431 [0,1,0,0,0,0|3,0,0]=4 2964 B12R0.255 C=CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210623 [0,1,0,0,0,0|2,0,1]=4 2965 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,1,0,0,0,0|1,0,2]=4 2966 B12R0.255 CN(CCCCC=O)CCC(=O)N 2230a_100000730477_100000139335 [0,1,0,0,0,0|3,0,0]=4 2967 B12R0.268 C=C(Br)CCOCCCCB(O)O 34a_100009813270_200009817182 [0,1,0,0,0,0|2,0,1]=4 2968 B12R0.268 C=C(Br)CCOCCCCC(=O)C 34a_100009813270_100009817362 [0,1,0,0,0,0|2,0,0]=3 2969 B12R0.268 C=C(Br)CCOCCCOC(=O)C 34a_100009813270_100000042594 [0,1,0,0,0,0|3,0,0]=4 2970 B12R0.268 C=C(Br)CCOCCCSC(=O)C 34a_100009813270_100000038929 [0,1,0,0,0,0|3,0,0]=4 2971 B12R0.268 C=C(Br)CCOCCOCC(=O)N 34a_100009813270_100000076697 [0,1,0,0,0,0|3,0,0]=4 2972 B12R0.268 C=C(C)CCNCCCCC(=O)N 34a_100000696515_100000730704 [0,1,0,0,0,0|2,0,0]=3 2973 B12R0.268 C=C(C)CCNCCCNC(=O)C 34a_100000736810_100000730704 [0,1,0,0,0,0|3,0,0]=4 2974 B12R0.268 C=C(C)CCNCCOCC(=O)O 269956a_100000700818_100000730704 [0,1,0,0,0,0|2,0,0]=3 2975 B12R0.268 C=C(C)CCOCCCCB(O)O 34a_100000764851_200009817182 [0,1,0,0,0,0|2,0,1]=4 2976 B12R0.268 C=C(C)CCOCCCCC(=O)C 34a_100000764851_100009817362 [0,1,0,0,0,0|2,0,0]=3 2977 B12R0.268 C=C(C)CCOCCCCC(=O)N 34a_100012022536_100000730704 [0,1,0,0,0,0|2,0,0]=3 2978 B12R0.268 C=C(C)CCOCCCCC(=O)N 7a_100012022536_100000730704 [0,1,0,0,0,0|2,0,0]=3 2979 B12R0.268 C=C(C)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000730704 [0,1,0,0,0,0|2,0,1]=4 2980 B12R0.268 C=C(C)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000730704 [0,1,0,0,0,0|2,0,1]=4 2981 B12R0.268 C=C(C)CCOCCCNC(=O)C 34a_100000752032_100000730704 [0,1,0,0,0,0|3,0,0]=4 2982 B12R0.268 C=C(C)CCOCCCOC(=O)C 34a_100000764851_100000042594 [0,1,0,0,0,0|3,0,0]=4 2983 B12R0.268 C=C(C)CCOCCCSC(=O)C 34a_100000764851_100000038929 [0,1,0,0,0,0|3,0,0]=4 2984 B12R0.268 C=C(C)CCOCCOCC(=O)N 34a_100000764851_100000076697 [0,1,0,0,0,0|3,0,0]=4 2985 B12R0.268 C=C(C)CCSCCCCB(O)O 62a_100000730704_200009817182 [0,1,0,0,0,0|2,0,1]=4 2986 B12R0.268 C=C(C)CCSCCCCB(O)O 62a_200009817182_100000730704 [0,1,0,0,0,0|2,0,1]=4 2987 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000730704_100000735457 [0,1,0,0,0,0|2,0,0]=3 2988 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000735457_100000730704 [0,1,0,0,0,0|2,0,0]=3 2989 B12R0.268 C=C(C)CCSCCCOC(=O)C 62a_100000042594_100000730704 [0,1,0,0,0,0|3,0,0]=4 2990 B12R0.268 C=C(C)CCSCCCOC(=O)C 62a_100000730704_100000042594 [0,1,0,0,0,0|3,0,0]=4 2991 B12R0.268 C=C(C)CCSCCCSC(=O)C 62a_100000038929_100000730704 [0,1,0,0,0,0|3,0,0]=4 2992 B12R0.268 C=C(C)CCSCCCSC(=O)C 62a_100000730704_100000038929 [0,1,0,0,0,0|3,0,0]=4 2993 B12R0.268 C=C(C)CCSCCOCC(=O)N 62a_100000076697_100000730704 [0,1,0,0,0,0|3,0,0]=4 2994 B12R0.268 C=C(C)CCSCCOCC(=O)N 62a_100000730704_100000076697 [0,1,0,0,0,0|3,0,0]=4 2995 B12R0.268 C=C(C)CNCCCCNC(=O)C 2230a_200011368371_100000748629 [0,1,0,0,0,0|3,0,0]=4 2996 B12R0.268 C=C(C)CNCCCCNC(=O)C 34a_200011368371_100000748629 [0,1,0,0,0,0|3,0,0]=4 2997 B12R0.268 C=C(C)COCCCCCB(O)O 34a_100000210245_200009817188 [0,1,0,0,0,0|2,0,1]=4 2998 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000123541_100000748629 [0,1,0,0,0,0|2,0,0]=3 2999 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000210245_100009817443 [0,1,0,0,0,0|2,0,0]=3 3000 B12R0.268 C=C(C)COCCCCCC(=O)N 7a_100000123541_100000748629 [0,1,0,0,0,0|2,0,0]=3 3001 B12R0.268 C=C(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748629 [0,1,0,0,0,0|1,0,1]=3 3002 B12R0.268 C=C(C)COCCCCOC(=O)C 34a_100000073216_100000748629 [0,1,0,0,0,0|3,0,0]=4 3003 B12R0.268 C=C(C)COCCCCOC(=O)C 34a_100000210245_100000033659 [0,1,0,0,0,0|3,0,0]=4 3004 B12R0.268 C=C(C)COCCCCOC(=O)C 7a_100000073216_100000748629 [0,1,0,0,0,0|3,0,0]=4 3005 B12R0.268 C=C(C)COCCCCSC(=O)C 34a_100000210245_200010402107 [0,1,0,0,0,0|3,0,0]=4 3006 B12R0.268 C=C(C)CSCCCCCB(O)O 62a_100000748629_200009817188 [0,1,0,0,0,0|2,0,1]=4 3007 B12R0.268 C=C(C)CSCCCCCB(O)O 62a_200009817188_100000211660 [0,1,0,0,0,0|2,0,1]=4 3008 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100000748629_100009817443 [0,1,0,0,0,0|2,0,0]=3 3009 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100009817443_100000211660 [0,1,0,0,0,0|2,0,0]=3 3010 B12R0.268 C=C(C)CSCCCCOC(=O)C 62a_100000033659_100000211660 [0,1,0,0,0,0|3,0,0]=4 3011 B12R0.268 C=C(C)CSCCCCOC(=O)C 62a_100000748629_100000033659 [0,1,0,0,0,0|3,0,0]=4 3012 B12R0.268 C=C(C)CSCCCCSC(=O)C 62a_100000748629_200010402107 [0,1,0,0,0,0|3,0,0]=4 3013 B12R0.268 C=C(C)CSCCCCSC(=O)C 62a_200010402107_100000211660 [0,1,0,0,0,0|3,0,0]=4 3014 B12R0.268 C=C(F)CNCCCCNC(=O)C 2230a_200011368371_100009893438 [0,1,0,0,0,0|3,0,0]=4 3015 B12R0.268 C=C(F)CNCCCCNC(=O)C 34a_200011368371_100009893438 [0,1,0,0,0,0|3,0,0]=4 3016 B12R0.268 C=C(F)COCCCCCB(O)O 34a_200010262243_200009817188 [0,1,0,0,0,0|2,0,1]=4 3017 B12R0.268 C=C(F)COCCCCCC(=O)N 34a_100000123541_100009893438 [0,1,0,0,0,0|2,0,0]=3 3018 B12R0.268 C=C(F)COCCCCCC(=O)N 34a_200010262243_100009817443 [0,1,0,0,0,0|2,0,0]=3 3019 B12R0.268 C=C(F)COCCCCCC(=O)N 7a_100000123541_100000042424 [0,1,0,0,0,0|2,0,0]=3 3020 B12R0.268 C=C(F)COCCCCCC(=O)[O-] 7a_100102619762_100000042424 [0,1,0,0,0,0|1,0,1]=3 3021 B12R0.268 C=C(F)COCCCCOC(=O)C 34a_100000073216_100009893438 [0,1,0,0,0,0|3,0,0]=4 3022 B12R0.268 C=C(F)COCCCCOC(=O)C 34a_200010262243_100000033659 [0,1,0,0,0,0|3,0,0]=4 3023 B12R0.268 C=C(F)COCCCCOC(=O)C 7a_100000073216_100000042424 [0,1,0,0,0,0|3,0,0]=4 3024 B12R0.268 C=C(F)COCCCCSC(=O)C 34a_200010262243_200010402107 [0,1,0,0,0,0|3,0,0]=4 3025 B12R0.268 C=C(F)CSCCCCCB(O)O 62a_100000042424_200009817188 [0,1,0,0,0,0|2,0,1]=4 3026 B12R0.268 C=C(F)CSCCCCCB(O)O 62a_200009817188_100000042424 [0,1,0,0,0,0|2,0,1]=4 3027 B12R0.268 C=C(F)CSCCCCCC(=O)N 62a_100000042424_100009817443 [0,1,0,0,0,0|2,0,0]=3 3028 B12R0.268 C=C(F)CSCCCCCC(=O)N 62a_100009817443_100000042424 [0,1,0,0,0,0|2,0,0]=3 3029 B12R0.268 C=C(F)CSCCCCOC(=O)C 62a_100000033659_100000042424 [0,1,0,0,0,0|3,0,0]=4 3030 B12R0.268 C=C(F)CSCCCCOC(=O)C 62a_100000042424_100000033659 [0,1,0,0,0,0|3,0,0]=4 3031 B12R0.268 C=C(F)CSCCCCSC(=O)C 62a_100000042424_200010402107 [0,1,0,0,0,0|3,0,0]=4 3032 B12R0.268 C=C(F)CSCCCCSC(=O)C 62a_200010402107_100000042424 [0,1,0,0,0,0|3,0,0]=4 3033 B12R0.268 CC(=O)CCCCNOCC(=O)O 269956a_100000106656_100000735457 [0,1,0,0,0,0|2,0,1]=4 3034 B12R0.268 CC(=O)CCCCOCCC(=O)C 34a_100000759926_100009817362 [0,1,0,0,0,0|2,0,1]=4 3035 B12R0.268 CC(=O)CCCCOCCC(=O)C 7a_100000759926_100000735457 [0,1,0,0,0,0|2,0,1]=4 3036 B12R0.268 CC(=O)CCCCOCCC(=O)N 34a_100000757172_100009817362 [0,1,0,0,0,0|2,0,1]=4 3037 B12R0.268 CC(=O)CCCCOCCC(=O)N 7a_100000757172_100000735457 [0,1,0,0,0,0|2,0,1]=4 3038 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000053229_100000735457 [0,1,0,0,0,0|2,0,1]=4 3039 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000735457_100000053229 [0,1,0,0,0,0|2,0,1]=4 3040 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000735457_100000744528 [0,1,0,0,0,0|2,0,1]=4 3041 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000744528_100000735457 [0,1,0,0,0,0|2,0,1]=4 3042 B12R0.268 CC(=O)CCCNCCCC(=O)N 34a_100000739312_100000685027 [0,1,0,0,0,0|2,0,1]=4 3043 B12R0.268 CC(=O)CCCOCCCC(=O)C 34a_100000759063_100000685027 [0,1,0,0,0,0|2,0,1]=4 3044 B12R0.268 CC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215641 [0,1,0,0,0,0|2,0,1]=4 3045 B12R0.268 CC(=O)CCCOCCCC(=O)N 34a_100000759063_100102525003 [0,1,0,0,0,0|2,0,1]=4 3046 B12R0.268 CC(=O)CCCOCCCC(=O)N 7a_100000759063_100102525003 [0,1,0,0,0,0|2,0,1]=4 3047 B12R0.268 CC(=O)CCCSCCCC(=O)C 62a_100011215641_100011215641 [0,1,0,0,0,0|2,0,1]=4 3048 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100011215641_100102525003 [0,1,0,0,0,0|2,0,1]=4 3049 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100102525003_100011215641 [0,1,0,0,0,0|2,0,1]=4 3050 B12R0.268 CC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000053229 [0,1,0,0,0,0|2,0,1]=4 3051 B12R0.268 CC(=O)CCOCCCCC(=O)N 7a_100012022536_100000053229 [0,1,0,0,0,0|2,0,1]=4 3052 B12R0.268 CC(=O)COCCCCCC(=O)N 34a_100000211253_100009817443 [0,1,0,0,0,0|2,0,1]=4 3053 B12R0.268 CC(=O)OCCCCNCC(=O)O 269956a_100016091260_100000033659 [0,1,0,0,0,0|2,0,1]=4 3054 B12R0.268 CC(=O)SCCCCNCC(=O)O 269956a_100016091260_200010402107 [0,1,0,0,0,0|2,0,1]=4 3055 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,1,0,0,0,0|1,0,2]=4 3056 B12R0.268 NC(=O)CCCCCNCC(=O)N 2230a_100000711301_100009817443 [0,1,0,0,0,0|3,0,0]=4 3057 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [0,1,0,0,0,0|2,0,0]=3 3058 B12R0.268 NC(=O)CCCCCOCC(=O)N 34a_100000123541_100000187820 [0,1,0,0,0,0|3,0,0]=4 3059 B12R0.268 NC(=O)CCCCCOCC(=O)N 7a_100000123541_100000187820 [0,1,0,0,0,0|3,0,0]=4 3060 B12R0.268 NC(=O)CCCCCOCC(=O)[O-] 34a_100000123541_100020667443 [0,1,0,0,0,0|2,0,1]=4 3061 B12R0.268 NC(=O)CCCCCSCC(=O)N 62a_100000747473_100009817443 [0,1,0,0,0,0|3,0,0]=4 3062 B12R0.268 NC(=O)CCCCCSCC(=O)N 62a_100009817443_100000747473 [0,1,0,0,0,0|3,0,0]=4 3063 B12R0.268 NC(=O)CCCCCSCC(=O)[O-] 62a_100009817443_100020667443 [0,1,0,0,0,0|2,0,1]=4 3064 B12R0.268 NC(=O)CCCCCSCC(=O)[O-] 62a_100020667443_100009817443 [0,1,0,0,0,0|2,0,1]=4 3065 B12R0.268 NC(=O)CCCCNCCC(=O)N 34a_100000696515_100000731001 [0,1,0,0,0,0|3,0,0]=4 3066 B12R0.268 NC(=O)CCCCOCCC(=O)N 34a_100012022536_100000731001 [0,1,0,0,0,0|3,0,0]=4 3067 B12R0.268 NC(=O)CCCCOCCC(=O)N 7a_100012022536_100000744528 [0,1,0,0,0,0|3,0,0]=4 3068 B12R0.268 NC(=O)CCCNCCCC(=O)N 34a_100000739312_100102525003 [0,1,0,0,0,0|3,0,0]=4 3069 B12R0.268 NC(=O)CCCSCCCC(=O)N 62a_100102525003_100102525003 [0,1,0,0,0,0|3,0,0]=4 3070 B12R0.268 NC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000744528 [0,1,0,0,0,0|3,0,0]=4 3071 B12R0.268 NC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000187820 [0,1,0,0,0,0|2,0,1]=4 3072 B12R0.268 O=C(O)CNCCCCCB(O)O 269956a_100016091260_200009817188 [0,1,0,0,0,0|3,0,0]=4 3073 B12R0.277 C=CCC(=O)CCCCCB(O)O 1458a_100000210193_200009817188 [0,1,0,0,0,0|1,0,2]=4 3074 B12R0.277 C=CCC(=O)CCCCCC(=O)N 1458a_100000210193_100009817443 [0,1,0,0,0,0|1,0,1]=3 3075 B12R0.277 C=CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210623 [0,1,0,0,0,0|1,0,2]=4 3076 B12R0.277 C=CCC(=O)CCCCOC(=O)C 1458a_100000210193_100000033659 [0,1,0,0,0,0|2,0,1]=4 3077 B12R0.277 C=CCC(=O)CCCCSC(=O)C 1458a_100000210193_200010402107 [0,1,0,0,0,0|2,0,1]=4 3078 B12R0.277 C=CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210193 [0,1,0,0,0,0|2,0,1]=4 3079 B12R0.277 C=CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210193 [0,1,0,0,0,0|2,0,1]=4 3080 B12R0.277 C=CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210193 [0,1,0,0,0,0|2,0,1]=4 3081 B12R0.277 C=CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210193 [0,1,0,0,0,0|2,0,1]=4 3082 B12R0.277 C=CCC(C)COCCCC(=O)C 34a_100009832082_100000685027 [0,1,0,0,0,0|2,0,0]=3 3083 B12R0.277 C=CCC(C)COCCCC(=O)C 7a_100009832082_100011215641 [0,1,0,0,0,0|2,0,0]=3 3084 B12R0.277 C=CCC(C)COCCCC(=O)N 34a_100009832082_100102525003 [0,1,0,0,0,0|2,0,0]=3 3085 B12R0.277 C=CCC(C)COCCCC(=O)N 7a_100009832082_100102525003 [0,1,0,0,0,0|2,0,0]=3 3086 B12R0.277 C=CCC(C)COCCCC(C)O 34a_100009832082_200000718107 [0,1,0,0,0,0|2,0,1]=4 3087 B12R0.277 C=CCC(C)COCCCC(C)O 7a_100009832082_200000718107 [0,1,0,0,0,0|2,0,1]=4 3088 B12R0.277 C=CCC(C)COCCNC(=O)C 7a_100009832082_100000189650 [0,1,0,0,0,0|3,0,0]=4 3089 B12R0.277 C=CCC(C)COCCNC(=O)N 7a_100009832082_200000034859 [0,1,0,0,0,0|3,0,0]=4 3090 B12R0.277 C=CCC(C)COCCOC(=O)C 34a_100009832082_100009814007 [0,1,0,0,0,0|3,0,0]=4 3091 B12R0.277 C=CCC(C)COCCOC(=O)C 7a_100009832082_100009814007 [0,1,0,0,0,0|3,0,0]=4 3092 B12R0.277 C=CCC(C)COCCOC(=O)N 34a_100009832082_200011214921 [0,1,0,0,0,0|3,0,0]=4 3093 B12R0.277 C=CCC(C)COCCOC(=O)N 7a_100009832082_200011214921 [0,1,0,0,0,0|3,0,0]=4 3094 B12R0.277 C=CCN(C)CCCCCB(O)O 2230a_100000225617_200009817188 [0,1,0,0,0,0|2,0,1]=4 3095 B12R0.277 C=CCN(C)CCCCCB(O)O 269982a_100000225617_200009817188 [0,1,0,0,0,0|2,0,1]=4 3096 B12R0.277 C=CCN(C)CCCCCC(=O)N 2230a_100000225617_100009817443 [0,1,0,0,0,0|2,0,0]=3 3097 B12R0.277 C=CCN(C)CCCCCC(=O)N 269982a_100000225617_100009817443 [0,1,0,0,0,0|2,0,0]=3 3098 B12R0.277 C=CCN(C)CCCCOC(=O)C 269982a_100000225617_100000033659 [0,1,0,0,0,0|3,0,0]=4 3099 B12R0.277 C=CCN(C)CCCCSC(=O)C 2230a_100000225617_200010402107 [0,1,0,0,0,0|3,0,0]=4 3100 B12R0.277 C=CCN(C)CCCCSC(=O)C 269982a_100000225617_200010402107 [0,1,0,0,0,0|3,0,0]=4 3101 B12R0.277 C=CC[C@@H](C)OCCCCB(O)O 34a_100000731007_200009817182 [0,1,0,0,0,0|2,0,1]=4 3102 B12R0.277 C=CC[C@@H](C)OCCCCB(O)O 7a_100000731007_200009817182 [0,1,0,0,0,0|2,0,1]=4 3103 B12R0.277 C=CC[C@@H](C)OCCCCC(=O)C 34a_100000731007_100009817362 [0,1,0,0,0,0|2,0,0]=3 3104 B12R0.277 C=CC[C@@H](C)OCCCCC(=O)C 7a_100000731007_100000735457 [0,1,0,0,0,0|2,0,0]=3 3105 B12R0.277 C=CC[C@@H](C)OCCCOC(=O)C 34a_100000731007_100000042594 [0,1,0,0,0,0|3,0,0]=4 3106 B12R0.277 C=CC[C@@H](C)OCCCOC(=O)C 7a_100000731007_100000042594 [0,1,0,0,0,0|3,0,0]=4 3107 B12R0.277 C=CC[C@@H](C)OCCCSC(=O)C 34a_100000731007_100000038929 [0,1,0,0,0,0|3,0,0]=4 3108 B12R0.277 C=CC[C@@H](C)OCCCSC(=O)C 7a_100000731007_100000038929 [0,1,0,0,0,0|3,0,0]=4 3109 B12R0.277 C=CC[C@@H](C)OCCOCC(=O)N 34a_100000731007_100000076697 [0,1,0,0,0,0|3,0,0]=4 3110 B12R0.277 C=CC[C@@H](C)OCCOCC(=O)N 7a_100000731007_100000076697 [0,1,0,0,0,0|3,0,0]=4 3111 B12R0.277 C=CC[C@@H](N)COCCCC(=O)C 34a_100020615467_100000685027 [0,1,0,0,0,0|2,0,0]=3 3112 B12R0.277 C=CC[C@@H](N)COCCCC(=O)N 34a_100020615467_100102525003 [0,1,0,0,0,0|2,0,0]=3 3113 B12R0.277 C=CC[C@@H](N)COCCCC(C)O 34a_100020615467_200000718107 [0,1,0,0,0,0|2,0,1]=4 3114 B12R0.277 C=CC[C@@H](N)COCCOC(=O)C 34a_100020615467_100009814007 [0,1,0,0,0,0|3,0,0]=4 3115 B12R0.277 C=CC[C@@H](N)COCCOC(=O)N 34a_100020615467_200011214921 [0,1,0,0,0,0|3,0,0]=4 3116 B12R1.7 C=CCCCCN1CCC(C1)O 2230a_100011215560_100011215482 [0,0,0,1,0,0|2,0,1]=4 3117 B12R1.7 C=CCCCCN1CCC(C1)O 269982a_100011215560_100011215482 [0,0,0,1,0,0|2,0,1]=4 3118 B12R1.7 C=CCCCCN1CNC(=O)C1 2230a_200000708111_100011215482 [0,0,0,1,0,0|3,0,0]=4 3119 B12R1.7 C=CCCCNC1CCC(C1)O 270004a_100000700776_100012614533 [0,0,0,1,0,0|2,0,1]=4 3120 B12R1.7 C=CCCCNC1CNC(=O)C1 2230a_100000697751_100011713584 [0,0,0,1,0,0|3,0,0]=4 3121 B12R1.7 C=CCCCNC1COC(=O)O1 34a_100000700776_100000032252 [0,0,0,1,0,0|2,0,0]=3 3122 B12R1.7 C=CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011713584 [0,0,0,1,0,0|2,0,1]=4 3123 B12R1.7 C=CCCCOC1CCC(=O)C1 34a_100012614533_100000757094 [0,0,0,1,0,0|2,0,0]=3 3124 B12R1.7 C=CCCCOC1CNC(=O)C1 34a_100000690082_100000757094 [0,0,0,1,0,0|3,0,0]=4 3125 B12R1.7 C=CCCCOC1COC(=O)O1 34a_100000758997_100000032252 [0,0,0,1,0,0|2,0,0]=3 3126 B12R1.7 C=CCCCSC1COC(=O)O1 62a_100011713584_100000032252 [0,0,0,1,0,0|2,0,0]=3 3127 B12R1.7 C=CCCNCC1CNC(=O)C1 2230a_100016993742_100000754431 [0,0,0,1,0,0|3,0,0]=4 3128 B12R1.7 C=CCCNCC1CNC(=O)C1 34a_100016993742_100000754431 [0,0,0,1,0,0|3,0,0]=4 3129 B12R1.7 C=CCCNCC1CNC(=O)O1 2230a_100015191253_100000181169 [0,0,0,1,0,0|2,0,0]=3 3130 B12R1.7 C=CCCNC[C@@H]1CCC(=O)N1 2230a_100015191253_100015189358 [0,0,0,1,0,0|2,0,0]=3 3131 B12R1.7 C=CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000754431 [0,0,0,1,0,0|2,0,0]=3 3132 B12R1.7 C=CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000754431 [0,0,0,1,0,0|2,0,0]=3 3133 B12R1.7 C=CCCNC[C@H]1COC(=O)N1 2230a_100015191253_100015307671 [0,0,0,1,0,0|3,0,0]=4 3134 B12R1.7 C=CCCOCC1CCC(=O)N1 34a_100000737831_100000754431 [0,0,0,1,0,0|2,0,0]=3 3135 B12R1.7 C=CCCOCC1CNC(=O)C1 34a_100016041077_100000754431 [0,0,0,1,0,0|3,0,0]=4 3136 B12R1.7 C=CCCOCC1CNC(=O)O1 34a_100011205117_100000181169 [0,0,0,1,0,0|2,0,0]=3 3137 B12R1.7 C=CCCOCC1CNC(=O)O1 34a_100011315639_100000754431 [0,0,0,1,0,0|2,0,0]=3 3138 B12R1.7 C=CCCOCC1COC(=O)O1 34a_100011205117_100000073702 [0,0,0,1,0,0|2,0,0]=3 3139 B12R1.7 C=CCCOC[C@H]1COC(=O)N1 34a_100011205117_100015307671 [0,0,0,1,0,0|3,0,0]=4 3140 B12R1.7 C=CCCSCC1CNC(=O)O1 62a_100000181169_100000754431 [0,0,0,1,0,0|2,0,0]=3 3141 B12R1.7 C=CCCSCC1CNC(=O)O1 62a_100000754431_100000181169 [0,0,0,1,0,0|2,0,0]=3 3142 B12R1.7 C=CCCSCC1COC(=O)O1 62a_100000073702_100000754431 [0,0,0,1,0,0|2,0,0]=3 3143 B12R1.7 C=CCCSCC1COC(=O)O1 62a_100000754431_100000073702 [0,0,0,1,0,0|2,0,0]=3 3144 B12R1.7 C=CCCSC[C@@H]1CCC(=O)N1 62a_100000754431_100015189358 [0,0,0,1,0,0|2,0,0]=3 3145 B12R1.7 C=CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000754431 [0,0,0,1,0,0|2,0,0]=3 3146 B12R1.7 C=CCCSC[C@H]1COC(=O)N1 62a_100000754431_100015307671 [0,0,0,1,0,0|3,0,0]=4 3147 B12R1.7 C=CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000754431 [0,0,0,1,0,0|3,0,0]=4 3148 B12R1.7 C=CCSCCC1COS(=O)O1 62a_100000210623_100009840081 [0,0,0,1,0,0|3,0,0]=4 3149 B12R1.7 C=COCCOC1CCC(=O)C1 34a_100012614533_100000039644 [0,0,0,1,0,0|3,0,0]=4 3150 B12R1.7 C=COCCOC1COC(=O)O1 34a_100000033082_100000032252 [0,0,0,1,0,0|3,0,0]=4 3151 B12R1.7 C=COCCSC1COC(=O)O1 62a_100000039644_100000032252 [0,0,0,1,0,0|3,0,0]=4 3152 B12R1.7 O=CCCCSC1COC(=O)O1 62a_200011292268_100000032252 [0,0,0,1,0,0|3,0,0]=4 3153 B12R1.28 C=CCCCN1CCCC(C1)O 2230a_100000211013_100011713584 [0,0,0,1,0,0|2,0,1]=4 3154 B12R1.28 C=CCCCN1CCCC(C1)O 269982a_100000211013_100000757094 [0,0,0,1,0,0|2,0,1]=4 3155 B12R1.28 C=CCCCN1CCNC(=O)C1 2230a_100000184651_100011713584 [0,0,0,1,0,0|3,0,0]=4 3156 B12R1.28 C=CCCCN1CCOC(=O)C1 2230a_100000131268_100011713584 [0,0,0,1,0,0|3,0,0]=4 3157 B12R1.28 C=CCCNC1CCCC(C1)O 2230a_100015190357_100000754431 [0,0,0,1,0,0|2,0,1]=4 3158 B12R1.28 C=CCCNC1CCCC(C1)O 270004a_100015191253_100012613340 [0,0,0,1,0,0|2,0,1]=4 3159 B12R1.28 C=CCCNC1CCNC(=O)C1 2230a_100016994916_100000754431 [0,0,0,1,0,0|3,0,0]=4 3160 B12R1.28 C=CCCNC1CCNC(=O)C1 34a_100016994916_100000754431 [0,0,0,1,0,0|3,0,0]=4 3161 B12R1.28 C=CCCOC1C=C(CCC1)C 34a_100011218613_100000754431 [0,0,0,1,0,0|3,0,0]=4 3162 B12R1.28 C=CCCOC1CCCC(=O)C1 34a_100012613340_100000754431 [0,0,0,1,0,0|2,0,0]=3 3163 B12R1.28 C=CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000754431 [0,0,0,1,0,0|3,0,0]=4 3164 B12R1.28 C=CCNCC1CCCC(C1)O 2230a_100011254705_100000210623 [0,0,0,1,0,0|2,0,1]=4 3165 B12R1.28 C=CCOCC1CCCC(=O)N1 34a_200000102386_100015514636 [0,0,0,1,0,0|2,0,0]=3 3166 B12R1.28 C=CCOCC1CCNC(=O)C1 34a_100009886756_100015514636 [0,0,0,1,0,0|3,0,0]=4 3167 B12R1.28 C=CCOCC1COCC(=O)N1 34a_200000101122_100015514636 [0,0,0,1,0,0|3,0,0]=4 3168 B12R1.28 O=CCOCC1CCCC(=O)N1 34a_200000102386_200009817547 [0,0,0,1,0,0|3,0,0]=4 3169 B12R1.62 C=CCCCCCN1CC(C1)O 269982a_100000749847_100000700193 [0,0,0,1,0,0|2,0,1]=4 3170 B12R1.62 C=CCCCCNC1CC(=C)C1 2230a_100132301982_100011215482 [0,0,0,1,0,0|3,0,0]=4 3171 B12R1.62 C=CCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215482 [0,0,0,1,0,0|2,0,1]=4 3172 B12R1.62 C=CCCCCSC1CC(=O)C1 62a_100009894365_100011215482 [0,0,0,1,0,0|2,0,0]=3 3173 B12R1.62 C=CCCCNCC1CC(=C)C1 2230a_100102567296_100011713584 [0,0,0,1,0,0|3,0,0]=4 3174 B12R1.62 C=CCCCNCC1CC(=C)C1 34a_100102567296_100000757094 [0,0,0,1,0,0|3,0,0]=4 3175 B12R1.62 C=CCCCNCC1CC(=O)C1 2230a_100000700776_100009874392 [0,0,0,1,0,0|2,0,0]=3 3176 B12R1.62 C=CCCCNCC1CC(C1)O 2230a_100016992100_100011713584 [0,0,0,1,0,0|2,0,1]=4 3177 B12R1.62 C=CCCCOCC1CC(=C)C1 34a_100011011225_100000757094 [0,0,0,1,0,0|3,0,0]=4 3178 B12R1.62 C=CCCCOCC1CC(=O)C1 34a_100000101936_100000757094 [0,0,0,1,0,0|2,0,0]=3 3179 B12R1.62 C=CCCCOCC1CC(=O)C1 7a_100000758997_100009874392 [0,0,0,1,0,0|2,0,0]=3 3180 B12R1.62 C=CCCCSCC1CC(=O)C1 62a_100009874392_100000757094 [0,0,0,1,0,0|2,0,0]=3 3181 B12R1.62 C=CCCCSCC1CC(=O)C1 62a_100011713584_100009874392 [0,0,0,1,0,0|2,0,0]=3 3182 B12R1.62 C=COCCOCC1CC(=O)C1 34a_100000101936_100000039644 [0,0,0,1,0,0|3,0,0]=4 3183 B12R1.62 C=COCCSCC1CC(=O)C1 62a_100000039644_100009874392 [0,0,0,1,0,0|3,0,0]=4 3184 B12R1.62 C=COCCSCC1CC(=O)C1 62a_100009874392_100000039644 [0,0,0,1,0,0|3,0,0]=4 3185 B12R1.62 O=CCCCCSC1CC(=O)C1 62a_100009894365_100000139335 [0,0,0,1,0,0|3,0,0]=4 3186 B12R1.62 O=CCCCSCC1CC(=O)C1 62a_100009874392_200011292268 [0,0,0,1,0,0|3,0,0]=4 3187 B12R1.62 O=CCCCSCC1CC(=O)C1 62a_200011292268_100009874392 [0,0,0,1,0,0|3,0,0]=4 3188 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,0,0,1,0,0|2,0,1]=4 3189 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,0,0,1,0,0|2,0,1]=4 3190 B12R1.125 CC(=O)CCN1CCCCC1=O 1458a_100011236303_200000210301 [0,0,0,1,0,0|3,0,0]=4 3191 B12R1.125 CC(=O)COC1CCCCC1=O 34a_100000211253_100000754470 [0,0,0,1,0,0|3,0,0]=4 3192 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,0,0,1,0,0|1,0,1]=3 3193 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,0,0,1,0,0|2,0,1]=4 3194 B12R1.125 NC(=O)COC1CCCCC1=O 34a_100011214950_100000187820 [0,0,0,1,0,0|3,0,0]=4 3195 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000204591_100000747473 [0,0,0,1,0,0|3,0,0]=4 3196 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000747473_100000204591 [0,0,0,1,0,0|3,0,0]=4 3197 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [0,0,0,1,0,0|2,0,0]=3 3198 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [0,0,0,1,0,0|2,0,1]=4 3199 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,0,0,1,0,0|2,0,1]=4 3200 B12R1.125 O=C(O)CNC1CCCNC1=O 269956a_100016091260_100000687798 [0,0,0,1,0,0|3,0,0]=4 3201 B12R1.125 O=C(O)CNC1COCCC1=O 269956a_100016091260_100012180262 [0,0,0,1,0,0|3,0,0]=4 3202 B12R1.125 O=C([O-])COC1CCCCC1=O 34a_100011214950_100020667443 [0,0,0,1,0,0|2,0,1]=4 3203 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100000204591_100020667443 [0,0,0,1,0,0|2,0,1]=4 3204 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100020667443_100000204591 [0,0,0,1,0,0|2,0,1]=4 3205 B12R1.125 [13CH3]C(=O)CCN1CCCCC1=O 1458a_100011236303_200025704644 [0,0,0,1,0,0|3,0,0]=4 3206 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,0,0,1,0,0|1,0,1]=3 3207 B12R1.130 CC(=O)CCOC1CCCC1=O 34a_100000759926_100000709159 [0,0,0,1,0,0|3,0,0]=4 3208 B12R1.130 CC(=O)CCOC1CCCC1=O 7a_100000759926_100000211823 [0,0,0,1,0,0|3,0,0]=4 3209 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000053229_100000211823 [0,0,0,1,0,0|3,0,0]=4 3210 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000211823_100000053229 [0,0,0,1,0,0|3,0,0]=4 3211 B12R1.130 NC(=O)CCOC1CCCC1=O 34a_100000757172_100000709159 [0,0,0,1,0,0|3,0,0]=4 3212 B12R1.130 NC(=O)CCOC1CCCC1=O 34a_200000719330_100000731001 [0,0,0,1,0,0|3,0,0]=4 3213 B12R1.130 NC(=O)CCOC1CCCC1=O 7a_100000757172_100000211823 [0,0,0,1,0,0|3,0,0]=4 3214 B12R1.130 NC(=O)CCSC1CCCC1=O 62a_100000211823_100000744528 [0,0,0,1,0,0|3,0,0]=4 3215 B12R1.130 NC(=O)CCSC1CCCC1=O 62a_100000744528_100000211823 [0,0,0,1,0,0|3,0,0]=4 3216 B12R1.130 O=C(O)CNCN1CCCC1=O 269956a_100016091260_100000026320 [0,0,0,1,0,0|3,0,0]=4 3217 B12R1.130 O=C(O)CONC1CCCC1=O 269956a_100000106656_100000211823 [0,0,0,1,0,0|3,0,0]=4 3218 B12R1.210 CC(=O)CN1CCCCCC1=O 1458a_100000181294_200000210301 [0,0,0,1,0,0|3,0,0]=4 3219 B12R1.210 [13CH3]C(=O)CN1CCCCCC1=O 1458a_100000181294_200025704644 [0,0,0,1,0,0|3,0,0]=4 3220 B12R1.229 CC(=O)CCCOC1CCC1=O 34a_100000759063_100009892977 [0,0,0,1,0,0|3,0,0]=4 3221 B12R1.229 CC(=O)CCCOC1CCC1=O 7a_100000759063_100009892977 [0,0,0,1,0,0|3,0,0]=4 3222 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100009892977_100011215641 [0,0,0,1,0,0|3,0,0]=4 3223 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100011215641_100009892977 [0,0,0,1,0,0|3,0,0]=4 3224 B12R1.229 NC(=O)CCCNC1CCC1=O 34a_100000739312_100009892977 [0,0,0,1,0,0|3,0,0]=4 3225 B12R1.229 NC(=O)CCCSC1CCC1=O 62a_100009892977_100102525003 [0,0,0,1,0,0|3,0,0]=4 3226 B12R1.229 NC(=O)CCCSC1CCC1=O 62a_100102525003_100009892977 [0,0,0,1,0,0|3,0,0]=4 3227 B12R1.229 NC(=O)CNCCC1CCC1=O 2230a_100000711301_200016118888 [0,0,0,1,0,0|3,0,0]=4 3228 B12R1.229 NC(=O)CSCCC1CCC1=O 62a_100000747473_200016118888 [0,0,0,1,0,0|3,0,0]=4 3229 B12R1.229 NC(=O)CSCCC1CCC1=O 62a_200016118888_100000747473 [0,0,0,1,0,0|3,0,0]=4 3230 B12R1.229 O=C(O)CNCCC1CCC1=O 269956a_100016091260_200016118888 [0,0,0,1,0,0|2,0,0]=3 3231 B12R1.229 O=C([O-])CSCCC1CCC1=O 62a_100020667443_200016118888 [0,0,0,1,0,0|2,0,1]=4 3232 B12R1.229 O=C([O-])CSCCC1CCC1=O 62a_200016118888_100020667443 [0,0,0,1,0,0|2,0,1]=4 3233 B12R1.252 C=C(C)CCOC1C=CCCC1 34a_100011215024_100000730704 [0,0,0,1,0,0|3,0,0]=4 3234 B12R1.252 C=C(C)CCSC1C=CCCC1 62a_100000730704_100000751183 [0,0,0,1,0,0|3,0,0]=4 3235 B12R1.252 C=C(C)CCSC1C=CCCC1 62a_100000751183_100000730704 [0,0,0,1,0,0|3,0,0]=4 3236 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,0,0,1,0,0|1,0,2]=4 3237 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,0,0,1,0,0|1,0,2]=4 3238 B12R1.252 CC(=O)CCOC1C=CCCC1 7a_100000759926_100000751183 [0,0,0,1,0,0|2,0,0]=3 3239 B12R1.252 CC(=O)CCSC1C=CCCC1 62a_100000053229_100000751183 [0,0,0,1,0,0|2,0,0]=3 3240 B12R1.252 CC(=O)CCSC1C=CCCC1 62a_100000751183_100000053229 [0,0,0,1,0,0|2,0,0]=3 3241 B12R1.252 CC(=O)OCOC1C=CCCC1 34a_100011215024_100009813279 [0,0,0,1,0,0|3,0,0]=4 3242 B12R1.252 CC(=O)OCSC1C=CCCC1 62a_100000076356_100000751183 [0,0,0,1,0,0|3,0,0]=4 3243 B12R1.252 CC(=O)OCSC1C=CCCC1 62a_100000751183_100000076356 [0,0,0,1,0,0|3,0,0]=4 3244 B12R1.252 CC(O)CCNC1C=CCCC1 2230a_200000755665_100000751183 [0,0,0,1,0,0|2,0,1]=4 3245 B12R1.252 CC(O)CCOC1C=CCCC1 34a_100011215024_100012276601 [0,0,0,1,0,0|2,0,1]=4 3246 B12R1.252 CC(O)CCSC1C=CCCC1 62a_100000751183_100012276601 [0,0,0,1,0,0|2,0,1]=4 3247 B12R1.252 CC(O)CCSC1C=CCCC1 62a_100012276601_100000751183 [0,0,0,1,0,0|2,0,1]=4 3248 B12R1.252 NC(=O)CCOC1C=CCCC1 34a_100011215024_100000731001 [0,0,0,1,0,0|2,0,0]=3 3249 B12R1.252 NC(=O)CCOC1C=CCCC1 7a_100000757172_100000751183 [0,0,0,1,0,0|2,0,0]=3 3250 B12R1.252 NC(=O)CCSC1C=CCCC1 62a_100000744528_100000751183 [0,0,0,1,0,0|2,0,0]=3 3251 B12R1.252 NC(=O)CCSC1C=CCCC1 62a_100000751183_100000744528 [0,0,0,1,0,0|2,0,0]=3 3252 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,0,0,1,0,0|1,0,2]=4 3253 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [0,0,0,1,0,0|2,0,1]=4 3254 B12R1.252 O=C(O)CNCC1CCCOC1 269956a_100016091260_100000741521 [0,0,0,1,0,0|2,0,1]=4 3255 B12R1.252 O=C(O)CONC1C=CCCC1 269956a_100000106656_100000751183 [0,0,0,1,0,0|2,0,0]=3 3256 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,0,0,1,0,0|1,0,2]=4 3257 B12R1.255 CC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200000210301 [0,0,0,1,0,0|3,0,0]=4 3258 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,0,0,1,0,0|1,0,2]=4 3259 B12R1.255 [13CH3]C(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200025704644 [0,0,0,1,0,0|3,0,0]=4 3260 B12R1.283 C#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000184674 [0,0,0,1,0,0|1,0,2]=4 3261 B12R1.283 C=CCC1CCCCC1N(C)C 270004a_100102631434_100011214939 [0,0,0,1,0,0|3,0,0]=4 3262 B12R1.283 C=CCN1CCCCC1C(=O)N 2230a_100000181395_100000210623 [0,0,0,1,0,0|2,0,0]=3 3263 B12R1.283 C=CCN1CCCCC1C(=O)N 269982a_100000181395_100000210623 [0,0,0,1,0,0|2,0,0]=3 3264 B12R1.283 C=CCN1CCCCC1C(=O)N 34a_100000181395_100015514636 [0,0,0,1,0,0|2,0,0]=3 3265 B12R1.283 C=CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210623 [0,0,0,1,0,0|1,0,0]=2 3266 B12R1.283 C=CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210623 [0,0,0,1,0,0|2,0,0]=3 3267 B12R1.283 C=CCN1CCSCC1C(=O)O 269956a_100011346106_100000210623 [0,0,0,1,0,0|2,0,0]=3 3268 B12R1.283 C=CCN1CSCCC1C(=O)O 269956a_100015185162_100000210623 [0,0,0,1,0,0|2,0,0]=3 3269 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,0,0,1,0,0|1,0,2]=4 3270 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,0,0,1,0,0|1,0,2]=4 3271 B12R1.283 COCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000766300 [0,0,0,1,0,0|2,0,1]=4 3272 B12R1.283 CSCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218213 [0,0,0,1,0,0|2,0,1]=4 3273 B12R1.283 N#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215382 [0,0,0,1,0,0|2,0,1]=4 3274 B12R1.283 NC(=O)C1CCCCN1CC=O 2230a_100000181395_200015260668 [0,0,0,1,0,0|3,0,0]=4 3275 B12R1.283 NC(=O)C1CCCCN1CC=O 269982a_100000181395_200015260668 [0,0,0,1,0,0|3,0,0]=4 3276 B12R1.283 NC(=O)C1CCCCN1CC=O 34a_100000181395_200009817547 [0,0,0,1,0,0|3,0,0]=4 3277 B12R1.283 O=C(O)[C@@H]1CCCC[C@H]1NCF 269956a_100009816435_100015361967 [0,0,0,1,0,0|2,0,1]=4 3278 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 269956a_100000763471_100011217306 [0,0,0,1,0,0|2,0,1]=4 3279 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 269956a_100000763471_100000211926 [0,0,0,1,0,0|2,0,1]=4 3280 B12R1.283 O=CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200015260668 [0,0,0,1,0,0|2,0,0]=3 3281 B12R1.283 O=CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200015260668 [0,0,0,1,0,0|3,0,0]=4 3282 B12R1.283 O=CCN1CCSCC1C(=O)O 269956a_100011346106_200015260668 [0,0,0,1,0,0|3,0,0]=4 3283 B12R1.283 O=CCN1CSCCC1C(=O)O 269956a_100015185162_200015260668 [0,0,0,1,0,0|3,0,0]=4 3284 B12R1.321 C=CCCN1CCCCC(C1)O 2230a_100025706797_100000754431 [0,0,0,1,0,0|2,0,1]=4 3285 B12R1.321 C=CCCN1CCCCC(C1)O 269982a_100025706797_100000754431 [0,0,0,1,0,0|2,0,1]=4 3286 B12R1.321 C=CCCN1CCCNC(=O)C1 2230a_100015190381_100000754431 [0,0,0,1,0,0|3,0,0]=4 3287 B12R1.375 C=CCCCCCOCC1CO1 34a_100011216702_102125554688 [0,0,0,1,0,0|2,0,1]=4 3288 B12R1.375 C=CCCCCCOCC1CO1 7a_100011216702_102125554688 [0,0,0,1,0,0|2,0,1]=4 3289 B12R1.375 C=CCCCCCOC[C@@H]1CO1 34a_100000757423_100000700193 [0,0,0,1,0,0|2,0,1]=4 3290 B12R1.375 C=CCCCCCOC[C@@H]1CO1 7a_100011216702_100000745022 [0,0,0,1,0,0|2,0,1]=4 3291 B12R1.375 C=CCCCCCSCC1CO1 62a_100000700193_102125554688 [0,0,0,1,0,0|2,0,1]=4 3292 B12R1.375 C=CCCCCCSCC1CO1 62a_102125554688_100000700193 [0,0,0,1,0,0|2,0,1]=4 3293 B12R1.375 C=CCCCCCSC[C@@H]1CO1 62a_100000700193_100000745022 [0,0,0,1,0,0|2,0,1]=4 3294 B12R1.375 C=CCCCCCSC[C@@H]1CO1 62a_100000745022_100000700193 [0,0,0,1,0,0|2,0,1]=4 3295 B12R1.375 C=CCCCCNCCC1CO1 2230a_100000703577_100000732470 [0,0,0,1,0,0|2,0,1]=4 3296 B12R1.375 C=CCCCCNCCC1CO1 34a_100000703577_100000732470 [0,0,0,1,0,0|2,0,1]=4 3297 B12R1.375 C=CCCCCOCCC1CO1 34a_100000766645_100000732470 [0,0,0,1,0,0|2,0,1]=4 3298 B12R1.375 C=CCCCCOCCC1CO1 7a_100000766645_100000732470 [0,0,0,1,0,0|2,0,1]=4 3299 B12R1.375 C=CCCCCOCC[C@@H]1CO1 34a_100009820653_100011215482 [0,0,0,1,0,0|2,0,1]=4 3300 B12R1.375 C=CCCCCSCCC1CO1 62a_100000732470_100011215482 [0,0,0,1,0,0|2,0,1]=4 3301 B12R1.375 C=CCCCCSCCC1CO1 62a_100011215482_100000732470 [0,0,0,1,0,0|2,0,1]=4 3302 B12R1.375 C=CCCCNCCCC1CO1 2230a_100000700776_100000733510 [0,0,0,1,0,0|2,0,1]=4 3303 B12R1.375 C=CCCCNCCCC1CO1 34a_100000700776_100000733510 [0,0,0,1,0,0|2,0,1]=4 3304 B12R1.375 C=CCCCOCCCC1CO1 34a_100000758997_100000733510 [0,0,0,1,0,0|2,0,1]=4 3305 B12R1.375 C=CCCCOCCCC1CO1 7a_100000758997_100000733510 [0,0,0,1,0,0|2,0,1]=4 3306 B12R1.375 C=CCCCSCCCC1CO1 62a_100000733510_100000757094 [0,0,0,1,0,0|2,0,1]=4 3307 B12R1.375 C=CCCCSCCCC1CO1 62a_100011713584_100000733510 [0,0,0,1,0,0|2,0,1]=4 3308 B12R1.386 C#CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000688953 [0,0,0,1,0,0|1,0,2]=4 3309 B12R1.386 C/C=C/CN1CCC[C@H]1C(=O)O 269956a_100000743916_100102629194 [0,0,0,1,0,0|1,0,2]=4 3310 B12R1.386 C=CCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000754431 [0,0,0,1,0,0|1,0,2]=4 3311 B12R1.386 C=CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000754431 [0,0,0,1,0,0|2,0,0]=3 3312 B12R1.386 C=CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000754431 [0,0,0,1,0,0|1,0,0]=2 3313 B12R1.386 C=CCCN1CCSC1C(=O)O 269956a_100000035718_100000754431 [0,0,0,1,0,0|2,0,0]=3 3314 B12R1.386 C=CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000754431 [0,0,0,1,0,0|2,0,0]=3 3315 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,0,0,1,0,0|1,0,2]=4 3316 B12R1.386 COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000233755 [0,0,0,1,0,0|2,0,1]=4 3317 B12R1.386 CSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000212216 [0,0,0,1,0,0|2,0,1]=4 3318 B12R1.386 N#CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215226 [0,0,0,1,0,0|2,0,1]=4 3319 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF 269956a_100000743916_100011934791 [0,0,0,1,0,0|2,0,1]=4 3320 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 269956a_100000743916_100011215043 [0,0,0,1,0,0|2,0,1]=4 3321 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,0,0,1,0,0|1,0,2]=4 3322 B12R1.405 O=C(O)C1CCCCCN1CF 269956a_100000758484_100015361967 [0,0,0,1,0,0|2,0,1]=4 3323 B12R1.459 C=CCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000754431 [0,0,0,1,0,0|2,0,1]=4 3324 B12R1.459 C=CCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000754431 [0,0,0,1,0,0|2,0,1]=4 3325 B12R1.522 C#CCCCN1CCC1C(=O)O 269956a_100000021838_100011215417 [0,0,0,1,0,0|1,0,2]=4 3326 B12R1.522 C=CCCCN1CCC1C(=O)O 269956a_100000021838_100011713584 [0,0,0,1,0,0|1,0,0]=2 3327 B12R1.522 C=COCCN1CCC1C(=O)O 269956a_100000021838_100000039644 [0,0,0,1,0,0|2,0,0]=3 3328 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [0,0,0,1,0,0|1,0,2]=4 3329 B12R1.522 COCCCN1CCC1C(=O)O 269956a_100000021838_100000740836 [0,0,0,1,0,0|2,0,1]=4 3330 B12R1.522 N#CCCCN1CCC1C(=O)O 269956a_100000021838_100000687738 [0,0,0,1,0,0|2,0,1]=4 3331 B12R1.522 O=C(O)C1CCN1CCCCF 269956a_100000021838_100000729493 [0,0,0,1,0,0|2,0,1]=4 3332 B12R1.522 O=C(O)C1CCN1CCCCO 269956a_100000021838_100000210776 [0,0,0,1,0,0|2,0,1]=4 3333 B12R1.522 O=CCCCN1CCC1C(=O)O 269956a_100000021838_200011292268 [0,0,0,1,0,0|2,0,0]=3 3334 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,0,0,1,0,0|1,0,2]=4 3335 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [2,0,0,0,0,0|1,0,0]=3 3336 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [2,0,0,0,0,0|1,0,0]=3 3337 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [2,0,0,0,0,0|1,0,0]=3 3338 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [2,0,0,0,0,0|2,0,0]=4 3339 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [2,0,0,0,0,0|2,0,0]=4 3340 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [2,0,0,0,0,0|2,0,0]=4 3341 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [2,0,0,0,0,0|2,0,0]=4 3342 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [2,0,0,0,0,0|2,0,0]=4 3343 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [2,0,0,0,0,0|2,0,0]=4 3344 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [2,0,0,0,0,0|2,0,0]=4 3345 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [2,0,0,0,0,0|1,0,0]=3 3346 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [2,0,0,0,0,0|1,0,1]=4 3347 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [2,0,0,0,0,0|2,0,0]=4 3348 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [2,0,0,0,0,0|2,0,0]=4 3349 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [2,0,0,0,0,0|2,0,0]=4 3350 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [2,0,0,0,0,0|1,0,1]=4 3351 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [2,0,0,0,0,0|2,0,0]=4 3352 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [2,0,0,0,0,0|2,0,0]=4 3353 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [2,0,0,0,0,0|1,0,1]=4 3354 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [2,0,0,0,0,0|1,0,1]=4 3355 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [2,0,0,0,0,0|2,0,0]=4 3356 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [2,0,0,0,0,0|2,0,0]=4 3357 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [2,0,0,0,0,0|2,0,0]=4 3358 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [2,0,0,0,0,0|2,0,0]=4 3359 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [2,0,0,0,0,0|2,0,0]=4 3360 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [2,0,0,0,0,0|2,0,0]=4 3361 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [2,0,0,0,0,0|2,0,0]=4 3362 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [2,0,0,0,0,0|2,0,0]=4 3363 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [2,0,0,0,0,0|2,0,0]=4 3364 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [2,0,0,0,0,0|2,0,0]=4 3365 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [2,0,0,0,0,0|2,0,0]=4 3366 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [2,0,0,0,0,0|2,0,0]=4 3367 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [2,0,0,0,0,0|2,0,0]=4 3368 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [2,0,0,0,0,0|2,0,0]=4 3369 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [2,0,0,0,0,0|2,0,0]=4 3370 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [2,0,0,0,0,0|2,0,0]=4 3371 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [2,0,0,0,0,0|2,0,0]=4 3372 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [2,0,0,0,0,0|2,0,0]=4 3373 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [2,0,0,0,0,0|2,0,0]=4 3374 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [2,0,0,0,0,0|2,0,0]=4 3375 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [2,0,0,0,0,0|2,0,0]=4 3376 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|2,0,0]=4 3377 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|2,0,0]=4 3378 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|2,0,0]=4 3379 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|1,0,0]=3 3380 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|1,0,0]=3 3381 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|1,0,0]=3 3382 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 3383 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 3384 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 3385 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|2,0,0]=4 3386 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [2,0,0,0,0,0|2,0,0]=4 3387 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [2,0,0,0,0,0|2,0,0]=4 3388 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|1,0,0]=3 3389 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|2,0,0]=4 3390 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 3391 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 3392 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [2,0,0,0,0,0|1,0,1]=4 3393 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [2,0,0,0,0,0|2,0,0]=4 3394 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [2,0,0,0,0,0|2,0,0]=4 3395 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [2,0,0,0,0,0|1,0,1]=4 3396 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [2,0,0,0,0,0|1,0,1]=4 3397 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|2,0,0]=4 3398 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [2,0,0,0,0,0|2,0,0]=4 3399 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [2,0,0,0,0,0|2,0,0]=4 3400 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [2,0,0,0,0,0|2,0,0]=4 3401 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|2,0,0]=4 3402 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|2,0,0]=4 3403 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|2,0,0]=4 3404 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|2,0,0]=4 3405 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|2,0,0]=4 3406 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|2,0,0]=4 3407 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|2,0,0]=4 3408 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|2,0,0]=4 3409 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|2,0,0]=4 3410 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|2,0,0]=4 3411 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [2,0,0,0,0,0|2,0,0]=4 3412 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [2,0,0,0,0,0|2,0,0]=4 3413 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [2,0,0,0,0,0|2,0,0]=4 3414 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|2,0,0]=4 3415 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 3416 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 3417 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [2,0,0,0,0,0|2,0,0]=4 3418 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|2,0,0]=4 3419 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|2,0,0]=4 3420 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [2,0,0,0,0,0|2,0,0]=4 3421 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [2,0,0,0,0,0|2,0,0]=4 3422 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [2,0,0,0,0,0|2,0,0]=4 3423 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [2,0,0,0,0,0|2,0,0]=4 3424 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|2,0,0]=4 3425 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 3426 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 3427 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [2,0,0,0,0,0|2,0,0]=4 3428 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|2,0,0]=4 3429 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|2,0,0]=4 3430 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [2,0,0,0,0,0|2,0,0]=4 3431 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 3432 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [2,0,0,0,0,0|2,0,0]=4 3433 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 3434 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|2,0,0]=4 3435 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 3436 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [2,0,0,0,0,0|2,0,0]=4 3437 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 3438 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|2,0,0]=4 3439 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 3440 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [2,0,0,0,0,0|2,0,0]=4 3441 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [2,0,0,0,0,0|2,0,0]=4 3442 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [2,0,0,0,0,0|2,0,0]=4 3443 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [2,0,0,0,0,0|2,0,0]=4 3444 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [2,0,0,0,0,0|2,0,0]=4 3445 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [2,0,0,0,0,0|2,0,0]=4 3446 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|2,0,0]=4 3447 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 3448 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 3449 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 3450 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [2,0,0,0,0,0|2,0,0]=4 3451 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [2,0,0,0,0,0|2,0,0]=4 3452 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 3453 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [2,0,0,0,0,0|1,0,1]=4 3454 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 3455 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|1,0,1]=4 3456 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 3457 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 3458 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 3459 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 3460 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [2,0,0,0,0,0|1,0,1]=4 3461 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [2,0,0,0,0,0|1,0,1]=4 3462 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [2,0,0,0,0,0|1,0,1]=4 3463 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [2,0,0,0,0,0|1,0,1]=4 3464 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [2,0,0,0,0,0|1,0,1]=4 3465 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 3466 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|1,0,1]=4 3467 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 3468 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [2,0,0,0,0,0|2,0,0]=4 3469 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [2,0,0,0,0,0|2,0,0]=4 3470 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [2,0,0,0,0,0|1,0,1]=4 3471 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [2,0,0,0,0,0|1,0,1]=4 3472 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [2,0,0,0,0,0|2,0,0]=4 3473 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [2,0,0,0,0,0|2,0,0]=4 3474 B9R0.45 C=CCCCCNCC=C 2230a_100000703577_100000210623 [2,0,0,0,0,0|1,0,1]=4 3475 B9R0.45 C=CCCCCNCC=C 2230a_100020586998_100011215482 [2,0,0,0,0,0|1,0,1]=4 3476 B9R0.45 C=CCCCCNCC=C 34a_100000703577_100015514636 [2,0,0,0,0,0|1,0,1]=4 3477 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [2,0,0,0,0,0|1,0,0]=3 3478 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [2,0,0,0,0,0|1,0,0]=3 3479 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 3480 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 3481 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [2,0,0,0,0,0|2,0,0]=4 3482 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [2,0,0,0,0,0|2,0,0]=4 3483 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [2,0,0,0,0,0|2,0,0]=4 3484 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [2,0,0,0,0,0|1,0,0]=3 3485 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [2,0,0,0,0,0|1,0,0]=3 3486 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [2,0,0,0,0,0|1,0,0]=3 3487 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [2,0,0,0,0,0|1,0,0]=3 3488 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [2,0,0,0,0,0|1,0,1]=4 3489 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [2,0,0,0,0,0|1,0,1]=4 3490 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [2,0,0,0,0,0|1,0,1]=4 3491 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [2,0,0,0,0,0|1,0,0]=3 3492 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [2,0,0,0,0,0|1,0,0]=3 3493 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [2,0,0,0,0,0|2,0,0]=4 3494 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,1]=4 3495 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 3496 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 3497 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [2,0,0,0,0,0|2,0,0]=4 3498 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [2,0,0,0,0,0|2,0,0]=4 3499 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [2,0,0,0,0,0|2,0,0]=4 3500 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [2,0,0,0,0,0|1,0,0]=3 3501 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [2,0,0,0,0,0|1,0,0]=3 3502 B9R0.45 C=CCCCCSCC=C 62a_100000210623_100011215482 [2,0,0,0,0,0|1,0,1]=4 3503 B9R0.45 C=CCCCCSCC=C 62a_100011215482_100000210623 [2,0,0,0,0,0|1,0,1]=4 3504 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [2,0,0,0,0,0|1,0,0]=3 3505 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [2,0,0,0,0,0|1,0,0]=3 3506 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [2,0,0,0,0,0|1,0,1]=4 3507 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [2,0,0,0,0,0|1,0,1]=4 3508 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [2,0,0,0,0,0|2,0,0]=4 3509 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [2,0,0,0,0,0|2,0,0]=4 3510 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [2,0,0,0,0,0|1,0,0]=3 3511 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [2,0,0,0,0,0|1,0,0]=3 3512 B9R0.45 C=CCCCNCCC=C 2230a_100000700776_100000754431 [2,0,0,0,0,0|1,0,1]=4 3513 B9R0.45 C=CCCCNCCC=C 2230a_100015191253_100011713584 [2,0,0,0,0,0|1,0,1]=4 3514 B9R0.45 C=CCCCNCCC=C 34a_100000700776_100000754431 [2,0,0,0,0,0|1,0,1]=4 3515 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [2,0,0,0,0,0|1,0,1]=4 3516 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [2,0,0,0,0,0|1,0,1]=4 3517 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [2,0,0,0,0,0|1,0,1]=4 3518 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [2,0,0,0,0,0|1,0,1]=4 3519 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [2,0,0,0,0,0|2,0,0]=4 3520 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [2,0,0,0,0,0|2,0,0]=4 3521 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [2,0,0,0,0,0|2,0,0]=4 3522 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [2,0,0,0,0,0|2,0,0]=4 3523 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [2,0,0,0,0,0|1,0,0]=3 3524 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [2,0,0,0,0,0|1,0,0]=3 3525 B9R0.45 C=CCCCOCCC=C 34a_100000758997_100000754431 [2,0,0,0,0,0|1,0,1]=4 3526 B9R0.45 C=CCCCOCCC=C 34a_100011205117_100000757094 [2,0,0,0,0,0|1,0,1]=4 3527 B9R0.45 C=CCCCOCCC=C 7a_100000758997_100000754431 [2,0,0,0,0,0|1,0,1]=4 3528 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [2,0,0,0,0,0|2,0,0]=4 3529 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 3530 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|1,0,1]=4 3531 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 3532 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|1,0,1]=4 3533 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [2,0,0,0,0,0|2,0,0]=4 3534 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [2,0,0,0,0,0|2,0,0]=4 3535 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [2,0,0,0,0,0|2,0,0]=4 3536 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [2,0,0,0,0,0|2,0,0]=4 3537 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [2,0,0,0,0,0|2,0,0]=4 3538 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [2,0,0,0,0,0|1,0,0]=3 3539 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [2,0,0,0,0,0|1,0,0]=3 3540 B9R0.45 C=CCCCSCCC=C 62a_100000754431_100000757094 [2,0,0,0,0,0|1,0,1]=4 3541 B9R0.45 C=CCCCSCCC=C 62a_100011713584_100000754431 [2,0,0,0,0,0|1,0,1]=4 3542 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [2,0,0,0,0,0|1,0,1]=4 3543 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [2,0,0,0,0,0|1,0,1]=4 3544 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [2,0,0,0,0,0|2,0,0]=4 3545 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [2,0,0,0,0,0|2,0,0]=4 3546 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [2,0,0,0,0,0|1,0,0]=3 3547 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [2,0,0,0,0,0|1,0,0]=3 3548 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [2,0,0,0,0,0|1,0,0]=3 3549 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|1,0,1]=4 3550 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|1,0,1]=4 3551 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [2,0,0,0,0,0|2,0,0]=4 3552 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [2,0,0,0,0,0|1,0,0]=3 3553 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [2,0,0,0,0,0|1,0,0]=3 3554 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [2,0,0,0,0,0|1,0,0]=3 3555 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [2,0,0,0,0,0|2,0,0]=4 3556 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 3557 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,1]=4 3558 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 3559 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [2,0,0,0,0,0|2,0,0]=4 3560 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [2,0,0,0,0,0|2,0,0]=4 3561 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [2,0,0,0,0,0|2,0,0]=4 3562 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [2,0,0,0,0,0|2,0,0]=4 3563 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [2,0,0,0,0,0|2,0,0]=4 3564 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [2,0,0,0,0,0|2,0,0]=4 3565 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [2,0,0,0,0,0|2,0,0]=4 3566 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [2,0,0,0,0,0|1,0,0]=3 3567 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [2,0,0,0,0,0|1,0,0]=3 3568 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [2,0,0,0,0,0|1,0,0]=3 3569 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|1,0,1]=4 3570 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|1,0,1]=4 3571 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [2,0,0,0,0,0|2,0,0]=4 3572 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [2,0,0,0,0,0|2,0,0]=4 3573 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [2,0,0,0,0,0|1,0,0]=3 3574 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [2,0,0,0,0,0|1,0,0]=3 3575 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [2,0,0,0,0,0|1,0,0]=3 3576 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,1]=4 3577 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,1]=4 3578 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [2,0,0,0,0,0|2,0,0]=4 3579 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [2,0,0,0,0,0|1,0,0]=3 3580 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [2,0,0,0,0,0|1,0,0]=3 3581 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [2,0,0,0,0,0|1,0,0]=3 3582 B9R0.45 C=CCNCCOCCO 2230a_100000211614_100000210623 [2,0,0,0,0,0|2,0,0]=4 3583 B9R0.45 C=CCNCCOCCO 2230a_100020586998_100011215305 [2,0,0,0,0,0|2,0,0]=4 3584 B9R0.45 C=CCNCCOCCO 34a_100000211614_100015514636 [2,0,0,0,0,0|2,0,0]=4 3585 B9R0.45 C=CCNCCSCCO 2230a_100011219999_100000210623 [2,0,0,0,0,0|2,0,0]=4 3586 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [2,0,0,0,0,0|2,0,0]=4 3587 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [2,0,0,0,0,0|2,0,0]=4 3588 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 3589 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|1,0,1]=4 3590 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 3591 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [2,0,0,0,0,0|2,0,0]=4 3592 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [2,0,0,0,0,0|2,0,0]=4 3593 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [2,0,0,0,0,0|2,0,0]=4 3594 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [2,0,0,0,0,0|2,0,0]=4 3595 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [2,0,0,0,0,0|2,0,0]=4 3596 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [2,0,0,0,0,0|2,0,0]=4 3597 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [2,0,0,0,0,0|1,0,0]=3 3598 B9R0.45 C=CCOCCOCC=O 34a_100000037705_200009817547 [2,0,0,0,0,0|2,0,0]=4 3599 B9R0.45 C=CCOCCOCC=O 7a_100000037705_200015260668 [2,0,0,0,0,0|2,0,0]=4 3600 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [2,0,0,0,0,0|2,0,0]=4 3601 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [2,0,0,0,0,0|2,0,0]=4 3602 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [2,0,0,0,0,0|2,0,0]=4 3603 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [2,0,0,0,0,0|1,0,0]=3 3604 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [2,0,0,0,0,0|1,0,0]=3 3605 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|1,0,1]=4 3606 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|1,0,1]=4 3607 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [2,0,0,0,0,0|2,0,0]=4 3608 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [2,0,0,0,0,0|2,0,0]=4 3609 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [2,0,0,0,0,0|1,0,0]=3 3610 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [2,0,0,0,0,0|1,0,0]=3 3611 B9R0.45 C=CCSCCOCCO 62a_100000210623_100011215305 [2,0,0,0,0,0|2,0,0]=4 3612 B9R0.45 C=CCSCCOCCO 62a_100011215305_100000210623 [2,0,0,0,0,0|2,0,0]=4 3613 B9R0.45 C=COCCCNCC=O 2230a_100000210767_200015260668 [2,0,0,0,0,0|2,0,0]=4 3614 B9R0.45 C=COCCCNCC=O 34a_100000210767_200009817547 [2,0,0,0,0,0|2,0,0]=4 3615 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [2,0,0,0,0,0|2,0,0]=4 3616 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [2,0,0,0,0,0|2,0,0]=4 3617 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [2,0,0,0,0,0|2,0,0]=4 3618 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [2,0,0,0,0,0|2,0,0]=4 3619 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [2,0,0,0,0,0|2,0,0]=4 3620 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,1]=4 3621 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,1]=4 3622 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,1]=4 3623 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,1]=4 3624 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,1]=4 3625 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|1,0,1]=4 3626 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|1,0,1]=4 3627 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|1,0,1]=4 3628 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|1,0,1]=4 3629 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|1,0,1]=4 3630 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|1,0,1]=4 3631 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|1,0,1]=4 3632 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|1,0,1]=4 3633 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|1,0,1]=4 3634 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|1,0,1]=4 3635 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [2,0,0,0,0,0|1,0,1]=4 3636 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [2,0,0,0,0,0|1,0,1]=4 3637 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [2,0,0,0,0,0|1,0,1]=4 3638 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [2,0,0,0,0,0|1,0,1]=4 3639 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [2,0,0,0,0,0|1,0,1]=4 3640 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [2,0,0,0,0,0|1,0,1]=4 3641 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [2,0,0,0,0,0|1,0,1]=4 3642 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [2,0,0,0,0,0|1,0,1]=4 3643 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 3644 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [2,0,0,0,0,0|2,0,0]=4 3645 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [2,0,0,0,0,0|2,0,0]=4 3646 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [2,0,0,0,0,0|2,0,0]=4 3647 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [2,0,0,0,0,0|2,0,0]=4 3648 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [2,0,0,0,0,0|2,0,0]=4 3649 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [2,0,0,0,0,0|2,0,0]=4 3650 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [2,0,0,0,0,0|2,0,0]=4 3651 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [2,0,0,0,0,0|2,0,0]=4 3652 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [2,0,0,0,0,0|2,0,0]=4 3653 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [2,0,0,0,0,0|2,0,0]=4 3654 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [2,0,0,0,0,0|2,0,0]=4 3655 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [2,0,0,0,0,0|2,0,0]=4 3656 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [2,0,0,0,0,0|2,0,0]=4 3657 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [2,0,0,0,0,0|2,0,0]=4 3658 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [2,0,0,0,0,0|2,0,0]=4 3659 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 3660 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [2,0,0,0,0,0|2,0,0]=4 3661 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [2,0,0,0,0,0|2,0,0]=4 3662 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [2,0,0,0,0,0|2,0,0]=4 3663 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 3664 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [2,0,0,0,0,0|2,0,0]=4 3665 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [2,0,0,0,0,0|2,0,0]=4 3666 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [2,0,0,0,0,0|2,0,0]=4 3667 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [2,0,0,0,0,0|2,0,0]=4 3668 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 3669 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [2,0,0,0,0,0|2,0,0]=4 3670 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [2,0,0,0,0,0|1,0,1]=4 3671 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [2,0,0,0,0,0|1,0,1]=4 3672 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [2,0,0,0,0,0|1,0,1]=4 3673 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [2,0,0,0,0,0|1,0,1]=4 3674 B11R0.2 C=CCCCCC(=O)CC(=O)N 1458a_100011215552_100000187820 [1,1,0,0,0,0|1,0,1]=4 3675 B11R0.2 C=CCCCCC(=O)CC(=O)N 1458a_100134613110_100011215482 [1,1,0,0,0,0|1,0,1]=4 3676 B11R0.2 C=CCCCCC(=O)CC(=O)[O-] 1458a_100011215552_100020667443 [1,1,0,0,0,0|0,0,2]=4 3677 B11R0.2 C=CCCCCN(C)CC(=O)N 2230a_100000739694_100011215482 [1,1,0,0,0,0|2,0,0]=4 3678 B11R0.2 C=CCCCCN(C)CC(=O)N 2230a_100012000471_100000747473 [1,1,0,0,0,0|2,0,0]=4 3679 B11R0.2 C=CCCCCN(C)CC(=O)N 269982a_100012000471_100000187820 [1,1,0,0,0,0|2,0,0]=4 3680 B11R0.2 C=CCCCCN(C)CC(=O)O 269956a_100000746989_100011215482 [1,1,0,0,0,0|1,0,0]=3 3681 B11R0.2 C=CCCCCN(C)CC(=O)[O-] 269982a_100012000471_100020667443 [1,1,0,0,0,0|1,0,1]=4 3682 B11R0.2 C=CCCNCC(O)CC(=O)O 269956a_100011218706_100000754431 [1,1,0,0,0,0|1,0,0]=3 3683 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [1,1,0,0,0,0|1,0,1]=4 3684 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [1,1,0,0,0,0|1,0,1]=4 3685 B11R0.2 CN(CCCCC=O)CC(=O)O 269956a_100000746989_100000139335 [1,1,0,0,0,0|2,0,0]=4 3686 B11R0.2 CN(CCCCCF)CC(=O)O 269956a_100000746989_100000729378 [1,1,0,0,0,0|2,0,0]=4 3687 B11R0.2 CN(CCCCCO)CC(=O)O 269956a_100000746989_100000746330 [1,1,0,0,0,0|2,0,0]=4 3688 B11R0.2 O=C(O)CC(O)CNCCCF 269956a_100011218706_100011934791 [1,1,0,0,0,0|2,0,0]=4 3689 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [1,1,0,0,0,0|2,0,0]=4 3690 B11R0.30 C=C(Br)CCOCCCC(=O)C 34a_100009813270_100000685027 [1,1,0,0,0,0|2,0,0]=4 3691 B11R0.30 C=C(Br)CCOCCCC(=O)N 34a_100009813270_100102525003 [1,1,0,0,0,0|2,0,0]=4 3692 B11R0.30 C=C(C)CCNCCCC(=O)N 34a_100000739312_100000730704 [1,1,0,0,0,0|2,0,0]=4 3693 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [1,1,0,0,0,0|2,0,0]=4 3694 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [1,1,0,0,0,0|2,0,0]=4 3695 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [1,1,0,0,0,0|2,0,0]=4 3696 B11R0.30 C=C(C)CCOCCCC(=O)N 34a_100000764851_100102525003 [1,1,0,0,0,0|2,0,0]=4 3697 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100000730704_100011215641 [1,1,0,0,0,0|2,0,0]=4 3698 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100011215641_100000730704 [1,1,0,0,0,0|2,0,0]=4 3699 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100000730704_100102525003 [1,1,0,0,0,0|2,0,0]=4 3700 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100102525003_100000730704 [1,1,0,0,0,0|2,0,0]=4 3701 B11R0.30 C=C(C)CNCCCCC(=O)N 34a_100000696515_100000748629 [1,1,0,0,0,0|2,0,0]=4 3702 B11R0.30 C=C(C)CNCCOCC(=O)O 269956a_100000700818_100000748629 [1,1,0,0,0,0|2,0,0]=4 3703 B11R0.30 C=C(C)COCCCCC(=O)C 34a_100000210245_100009817362 [1,1,0,0,0,0|2,0,0]=4 3704 B11R0.30 C=C(C)COCCCCC(=O)N 34a_100012022536_100000748629 [1,1,0,0,0,0|2,0,0]=4 3705 B11R0.30 C=C(C)COCCCCC(=O)N 7a_100012022536_100000748629 [1,1,0,0,0,0|2,0,0]=4 3706 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000735457_100000211660 [1,1,0,0,0,0|2,0,0]=4 3707 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000748629_100000735457 [1,1,0,0,0,0|2,0,0]=4 3708 B11R0.30 C=C(F)CNCCCCC(=O)N 34a_100000696515_100009893438 [1,1,0,0,0,0|2,0,0]=4 3709 B11R0.30 C=C(F)CNCCOCC(=O)O 269956a_100000700818_100000042424 [1,1,0,0,0,0|2,0,0]=4 3710 B11R0.30 C=C(F)COCCCCC(=O)C 34a_200010262243_100009817362 [1,1,0,0,0,0|2,0,0]=4 3711 B11R0.30 C=C(F)COCCCCC(=O)N 34a_100012022536_100009893438 [1,1,0,0,0,0|2,0,0]=4 3712 B11R0.30 C=C(F)COCCCCC(=O)N 7a_100012022536_100000042424 [1,1,0,0,0,0|2,0,0]=4 3713 B11R0.30 C=C(F)CSCCCCC(=O)C 62a_100000042424_100000735457 [1,1,0,0,0,0|2,0,0]=4 3714 B11R0.30 C=C(F)CSCCCCC(=O)C 62a_100000735457_100000042424 [1,1,0,0,0,0|2,0,0]=4 3715 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,1,0,0,0,0|1,0,1]=4 3716 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [1,1,0,0,0,0|1,0,1]=4 3717 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,1,0,0,0,0|1,0,1]=4 3718 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,1,0,0,0,0|1,0,1]=4 3719 B11R0.40 C#CC(=O)CCCCCCC=C 1458a_100000211873_100011215473 [1,1,0,0,0,0|1,0,0]=3 3720 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [1,1,0,0,0,0|1,0,1]=4 3721 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [1,1,0,0,0,0|2,0,0]=4 3722 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [1,1,0,0,0,0|0,0,2]=4 3723 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|1,0,1]=4 3724 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [1,1,0,0,0,0|2,0,0]=4 3725 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [1,1,0,0,0,0|1,0,0]=3 3726 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [1,1,0,0,0,0|1,0,0]=3 3727 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [1,1,0,0,0,0|1,0,0]=3 3728 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [1,1,0,0,0,0|1,0,0]=3 3729 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [1,1,0,0,0,0|0,0,0]=2 3730 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [1,1,0,0,0,0|1,0,0]=3 3731 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [1,1,0,0,0,0|1,0,0]=3 3732 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [1,1,0,0,0,0|1,0,0]=3 3733 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [1,1,0,0,0,0|1,0,0]=3 3734 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000693194_100011215482 [1,1,0,0,0,0|2,0,0]=4 3735 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000703577_100000183359 [1,1,0,0,0,0|2,0,0]=4 3736 B11R0.40 C=CCCCCNCC(=O)NC 34a_100000703577_100000183359 [1,1,0,0,0,0|2,0,0]=4 3737 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [1,1,0,0,0,0|1,0,0]=3 3738 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [1,1,0,0,0,0|1,0,0]=3 3739 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [1,1,0,0,0,0|2,0,0]=4 3740 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [1,1,0,0,0,0|2,0,0]=4 3741 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000750040_100011215482 [1,1,0,0,0,0|2,0,0]=4 3742 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000766645_100000183359 [1,1,0,0,0,0|2,0,0]=4 3743 B11R0.40 C=CCCCCOCC(=O)NC 7a_100000766645_100000183359 [1,1,0,0,0,0|2,0,0]=4 3744 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [1,1,0,0,0,0|1,0,0]=3 3745 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [1,1,0,0,0,0|1,0,0]=3 3746 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [1,1,0,0,0,0|2,0,0]=4 3747 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [1,1,0,0,0,0|2,0,0]=4 3748 B11R0.40 C=CCCCCSCC(=O)NC 62a_100000183359_100011215482 [1,1,0,0,0,0|2,0,0]=4 3749 B11R0.40 C=CCCCCSCC(=O)NC 62a_100011215482_100000183359 [1,1,0,0,0,0|2,0,0]=4 3750 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [1,1,0,0,0,0|1,0,0]=3 3751 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [1,1,0,0,0,0|1,0,0]=3 3752 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000700776_100000737683 [1,1,0,0,0,0|2,0,0]=4 3753 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000738227_100011713584 [1,1,0,0,0,0|2,0,0]=4 3754 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000700776_100012179268 [1,1,0,0,0,0|2,0,0]=4 3755 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000738227_100000757094 [1,1,0,0,0,0|2,0,0]=4 3756 B11R0.40 C=CCCCNCCC(=O)OC 2230a_100000700776_100000204255 [1,1,0,0,0,0|1,0,0]=3 3757 B11R0.40 C=CCCCNCCC(=O)OC 34a_100000700776_100000742370 [1,1,0,0,0,0|1,0,0]=3 3758 B11R0.40 C=CCCCOCCC(=NO)N 34a_100000749954_100000757094 [1,1,0,0,0,0|2,0,0]=4 3759 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000754576_100000757094 [1,1,0,0,0,0|2,0,0]=4 3760 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000758997_100012179268 [1,1,0,0,0,0|2,0,0]=4 3761 B11R0.40 C=CCCCOCCC(=O)NC 7a_100000758997_100000737683 [1,1,0,0,0,0|2,0,0]=4 3762 B11R0.40 C=CCCCOCCC(=O)OC 34a_100000758997_100000742370 [1,1,0,0,0,0|1,0,0]=3 3763 B11R0.40 C=CCCCOCCC(=O)OC 7a_100000758997_100000204255 [1,1,0,0,0,0|1,0,0]=3 3764 B11R0.40 C=CCCCSCCC(=O)NC 62a_100000737683_100000757094 [1,1,0,0,0,0|2,0,0]=4 3765 B11R0.40 C=CCCCSCCC(=O)NC 62a_100011713584_100000737683 [1,1,0,0,0,0|2,0,0]=4 3766 B11R0.40 C=CCCCSCCC(=O)OC 62a_100000204255_100000757094 [1,1,0,0,0,0|1,0,0]=3 3767 B11R0.40 C=CCCCSCCC(=O)OC 62a_100011713584_100000204255 [1,1,0,0,0,0|1,0,0]=3 3768 B11R0.40 C=CCCCSCOC(=O)OC 62a_100011713584_100000139417 [1,1,0,0,0,0|2,0,0]=4 3769 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100000740002_100000754431 [1,1,0,0,0,0|2,0,0]=4 3770 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100015191253_100000741757 [1,1,0,0,0,0|2,0,0]=4 3771 B11R0.40 C=CCCNCCCC(=O)NC 34a_100000740002_100000754431 [1,1,0,0,0,0|2,0,0]=4 3772 B11R0.40 C=CCCNCCCC(=O)OC 2230a_100015191253_100011218270 [1,1,0,0,0,0|1,0,0]=3 3773 B11R0.40 C=CCCOCCCC(=O)NC 34a_100011205117_100000741757 [1,1,0,0,0,0|2,0,0]=4 3774 B11R0.40 C=CCCOCCCC(=O)NN 34a_100000211488_100000754431 [1,1,0,0,0,0|2,0,0]=4 3775 B11R0.40 C=CCCOCCCC(=O)OC 34a_100011205117_100000742333 [1,1,0,0,0,0|1,0,0]=3 3776 B11R0.40 C=CCCOCCNC(=O)OC 34a_100000757965_100000754431 [1,1,0,0,0,0|2,0,0]=4 3777 B11R0.40 C=CCCOCCOC(=O)OC 34a_100010262106_100000754431 [1,1,0,0,0,0|2,0,0]=4 3778 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000741757_100000754431 [1,1,0,0,0,0|2,0,0]=4 3779 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000754431_100000741757 [1,1,0,0,0,0|2,0,0]=4 3780 B11R0.40 C=CCCSCCCC(=O)OC 62a_100000754431_100011218270 [1,1,0,0,0,0|1,0,0]=3 3781 B11R0.40 C=CCCSCCCC(=O)OC 62a_100011218270_100000754431 [1,1,0,0,0,0|1,0,0]=3 3782 B11R0.40 C=CCNCCCCC(=O)OC 2230a_100020586998_100000204269 [1,1,0,0,0,0|1,0,0]=3 3783 B11R0.40 C=CCNCCOCC(=O)OC 2230a_100020586998_100000090808 [1,1,0,0,0,0|2,0,0]=4 3784 B11R0.40 C=CCOCCCCC(=O)OC 34a_100000059025_100015514636 [1,1,0,0,0,0|1,0,0]=3 3785 B11R0.40 C=CCOCCCCC(=O)OC 34a_200000210373_100000204269 [1,1,0,0,0,0|1,0,0]=3 3786 B11R0.40 C=CCOCCCCC(=O)OC 7a_100000059025_100015514636 [1,1,0,0,0,0|1,0,0]=3 3787 B11R0.40 C=CCOCCOCC(=O)OC 34a_100000037705_100000747449 [1,1,0,0,0,0|2,0,0]=4 3788 B11R0.40 C=CCOCCOCC(=O)OC 34a_200000210373_100000090808 [1,1,0,0,0,0|2,0,0]=4 3789 B11R0.40 C=CCOCCOCC(=O)OC 7a_100000037705_100000747449 [1,1,0,0,0,0|2,0,0]=4 3790 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000204269_100000210623 [1,1,0,0,0,0|1,0,0]=3 3791 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000210623_100000204269 [1,1,0,0,0,0|1,0,0]=3 3792 B11R0.40 C=CCSCCOCC(=O)OC 62a_100000090808_100000210623 [1,1,0,0,0,0|2,0,0]=4 3793 B11R0.40 C=CCSCCOCC(=O)OC 62a_100000210623_100000090808 [1,1,0,0,0,0|2,0,0]=4 3794 B11R0.40 C=COCCCNCC(=O)OC 2230a_100000210767_100000747449 [1,1,0,0,0,0|2,0,0]=4 3795 B11R0.40 C=COCCCNCC(=O)OC 34a_100000210767_100000747449 [1,1,0,0,0,0|2,0,0]=4 3796 B11R0.40 C=COCCOCCC(=O)OC 34a_100000033082_100000742370 [1,1,0,0,0,0|2,0,0]=4 3797 B11R0.40 C=COCCSCCC(=O)OC 62a_100000039644_100000204255 [1,1,0,0,0,0|2,0,0]=4 3798 B11R0.40 C=COCCSCCC(=O)OC 62a_100000204255_100000039644 [1,1,0,0,0,0|2,0,0]=4 3799 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,1,0,0,0,0|2,0,0]=4 3800 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,1,0,0,0,0|2,0,0]=4 3801 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|1,0,1]=4 3802 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|1,0,1]=4 3803 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,1,0,0,0,0|1,0,1]=4 3804 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|0,0,1]=3 3805 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,1,0,0,0,0|1,0,1]=4 3806 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 3807 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 3808 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 3809 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,1,0,0,0,0|1,0,1]=4 3810 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,1,0,0,0,0|1,0,1]=4 3811 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,1,0,0,0,0|1,0,1]=4 3812 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,1,0,0,0,0|1,0,1]=4 3813 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,1,0,0,0,0|1,0,1]=4 3814 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,1,0,0,0,0|1,0,1]=4 3815 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,1,0,0,0,0|1,0,1]=4 3816 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,1,0,0,0,0|1,0,1]=4 3817 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,1,0,0,0,0|1,0,1]=4 3818 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,1,0,0,0,0|1,0,1]=4 3819 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,1,0,0,0,0|1,0,1]=4 3820 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,1,0,0,0,0|1,0,1]=4 3821 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,1,0,0,0,0|1,0,1]=4 3822 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,1,0,0,0,0|1,0,1]=4 3823 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,1,0,0,0,0|1,0,1]=4 3824 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,1,0,0,0,0|1,0,1]=4 3825 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,1,0,0,0,0|1,0,1]=4 3826 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,1,0,0,0,0|1,0,1]=4 3827 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,1,0,0,0,0|1,0,1]=4 3828 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,1,0,0,0,0|1,0,1]=4 3829 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,1,0,0,0,0|1,0,1]=4 3830 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,1,0,0,0,0|1,0,1]=4 3831 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,1,0,0,0,0|1,0,1]=4 3832 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,1,0,0,0,0|1,0,1]=4 3833 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,1,0,0,0,0|1,0,1]=4 3834 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,1,0,0,0,0|1,0,1]=4 3835 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,1,0,0,0,0|1,0,1]=4 3836 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,1,0,0,0,0|1,0,1]=4 3837 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,1,0,0,0,0|1,0,1]=4 3838 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [1,1,0,0,0,0|2,0,0]=4 3839 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,1,0,0,0,0|1,0,1]=4 3840 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,1,0,0,0,0|1,0,1]=4 3841 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,1,0,0,0,0|1,0,1]=4 3842 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,1,0,0,0,0|1,0,1]=4 3843 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,1,0,0,0,0|1,0,1]=4 3844 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,1,0,0,0,0|1,0,1]=4 3845 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,1,0,0,0,0|1,0,1]=4 3846 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,1,0,0,0,0|1,0,1]=4 3847 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,1,0,0,0,0|1,0,1]=4 3848 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [1,1,0,0,0,0|2,0,0]=4 3849 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [1,1,0,0,0,0|2,0,0]=4 3850 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [1,1,0,0,0,0|2,0,0]=4 3851 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [1,1,0,0,0,0|2,0,0]=4 3852 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [1,1,0,0,0,0|2,0,0]=4 3853 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [1,1,0,0,0,0|2,0,0]=4 3854 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [1,1,0,0,0,0|2,0,0]=4 3855 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [1,1,0,0,0,0|2,0,0]=4 3856 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [1,1,0,0,0,0|2,0,0]=4 3857 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [1,1,0,0,0,0|2,0,0]=4 3858 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 3859 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 3860 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [1,1,0,0,0,0|2,0,0]=4 3861 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [1,1,0,0,0,0|2,0,0]=4 3862 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [1,1,0,0,0,0|2,0,0]=4 3863 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [1,1,0,0,0,0|2,0,0]=4 3864 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [1,1,0,0,0,0|2,0,0]=4 3865 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [1,1,0,0,0,0|2,0,0]=4 3866 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [1,1,0,0,0,0|2,0,0]=4 3867 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [1,1,0,0,0,0|2,0,0]=4 3868 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [1,1,0,0,0,0|2,0,0]=4 3869 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [1,1,0,0,0,0|2,0,0]=4 3870 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [1,1,0,0,0,0|2,0,0]=4 3871 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [1,1,0,0,0,0|2,0,0]=4 3872 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [1,1,0,0,0,0|2,0,0]=4 3873 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [1,1,0,0,0,0|2,0,0]=4 3874 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [1,1,0,0,0,0|2,0,0]=4 3875 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [1,1,0,0,0,0|2,0,0]=4 3876 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [1,1,0,0,0,0|2,0,0]=4 3877 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [1,1,0,0,0,0|2,0,0]=4 3878 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [1,1,0,0,0,0|2,0,0]=4 3879 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [1,1,0,0,0,0|2,0,0]=4 3880 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [1,1,0,0,0,0|2,0,0]=4 3881 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [1,1,0,0,0,0|2,0,0]=4 3882 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [1,1,0,0,0,0|2,0,0]=4 3883 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [1,1,0,0,0,0|2,0,0]=4 3884 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [1,1,0,0,0,0|2,0,0]=4 3885 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [1,1,0,0,0,0|2,0,0]=4 3886 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [1,1,0,0,0,0|2,0,0]=4 3887 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [1,1,0,0,0,0|2,0,0]=4 3888 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [1,1,0,0,0,0|2,0,0]=4 3889 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [1,1,0,0,0,0|2,0,0]=4 3890 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [1,1,0,0,0,0|2,0,0]=4 3891 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [1,1,0,0,0,0|2,0,0]=4 3892 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [1,1,0,0,0,0|2,0,0]=4 3893 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [1,1,0,0,0,0|2,0,0]=4 3894 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 3895 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 3896 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [1,1,0,0,0,0|2,0,0]=4 3897 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [1,1,0,0,0,0|2,0,0]=4 3898 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 3899 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 3900 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [1,1,0,0,0,0|2,0,0]=4 3901 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [1,1,0,0,0,0|2,0,0]=4 3902 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 3903 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [1,1,0,0,0,0|2,0,0]=4 3904 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [1,1,0,0,0,0|2,0,0]=4 3905 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [1,1,0,0,0,0|2,0,0]=4 3906 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [1,1,0,0,0,0|2,0,0]=4 3907 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 3908 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [1,1,0,0,0,0|2,0,0]=4 3909 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [1,1,0,0,0,0|1,0,1]=4 3910 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,1,0,0,0,0|1,0,1]=4 3911 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,1,0,0,0,0|1,0,1]=4 3912 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,1,0,0,0,0|1,0,1]=4 3913 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [1,1,0,0,0,0|1,0,1]=4 3914 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [1,1,0,0,0,0|2,0,0]=4 3915 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,1,0,0,0,0|1,0,0]=3 3916 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 3917 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 3918 B11R0.42 C=CCCCCNC(C)C(=O)C 2230a_100000703577_100009814033 [1,1,0,0,0,0|2,0,0]=4 3919 B11R0.42 C=CCCCCNC(C)C(=O)N 2230a_100000703577_100000702099 [1,1,0,0,0,0|2,0,0]=4 3920 B11R0.42 C=CCCCCNC(C)C(=O)N 34a_100000703577_100000702099 [1,1,0,0,0,0|2,0,0]=4 3921 B11R0.42 C=CCCCCNC(F)C(=O)N 2230a_100000703577_100009813875 [1,1,0,0,0,0|2,0,0]=4 3922 B11R0.42 C=CCCCCNC(F)C(=O)N 34a_100000703577_100009813875 [1,1,0,0,0,0|2,0,0]=4 3923 B11R0.42 C=CCCCCNC(F)C(=O)[O-] 34a_100000703577_100020610796 [1,1,0,0,0,0|1,0,1]=4 3924 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [1,1,0,0,0,0|1,0,0]=3 3925 B11R0.42 C=CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215482 [1,1,0,0,0,0|2,0,0]=4 3926 B11R0.42 C=CCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215482 [1,1,0,0,0,0|2,0,0]=4 3927 B11R0.42 C=CCCCCOC(C)C(=O)C 34a_100000212229_100011215482 [1,1,0,0,0,0|2,0,0]=4 3928 B11R0.42 C=CCCCCOC(C)C(=O)C 7a_100000766645_100000179758 [1,1,0,0,0,0|2,0,0]=4 3929 B11R0.42 C=CCCCCOC(C)C(=O)N 34a_100000766645_100000702099 [1,1,0,0,0,0|2,0,0]=4 3930 B11R0.42 C=CCCCCOC(C)C(=O)N 7a_100000766645_100000702099 [1,1,0,0,0,0|2,0,0]=4 3931 B11R0.42 C=CCCCCOC(F)C(=O)N 34a_100000766645_100009813875 [1,1,0,0,0,0|2,0,0]=4 3932 B11R0.42 C=CCCCCOC(F)C(=O)N 7a_100000766645_100009813875 [1,1,0,0,0,0|2,0,0]=4 3933 B11R0.42 C=CCCCCOC(F)C(=O)[O-] 34a_100000766645_100020610796 [1,1,0,0,0,0|1,0,1]=4 3934 B11R0.42 C=CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215482 [1,1,0,0,0,0|1,0,1]=4 3935 B11R0.42 C=CCCCCO[C@H](C)C(=O)C 1458a_200020631580_200000210301 [1,1,0,0,0,0|2,0,0]=4 3936 B11R0.42 C=CCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215482 [1,1,0,0,0,0|2,0,0]=4 3937 B11R0.42 C=CCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215482 [1,1,0,0,0,0|2,0,0]=4 3938 B11R0.42 C=CCCCCO[C@H](C)C(=O)[13CH3] 1458a_200020631580_200025704644 [1,1,0,0,0,0|2,0,0]=4 3939 B11R0.42 C=CCCCCSC(C)C(=O)C 62a_100009814033_100011215482 [1,1,0,0,0,0|2,0,0]=4 3940 B11R0.42 C=CCCCCSC(C)C(=O)C 62a_100011215482_100009814033 [1,1,0,0,0,0|2,0,0]=4 3941 B11R0.42 C=CCCCCSC(C)C(=O)N 62a_100000702099_100011215482 [1,1,0,0,0,0|2,0,0]=4 3942 B11R0.42 C=CCCCCSC(C)C(=O)N 62a_100011215482_100000702099 [1,1,0,0,0,0|2,0,0]=4 3943 B11R0.42 C=CCCCCSC(F)C(=O)N 62a_100009813875_100011215482 [1,1,0,0,0,0|2,0,0]=4 3944 B11R0.42 C=CCCCCSC(F)C(=O)N 62a_100011215482_100009813875 [1,1,0,0,0,0|2,0,0]=4 3945 B11R0.42 C=CCCCCSC(F)C(=O)[O-] 62a_100011215482_100020610796 [1,1,0,0,0,0|1,0,1]=4 3946 B11R0.42 C=CCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215482 [1,1,0,0,0,0|1,0,1]=4 3947 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [1,1,0,0,0,0|1,0,0]=3 3948 B11R0.42 C=CCCCNCC(F)C(=O)O 269956a_100000084737_100011713584 [1,1,0,0,0,0|1,0,0]=3 3949 B11R0.42 C=CCCCOCC(C)C(=O)C 34a_100000032740_100000757094 [1,1,0,0,0,0|2,0,0]=4 3950 B11R0.42 C=CCCCOCC(C)C(=O)C 7a_100000032740_100000757094 [1,1,0,0,0,0|2,0,0]=4 3951 B11R0.42 C=CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000757094 [1,1,0,0,0,0|2,0,0]=4 3952 B11R0.42 C=COCCNCC(C)C(=O)O 269956a_100000749485_100000039644 [1,1,0,0,0,0|2,0,0]=4 3953 B11R0.42 C=COCCNCC(F)C(=O)O 269956a_100000084737_100000039644 [1,1,0,0,0,0|2,0,0]=4 3954 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [1,1,0,0,0,0|2,0,0]=4 3955 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [1,1,0,0,0,0|2,0,0]=4 3956 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [1,1,0,0,0,0|2,0,0]=4 3957 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [1,1,0,0,0,0|1,0,1]=4 3958 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [1,1,0,0,0,0|1,0,1]=4 3959 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [1,1,0,0,0,0|1,0,1]=4 3960 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [1,1,0,0,0,0|1,0,1]=4 3961 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [1,1,0,0,0,0|2,0,0]=4 3962 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [1,1,0,0,0,0|2,0,0]=4 3963 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [1,1,0,0,0,0|2,0,0]=4 3964 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [1,1,0,0,0,0|2,0,0]=4 3965 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [1,1,0,0,0,0|2,0,0]=4 3966 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [1,1,0,0,0,0|2,0,0]=4 3967 B11R0.46 C=CCCCC(=O)CCC(=O)N 1458a_100011215257_100000757094 [1,1,0,0,0,0|1,0,1]=4 3968 B11R0.46 C=CCCCN(C)CCC(=O)N 2230a_100000730477_100011713584 [1,1,0,0,0,0|2,0,0]=4 3969 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,1,0,0,0,0|1,0,1]=4 3970 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,1,0,0,0,0|1,0,1]=4 3971 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,1,0,0,0,0|1,0,1]=4 3972 B11R0.111 C=CC(=O)CCCCCC(=O)N 1458a_100000185746_100009817443 [1,1,0,0,0,0|1,0,1]=4 3973 B11R0.111 C=CC(C)COCCCC(=O)C 34a_100011215527_100000685027 [1,1,0,0,0,0|2,0,0]=4 3974 B11R0.111 C=CC(C)COCCCC(=O)C 7a_100011215527_100011215641 [1,1,0,0,0,0|2,0,0]=4 3975 B11R0.111 C=CC(C)COCCCC(=O)N 34a_100011215527_100102525003 [1,1,0,0,0,0|2,0,0]=4 3976 B11R0.111 C=CC(C)COCCCC(=O)N 7a_100011215527_100102525003 [1,1,0,0,0,0|2,0,0]=4 3977 B11R0.111 C=CC(C)NCCOCC(=O)O 269956a_100000700818_100011215867 [1,1,0,0,0,0|2,0,0]=4 3978 B11R0.111 C=CC(C)OCCCCC(=O)C 34a_100000695699_100009817362 [1,1,0,0,0,0|2,0,0]=4 3979 B11R0.111 C=CC(C)SCCCCC(=O)C 62a_100011215867_100000735457 [1,1,0,0,0,0|2,0,0]=4 3980 B11R0.111 C=CC(O)CNCCCC(=O)N 34a_100000739312_100000730141 [1,1,0,0,0,0|2,0,0]=4 3981 B11R0.111 C=CC(O)COCCCC(=O)C 34a_100000759063_100000730141 [1,1,0,0,0,0|2,0,0]=4 3982 B11R0.111 C=CC(O)COCCCC(=O)C 7a_100000759063_100000730141 [1,1,0,0,0,0|2,0,0]=4 3983 B11R0.111 C=CC(O)CSCCCC(=O)C 62a_100000730141_100011215641 [1,1,0,0,0,0|2,0,0]=4 3984 B11R0.111 C=CC(O)CSCCCC(=O)C 62a_100011215641_100000730141 [1,1,0,0,0,0|2,0,0]=4 3985 B11R0.111 C=CC(O)CSCCCC(=O)N 62a_100000730141_100102525003 [1,1,0,0,0,0|2,0,0]=4 3986 B11R0.111 C=CC(O)CSCCCC(=O)N 62a_100102525003_100000730141 [1,1,0,0,0,0|2,0,0]=4 3987 B11R0.111 C=C[C@H](N)COCCCC(=O)C 34a_100016989147_100000685027 [1,1,0,0,0,0|2,0,0]=4 3988 B11R0.111 C=C[C@H](N)COCCCC(=O)N 34a_100016989147_100102525003 [1,1,0,0,0,0|2,0,0]=4 3989 B11R0.147 C=CCCC(=O)CCCC(=O)C 1458a_100000749702_100011215641 [1,1,0,0,0,0|1,0,1]=4 3990 B11R0.147 C=CCCC(=O)CCCC(=O)N 1458a_100000749702_100102525003 [1,1,0,0,0,0|1,0,1]=4 3991 B11R0.147 C=CCCC(C)OCCC(=O)C 7a_100000765329_100000053229 [1,1,0,0,0,0|2,0,0]=4 3992 B11R0.147 C=CCCC(C)OCCC(=O)N 34a_100000765329_100000731001 [1,1,0,0,0,0|2,0,0]=4 3993 B11R0.147 C=CCCC(C)OCCC(=O)N 7a_100000765329_100000744528 [1,1,0,0,0,0|2,0,0]=4 3994 B11R0.147 C=CCCN(C)CCCC(=O)C 269982a_100020639649_100011215641 [1,1,0,0,0,0|2,0,0]=4 3995 B11R0.147 C=CCCN(C)CCCC(=O)N 269982a_100020639649_100102525003 [1,1,0,0,0,0|2,0,0]=4 3996 B11R0.147 C=CCCN(C)CCCC(=O)O 269956a_100000719178_100000754431 [1,1,0,0,0,0|1,0,0]=3 3997 B11R0.147 C=CCOC(C)CCCC(=O)[O-] 7a_100000761597_100015514636 [1,1,0,0,0,0|1,0,1]=4 3998 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [1,1,0,0,0,0|1,0,1]=4 3999 B11R0.147 CN(CCCF)CCCC(=O)O 269956a_100000719178_100011934791 [1,1,0,0,0,0|2,0,0]=4 4000 B11R0.147 CN(CCCO)CCCC(=O)O 269956a_100000719178_100011215043 [1,1,0,0,0,0|2,0,0]=4 4001 B11R0.176 C=CCC(=O)CCCCC(=O)C 1458a_100000210193_100000735457 [1,1,0,0,0,0|1,0,1]=4 4002 B11R0.176 C=CCC(C)COCCC(=O)C 7a_100009832082_100000053229 [1,1,0,0,0,0|2,0,0]=4 4003 B11R0.176 C=CCC(C)COCCC(=O)N 34a_100009832082_100000731001 [1,1,0,0,0,0|2,0,0]=4 4004 B11R0.176 C=CCC(C)COCCC(=O)N 7a_100009832082_100000744528 [1,1,0,0,0,0|2,0,0]=4 4005 B11R0.176 C=CCN(C)CCCCC(=O)C 269982a_100000225617_100000735457 [1,1,0,0,0,0|2,0,0]=4 4006 B11R0.176 C=CC[C@@H](C)OCCCC(=O)C 34a_100000731007_100000685027 [1,1,0,0,0,0|2,0,0]=4 4007 B11R0.176 C=CC[C@@H](C)OCCCC(=O)C 7a_100000731007_100011215641 [1,1,0,0,0,0|2,0,0]=4 4008 B11R0.176 C=CC[C@@H](C)OCCCC(=O)N 34a_100000731007_100102525003 [1,1,0,0,0,0|2,0,0]=4 4009 B11R0.176 C=CC[C@@H](C)OCCCC(=O)N 7a_100000731007_100102525003 [1,1,0,0,0,0|2,0,0]=4 4010 B11R0.176 C=CC[C@@H](N)COCCC(=O)N 34a_100020615467_100000731001 [1,1,0,0,0,0|2,0,0]=4 4011 B11R0.3 C#CCCCCCCNCC=C 2230a_100020586998_100012276617 [1,1,0,0,0,0|1,0,1]=4 4012 B11R0.3 C#CCCCCCCOCC=C 34a_100011217361_100015514636 [1,1,0,0,0,0|1,0,1]=4 4013 B11R0.3 C#CCCCCCCOCC=C 34a_200000210373_100012276617 [1,1,0,0,0,0|1,0,1]=4 4014 B11R0.3 C#CCCCCCCOCC=C 7a_100011217361_100015514636 [1,1,0,0,0,0|1,0,1]=4 4015 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [1,1,0,0,0,0|0,0,2]=4 4016 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [1,1,0,0,0,0|0,0,2]=4 4017 B11R0.3 C#CCCCCCCSCC=C 62a_100000210623_100012276617 [1,1,0,0,0,0|1,0,1]=4 4018 B11R0.3 C#CCCCCCCSCC=C 62a_100012276617_100000210623 [1,1,0,0,0,0|1,0,1]=4 4019 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [1,1,0,0,0,0|0,0,2]=4 4020 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [1,1,0,0,0,0|0,0,2]=4 4021 B11R0.3 C#CCCCCCNCCC=C 2230a_100015191253_100012094781 [1,1,0,0,0,0|1,0,1]=4 4022 B11R0.3 C#CCCCCCOCCC=C 34a_100000766912_100000754431 [1,1,0,0,0,0|1,0,1]=4 4023 B11R0.3 C#CCCCCCOCCC=C 34a_100011205117_100012094781 [1,1,0,0,0,0|1,0,1]=4 4024 B11R0.3 C#CCCCCCOCCC=C 7a_100000766912_100000754431 [1,1,0,0,0,0|1,0,1]=4 4025 B11R0.3 C#CCCCCCSCCC=C 62a_100000754431_100012094781 [1,1,0,0,0,0|1,0,1]=4 4026 B11R0.3 C#CCCCCCSCCC=C 62a_100012094781_100000754431 [1,1,0,0,0,0|1,0,1]=4 4027 B11R0.3 C#CCCCCNCCCC=C 2230a_100000700776_100010269958 [1,1,0,0,0,0|1,0,1]=4 4028 B11R0.3 C#CCCCCNCCCC=C 2230a_100000706060_100011713584 [1,1,0,0,0,0|1,0,1]=4 4029 B11R0.3 C#CCCCCNCCCC=C 34a_100000700776_100010269958 [1,1,0,0,0,0|1,0,1]=4 4030 B11R0.3 C#CCCCCNCCCC=C 34a_100000706060_100000757094 [1,1,0,0,0,0|1,0,1]=4 4031 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [1,1,0,0,0,0|0,0,2]=4 4032 B11R0.3 C#CCCCCOCCCC=C 34a_100000758997_100010269958 [1,1,0,0,0,0|1,0,1]=4 4033 B11R0.3 C#CCCCCOCCCC=C 34a_100000766709_100000757094 [1,1,0,0,0,0|1,0,1]=4 4034 B11R0.3 C#CCCCCOCCCC=C 7a_100000758997_100010269958 [1,1,0,0,0,0|1,0,1]=4 4035 B11R0.3 C#CCCCCOCCCC=C 7a_100000766709_100000757094 [1,1,0,0,0,0|1,0,1]=4 4036 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [1,1,0,0,0,0|0,0,2]=4 4037 B11R0.3 C#CCCCCSCCCC=C 62a_100010269958_100000757094 [1,1,0,0,0,0|1,0,1]=4 4038 B11R0.3 C#CCCCCSCCCC=C 62a_100011713584_100010269958 [1,1,0,0,0,0|1,0,1]=4 4039 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [1,1,0,0,0,0|0,0,2]=4 4040 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [1,1,0,0,0,0|0,0,2]=4 4041 B11R0.3 C#CCCCNCCCCC=C 2230a_100000703577_100000731252 [1,1,0,0,0,0|1,0,1]=4 4042 B11R0.3 C#CCCCNCCCCC=C 34a_100000703577_100000695029 [1,1,0,0,0,0|1,0,1]=4 4043 B11R0.3 C#CCCCNCCCCC=C 34a_100000718082_100011215482 [1,1,0,0,0,0|1,0,1]=4 4044 B11R0.3 C#CCCCOCCCCC=C 34a_100000215630_100011215482 [1,1,0,0,0,0|1,0,1]=4 4045 B11R0.3 C#CCCCOCCCCC=C 34a_100000766645_100000695029 [1,1,0,0,0,0|1,0,1]=4 4046 B11R0.3 C#CCCCOCCCCC=C 7a_100000215630_100011215482 [1,1,0,0,0,0|1,0,1]=4 4047 B11R0.3 C#CCCCOCCCCC=C 7a_100000766645_100011215417 [1,1,0,0,0,0|1,0,1]=4 4048 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [1,1,0,0,0,0|0,0,2]=4 4049 B11R0.3 C#CCCCSCCCCC=C 62a_100011215417_100011215482 [1,1,0,0,0,0|1,0,1]=4 4050 B11R0.3 C#CCCCSCCCCC=C 62a_100011215482_100011215417 [1,1,0,0,0,0|1,0,1]=4 4051 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [1,1,0,0,0,0|0,0,2]=4 4052 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [1,1,0,0,0,0|0,0,2]=4 4053 B11R0.3 C#CCCNCCCCCC=C 34a_100000755551_100000700193 [1,1,0,0,0,0|1,0,1]=4 4054 B11R0.3 C#CCCOCCCCCC=C 34a_100011215631_100000700193 [1,1,0,0,0,0|1,0,1]=4 4055 B11R0.3 C#CCCOCCCCCC=C 34a_100011216702_100000688953 [1,1,0,0,0,0|1,0,1]=4 4056 B11R0.3 C#CCCOCCCCCC=C 7a_100011216702_100000688953 [1,1,0,0,0,0|1,0,1]=4 4057 B11R0.3 C#CCCSCCCCCC=C 62a_100000688953_100000700193 [1,1,0,0,0,0|1,0,1]=4 4058 B11R0.3 C#CCCSCCCCCC=C 62a_100000700193_100000688953 [1,1,0,0,0,0|1,0,1]=4 4059 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [1,1,0,0,0,0|0,0,2]=4 4060 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [1,1,0,0,0,0|0,0,2]=4 4061 B11R0.3 C#CCNCCCCCCC=C 34a_100000212058_100011215473 [1,1,0,0,0,0|1,0,1]=4 4062 B11R0.3 C#CCOCCCCCCC=C 34a_100000210247_100011215473 [1,1,0,0,0,0|1,0,1]=4 4063 B11R0.3 C#CCOCCCCCCC=C 34a_200011216477_100000184674 [1,1,0,0,0,0|1,0,1]=4 4064 B11R0.3 C#CCOCCCCCCC=C 7a_200011216477_100000038162 [1,1,0,0,0,0|1,0,1]=4 4065 B11R0.3 C#CCSCCCCCCC=C 62a_100000038162_100011215473 [1,1,0,0,0,0|1,0,1]=4 4066 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [1,1,0,0,0,0|1,0,1]=4 4067 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [1,1,0,0,0,0|1,0,1]=4 4068 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [1,1,0,0,0,0|1,0,1]=4 4069 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [1,1,0,0,0,0|1,0,0]=3 4070 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [1,1,0,0,0,0|1,0,0]=3 4071 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [1,1,0,0,0,0|1,0,1]=4 4072 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [1,1,0,0,0,0|1,0,1]=4 4073 B11R0.3 C=CCCC/C=C/COCC=O 34a_200016268473_200009817547 [1,1,0,0,0,0|0,0,2]=4 4074 B11R0.3 C=CCCC/C=C/COCC=O 7a_200016268473_200015260668 [1,1,0,0,0,0|0,0,2]=4 4075 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [1,1,0,0,0,0|1,0,1]=4 4076 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [1,1,0,0,0,0|1,0,1]=4 4077 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [1,1,0,0,0,0|1,0,1]=4 4078 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [1,1,0,0,0,0|0,0,1]=3 4079 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [1,1,0,0,0,0|0,0,1]=3 4080 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [1,1,0,0,0,0|0,0,1]=3 4081 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [1,1,0,0,0,0|0,0,1]=3 4082 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [1,1,0,0,0,0|0,0,1]=3 4083 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [1,1,0,0,0,0|0,1,1]=4 4084 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [1,1,0,0,0,0|0,1,1]=4 4085 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [1,1,0,0,0,0|0,1,1]=4 4086 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [1,1,0,0,0,0|0,1,1]=4 4087 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [1,1,0,0,0,0|1,0,1]=4 4088 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,1,0,0,0,0|1,0,1]=4 4089 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,1,0,0,0,0|1,0,1]=4 4090 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,1,0,0,0,0|1,0,1]=4 4091 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [1,1,0,0,0,0|1,0,1]=4 4092 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [1,1,0,0,0,0|1,0,1]=4 4093 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [1,1,0,0,0,0|1,0,1]=4 4094 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [1,1,0,0,0,0|1,0,1]=4 4095 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [1,1,0,0,0,0|1,0,1]=4 4096 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [1,1,0,0,0,0|1,0,1]=4 4097 B11R0.3 C=CCCCCCCNCC=C 2230a_100020586998_100011215473 [1,1,0,0,0,0|1,0,0]=3 4098 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [1,1,0,0,0,0|1,0,1]=4 4099 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [1,1,0,0,0,0|0,0,1]=3 4100 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [1,1,0,0,0,0|0,0,1]=3 4101 B11R0.3 C=CCCCCCCOCC#N 7a_200011216477_100011215382 [1,1,0,0,0,0|1,0,1]=4 4102 B11R0.3 C=CCCCCCCOCC=C 34a_200000210373_100011215473 [1,1,0,0,0,0|1,0,0]=3 4103 B11R0.3 C=CCCCCCCOCC=C 34a_200011216477_100015514636 [1,1,0,0,0,0|1,0,0]=3 4104 B11R0.3 C=CCCCCCCOCC=C 7a_200011216477_100015514636 [1,1,0,0,0,0|1,0,0]=3 4105 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [1,1,0,0,0,0|0,0,0]=2 4106 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [1,1,0,0,0,0|0,0,0]=2 4107 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [1,1,0,0,0,0|1,0,1]=4 4108 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [1,1,0,0,0,0|1,0,1]=4 4109 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [1,1,0,0,0,0|1,0,1]=4 4110 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [1,1,0,0,0,0|1,0,1]=4 4111 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [1,1,0,0,0,0|1,0,1]=4 4112 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [1,1,0,0,0,0|1,0,1]=4 4113 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [1,1,0,0,0,0|1,0,1]=4 4114 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [1,1,0,0,0,0|0,0,1]=3 4115 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [1,1,0,0,0,0|0,0,1]=3 4116 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [1,1,0,0,0,0|2,0,0]=4 4117 B11R0.3 C=CCCCCCCSCC#N 62a_100011215382_100011215473 [1,1,0,0,0,0|1,0,1]=4 4118 B11R0.3 C=CCCCCCCSCC#N 62a_100011215473_100011215382 [1,1,0,0,0,0|1,0,1]=4 4119 B11R0.3 C=CCCCCCCSCC=C 62a_100000210623_100011215473 [1,1,0,0,0,0|1,0,0]=3 4120 B11R0.3 C=CCCCCCCSCC=C 62a_100011215473_100000210623 [1,1,0,0,0,0|1,0,0]=3 4121 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [1,1,0,0,0,0|0,0,0]=2 4122 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [1,1,0,0,0,0|0,0,0]=2 4123 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [1,1,0,0,0,0|1,0,1]=4 4124 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [1,1,0,0,0,0|1,0,1]=4 4125 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [1,1,0,0,0,0|1,0,1]=4 4126 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [1,1,0,0,0,0|1,0,1]=4 4127 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [1,1,0,0,0,0|0,0,1]=3 4128 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [1,1,0,0,0,0|0,0,1]=3 4129 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [1,1,0,0,0,0|1,0,1]=4 4130 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [1,1,0,0,0,0|1,0,1]=4 4131 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [1,1,0,0,0,0|2,0,0]=4 4132 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [1,1,0,0,0,0|2,0,0]=4 4133 B11R0.3 C=CCCCCCNCCC=C 2230a_100015191253_100000700193 [1,1,0,0,0,0|1,0,0]=3 4134 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [1,1,0,0,0,0|1,0,1]=4 4135 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [1,1,0,0,0,0|1,0,1]=4 4136 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [1,1,0,0,0,0|1,0,1]=4 4137 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [1,1,0,0,0,0|1,0,1]=4 4138 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [1,1,0,0,0,0|1,0,1]=4 4139 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [1,1,0,0,0,0|2,0,0]=4 4140 B11R0.3 C=CCCCCCOC/C=C/C 34a_100011216702_100102629194 [1,1,0,0,0,0|1,0,1]=4 4141 B11R0.3 C=CCCCCCOC/C=C/C 34a_100016270725_100000700193 [1,1,0,0,0,0|1,0,1]=4 4142 B11R0.3 C=CCCCCCOC/C=C/C 7a_100011216702_100102629194 [1,1,0,0,0,0|1,0,1]=4 4143 B11R0.3 C=CCCCCCOCC=CC 34a_100011216702_100000070051 [1,1,0,0,0,0|1,0,1]=4 4144 B11R0.3 C=CCCCCCOCC=CC 7a_100011216702_100000070051 [1,1,0,0,0,0|1,0,1]=4 4145 B11R0.3 C=CCCCCCOCCC#N 7a_100011216702_100000184422 [1,1,0,0,0,0|1,0,1]=4 4146 B11R0.3 C=CCCCCCOCCC=C 34a_100011205117_100000700193 [1,1,0,0,0,0|1,0,0]=3 4147 B11R0.3 C=CCCCCCOCCC=C 34a_100011216702_100000754431 [1,1,0,0,0,0|1,0,0]=3 4148 B11R0.3 C=CCCCCCOCCC=C 7a_100011216702_100000754431 [1,1,0,0,0,0|1,0,0]=3 4149 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [1,1,0,0,0,0|1,0,1]=4 4150 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [1,1,0,0,0,0|1,0,1]=4 4151 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [1,1,0,0,0,0|1,0,1]=4 4152 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [1,1,0,0,0,0|1,0,1]=4 4153 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [1,1,0,0,0,0|1,0,1]=4 4154 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [1,1,0,0,0,0|1,0,1]=4 4155 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [1,1,0,0,0,0|1,0,1]=4 4156 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [1,1,0,0,0,0|1,0,1]=4 4157 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [1,1,0,0,0,0|1,0,1]=4 4158 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [1,1,0,0,0,0|1,0,1]=4 4159 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [1,1,0,0,0,0|0,0,1]=3 4160 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [1,1,0,0,0,0|0,0,1]=3 4161 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [1,1,0,0,0,0|1,0,1]=4 4162 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [1,1,0,0,0,0|1,0,1]=4 4163 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [1,1,0,0,0,0|1,0,1]=4 4164 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [1,1,0,0,0,0|1,0,1]=4 4165 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [1,1,0,0,0,0|2,0,0]=4 4166 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [1,1,0,0,0,0|2,0,0]=4 4167 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [1,1,0,0,0,0|2,0,0]=4 4168 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [1,1,0,0,0,0|2,0,0]=4 4169 B11R0.3 C=CCCCCCSC/C=C/C 62a_100000700193_100102629194 [1,1,0,0,0,0|1,0,1]=4 4170 B11R0.3 C=CCCCCCSC/C=C/C 62a_100102629194_100000700193 [1,1,0,0,0,0|1,0,1]=4 4171 B11R0.3 C=CCCCCCSCC=CC 62a_100000070051_100000700193 [1,1,0,0,0,0|1,0,1]=4 4172 B11R0.3 C=CCCCCCSCC=CC 62a_100000700193_100000070051 [1,1,0,0,0,0|1,0,1]=4 4173 B11R0.3 C=CCCCCCSCCC#N 62a_100000700193_100011215226 [1,1,0,0,0,0|1,0,1]=4 4174 B11R0.3 C=CCCCCCSCCC#N 62a_100011215226_100000700193 [1,1,0,0,0,0|1,0,1]=4 4175 B11R0.3 C=CCCCCCSCCC=C 62a_100000700193_100000754431 [1,1,0,0,0,0|1,0,0]=3 4176 B11R0.3 C=CCCCCCSCCC=C 62a_100000754431_100000700193 [1,1,0,0,0,0|1,0,0]=3 4177 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [1,1,0,0,0,0|1,0,1]=4 4178 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [1,1,0,0,0,0|1,0,1]=4 4179 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [1,1,0,0,0,0|1,0,1]=4 4180 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [1,1,0,0,0,0|1,0,1]=4 4181 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [1,1,0,0,0,0|0,0,1]=3 4182 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [1,1,0,0,0,0|0,0,1]=3 4183 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [1,1,0,0,0,0|1,0,1]=4 4184 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [1,1,0,0,0,0|1,0,1]=4 4185 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [1,1,0,0,0,0|2,0,0]=4 4186 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [1,1,0,0,0,0|2,0,0]=4 4187 B11R0.3 C=CCCCCNCCCC#N 2230a_100000703577_100000687738 [1,1,0,0,0,0|1,0,1]=4 4188 B11R0.3 C=CCCCCNCCCC=C 2230a_100000700776_100011215482 [1,1,0,0,0,0|1,0,0]=3 4189 B11R0.3 C=CCCCCNCCCC=C 2230a_100000703577_100011713584 [1,1,0,0,0,0|1,0,0]=3 4190 B11R0.3 C=CCCCCNCCCC=C 34a_100000700776_100011215482 [1,1,0,0,0,0|1,0,0]=3 4191 B11R0.3 C=CCCCCNCCCC=C 34a_100000703577_100000757094 [1,1,0,0,0,0|1,0,0]=3 4192 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [1,1,0,0,0,0|0,0,0]=2 4193 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [1,1,0,0,0,0|1,0,1]=4 4194 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [1,1,0,0,0,0|1,0,1]=4 4195 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [1,1,0,0,0,0|1,0,1]=4 4196 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [1,1,0,0,0,0|1,0,1]=4 4197 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [1,1,0,0,0,0|1,0,1]=4 4198 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [1,1,0,0,0,0|0,0,1]=3 4199 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [1,1,0,0,0,0|0,0,1]=3 4200 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [1,1,0,0,0,0|0,0,1]=3 4201 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [1,1,0,0,0,0|0,0,1]=3 4202 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [1,1,0,0,0,0|1,0,1]=4 4203 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [1,1,0,0,0,0|1,0,1]=4 4204 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [1,1,0,0,0,0|1,0,1]=4 4205 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [1,1,0,0,0,0|2,0,0]=4 4206 B11R0.3 C=CCCCCNCCOC=C 2230a_100000703577_100000039644 [1,1,0,0,0,0|2,0,0]=4 4207 B11R0.3 C=CCCCCNCCOC=C 34a_100000703577_100000039644 [1,1,0,0,0,0|2,0,0]=4 4208 B11R0.3 C=CCCCCOCC/C=C/C 34a_100016278192_100011215482 [1,1,0,0,0,0|1,0,1]=4 4209 B11R0.3 C=CCCCCOCCCC#N 7a_100000766645_100000687738 [1,1,0,0,0,0|1,0,1]=4 4210 B11R0.3 C=CCCCCOCCCC=C 34a_100000758997_100011215482 [1,1,0,0,0,0|1,0,0]=3 4211 B11R0.3 C=CCCCCOCCCC=C 34a_100000766645_100000757094 [1,1,0,0,0,0|1,0,0]=3 4212 B11R0.3 C=CCCCCOCCCC=C 7a_100000758997_100011215482 [1,1,0,0,0,0|1,0,0]=3 4213 B11R0.3 C=CCCCCOCCCC=C 7a_100000766645_100000757094 [1,1,0,0,0,0|1,0,0]=3 4214 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [1,1,0,0,0,0|0,0,0]=2 4215 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [1,1,0,0,0,0|1,0,1]=4 4216 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [1,1,0,0,0,0|1,0,1]=4 4217 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [1,1,0,0,0,0|1,0,1]=4 4218 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [1,1,0,0,0,0|1,0,1]=4 4219 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [1,1,0,0,0,0|1,0,1]=4 4220 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [1,1,0,0,0,0|1,0,1]=4 4221 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [1,1,0,0,0,0|1,0,1]=4 4222 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [1,1,0,0,0,0|1,0,1]=4 4223 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [1,1,0,0,0,0|1,0,1]=4 4224 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [1,1,0,0,0,0|1,0,1]=4 4225 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [1,1,0,0,0,0|1,0,1]=4 4226 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [1,1,0,0,0,0|1,0,1]=4 4227 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [1,1,0,0,0,0|1,0,1]=4 4228 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [1,1,0,0,0,0|0,0,1]=3 4229 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [1,1,0,0,0,0|0,0,1]=3 4230 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [1,1,0,0,0,0|2,0,0]=4 4231 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [1,1,0,0,0,0|1,0,1]=4 4232 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [1,1,0,0,0,0|1,0,1]=4 4233 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [1,1,0,0,0,0|1,0,1]=4 4234 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [1,1,0,0,0,0|2,0,0]=4 4235 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [1,1,0,0,0,0|2,0,0]=4 4236 B11R0.3 C=CCCCCOCCOC=C 34a_100000033082_100011215482 [1,1,0,0,0,0|2,0,0]=4 4237 B11R0.3 C=CCCCCOCCOC=C 34a_100000766645_100000039644 [1,1,0,0,0,0|2,0,0]=4 4238 B11R0.3 C=CCCCCOCCOC=C 7a_100000766645_100000039644 [1,1,0,0,0,0|2,0,0]=4 4239 B11R0.3 C=CCCCCSCCCC#N 62a_100000687738_100011215482 [1,1,0,0,0,0|1,0,1]=4 4240 B11R0.3 C=CCCCCSCCCC#N 62a_100011215482_100000687738 [1,1,0,0,0,0|1,0,1]=4 4241 B11R0.3 C=CCCCCSCCCC=C 62a_100011215482_100000757094 [1,1,0,0,0,0|1,0,0]=3 4242 B11R0.3 C=CCCCCSCCCC=C 62a_100011713584_100011215482 [1,1,0,0,0,0|1,0,0]=3 4243 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [1,1,0,0,0,0|0,0,0]=2 4244 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [1,1,0,0,0,0|0,0,0]=2 4245 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [1,1,0,0,0,0|1,0,1]=4 4246 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [1,1,0,0,0,0|1,0,1]=4 4247 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [1,1,0,0,0,0|1,0,1]=4 4248 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [1,1,0,0,0,0|1,0,1]=4 4249 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [1,1,0,0,0,0|0,0,1]=3 4250 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [1,1,0,0,0,0|0,0,1]=3 4251 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [1,1,0,0,0,0|1,0,1]=4 4252 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [1,1,0,0,0,0|1,0,1]=4 4253 B11R0.3 C=CCCCCSCCOC=C 62a_100000039644_100011215482 [1,1,0,0,0,0|2,0,0]=4 4254 B11R0.3 C=CCCCCSCCOC=C 62a_100011215482_100000039644 [1,1,0,0,0,0|2,0,0]=4 4255 B11R0.3 C=CCCCNCCCCC#N 2230a_100000700776_100000211819 [1,1,0,0,0,0|1,0,1]=4 4256 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [1,1,0,0,0,0|0,0,0]=2 4257 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [1,1,0,0,0,0|1,0,1]=4 4258 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [1,1,0,0,0,0|1,0,1]=4 4259 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [1,1,0,0,0,0|1,0,1]=4 4260 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [1,1,0,0,0,0|1,0,1]=4 4261 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [1,1,0,0,0,0|1,0,1]=4 4262 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [1,1,0,0,0,0|0,0,1]=3 4263 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [1,1,0,0,0,0|0,0,1]=3 4264 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [1,1,0,0,0,0|0,0,1]=3 4265 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [1,1,0,0,0,0|0,0,1]=3 4266 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [1,1,0,0,0,0|1,0,1]=4 4267 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [1,1,0,0,0,0|1,0,1]=4 4268 B11R0.3 C=CCCCNCCCOC=C 2230a_100000210767_100011713584 [1,1,0,0,0,0|2,0,0]=4 4269 B11R0.3 C=CCCCNCCCOC=C 34a_100000210767_100000757094 [1,1,0,0,0,0|2,0,0]=4 4270 B11R0.3 C=CCCCNCCOCCO 2230a_100000211614_100011713584 [1,1,0,0,0,0|1,0,1]=4 4271 B11R0.3 C=CCCCNCCOCCO 2230a_100000700776_100011215305 [1,1,0,0,0,0|1,0,1]=4 4272 B11R0.3 C=CCCCNCCOCCO 34a_100000211614_100000757094 [1,1,0,0,0,0|1,0,1]=4 4273 B11R0.3 C=CCCCNCCOCCO 34a_100000700776_100000692535 [1,1,0,0,0,0|1,0,1]=4 4274 B11R0.3 C=CCCCNCCSCCO 2230a_100011219999_100011713584 [1,1,0,0,0,0|1,0,1]=4 4275 B11R0.3 C=CCCCOCCCC=CC 34a_100020645299_100000757094 [1,1,0,0,0,0|1,0,1]=4 4276 B11R0.3 C=CCCCOCCCCC#N 7a_100000758997_100000211819 [1,1,0,0,0,0|1,0,1]=4 4277 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [1,1,0,0,0,0|0,0,0]=2 4278 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [1,1,0,0,0,0|1,0,1]=4 4279 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [1,1,0,0,0,0|1,0,1]=4 4280 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,1,0,0,0,0|1,0,1]=4 4281 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,1,0,0,0,0|1,0,1]=4 4282 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,1,0,0,0,0|1,0,1]=4 4283 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,1,0,0,0,0|1,0,1]=4 4284 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [1,1,0,0,0,0|1,0,1]=4 4285 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [1,1,0,0,0,0|1,0,1]=4 4286 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [1,1,0,0,0,0|1,0,1]=4 4287 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [1,1,0,0,0,0|1,0,1]=4 4288 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [1,1,0,0,0,0|1,0,1]=4 4289 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [1,1,0,0,0,0|1,0,1]=4 4290 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [1,1,0,0,0,0|1,0,1]=4 4291 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [1,1,0,0,0,0|0,0,1]=3 4292 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [1,1,0,0,0,0|0,0,1]=3 4293 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [1,1,0,0,0,0|1,0,1]=4 4294 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [1,1,0,0,0,0|1,0,1]=4 4295 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [1,1,0,0,0,0|1,0,1]=4 4296 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [1,1,0,0,0,0|2,0,0]=4 4297 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [1,1,0,0,0,0|2,0,0]=4 4298 B11R0.3 C=CCCCOCCOCC=C 34a_100000037705_100000757094 [1,1,0,0,0,0|2,0,0]=4 4299 B11R0.3 C=CCCCOCCOCC=C 7a_100000037705_100000757094 [1,1,0,0,0,0|2,0,0]=4 4300 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [1,1,0,0,0,0|1,0,1]=4 4301 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [1,1,0,0,0,0|1,0,1]=4 4302 B11R0.3 C=CCCCSCCCCC#N 62a_100011219923_100000757094 [1,1,0,0,0,0|1,0,1]=4 4303 B11R0.3 C=CCCCSCCCCC#N 62a_100011713584_100000211819 [1,1,0,0,0,0|1,0,1]=4 4304 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [1,1,0,0,0,0|0,0,0]=2 4305 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [1,1,0,0,0,0|0,0,0]=2 4306 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [1,1,0,0,0,0|1,0,1]=4 4307 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [1,1,0,0,0,0|1,0,1]=4 4308 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [1,1,0,0,0,0|1,0,1]=4 4309 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [1,1,0,0,0,0|1,0,1]=4 4310 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [1,1,0,0,0,0|0,0,1]=3 4311 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [1,1,0,0,0,0|0,0,1]=3 4312 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [1,1,0,0,0,0|1,0,1]=4 4313 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [1,1,0,0,0,0|1,0,1]=4 4314 B11R0.3 C=CCCCSCCOCCO 62a_100011215305_100000757094 [1,1,0,0,0,0|1,0,1]=4 4315 B11R0.3 C=CCCCSCCOCCO 62a_100011713584_100011215305 [1,1,0,0,0,0|1,0,1]=4 4316 B11R0.3 C=CCCNCCCCCC#N 2230a_100015191253_100009813376 [1,1,0,0,0,0|1,0,1]=4 4317 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [1,1,0,0,0,0|0,0,0]=2 4318 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [1,1,0,0,0,0|1,0,1]=4 4319 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [1,1,0,0,0,0|1,0,1]=4 4320 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [1,1,0,0,0,0|1,0,1]=4 4321 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [1,1,0,0,0,0|0,0,1]=3 4322 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [1,1,0,0,0,0|0,0,1]=3 4323 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [1,1,0,0,0,0|0,0,1]=3 4324 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [1,1,0,0,0,0|1,0,1]=4 4325 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [1,1,0,0,0,0|1,0,1]=4 4326 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [1,1,0,0,0,0|1,0,1]=4 4327 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [1,1,0,0,0,0|1,0,1]=4 4328 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [1,1,0,0,0,0|1,0,1]=4 4329 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [1,1,0,0,0,0|1,0,1]=4 4330 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [1,1,0,0,0,0|1,0,1]=4 4331 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [1,1,0,0,0,0|1,0,1]=4 4332 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [1,1,0,0,0,0|1,0,1]=4 4333 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [1,1,0,0,0,0|1,0,1]=4 4334 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [1,1,0,0,0,0|1,0,1]=4 4335 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [1,1,0,0,0,0|1,0,1]=4 4336 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [1,1,0,0,0,0|1,0,1]=4 4337 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [1,1,0,0,0,0|0,0,1]=3 4338 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [1,1,0,0,0,0|2,0,0]=4 4339 B11R0.3 C=CCCOCCCCOC=C 34a_100000031558_100000754431 [1,1,0,0,0,0|2,0,0]=4 4340 B11R0.3 C=CCCOCCCCOC=C 7a_100000031558_100000754431 [1,1,0,0,0,0|2,0,0]=4 4341 B11R0.3 C=CCCSCCCCCC#N 62a_100000754431_100009813376 [1,1,0,0,0,0|1,0,1]=4 4342 B11R0.3 C=CCCSCCCCCC#N 62a_100009813376_100000754431 [1,1,0,0,0,0|1,0,1]=4 4343 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [1,1,0,0,0,0|0,0,0]=2 4344 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [1,1,0,0,0,0|0,0,0]=2 4345 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [1,1,0,0,0,0|1,0,1]=4 4346 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [1,1,0,0,0,0|1,0,1]=4 4347 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [1,1,0,0,0,0|1,0,1]=4 4348 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [1,1,0,0,0,0|1,0,1]=4 4349 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [1,1,0,0,0,0|0,0,1]=3 4350 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [1,1,0,0,0,0|0,0,1]=3 4351 B11R0.3 C=CCNCCCCCCC#N 2230a_100020586998_100009813337 [1,1,0,0,0,0|1,0,1]=4 4352 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [1,1,0,0,0,0|1,0,1]=4 4353 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [1,1,0,0,0,0|1,0,1]=4 4354 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [1,1,0,0,0,0|1,0,1]=4 4355 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [1,1,0,0,0,0|0,0,1]=3 4356 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [1,1,0,0,0,0|0,0,1]=3 4357 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [1,1,0,0,0,0|0,0,1]=3 4358 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [1,1,0,0,0,0|1,0,1]=4 4359 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [1,1,0,0,0,0|1,0,1]=4 4360 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [1,1,0,0,0,0|1,0,1]=4 4361 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [1,1,0,0,0,0|1,0,1]=4 4362 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [1,1,0,0,0,0|1,0,1]=4 4363 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,1,0,0,0,0|1,0,1]=4 4364 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,1,0,0,0,0|1,0,1]=4 4365 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,1,0,0,0,0|1,0,1]=4 4366 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [1,1,0,0,0,0|1,0,1]=4 4367 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [1,1,0,0,0,0|0,0,1]=3 4368 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [1,1,0,0,0,0|1,0,1]=4 4369 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [1,1,0,0,0,0|1,0,1]=4 4370 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [1,1,0,0,0,0|1,0,1]=4 4371 B11R0.3 C=CCOCCOCCCC=O 7a_100000037705_200011292268 [1,1,0,0,0,0|1,0,0]=3 4372 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [1,1,0,0,0,0|1,0,1]=4 4373 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [1,1,0,0,0,0|1,0,1]=4 4374 B11R0.3 C=CCSCCCCCCC#N 62a_100000210623_100009813337 [1,1,0,0,0,0|1,0,1]=4 4375 B11R0.3 C=CCSCCCCCCC#N 62a_100009813337_100000210623 [1,1,0,0,0,0|1,0,1]=4 4376 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [1,1,0,0,0,0|1,0,1]=4 4377 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [1,1,0,0,0,0|1,0,1]=4 4378 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [1,1,0,0,0,0|0,0,1]=3 4379 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [1,1,0,0,0,0|0,0,1]=3 4380 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [1,1,0,0,0,0|1,0,1]=4 4381 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [1,1,0,0,0,0|1,0,1]=4 4382 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [1,1,0,0,0,0|1,0,1]=4 4383 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [1,1,0,0,0,0|1,0,1]=4 4384 B11R0.3 C=COCCCNCCCC=O 2230a_100000210767_200011292268 [1,1,0,0,0,0|1,0,0]=3 4385 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [1,1,0,0,0,0|1,0,1]=4 4386 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [1,1,0,0,0,0|1,0,1]=4 4387 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [1,1,0,0,0,0|1,0,1]=4 4388 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [1,1,0,0,0,0|1,0,1]=4 4389 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [1,1,0,0,0,0|1,0,1]=4 4390 B11R0.3 C=COCCOCCOCC=O 34a_100000039918_200009817547 [1,1,0,0,0,0|2,0,0]=4 4391 B11R0.3 C=COCCOCCOCC=O 7a_100000039918_200015260668 [1,1,0,0,0,0|2,0,0]=4 4392 B11R0.3 C=COCCSCCCCC=O 62a_100000039644_100000139335 [1,1,0,0,0,0|1,0,0]=3 4393 B11R0.3 C=COCCSCCCCC=O 62a_100000139335_100000039644 [1,1,0,0,0,0|1,0,0]=3 4394 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [1,1,0,0,0,0|1,0,1]=4 4395 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [1,1,0,0,0,0|1,0,1]=4 4396 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [1,1,0,0,0,0|1,0,1]=4 4397 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [1,1,0,0,0,0|1,0,1]=4 4398 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [1,1,0,0,0,0|1,0,1]=4 4399 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [1,1,0,0,0,0|1,0,0]=3 4400 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [1,1,0,0,0,0|1,0,0]=3 4401 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [1,1,0,0,0,0|1,0,1]=4 4402 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [1,1,0,0,0,0|1,0,1]=4 4403 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,1,0,0,0,0|0,0,2]=4 4404 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,1,0,0,0,0|0,0,2]=4 4405 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,1,0,0,0,0|0,0,2]=4 4406 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,1,0,0,0,0|0,0,2]=4 4407 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,1,0,0,0,0|0,0,2]=4 4408 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,1,0,0,0,0|0,0,2]=4 4409 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,1,0,0,0,0|0,0,2]=4 4410 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,1,0,0,0,0|0,0,2]=4 4411 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,1,0,0,0,0|0,0,2]=4 4412 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,1,0,0,0,0|0,0,2]=4 4413 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,1,0,0,0,0|0,0,2]=4 4414 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,1,0,0,0,0|0,0,2]=4 4415 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,1,0,0,0,0|0,0,2]=4 4416 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,1,0,0,0,0|0,0,2]=4 4417 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,1,0,0,0,0|0,0,2]=4 4418 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,1,0,0,0,0|0,0,2]=4 4419 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,1,0,0,0,0|0,0,2]=4 4420 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,1,0,0,0,0|0,0,2]=4 4421 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,1,0,0,0,0|0,0,2]=4 4422 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,1,0,0,0,0|1,0,1]=4 4423 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,1,0,0,0,0|1,0,1]=4 4424 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [1,1,0,0,0,0|1,0,1]=4 4425 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [1,1,0,0,0,0|1,0,1]=4 4426 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [1,1,0,0,0,0|1,0,1]=4 4427 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [1,1,0,0,0,0|1,0,1]=4 4428 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [1,1,0,0,0,0|1,0,1]=4 4429 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [1,1,0,0,0,0|1,0,1]=4 4430 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [1,1,0,0,0,0|1,0,1]=4 4431 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [1,1,0,0,0,0|1,0,1]=4 4432 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [1,1,0,0,0,0|1,0,1]=4 4433 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [1,1,0,0,0,0|1,0,1]=4 4434 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [1,1,0,0,0,0|1,0,1]=4 4435 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [1,1,0,0,0,0|1,0,1]=4 4436 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [1,1,0,0,0,0|1,0,1]=4 4437 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [1,1,0,0,0,0|1,0,1]=4 4438 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [1,1,0,0,0,0|1,0,1]=4 4439 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [1,1,0,0,0,0|1,0,1]=4 4440 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [1,1,0,0,0,0|1,0,1]=4 4441 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [1,1,0,0,0,0|1,0,1]=4 4442 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [1,1,0,0,0,0|1,0,1]=4 4443 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [1,1,0,0,0,0|1,0,1]=4 4444 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [1,1,0,0,0,0|1,0,1]=4 4445 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [1,1,0,0,0,0|1,0,1]=4 4446 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [1,1,0,0,0,0|1,0,1]=4 4447 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [1,1,0,0,0,0|1,0,1]=4 4448 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,1,0,0,0,0|1,0,1]=4 4449 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [1,1,0,0,0,0|1,0,1]=4 4450 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [1,1,0,0,0,0|1,0,1]=4 4451 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [1,1,0,0,0,0|1,0,1]=4 4452 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [1,1,0,0,0,0|1,0,1]=4 4453 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [1,1,0,0,0,0|1,0,1]=4 4454 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [1,1,0,0,0,0|1,0,1]=4 4455 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [1,1,0,0,0,0|1,0,1]=4 4456 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [1,1,0,0,0,0|1,0,1]=4 4457 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [1,1,0,0,0,0|1,0,0]=3 4458 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [1,1,0,0,0,0|1,0,0]=3 4459 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [1,1,0,0,0,0|1,0,1]=4 4460 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [1,1,0,0,0,0|1,0,1]=4 4461 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [1,1,0,0,0,0|1,0,1]=4 4462 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [1,1,0,0,0,0|1,0,1]=4 4463 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [1,1,0,0,0,0|1,0,1]=4 4464 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [1,1,0,0,0,0|1,0,1]=4 4465 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [1,1,0,0,0,0|1,0,1]=4 4466 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [1,1,0,0,0,0|1,0,1]=4 4467 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [1,1,0,0,0,0|1,0,1]=4 4468 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [1,1,0,0,0,0|1,0,1]=4 4469 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [1,1,0,0,0,0|1,0,1]=4 4470 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [1,1,0,0,0,0|1,0,1]=4 4471 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [1,1,0,0,0,0|1,0,1]=4 4472 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [1,1,0,0,0,0|1,0,1]=4 4473 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,1,0,0,0,0|1,0,1]=4 4474 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,1,0,0,0,0|1,0,1]=4 4475 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [1,1,0,0,0,0|1,0,1]=4 4476 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [1,1,0,0,0,0|1,0,1]=4 4477 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [1,1,0,0,0,0|0,0,2]=4 4478 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [1,1,0,0,0,0|0,0,2]=4 4479 B11R0.4 C=CCC(C)COCCCC=O 7a_100009832082_200011292268 [1,1,0,0,0,0|1,0,0]=3 4480 B11R0.4 C=CCC(C)COCCCCO 34a_100009832082_100011216708 [1,1,0,0,0,0|1,0,1]=4 4481 B11R0.4 C=CCC(C)COCCCCO 7a_100009832082_100000210776 [1,1,0,0,0,0|1,0,1]=4 4482 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100000210193_100000700193 [1,1,0,0,0,0|1,0,1]=4 4483 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100011934241_100000210623 [1,1,0,0,0,0|1,0,1]=4 4484 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [1,1,0,0,0,0|0,0,2]=4 4485 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [1,1,0,0,0,0|0,0,2]=4 4486 B11R0.4 C=CCCCCCN(C)CC=C 2230a_100000225617_100000700193 [1,1,0,0,0,0|2,0,0]=4 4487 B11R0.4 C=CCCCCCN(C)CC=C 269982a_100000225617_100000700193 [1,1,0,0,0,0|2,0,0]=4 4488 B11R0.4 C=CCCCCCN(C)CCO 2230a_100000210263_100000700193 [1,1,0,0,0,0|1,0,1]=4 4489 B11R0.4 C=CCCCCCN(C)CCO 269982a_100000210263_100000700193 [1,1,0,0,0,0|1,0,1]=4 4490 B11R0.4 C=CCCCCNC(C)CCO 2230a_100000703577_100009893172 [1,1,0,0,0,0|1,0,1]=4 4491 B11R0.4 C=CCCCCNC(C)CCO 34a_100000703577_100009893172 [1,1,0,0,0,0|1,0,1]=4 4492 B11R0.4 C=CCCCCN[C@H](C)CCO 2230a_100000706166_100011215482 [1,1,0,0,0,0|1,0,1]=4 4493 B11R0.4 C=CCCCCN[C@H](C)CCO 34a_100000706166_100011215482 [1,1,0,0,0,0|1,0,1]=4 4494 B11R0.4 C=CCCCCOC(C)CCO 34a_100000766645_100009893172 [1,1,0,0,0,0|1,0,1]=4 4495 B11R0.4 C=CCCCCOC(C)CCO 7a_100000766645_100009893172 [1,1,0,0,0,0|1,0,1]=4 4496 B11R0.4 C=CCCCCO[C@H](C)CC=C 34a_100000731007_100011215482 [1,1,0,0,0,0|2,0,0]=4 4497 B11R0.4 C=CCCCCO[C@H](C)CC=C 7a_100000731007_100011215482 [1,1,0,0,0,0|2,0,0]=4 4498 B11R0.4 C=CCCCCSC(C)CCO 62a_100009893172_100011215482 [1,1,0,0,0,0|1,0,1]=4 4499 B11R0.4 C=CCCCCSC(C)CCO 62a_100011215482_100009893172 [1,1,0,0,0,0|1,0,1]=4 4500 B11R0.4 C=CCCCOCC(C)CC=C 34a_100009832082_100000757094 [1,1,0,0,0,0|2,0,0]=4 4501 B11R0.4 C=CCCCOCC(C)CC=C 7a_100009832082_100000757094 [1,1,0,0,0,0|2,0,0]=4 4502 B11R0.4 C=CCCCOC[C@H](N)CC=C 34a_100020615467_100000757094 [1,1,0,0,0,0|2,0,0]=4 4503 B11R0.4 C=CCN(C)CCCCCC=O 2230a_100000225617_100000139337 [1,1,0,0,0,0|1,0,0]=3 4504 B11R0.4 C=CCN(C)CCCCCC=O 269982a_100000225617_100000139337 [1,1,0,0,0,0|1,0,0]=3 4505 B11R0.4 C=CCN(C)CCCCCCO 2230a_100000225617_100000766143 [1,1,0,0,0,0|1,0,1]=4 4506 B11R0.4 C=CCN(C)CCCCCCO 269982a_100000225617_100000766143 [1,1,0,0,0,0|1,0,1]=4 4507 B11R0.4 C=CC[C@@H](C)OCCCCC=O 7a_100000731007_100000139335 [1,1,0,0,0,0|1,0,0]=3 4508 B11R0.4 C=CC[C@@H](C)OCCCCCO 34a_100000731007_100000746330 [1,1,0,0,0,0|1,0,1]=4 4509 B11R0.4 C=CC[C@@H](C)OCCCCCO 7a_100000731007_100000746330 [1,1,0,0,0,0|1,0,1]=4 4510 B11R0.4 C=CC[C@@H](N)COCCCCO 34a_100020615467_100011216708 [1,1,0,0,0,0|1,0,1]=4 4511 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [1,1,0,0,0,0|0,0,2]=4 4512 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [1,1,0,0,0,0|0,0,2]=4 4513 B11R0.81 C=CCCC(C)NCCCCO 270004a_100000750430_100000762624 [1,1,0,0,0,0|1,0,1]=4 4514 B11R0.81 C=CCCC(C)OCCCC=O 7a_100000765329_200011292268 [1,1,0,0,0,0|1,0,0]=3 4515 B11R0.81 C=CCCC(C)OCCCCO 34a_100000765329_100011216708 [1,1,0,0,0,0|1,0,1]=4 4516 B11R0.81 C=CCCC(C)OCCCCO 7a_100000765329_100000210776 [1,1,0,0,0,0|1,0,1]=4 4517 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100000749702_100011215482 [1,1,0,0,0,0|1,0,1]=4 4518 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100011215552_100000754431 [1,1,0,0,0,0|1,0,1]=4 4519 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [1,1,0,0,0,0|0,0,2]=4 4520 B11R0.81 C=CCCCCN(C)CCC=C 2230a_100012000471_100000754431 [1,1,0,0,0,0|2,0,0]=4 4521 B11R0.81 C=CCCCCN(C)CCC=C 2230a_100020639649_100011215482 [1,1,0,0,0,0|2,0,0]=4 4522 B11R0.81 C=CCCCCN(C)CCC=C 269982a_100012000471_100000754431 [1,1,0,0,0,0|2,0,0]=4 4523 B11R0.81 C=CCCCCN(C)CCC=C 269982a_100020639649_100011215482 [1,1,0,0,0,0|2,0,0]=4 4524 B11R0.81 C=CCCCCN(C)CCCO 2230a_100000213112_100011215482 [1,1,0,0,0,0|1,0,1]=4 4525 B11R0.81 C=CCCCCN(C)CCCO 2230a_100012000471_100000230001 [1,1,0,0,0,0|1,0,1]=4 4526 B11R0.81 C=CCCCCN(C)CCCO 269982a_100000213112_100011215482 [1,1,0,0,0,0|1,0,1]=4 4527 B11R0.81 C=CCCCCN(C)CCCO 269982a_100012000471_100011215043 [1,1,0,0,0,0|1,0,1]=4 4528 B11R0.81 C=CCCCNC(C)CCC=C 270004a_100000700776_100000762624 [1,1,0,0,0,0|2,0,0]=4 4529 B11R0.81 C=CCCCOC(C)CCC=C 34a_100000765329_100000757094 [1,1,0,0,0,0|2,0,0]=4 4530 B11R0.81 C=CCCCOC(C)CCC=C 7a_100000765329_100000757094 [1,1,0,0,0,0|2,0,0]=4 4531 B11R0.81 C=CCCN(C)CCCCC=O 2230a_100020639649_100000139335 [1,1,0,0,0,0|1,0,0]=3 4532 B11R0.81 C=CCCN(C)CCCCC=O 269982a_100020639649_100000139335 [1,1,0,0,0,0|1,0,0]=3 4533 B11R0.81 C=CCCN(C)CCCCCO 2230a_100000722520_100000754431 [1,1,0,0,0,0|1,0,1]=4 4534 B11R0.81 C=CCCN(C)CCCCCO 2230a_100020639649_100000746330 [1,1,0,0,0,0|1,0,1]=4 4535 B11R0.81 C=CCCN(C)CCCCCO 269982a_100000722520_100000754431 [1,1,0,0,0,0|1,0,1]=4 4536 B11R0.81 C=CCCN(C)CCCCCO 269982a_100020639649_100000746330 [1,1,0,0,0,0|1,0,1]=4 4537 B11R0.81 C=CCCNC[C@H](C)CCCO 2230a_100160569302_100000754431 [1,1,0,0,0,0|1,0,1]=4 4538 B11R0.81 C=CCCNC[C@H](C)CCCO 34a_100160569302_100000754431 [1,1,0,0,0,0|1,0,1]=4 4539 B11R0.140 C=CCCCC(=O)CCCC=C 1458a_100000766728_100000757094 [1,1,0,0,0,0|1,0,1]=4 4540 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [1,1,0,0,0,0|0,0,2]=4 4541 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [1,1,0,0,0,0|0,0,2]=4 4542 B11R0.140 C=CCCCN(C)CCCCO 2230a_100000717598_100011713584 [1,1,0,0,0,0|1,0,1]=4 4543 B11R0.140 C=CCCCN(C)CCCCO 269982a_100000717598_100000757094 [1,1,0,0,0,0|1,0,1]=4 4544 B13R0.62 C=CCCCCCN(CC)CC(=O)O 269956a_100000746405_100000700193 [0,2,0,0,0,0|1,0,0]=3 4545 B13R0.62 C=CCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000700193 [0,2,0,0,0,0|1,0,1]=4 4546 B13R0.62 C=CCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100011215482 [0,2,0,0,0,0|1,0,0]=3 4547 B13R0.62 C=CCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011215482 [0,2,0,0,0,0|1,0,0]=3 4548 B13R0.62 CCN(CCCCCC=O)CC(=O)O 269956a_100000746405_100000139337 [0,2,0,0,0,0|2,0,0]=4 4549 B13R0.62 CC[C@H](CC(=O)O)NCCCCC=O 269956a_100016995926_100000139335 [0,2,0,0,0,0|2,0,0]=4 4550 B13R0.62 O=CCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000139335 [0,2,0,0,0,0|2,0,0]=4 4551 B13R0.178 C=C(C)CN(C)CCCCCC(=O)N 2230a_100000225649_100009817443 [0,2,0,0,0,0|2,0,0]=4 4552 B13R0.178 C=C(C)CN(C)CCCCCC(=O)N 269982a_100000225649_100009817443 [0,2,0,0,0,0|2,0,0]=4 4553 B13R0.178 CC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100011215641 [0,2,0,0,0,0|1,0,1]=4 4554 B13R0.178 CN(CCCCCC(=O)N)CC(=O)O 269956a_100000746989_100009817443 [0,2,0,0,0,0|2,0,0]=4 4555 B13R0.178 NC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100102525003 [0,2,0,0,0,0|2,0,0]=4 4556 B13R0.274 C=CCCCCCC(=O)CC(=O)CC 1458a_100011934241_100000747405 [0,2,0,0,0,0|1,0,1]=4 4557 B13R0.274 C=CCCCCCC(=O)CC(=O)NC 1458a_100011934241_100000183359 [0,2,0,0,0,0|1,0,1]=4 4558 B13R0.274 C=CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000700193 [0,2,0,0,0,0|0,0,1]=3 4559 B13R0.274 C=CCCCCCC(=O)CC(=O)OC 1458a_100011934241_100000747449 [0,2,0,0,0,0|0,0,1]=3 4560 B13R0.274 C=CCCCCCN(C)CC(=O)NC 2230a_100000189611_100000700193 [0,2,0,0,0,0|2,0,0]=4 4561 B13R0.274 C=CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000700193 [0,2,0,0,0,0|1,0,0]=3 4562 B13R0.274 C=CCCCCNC(=O)CC(=O)OC 240690a_100000703577_100000211351 [0,2,0,0,0,0|1,0,1]=4 4563 B13R0.274 C=CCCCCNC(C)CC(=O)OC 2230a_100000703577_100009817358 [0,2,0,0,0,0|1,0,0]=3 4564 B13R0.274 C=CCCCCNC(C)CC(=O)OC 34a_100000703577_100009817358 [0,2,0,0,0,0|1,0,0]=3 4565 B13R0.274 C=CCCCCOC(C)CC(=O)OC 34a_100000766645_100009817358 [0,2,0,0,0,0|1,0,0]=3 4566 B13R0.274 C=CCCCCOC(C)CC(=O)OC 7a_100000766645_100009817358 [0,2,0,0,0,0|1,0,0]=3 4567 B13R0.274 C=CCCCCSC(C)CC(=O)OC 62a_100009817358_100011215482 [0,2,0,0,0,0|1,0,0]=3 4568 B13R0.274 C=CCCCCSC(C)CC(=O)OC 62a_100011215482_100009817358 [0,2,0,0,0,0|1,0,0]=3 4569 B13R0.274 C=CCCCNC[C@H](O)CC(=O)OC 34a_100000700776_100000754131 [0,2,0,0,0,0|1,0,0]=3 4570 B13R0.274 C=CCCCOC[C@H](O)CC(=O)OC 34a_100000758997_100000754131 [0,2,0,0,0,0|1,0,0]=3 4571 B13R0.274 C=CCCCOC[C@H](O)CC(=O)OC 7a_100000758997_100000754131 [0,2,0,0,0,0|1,0,0]=3 4572 B13R0.274 C=CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000757094 [0,2,0,0,0,0|1,0,1]=4 4573 B13R0.274 C=CCCCSCC(=O)CC(=O)OC 62a_100011713584_100000210525 [0,2,0,0,0,0|1,0,1]=4 4574 B13R0.274 C=CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000757094 [0,2,0,0,0,0|1,0,0]=3 4575 B13R0.274 C=CCCCSC[C@H](O)CC(=O)OC 62a_100011713584_100000754131 [0,2,0,0,0,0|1,0,0]=3 4576 B13R0.274 C=CCOCCOC(C)CC(=O)OC 34a_100000037705_100009817358 [0,2,0,0,0,0|2,0,0]=4 4577 B13R0.274 C=CCOCCOC(C)CC(=O)OC 7a_100000037705_100009817358 [0,2,0,0,0,0|2,0,0]=4 4578 B13R0.274 C=COCCCNC(C)CC(=O)OC 2230a_100000210767_100009817358 [0,2,0,0,0,0|2,0,0]=4 4579 B13R0.274 C=COCCCNC(C)CC(=O)OC 34a_100000210767_100009817358 [0,2,0,0,0,0|2,0,0]=4 4580 B13R0.274 C=COCCOC[C@H](O)CC(=O)OC 34a_100000033082_100000754131 [0,2,0,0,0,0|2,0,0]=4 4581 B13R0.274 C=COCCSC[C@H](O)CC(=O)OC 62a_100000039644_100000754131 [0,2,0,0,0,0|2,0,0]=4 4582 B13R0.274 C=COCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000039644 [0,2,0,0,0,0|2,0,0]=4 4583 B13R0.274 COC(=O)CC(C)SCCCCC=O 62a_100000139335_100009817358 [0,2,0,0,0,0|2,0,0]=4 4584 B13R0.274 COC(=O)CC(C)SCCCCC=O 62a_100009817358_100000139335 [0,2,0,0,0,0|2,0,0]=4 4585 B13R0.274 COC(=O)CN(C)CCCCCC=O 2230a_100000198492_100000139337 [0,2,0,0,0,0|2,0,0]=4 4586 B13R0.274 COC(=O)C[C@@H](O)CSCCCC=O 62a_100000754131_200011292268 [0,2,0,0,0,0|2,0,0]=4 4587 B13R0.274 COC(=O)C[C@@H](O)CSCCCC=O 62a_200011292268_100000754131 [0,2,0,0,0,0|2,0,0]=4 4588 B13R0.335 C#CCCCCCCN(C)CC(=O)O 269956a_100000746989_100012276617 [0,2,0,0,0,0|0,0,2]=4 4589 B13R0.335 C#CCCCCNCC(O)CC(=O)O 269956a_100011218706_100010269958 [0,2,0,0,0,0|0,0,2]=4 4590 B13R0.335 C=CCCCCCCC(=O)CC(=C)C 1458a_100011809334_100000748629 [0,2,0,0,0,0|2,0,0]=4 4591 B13R0.335 C=CCCCCCCC(=O)CC(=C)F 1458a_100011809334_100009893438 [0,2,0,0,0,0|2,0,0]=4 4592 B13R0.335 C=CCCCCCCC(=O)CC(=O)N 1458a_100011809334_100000187820 [0,2,0,0,0,0|1,0,0]=3 4593 B13R0.335 C=CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215473 [0,2,0,0,0,0|1,0,0]=3 4594 B13R0.335 C=CCCCCCCC(=O)CC(=O)[O-] 1458a_100011809334_100020667443 [0,2,0,0,0,0|0,0,1]=3 4595 B13R0.335 C=CCCCCCCC(=O)CC(C)O 1458a_100011809334_100011218427 [0,2,0,0,0,0|1,0,1]=4 4596 B13R0.335 C=CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215473 [0,2,0,0,0,0|1,0,1]=4 4597 B13R0.335 C=CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100011809334_100000761209 [0,2,0,0,0,0|1,0,1]=4 4598 B13R0.335 C=CCCCCCCN(C)CC(=C)C 2230a_100000225649_100011215473 [0,2,0,0,0,0|2,0,0]=4 4599 B13R0.335 C=CCCCCCCN(C)CC(=C)C 269982a_100000225649_100011215473 [0,2,0,0,0,0|2,0,0]=4 4600 B13R0.335 C=CCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215473 [0,2,0,0,0,0|1,0,0]=3 4601 B13R0.335 C=CCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215473 [0,2,0,0,0,0|0,0,0]=2 4602 B13R0.335 C=CCCCCCCN(C)CC(C)O 2230a_100000227577_100011215473 [0,2,0,0,0,0|1,0,1]=4 4603 B13R0.335 C=CCCCCCCN(C)CC(C)O 269982a_100000227577_100011215473 [0,2,0,0,0,0|1,0,1]=4 4604 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100000700193_100009818208 [0,2,0,0,0,0|2,0,0]=4 4605 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100009818208_100000700193 [0,2,0,0,0,0|2,0,0]=4 4606 B13R0.335 C=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215482 [0,2,0,0,0,0|0,0,0]=2 4607 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [0,2,0,0,0,0|0,0,2]=4 4608 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [0,2,0,0,0,0|0,0,2]=4 4609 B13R0.335 CN(CCCCCCC#N)CC(=O)O 269956a_100000746989_100009813337 [0,2,0,0,0,0|1,0,1]=4 4610 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [0,2,0,0,0,0|1,0,1]=4 4611 B13R0.335 COCCCCCCN(C)CC(=O)O 269956a_100000746989_100011998445 [0,2,0,0,0,0|1,0,1]=4 4612 B13R0.335 COCCCCNCC(O)CC(=O)O 269956a_100011218706_100000730899 [0,2,0,0,0,0|1,0,1]=4 4613 B13R0.335 N#CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011219923 [0,2,0,0,0,0|1,0,1]=4 4614 B13R0.335 O=C(O)CC(O)CNCCCCCF 269956a_100011218706_100000729378 [0,2,0,0,0,0|1,0,1]=4 4615 B13R0.335 O=C(O)CC(O)CNCCCCCO 269956a_100011218706_100000746330 [0,2,0,0,0,0|1,0,1]=4 4616 B13R0.335 O=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139335 [0,2,0,0,0,0|1,0,0]=3 4617 B13R0.337 C=CCCCCCC(=O)C(C)C(=O)C 1458a_100011934241_100000179758 [0,2,0,0,0,0|1,0,1]=4 4618 B13R0.337 C=CCCCCCC(=O)C(C)C(=O)N 1458a_100011934241_100000702099 [0,2,0,0,0,0|1,0,1]=4 4619 B13R0.337 C=CCCCCCC(=O)C(F)C(=O)N 1458a_100011934241_100009813875 [0,2,0,0,0,0|1,0,1]=4 4620 B13R0.337 C=CCCCCCC(=O)C(F)C(=O)[O-] 1458a_100011934241_100020610796 [0,2,0,0,0,0|0,0,2]=4 4621 B13R0.337 C=CCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000700193 [0,2,0,0,0,0|1,0,0]=3 4622 B13R0.337 C=CCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100011215482 [0,2,0,0,0,0|2,0,0]=4 4623 B13R0.337 CC(C(=O)O)N(C)CCCCCC=O 269956a_100000749554_100000139337 [0,2,0,0,0,0|2,0,0]=4 4624 B13R0.712 C=CCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100011215482 [0,2,0,0,0,0|2,0,0]=4 4625 B13R0.712 C=CCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100011215482 [0,2,0,0,0,0|1,0,0]=3 4626 B13R0.712 C=CCCCCOC(C)(C)CC(=O)C 7a_100000210262_100011215482 [0,2,0,0,0,0|2,0,0]=4 4627 B13R0.712 CC(C)(CC(=O)O)NCCCCC=O 269956a_100000755897_100000139335 [0,2,0,0,0,0|2,0,0]=4 4628 B13R0.71 C=CC(C)CC(=O)CCCCC(=O)C 1458a_100011934298_100000735457 [0,2,0,0,0,0|1,0,1]=4 4629 B13R0.113 C=CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000754431 [0,2,0,0,0,0|0,0,1]=3 4630 B13R0.113 C=CCCC(=O)CCCCC(=O)OC 1458a_100000749702_100000204269 [0,2,0,0,0,0|0,0,1]=3 4631 B13R0.113 C=CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000754431 [0,2,0,0,0,0|1,0,1]=4 4632 B13R0.113 C=CCCC(=O)CCOCC(=O)OC 1458a_100000749702_100000090808 [0,2,0,0,0,0|1,0,1]=4 4633 B13R0.113 C=CCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000749702 [0,2,0,0,0,0|1,0,1]=4 4634 B13R0.113 C=CCCC(C)NCCCC(=O)NC 270004a_100000740002_100000762624 [0,2,0,0,0,0|2,0,0]=4 4635 B13R0.113 C=CCCC(C)OCCCC(=O)NC 34a_100000765329_100000741757 [0,2,0,0,0,0|2,0,0]=4 4636 B13R0.113 C=CCCC(C)OCCCC(=O)NC 7a_100000765329_100000741757 [0,2,0,0,0,0|2,0,0]=4 4637 B13R0.113 C=CCCC(C)OCCCC(=O)OC 34a_100000765329_100000742333 [0,2,0,0,0,0|1,0,0]=3 4638 B13R0.113 C=CCCC(C)OCCCC(=O)OC 7a_100000765329_100011218270 [0,2,0,0,0,0|1,0,0]=3 4639 B13R0.113 C=CCCN(C)CCCCC(=O)OC 2230a_100020639649_100000204269 [0,2,0,0,0,0|1,0,0]=3 4640 B13R0.113 C=CCCN(C)CCCCC(=O)OC 269982a_100020639649_100000204269 [0,2,0,0,0,0|1,0,0]=3 4641 B13R0.113 C=CCCN(C)CCOCC(=O)OC 2230a_100020639649_100000090808 [0,2,0,0,0,0|2,0,0]=4 4642 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 1626a_100020586998_100000695723 [0,2,0,0,0,0|1,0,1]=4 4643 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 240690a_100020586998_100000695723 [0,2,0,0,0,0|1,0,1]=4 4644 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 527a_100020586998_100000695723 [0,2,0,0,0,0|1,0,1]=4 4645 B13R0.182 C=C(C)CCC(=O)CCCCC(=O)C 1458a_200000688413_100000735457 [0,2,0,0,0,0|1,0,1]=4 4646 B13R0.188 C=CCCCC(=O)CCCCB(O)O 1458a_100000766728_200009817182 [0,2,0,0,0,0|1,0,1]=4 4647 B13R0.188 C=CCCCC(=O)CCCCC(=O)C 1458a_100000766728_100000735457 [0,2,0,0,0,0|1,0,0]=3 4648 B13R0.188 C=CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000757094 [0,2,0,0,0,0|1,0,1]=4 4649 B13R0.188 C=CCCCC(=O)CCCOC(=O)C 1458a_100000766728_100000042594 [0,2,0,0,0,0|1,0,1]=4 4650 B13R0.188 C=CCCCC(=O)CCCSC(=O)C 1458a_100000766728_100000038929 [0,2,0,0,0,0|1,0,1]=4 4651 B13R0.188 C=CCCCC(=O)CCOCC(=O)N 1458a_100000766728_100000076697 [0,2,0,0,0,0|1,0,1]=4 4652 B13R0.188 C=CCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000757094 [0,2,0,0,0,0|1,0,1]=4 4653 B13R0.188 C=CCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000766728 [0,2,0,0,0,0|1,0,1]=4 4654 B13R0.188 C=CCCCC(=O)NCCCC(=O)N 527a_100000739312_100000766728 [0,2,0,0,0,0|1,0,1]=4 4655 B13R0.188 C=CCSCC(=O)CCCCC(=O)C 1458a_100000230395_100000735457 [0,2,0,0,0,0|1,0,1]=4 4656 B13R0.261 C=CCC(C)C(=O)CCCCC(=O)C 1458a_100011216819_100000735457 [0,2,0,0,0,0|1,0,1]=4 4657 B13R0.280 C=CCCCCCCNCC(C)(C)O 2230a_100000751335_100011215473 [0,2,0,0,0,0|1,0,1]=4 4658 B13R0.280 C=CCCCCCCOCC(C)(C)O 34a_200011216477_100000764493 [0,2,0,0,0,0|1,0,1]=4 4659 B13R0.280 C=CCCCCCCOCC(C)(C)O 7a_200011216477_100000764493 [0,2,0,0,0,0|1,0,1]=4 4660 B13R0.280 C=CCCCCCCOCS(=O)(=O)[O-] 34a_200011216477_100009817235 [0,2,0,0,0,0|1,0,1]=4 4661 B13R0.280 C=CCCCCCCSCC(C)(C)O 62a_100000764493_100011215473 [0,2,0,0,0,0|1,0,1]=4 4662 B13R0.280 C=CCCCCCCSCC(C)(C)O 62a_100011215473_100000764493 [0,2,0,0,0,0|1,0,1]=4 4663 B13R0.280 C=CCCCCCCSCS(=O)(=O)N 62a_100000741382_100011215473 [0,2,0,0,0,0|1,0,1]=4 4664 B13R0.280 C=CCCCCCCSCS(=O)(=O)N 62a_100011215473_100000741382 [0,2,0,0,0,0|1,0,1]=4 4665 B13R0.280 C=CCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100011215473 [0,2,0,0,0,0|1,0,1]=4 4666 B13R0.280 C=CCCCCCCSCS(=O)(=O)[O-] 62a_100011215473_100009817235 [0,2,0,0,0,0|1,0,1]=4 4667 B13R0.280 C=CCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000700193 [0,2,0,0,0,0|1,0,1]=4 4668 B13R0.280 C=CCCCCCNCCS(=O)(=O)C 34a_100000740961_100000700193 [0,2,0,0,0,0|1,0,1]=4 4669 B13R0.280 C=CCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000700193 [0,2,0,0,0,0|1,0,1]=4 4670 B13R0.280 C=CCCCCCNCCS(=O)(=O)N 34a_100000738205_100000700193 [0,2,0,0,0,0|1,0,1]=4 4671 B13R0.280 C=CCCCCCOCCC(C)(C)O 34a_100011216702_100000702414 [0,2,0,0,0,0|1,0,1]=4 4672 B13R0.280 C=CCCCCCOCCC(C)(C)O 7a_100011216702_100000702414 [0,2,0,0,0,0|1,0,1]=4 4673 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 34a_100000211924_100000700193 [0,2,0,0,0,0|1,0,1]=4 4674 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 34a_100011216702_100000731031 [0,2,0,0,0,0|1,0,1]=4 4675 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 7a_100000211924_100000700193 [0,2,0,0,0,0|1,0,1]=4 4676 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 7a_100011216702_100000230027 [0,2,0,0,0,0|1,0,1]=4 4677 B13R0.280 C=CCCCCCOCCS(=O)(=O)N 34a_100012334274_100000700193 [0,2,0,0,0,0|1,0,1]=4 4678 B13R0.280 C=CCCCCCOCCS(=O)(=O)[O-] 34a_100011216702_100000762736 [0,2,0,0,0,0|1,0,1]=4 4679 B13R0.280 C=CCCCCCSCCC(C)(C)O 62a_100000700193_100000702414 [0,2,0,0,0,0|1,0,1]=4 4680 B13R0.280 C=CCCCCCSCCC(C)(C)O 62a_100000702414_100000700193 [0,2,0,0,0,0|1,0,1]=4 4681 B13R0.280 C=CCCCCCSCCS(=O)(=O)C 62a_100000700193_100000230027 [0,2,0,0,0,0|1,0,1]=4 4682 B13R0.280 C=CCCCCCSCCS(=O)(=O)C 62a_100000731031_100000700193 [0,2,0,0,0,0|1,0,1]=4 4683 B13R0.280 C=CCCCCCSCCS(=O)(=O)[O-] 62a_100000700193_100000762736 [0,2,0,0,0,0|1,0,1]=4 4684 B13R0.280 C=CCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000700193 [0,2,0,0,0,0|1,0,1]=4 4685 B13R0.280 C=CCCCCNCCCC(C)(C)O 2230a_100000703577_100009888830 [0,2,0,0,0,0|1,0,1]=4 4686 B13R0.280 C=CCCCCNCCCC(C)(C)O 34a_100000703577_100009888830 [0,2,0,0,0,0|1,0,1]=4 4687 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 2230a_100000703577_100000754308 [0,2,0,0,0,0|1,0,1]=4 4688 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 2230a_100000742409_100011215482 [0,2,0,0,0,0|1,0,1]=4 4689 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 34a_100000703577_100000754308 [0,2,0,0,0,0|1,0,1]=4 4690 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 34a_100000742409_100011215482 [0,2,0,0,0,0|1,0,1]=4 4691 B13R0.280 C=CCCCCNCCCS(=O)(=O)N 2230a_100000703577_100000750626 [0,2,0,0,0,0|1,0,1]=4 4692 B13R0.280 C=CCCCCNCCCS(=O)(=O)N 34a_100000703577_100000750626 [0,2,0,0,0,0|1,0,1]=4 4693 B13R0.280 C=CCCCCNCCCS(=O)(=O)[O-] 34a_100000703577_100009813499 [0,2,0,0,0,0|1,0,1]=4 4694 B13R0.280 C=CCCCCOCCCC(C)(C)O 34a_100000766645_100009888830 [0,2,0,0,0,0|1,0,1]=4 4695 B13R0.280 C=CCCCCOCCCC(C)(C)O 7a_100000766645_100009888830 [0,2,0,0,0,0|1,0,1]=4 4696 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 34a_100000689940_100011215482 [0,2,0,0,0,0|1,0,1]=4 4697 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 34a_100000766645_100000754308 [0,2,0,0,0,0|1,0,1]=4 4698 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 7a_100000689940_100011215482 [0,2,0,0,0,0|1,0,1]=4 4699 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 7a_100000766645_100000754308 [0,2,0,0,0,0|1,0,1]=4 4700 B13R0.280 C=CCCCCOCCCS(=O)(=O)N 34a_100000766645_100000750626 [0,2,0,0,0,0|1,0,1]=4 4701 B13R0.280 C=CCCCCOCCCS(=O)(=O)N 7a_100000766645_100000750626 [0,2,0,0,0,0|1,0,1]=4 4702 B13R0.280 C=CCCCCOCCCS(=O)(=O)[O-] 34a_100000766645_100009813499 [0,2,0,0,0,0|1,0,1]=4 4703 B13R0.280 C=CCCCCSCCCC(C)(C)O 62a_100009888830_100011215482 [0,2,0,0,0,0|1,0,1]=4 4704 B13R0.280 C=CCCCCSCCCC(C)(C)O 62a_100011215482_100009888830 [0,2,0,0,0,0|1,0,1]=4 4705 B13R0.280 C=CCCCCSCCCS(=O)(=O)C 62a_100000754308_100011215482 [0,2,0,0,0,0|1,0,1]=4 4706 B13R0.280 C=CCCCCSCCCS(=O)(=O)C 62a_100011215482_100000754308 [0,2,0,0,0,0|1,0,1]=4 4707 B13R0.280 C=CCCCCSCCCS(=O)(=O)N 62a_100000750626_100011215482 [0,2,0,0,0,0|1,0,1]=4 4708 B13R0.280 C=CCCCCSCCCS(=O)(=O)N 62a_100011215482_100000750626 [0,2,0,0,0,0|1,0,1]=4 4709 B13R0.280 C=CCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100011215482 [0,2,0,0,0,0|1,0,1]=4 4710 B13R0.280 C=CCCCCSCCCS(=O)(=O)[O-] 62a_100011215482_100009813499 [0,2,0,0,0,0|1,0,1]=4 4711 B13R0.280 C=CCCNCCCCCC(C)(C)O 2230a_100015191253_100010402123 [0,2,0,0,0,0|1,0,1]=4 4712 B13R0.280 C=CCCOCCCCCC(C)(C)O 34a_100011205117_100010402123 [0,2,0,0,0,0|1,0,1]=4 4713 B13R0.280 C=CCCSCCCCCC(C)(C)O 62a_100000754431_100010402123 [0,2,0,0,0,0|1,0,1]=4 4714 B13R0.280 C=CCCSCCCCCC(C)(C)O 62a_100010402123_100000754431 [0,2,0,0,0,0|1,0,1]=4 4715 B13R0.88 C/C=C/C(C)OCCCCCC(=O)N 34a_200102604097_100009817443 [0,2,0,0,0,0|2,0,0]=4 4716 B13R0.88 C=CCC(=O)CCCCCCB(O)O 1458a_100000210193_100009817187 [0,2,0,0,0,0|1,0,1]=4 4717 B13R0.88 C=CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210623 [0,2,0,0,0,0|1,0,1]=4 4718 B13R0.88 C=CCC(=O)CCCCCOC(=O)C 1458a_100000210193_100000033007 [0,2,0,0,0,0|1,0,1]=4 4719 B13R0.88 C=CCC(C)COCCCCB(O)O 34a_100009832082_200009817182 [0,2,0,0,0,0|1,0,1]=4 4720 B13R0.88 C=CCC(C)COCCCCB(O)O 7a_100009832082_200009817182 [0,2,0,0,0,0|1,0,1]=4 4721 B13R0.88 C=CCC(C)COCCCCC(=O)C 34a_100009832082_100009817362 [0,2,0,0,0,0|1,0,0]=3 4722 B13R0.88 C=CCC(C)COCCCCC(=O)C 7a_100009832082_100000735457 [0,2,0,0,0,0|1,0,0]=3 4723 B13R0.88 C=CCC(C)COCCCOC(=O)C 34a_100009832082_100000042594 [0,2,0,0,0,0|2,0,0]=4 4724 B13R0.88 C=CCC(C)COCCCOC(=O)C 7a_100009832082_100000042594 [0,2,0,0,0,0|2,0,0]=4 4725 B13R0.88 C=CCC(C)COCCCSC(=O)C 34a_100009832082_100000038929 [0,2,0,0,0,0|2,0,0]=4 4726 B13R0.88 C=CCC(C)COCCCSC(=O)C 7a_100009832082_100000038929 [0,2,0,0,0,0|2,0,0]=4 4727 B13R0.88 C=CCC(C)COCCOCC(=O)N 34a_100009832082_100000076697 [0,2,0,0,0,0|2,0,0]=4 4728 B13R0.88 C=CCC(C)COCCOCC(=O)N 7a_100009832082_100000076697 [0,2,0,0,0,0|2,0,0]=4 4729 B13R0.88 C=CCN(C)CCCCCCB(O)O 2230a_100000225617_100009817187 [0,2,0,0,0,0|1,0,1]=4 4730 B13R0.88 C=CCN(C)CCCCCCB(O)O 269982a_100000225617_100009817187 [0,2,0,0,0,0|1,0,1]=4 4731 B13R0.88 C=CCN(C)CCCCCOC(=O)C 2230a_100000225617_100009813381 [0,2,0,0,0,0|2,0,0]=4 4732 B13R0.88 C=CCN(C)CCCCCOC(=O)C 269982a_100000225617_100000033007 [0,2,0,0,0,0|2,0,0]=4 4733 B13R0.88 C=CC[C@@H](C)OCCCCCB(O)O 34a_100000731007_200009817188 [0,2,0,0,0,0|1,0,1]=4 4734 B13R0.88 C=CC[C@@H](C)OCCCCCB(O)O 7a_100000731007_200009817188 [0,2,0,0,0,0|1,0,1]=4 4735 B13R0.88 C=CC[C@@H](C)OCCCCCC(=O)N 34a_100000731007_100009817443 [0,2,0,0,0,0|1,0,0]=3 4736 B13R0.88 C=CC[C@@H](C)OCCCCCC(=O)N 7a_100000731007_100009817443 [0,2,0,0,0,0|1,0,0]=3 4737 B13R0.88 C=CC[C@@H](C)OCCCCOC(=O)C 34a_100000731007_100000033659 [0,2,0,0,0,0|2,0,0]=4 4738 B13R0.88 C=CC[C@@H](C)OCCCCOC(=O)C 7a_100000731007_100000033659 [0,2,0,0,0,0|2,0,0]=4 4739 B13R0.88 C=CC[C@@H](C)OCCCCSC(=O)C 34a_100000731007_200010402107 [0,2,0,0,0,0|2,0,0]=4 4740 B13R0.88 C=CC[C@@H](C)OCCCCSC(=O)C 7a_100000731007_200010402107 [0,2,0,0,0,0|2,0,0]=4 4741 B13R0.88 C=CC[C@@H](N)COCCCCB(O)O 34a_100020615467_200009817182 [0,2,0,0,0,0|1,0,1]=4 4742 B13R0.88 C=CC[C@@H](N)COCCCCC(=O)C 34a_100020615467_100009817362 [0,2,0,0,0,0|1,0,0]=3 4743 B13R0.88 C=CC[C@@H](N)COCCCOC(=O)C 34a_100020615467_100000042594 [0,2,0,0,0,0|2,0,0]=4 4744 B13R0.88 C=CC[C@@H](N)COCCCSC(=O)C 34a_100020615467_100000038929 [0,2,0,0,0,0|2,0,0]=4 4745 B13R0.88 C=CC[C@@H](N)COCCOCC(=O)N 34a_100020615467_100000076697 [0,2,0,0,0,0|2,0,0]=4 4746 B13R0.101 C=CC(C)C(=O)CCCCCC(=O)N 1458a_100011216780_100009817443 [0,2,0,0,0,0|1,0,1]=4 4747 B13R0.101 C=C[C@@H](C)[C@@H](C)OCCCCC(=O)C 34a_100015455354_100009817362 [0,2,0,0,0,0|2,0,0]=4 4748 B13R0.101 C=C[C@@H](C)[C@@H](C)OCCCCC(=O)C 7a_100015455354_100000735457 [0,2,0,0,0,0|2,0,0]=4 4749 B13R0.180 CC(=O)CCCCNCC(C)C(=O)O 269956a_100000749485_100000735457 [0,2,0,0,0,0|1,0,1]=4 4750 B13R0.180 CC(=O)CCCCNCC(F)C(=O)O 269956a_100000084737_100000735457 [0,2,0,0,0,0|1,0,1]=4 4751 B13R0.180 C[C@H](NCCCCCC(=O)N)C(=O)O 269956a_100000743915_100009817443 [0,2,0,0,0,0|2,0,0]=4 4752 B13R0.201 C=CC(=O)CCCCCCC(=O)OC 1458a_100000185746_100009815986 [0,2,0,0,0,0|0,0,1]=3 4753 B13R0.201 C=CC(C)COCCCCC(=O)OC 34a_100011215527_100000204269 [0,2,0,0,0,0|1,0,0]=3 4754 B13R0.201 C=CC(C)COCCCCC(=O)OC 7a_100011215527_100000204269 [0,2,0,0,0,0|1,0,0]=3 4755 B13R0.201 C=CC(C)COCCOCC(=O)OC 34a_100011215527_100000090808 [0,2,0,0,0,0|2,0,0]=4 4756 B13R0.201 C=CC(C)COCCOCC(=O)OC 7a_100011215527_100000090808 [0,2,0,0,0,0|2,0,0]=4 4757 B13R0.201 C=CC(C)OCCCCCC(=O)OC 34a_100000695699_100009816466 [0,2,0,0,0,0|1,0,0]=3 4758 B13R0.201 C=CC(C)SCCCCCC(=O)OC 62a_100011215867_100009816466 [0,2,0,0,0,0|1,0,0]=3 4759 B13R0.201 C=CC(O)COCCCCC(=O)OC 34a_100000059025_100000730141 [0,2,0,0,0,0|1,0,0]=3 4760 B13R0.201 C=CC(O)COCCCCC(=O)OC 7a_100000059025_100000730141 [0,2,0,0,0,0|1,0,0]=3 4761 B13R0.201 C=CC(O)CSCCCCC(=O)OC 62a_100000204269_100000730141 [0,2,0,0,0,0|1,0,0]=3 4762 B13R0.201 C=CC(O)CSCCCCC(=O)OC 62a_100000730141_100000204269 [0,2,0,0,0,0|1,0,0]=3 4763 B13R0.201 C=CC(O)CSCCOCC(=O)OC 62a_100000090808_100000730141 [0,2,0,0,0,0|2,0,0]=4 4764 B13R0.201 C=CC(O)CSCCOCC(=O)OC 62a_100000730141_100000090808 [0,2,0,0,0,0|2,0,0]=4 4765 B13R0.201 C=C[C@H](N)COCCCCC(=O)OC 34a_100016989147_100000204269 [0,2,0,0,0,0|1,0,0]=3 4766 B13R0.201 C=C[C@H](N)COCCOCC(=O)OC 34a_100016989147_100000090808 [0,2,0,0,0,0|2,0,0]=4 4767 B13R0.291 C=CC(C)(C)OCCCCCC(=O)N 34a_100011215311_100009817443 [0,2,0,0,0,0|2,0,0]=4 4768 B13R0.291 C=CC(C)(C)OCCCCCC(=O)N 7a_100011215311_100009817443 [0,2,0,0,0,0|2,0,0]=4 4769 B13R0.291 C=CC(F)(F)SCCCCCC(=O)N 62a_100009814244_100009817443 [0,2,0,0,0,0|2,0,0]=4 4770 B13R0.291 C=CC(F)(F)SCCCCCC(=O)N 62a_100009817443_100009814244 [0,2,0,0,0,0|2,0,0]=4 4771 B13R0.493 C=CC(O)COC(C)CCCC(=O)[O-] 7a_100000761597_100000730141 [0,2,0,0,0,0|1,0,1]=4 4772 B13R0.1120 C=CC(C=C)OCCCCCC(=O)N 34a_100000033096_100009817443 [0,2,0,0,0,0|2,0,0]=4 4773 B13R0.1120 C=CC(CC)OCCCCCC(=O)N 34a_100000766422_100009817443 [0,2,0,0,0,0|2,0,0]=4 4774 B13R0.1120 C=CC(CC)OCCCCCC(=O)N 7a_100000766422_100009817443 [0,2,0,0,0,0|2,0,0]=4 4775 B13R0.1120 C=C[C@@H](CO)NCCCCCC(=O)N 2230a_100016989147_100009817443 [0,2,0,0,0,0|2,0,0]=4 4776 B13R0.1120 C=C[C@@H](CO)NCCCCCC(=O)N 34a_100016989147_100009817443 [0,2,0,0,0,0|2,0,0]=4 4777 B13R0.1 C#CCCCCN(C)CCCC(=O)O 269956a_100000719178_100010269958 [0,2,0,0,0,0|0,0,2]=4 4778 B13R0.1 C=CCCCCC(=O)CCCC(=O)C 1458a_100011215552_100011215641 [0,2,0,0,0,0|1,0,0]=3 4779 B13R0.1 C=CCCCCC(=O)CCCC(=O)N 1458a_100011215552_100102525003 [0,2,0,0,0,0|1,0,0]=3 4780 B13R0.1 C=CCCCCC(=O)CCCC(C)O 1458a_100011215552_200000718107 [0,2,0,0,0,0|1,0,1]=4 4781 B13R0.1 C=CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215482 [0,2,0,0,0,0|1,0,1]=4 4782 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011215482 [0,2,0,0,0,0|1,0,1]=4 4783 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100011215552_100000189650 [0,2,0,0,0,0|1,0,1]=4 4784 B13R0.1 C=CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100011215482 [0,2,0,0,0,0|1,0,1]=4 4785 B13R0.1 C=CCCCCC(=O)CCNC(=O)N 1458a_100011215552_200000034859 [0,2,0,0,0,0|1,0,1]=4 4786 B13R0.1 C=CCCCCC(=O)CCOC(=O)C 1458a_100011215552_100009814007 [0,2,0,0,0,0|1,0,1]=4 4787 B13R0.1 C=CCCCCC(=O)CCOC(=O)N 1458a_100011215552_200011214921 [0,2,0,0,0,0|1,0,1]=4 4788 B13R0.1 C=CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215482 [0,2,0,0,0,0|1,0,1]=4 4789 B13R0.1 C=CCCCCC(=O)COCC(=O)N 1458a_100011219004_100011215482 [0,2,0,0,0,0|1,0,1]=4 4790 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 11a_100000740010_100011215552 [0,2,0,0,0,0|1,0,1]=4 4791 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100011215552 [0,2,0,0,0,0|1,0,1]=4 4792 B13R0.1 C=CCCCCC(=O)NCCC(=O)N 527a_100000740010_100011215552 [0,2,0,0,0,0|1,0,1]=4 4793 B13R0.1 C=CCCCCN(C)CCCC(=O)C 269982a_100012000471_100011215641 [0,2,0,0,0,0|1,0,0]=3 4794 B13R0.1 C=CCCCCN(C)CCCC(=O)N 269982a_100012000471_100102525003 [0,2,0,0,0,0|1,0,0]=3 4795 B13R0.1 C=CCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215482 [0,2,0,0,0,0|0,0,0]=2 4796 B13R0.1 C=CCCCCN(C)CCCC(C)O 2230a_100012000471_200000718107 [0,2,0,0,0,0|1,0,1]=4 4797 B13R0.1 C=CCCCCN(C)CCCC(C)O 269982a_100012000471_200000718107 [0,2,0,0,0,0|1,0,1]=4 4798 B13R0.1 C=CCCCCN(C)CCNC(=O)C 2230a_100012000471_100000189650 [0,2,0,0,0,0|2,0,0]=4 4799 B13R0.1 C=CCCCCN(C)CCNC(=O)C 269982a_100012000471_100000189650 [0,2,0,0,0,0|2,0,0]=4 4800 B13R0.1 C=CCCCCN(C)CCNC(=O)N 2230a_100012000471_200000034859 [0,2,0,0,0,0|2,0,0]=4 4801 B13R0.1 C=CCCCCN(C)CCNC(=O)N 269982a_100012000471_200000034859 [0,2,0,0,0,0|2,0,0]=4 4802 B13R0.1 C=CCCCCN(C)CCOC(=O)C 269982a_100012000471_100009814007 [0,2,0,0,0,0|2,0,0]=4 4803 B13R0.1 C=CCCCCN(C)CCOC(=O)N 269982a_100012000471_200011214921 [0,2,0,0,0,0|2,0,0]=4 4804 B13R0.1 C=CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000757094 [0,2,0,0,0,0|0,0,1]=3 4805 B13R0.1 C=CCOCCC(=O)CCCC(=O)C 1458a_200011217002_100011215641 [0,2,0,0,0,0|1,0,1]=4 4806 B13R0.1 C=CCOCCC(=O)CCCC(=O)N 1458a_200011217002_100102525003 [0,2,0,0,0,0|1,0,1]=4 4807 B13R0.1 C=COCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000039644 [0,2,0,0,0,0|1,0,1]=4 4808 B13R0.1 CC(CCCC(=O)[O-])OCCCC=O 7a_100000761597_200011292268 [0,2,0,0,0,0|1,0,1]=4 4809 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,2,0,0,0,0|0,0,2]=4 4810 B13R0.1 CN(CCCCC#N)CCCC(=O)O 269956a_100000719178_100011219923 [0,2,0,0,0,0|1,0,1]=4 4811 B13R0.1 CN(CCCCC=O)CCCC(=O)O 269956a_100000719178_100000139335 [0,2,0,0,0,0|1,0,0]=3 4812 B13R0.1 CN(CCCCCF)CCCC(=O)O 269956a_100000719178_100000729378 [0,2,0,0,0,0|1,0,1]=4 4813 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [0,2,0,0,0,0|1,0,1]=4 4814 B13R0.1 COCCCCN(C)CCCC(=O)O 269956a_100000719178_100000730899 [0,2,0,0,0,0|1,0,1]=4 4815 B13R0.194 C=CCCCC(=O)CCCC(=O)NC 1458a_100000766728_100000741757 [0,2,0,0,0,0|1,0,1]=4 4816 B13R0.194 C=CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757094 [0,2,0,0,0,0|0,0,1]=3 4817 B13R0.194 C=CCCCC(=O)CCCC(=O)OC 1458a_100000766728_100011218270 [0,2,0,0,0,0|0,0,1]=3 4818 B13R0.194 C=CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000757094 [0,2,0,0,0,0|1,0,1]=4 4819 B13R0.194 C=CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000766728 [0,2,0,0,0,0|1,0,1]=4 4820 B13R0.194 C=CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000757094 [0,2,0,0,0,0|1,0,0]=3 4821 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 11a_100015191253_100000239890 [0,2,0,0,0,0|1,0,1]=4 4822 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 1626a_100015191253_100000239890 [0,2,0,0,0,0|1,0,1]=4 4823 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 240690a_100015191253_100000239890 [0,2,0,0,0,0|1,0,1]=4 4824 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 527a_100015191253_100000239890 [0,2,0,0,0,0|1,0,1]=4 4825 B13R0.194 C=CCSCC(=O)CCCC(=O)OC 1458a_100000230395_100011218270 [0,2,0,0,0,0|1,0,1]=4 4826 B13R0.194 C=COCCC(=O)CCCC(=O)OC 1458a_100000239890_100000039644 [0,2,0,0,0,0|1,0,1]=4 4827 B13R0.194 C=COCCN(C)CCCC(=O)OC 269982a_100000739225_100000039644 [0,2,0,0,0,0|2,0,0]=4 4828 B13R0.194 COC(=O)CCCN(C)CCCC=O 269982a_100000739225_200011292268 [0,2,0,0,0,0|2,0,0]=4 4829 B13R0.1398 C=C(C)CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000730704 [0,2,0,0,0,0|1,0,1]=4 4830 B13R0.1398 CC(=O)CCCN(C)CCCC(=O)O 269956a_100000719178_100011215641 [0,2,0,0,0,0|1,0,1]=4 4831 B13R0.1398 CN(CCCC(=O)N)CCCC(=O)O 269956a_100000719178_100102525003 [0,2,0,0,0,0|2,0,0]=4 4832 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,2,0,0,0,0|0,0,2]=4 4833 B13R0.54 C#CCCCCCCNOCC(=O)O 269956a_100000106656_100012276617 [0,2,0,0,0,0|0,0,2]=4 4834 B13R0.54 C#CCCCCNCCOCC(=O)O 269956a_100000700818_100010269958 [0,2,0,0,0,0|0,0,2]=4 4835 B13R0.54 C/C=C/CCOCCCCCB(O)O 34a_100016278192_200009817188 [0,2,0,0,0,0|1,0,1]=4 4836 B13R0.54 C/C=C/CCOCCCCCC(=O)N 34a_100016278192_100009817443 [0,2,0,0,0,0|1,0,0]=3 4837 B13R0.54 C/C=C/CCOCCCCOC(=O)C 34a_100016278192_100000033659 [0,2,0,0,0,0|2,0,0]=4 4838 B13R0.54 C/C=C/CCOCCCCSC(=O)C 34a_100016278192_200010402107 [0,2,0,0,0,0|2,0,0]=4 4839 B13R0.54 C/C=C/CNCCCCCNC(=O)C 34a_200012022750_100102629194 [0,2,0,0,0,0|2,0,0]=4 4840 B13R0.54 C/C=C/COCCCCCCB(O)O 34a_100016270725_100009817187 [0,2,0,0,0,0|1,0,1]=4 4841 B13R0.54 C/C=C/COCCCCCOC(=O)C 34a_100016270725_100000033007 [0,2,0,0,0,0|2,0,0]=4 4842 B13R0.54 C/C=C/CSCCCCCCB(O)O 62a_100009817187_100102629194 [0,2,0,0,0,0|1,0,1]=4 4843 B13R0.54 C/C=C/CSCCCCCCB(O)O 62a_100102629194_100009817187 [0,2,0,0,0,0|1,0,1]=4 4844 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100000033007_100102629194 [0,2,0,0,0,0|2,0,0]=4 4845 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100102629194_100000033007 [0,2,0,0,0,0|2,0,0]=4 4846 B13R0.54 C=CCCC/C=C/COCCC(=O)C 7a_200016268473_100000053229 [0,2,0,0,0,0|1,0,1]=4 4847 B13R0.54 C=CCCC/C=C/COCCC(=O)N 34a_200016268473_100000731001 [0,2,0,0,0,0|1,0,1]=4 4848 B13R0.54 C=CCCC/C=C/COCCC(=O)N 7a_200016268473_100000744528 [0,2,0,0,0,0|1,0,1]=4 4849 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,2,0,0,0,0|1,0,0]=3 4850 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [0,2,0,0,0,0|1,0,0]=3 4851 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,2,0,0,0,0|0,0,0]=2 4852 B13R0.54 C=CCCCCCCCNCC(C)O 2230a_100000210904_100012355270 [0,2,0,0,0,0|1,0,1]=4 4853 B13R0.54 C=CCCCCCCCNCC(C)O 34a_100000210904_100012355270 [0,2,0,0,0,0|1,0,1]=4 4854 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000210245_100012355270 [0,2,0,0,0,0|2,0,0]=4 4855 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000730831_100000748629 [0,2,0,0,0,0|2,0,0]=4 4856 B13R0.54 C=CCCCCCCCOCC(=C)C 7a_100000730831_100000748629 [0,2,0,0,0,0|2,0,0]=4 4857 B13R0.54 C=CCCCCCCCOCC(=C)F 34a_100000730831_100009893438 [0,2,0,0,0,0|2,0,0]=4 4858 B13R0.54 C=CCCCCCCCOCC(=C)F 34a_200010262243_100012355270 [0,2,0,0,0,0|2,0,0]=4 4859 B13R0.54 C=CCCCCCCCOCC(=C)F 7a_100000730831_100000042424 [0,2,0,0,0,0|2,0,0]=4 4860 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,2,0,0,0,0|1,0,0]=3 4861 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,2,0,0,0,0|1,0,0]=3 4862 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,2,0,0,0,0|1,0,0]=3 4863 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,2,0,0,0,0|0,0,1]=3 4864 B13R0.54 C=CCCCCCCCOCC(C)O 34a_100000730831_100011218427 [0,2,0,0,0,0|1,0,1]=4 4865 B13R0.54 C=CCCCCCCCOCC(C)O 7a_100000730831_100011218427 [0,2,0,0,0,0|1,0,1]=4 4866 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 34a_100000730831_100009817552 [0,2,0,0,0,0|1,0,1]=4 4867 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 7a_100000730831_100009817552 [0,2,0,0,0,0|1,0,1]=4 4868 B13R0.54 C=CCCCCCCCOC[N+](=O)[O-] 34a_100000730831_100000761209 [0,2,0,0,0,0|1,0,1]=4 4869 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100000748629_100012355270 [0,2,0,0,0,0|2,0,0]=4 4870 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100012355270_100000211660 [0,2,0,0,0,0|2,0,0]=4 4871 B13R0.54 C=CCCCCCCCSCC(=C)F 62a_100000042424_100012355270 [0,2,0,0,0,0|2,0,0]=4 4872 B13R0.54 C=CCCCCCCCSCC(=C)F 62a_100012355270_100000042424 [0,2,0,0,0,0|2,0,0]=4 4873 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [0,2,0,0,0,0|1,0,0]=3 4874 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [0,2,0,0,0,0|1,0,0]=3 4875 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [0,2,0,0,0,0|0,0,1]=3 4876 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [0,2,0,0,0,0|0,0,1]=3 4877 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100011218427_100012355270 [0,2,0,0,0,0|1,0,1]=4 4878 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100012355270_100011218427 [0,2,0,0,0,0|1,0,1]=4 4879 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100009817552_100012355270 [0,2,0,0,0,0|1,0,1]=4 4880 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100012355270_100009817552 [0,2,0,0,0,0|1,0,1]=4 4881 B13R0.54 C=CCCCCCCCSC[N+](=O)[O-] 62a_100012355270_100000761209 [0,2,0,0,0,0|1,0,1]=4 4882 B13R0.54 C=CCCCCCCNCC=C(C)C 34a_100000718196_100011215473 [0,2,0,0,0,0|2,0,0]=4 4883 B13R0.54 C=CCCCCCCNCCC(C)O 2230a_200000755665_100011215473 [0,2,0,0,0,0|1,0,1]=4 4884 B13R0.54 C=CCCCCCCNOCC(=O)O 269956a_100000106656_100011215473 [0,2,0,0,0,0|0,0,0]=2 4885 B13R0.54 C=CCCCCCCOCC=C(C)C 34a_100000753907_100011215473 [0,2,0,0,0,0|2,0,0]=4 4886 B13R0.54 C=CCCCCCCOCC=C(C)C 34a_200011216477_100000761012 [0,2,0,0,0,0|2,0,0]=4 4887 B13R0.54 C=CCCCCCCOCC=C(C)C 7a_200011216477_100000761012 [0,2,0,0,0,0|2,0,0]=4 4888 B13R0.54 C=CCCCCCCOCCC(=C)Br 34a_100009813270_100011215473 [0,2,0,0,0,0|2,0,0]=4 4889 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_100000764851_100011215473 [0,2,0,0,0,0|2,0,0]=4 4890 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_200011216477_100000730704 [0,2,0,0,0,0|2,0,0]=4 4891 B13R0.54 C=CCCCCCCOCCC(=C)C 7a_200011216477_100000730704 [0,2,0,0,0,0|2,0,0]=4 4892 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,2,0,0,0,0|1,0,0]=3 4893 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,2,0,0,0,0|1,0,0]=3 4894 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,2,0,0,0,0|1,0,0]=3 4895 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [0,2,0,0,0,0|1,0,0]=3 4896 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [0,2,0,0,0,0|1,0,0]=3 4897 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [0,2,0,0,0,0|1,0,0]=3 4898 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [0,2,0,0,0,0|1,0,0]=3 4899 B13R0.54 C=CCCCCCCOCCC(C)O 34a_200011216477_100012276601 [0,2,0,0,0,0|1,0,1]=4 4900 B13R0.54 C=CCCCCCCOCCC(C)O 7a_200011216477_100012276601 [0,2,0,0,0,0|1,0,1]=4 4901 B13R0.54 C=CCCCCCCOCOC(=O)C 34a_200011216477_100009813279 [0,2,0,0,0,0|1,0,0]=3 4902 B13R0.54 C=CCCCCCCSCC=C(C)C 62a_100000761012_100011215473 [0,2,0,0,0,0|2,0,0]=4 4903 B13R0.54 C=CCCCCCCSCC=C(C)C 62a_100011215473_100000761012 [0,2,0,0,0,0|2,0,0]=4 4904 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100000730704_100011215473 [0,2,0,0,0,0|2,0,0]=4 4905 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100011215473_100000730704 [0,2,0,0,0,0|2,0,0]=4 4906 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,2,0,0,0,0|1,0,0]=3 4907 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,2,0,0,0,0|1,0,0]=3 4908 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [0,2,0,0,0,0|1,0,0]=3 4909 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [0,2,0,0,0,0|1,0,0]=3 4910 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100011215473_100012276601 [0,2,0,0,0,0|1,0,1]=4 4911 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100012276601_100011215473 [0,2,0,0,0,0|1,0,1]=4 4912 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100000076356_100011215473 [0,2,0,0,0,0|1,0,0]=3 4913 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100011215473_100000076356 [0,2,0,0,0,0|1,0,0]=3 4914 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [0,2,0,0,0,0|1,0,0]=3 4915 B13R0.54 C=CCCCCCNCCCS(=O)C 2230a_200000753449_100000700193 [0,2,0,0,0,0|2,0,0]=4 4916 B13R0.54 C=CCCCCCNCCNC(=O)C 2230a_100000209853_100000700193 [0,2,0,0,0,0|1,0,0]=3 4917 B13R0.54 C=CCCCCCNCCNC(=O)N 34a_100020590234_100000700193 [0,2,0,0,0,0|1,0,0]=3 4918 B13R0.54 C=CCCCCCOCCC=C(C)C 34a_100011216702_100011217483 [0,2,0,0,0,0|2,0,0]=4 4919 B13R0.54 C=CCCCCCOCCC=C(C)C 7a_100011216702_100011217483 [0,2,0,0,0,0|2,0,0]=4 4920 B13R0.54 C=CCCCCCOCCC=C(F)F 34a_100011216702_200009816681 [0,2,0,0,0,0|2,0,0]=4 4921 B13R0.54 C=CCCCCCOCCC=C(F)F 7a_100011216702_200009816681 [0,2,0,0,0,0|2,0,0]=4 4922 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,2,0,0,0,0|1,0,0]=3 4923 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,2,0,0,0,0|1,0,0]=3 4924 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,2,0,0,0,0|1,0,0]=3 4925 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,2,0,0,0,0|1,0,0]=3 4926 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [0,2,0,0,0,0|1,0,0]=3 4927 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [0,2,0,0,0,0|1,0,0]=3 4928 B13R0.54 C=CCCCCCOCCCC(C)O 34a_100011216702_200000718107 [0,2,0,0,0,0|1,0,1]=4 4929 B13R0.54 C=CCCCCCOCCCC(C)O 7a_100011216702_200000718107 [0,2,0,0,0,0|1,0,1]=4 4930 B13R0.54 C=CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000700193 [0,2,0,0,0,0|1,0,1]=4 4931 B13R0.54 C=CCCCCCOCCNC(=O)C 34a_100000158858_100000700193 [0,2,0,0,0,0|1,0,0]=3 4932 B13R0.54 C=CCCCCCOCCNC(=O)C 7a_100011216702_100000189650 [0,2,0,0,0,0|1,0,0]=3 4933 B13R0.54 C=CCCCCCOCCNC(=O)N 34a_100000181757_100000700193 [0,2,0,0,0,0|1,0,0]=3 4934 B13R0.54 C=CCCCCCOCCNC(=O)N 7a_100011216702_200000034859 [0,2,0,0,0,0|1,0,0]=3 4935 B13R0.54 C=CCCCCCOCCOC(=O)C 34a_100011216702_100009814007 [0,2,0,0,0,0|1,0,0]=3 4936 B13R0.54 C=CCCCCCOCCOC(=O)C 7a_100011216702_100009814007 [0,2,0,0,0,0|1,0,0]=3 4937 B13R0.54 C=CCCCCCOCCOC(=O)N 34a_100011216702_200011214921 [0,2,0,0,0,0|1,0,0]=3 4938 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100000766696_100000700193 [0,2,0,0,0,0|1,0,0]=3 4939 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100011216702_200011214921 [0,2,0,0,0,0|1,0,0]=3 4940 B13R0.54 C=CCCCCCSCCC=C(C)C 62a_100000700193_100011217483 [0,2,0,0,0,0|2,0,0]=4 4941 B13R0.54 C=CCCCCCSCCC=C(C)C 62a_100011217483_100000700193 [0,2,0,0,0,0|2,0,0]=4 4942 B13R0.54 C=CCCCCCSCCC=C(F)F 62a_100000700193_200009816681 [0,2,0,0,0,0|2,0,0]=4 4943 B13R0.54 C=CCCCCCSCCC=C(F)F 62a_200009816681_100000700193 [0,2,0,0,0,0|2,0,0]=4 4944 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,2,0,0,0,0|1,0,0]=3 4945 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,2,0,0,0,0|1,0,0]=3 4946 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [0,2,0,0,0,0|1,0,0]=3 4947 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [0,2,0,0,0,0|1,0,0]=3 4948 B13R0.54 C=CCCCCCSCCCC(C)O 62a_100000700193_200000718107 [0,2,0,0,0,0|1,0,1]=4 4949 B13R0.54 C=CCCCCCSCCCC(C)O 62a_200000718107_100000700193 [0,2,0,0,0,0|1,0,1]=4 4950 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000189650_100000700193 [0,2,0,0,0,0|1,0,0]=3 4951 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000700193_100000189650 [0,2,0,0,0,0|1,0,0]=3 4952 B13R0.54 C=CCCCCCSCCNC(=O)N 62a_100000700193_200000034859 [0,2,0,0,0,0|1,0,0]=3 4953 B13R0.54 C=CCCCCCSCCNC(=O)N 62a_200000034859_100000700193 [0,2,0,0,0,0|1,0,0]=3 4954 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100000700193_100009814007 [0,2,0,0,0,0|1,0,0]=3 4955 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100009814007_100000700193 [0,2,0,0,0,0|1,0,0]=3 4956 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_100000700193_200011214921 [0,2,0,0,0,0|1,0,0]=3 4957 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_200011214921_100000700193 [0,2,0,0,0,0|1,0,0]=3 4958 B13R0.54 C=CCCCCNCCCCB(O)O 2230a_100000703577_200009817182 [0,2,0,0,0,0|1,0,1]=4 4959 B13R0.54 C=CCCCCNCCCCB(O)O 34a_100000703577_200009817182 [0,2,0,0,0,0|1,0,1]=4 4960 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,2,0,0,0,0|1,0,0]=3 4961 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [0,2,0,0,0,0|1,0,0]=3 4962 B13R0.54 C=CCCCCNCCCNC(=O)C 34a_100000736810_100011215482 [0,2,0,0,0,0|1,0,0]=3 4963 B13R0.54 C=CCCCCNCCCOC(=O)C 34a_100000703577_100000042594 [0,2,0,0,0,0|1,0,0]=3 4964 B13R0.54 C=CCCCCNCCCOC(=S)C 2230a_100000703577_200135323944 [0,2,0,0,0,0|1,1,0]=4 4965 B13R0.54 C=CCCCCNCCCOC(=S)C 34a_100000703577_200135323944 [0,2,0,0,0,0|1,1,0]=4 4966 B13R0.54 C=CCCCCNCCCSC(=O)C 2230a_100000703577_100000038929 [0,2,0,0,0,0|1,0,0]=3 4967 B13R0.54 C=CCCCCNCCCSC(=O)C 34a_100000703577_100000038929 [0,2,0,0,0,0|1,0,0]=3 4968 B13R0.54 C=CCCCCNCCOCC(=O)N 2230a_100000703577_100000076697 [0,2,0,0,0,0|1,0,0]=3 4969 B13R0.54 C=CCCCCNCCOCC(=O)N 34a_100000703577_100000076697 [0,2,0,0,0,0|1,0,0]=3 4970 B13R0.54 C=CCCCCNCCOCC(=O)O 269956a_100000700818_100011215482 [0,2,0,0,0,0|0,0,0]=2 4971 B13R0.54 C=CCCCCOCCCCB(O)O 34a_100000766645_200009817182 [0,2,0,0,0,0|1,0,1]=4 4972 B13R0.54 C=CCCCCOCCCCB(O)O 7a_100000766645_200009817182 [0,2,0,0,0,0|1,0,1]=4 4973 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,2,0,0,0,0|1,0,0]=3 4974 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,2,0,0,0,0|1,0,0]=3 4975 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [0,2,0,0,0,0|1,0,0]=3 4976 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [0,2,0,0,0,0|1,0,0]=3 4977 B13R0.54 C=CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011215482 [0,2,0,0,0,0|1,0,1]=4 4978 B13R0.54 C=CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215482 [0,2,0,0,0,0|1,0,1]=4 4979 B13R0.54 C=CCCCCOCCCNC(=O)C 34a_100000752032_100011215482 [0,2,0,0,0,0|1,0,0]=3 4980 B13R0.54 C=CCCCCOCCCOC(=O)C 34a_100000766645_100000042594 [0,2,0,0,0,0|1,0,0]=3 4981 B13R0.54 C=CCCCCOCCCOC(=O)C 7a_100000766645_100000042594 [0,2,0,0,0,0|1,0,0]=3 4982 B13R0.54 C=CCCCCOCCCOC(=S)C 34a_100000766645_200135323944 [0,2,0,0,0,0|1,1,0]=4 4983 B13R0.54 C=CCCCCOCCCOC(=S)C 7a_100000766645_200135323944 [0,2,0,0,0,0|1,1,0]=4 4984 B13R0.54 C=CCCCCOCCCSC(=O)C 34a_100000766645_100000038929 [0,2,0,0,0,0|1,0,0]=3 4985 B13R0.54 C=CCCCCOCCCSC(=O)C 7a_100000766645_100000038929 [0,2,0,0,0,0|1,0,0]=3 4986 B13R0.54 C=CCCCCOCCOCC(=O)N 34a_100000766645_100000076697 [0,2,0,0,0,0|1,0,0]=3 4987 B13R0.54 C=CCCCCOCCOCC(=O)N 7a_100000766645_100000076697 [0,2,0,0,0,0|1,0,0]=3 4988 B13R0.54 C=CCCCCSCCCCB(O)O 62a_100011215482_200009817182 [0,2,0,0,0,0|1,0,1]=4 4989 B13R0.54 C=CCCCCSCCCCB(O)O 62a_200009817182_100011215482 [0,2,0,0,0,0|1,0,1]=4 4990 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,2,0,0,0,0|1,0,0]=3 4991 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,2,0,0,0,0|1,0,0]=3 4992 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100000042594_100011215482 [0,2,0,0,0,0|1,0,0]=3 4993 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100011215482_100000042594 [0,2,0,0,0,0|1,0,0]=3 4994 B13R0.54 C=CCCCCSCCCOC(=S)C 62a_100011215482_200135323944 [0,2,0,0,0,0|1,1,0]=4 4995 B13R0.54 C=CCCCCSCCCOC(=S)C 62a_200135323944_100011215482 [0,2,0,0,0,0|1,1,0]=4 4996 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100000038929_100011215482 [0,2,0,0,0,0|1,0,0]=3 4997 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100011215482_100000038929 [0,2,0,0,0,0|1,0,0]=3 4998 B13R0.54 C=CCCCCSCCOCC(=O)N 62a_100000076697_100011215482 [0,2,0,0,0,0|1,0,0]=3 4999 B13R0.54 C=CCCCCSCCOCC(=O)N 62a_100011215482_100000076697 [0,2,0,0,0,0|1,0,0]=3 5000 B13R0.54 C=CCCCNCCCCCB(O)O 2230a_100000700776_200009817188 [0,2,0,0,0,0|1,0,1]=4 5001 B13R0.54 C=CCCCNCCCCCB(O)O 34a_100000700776_200009817188 [0,2,0,0,0,0|1,0,1]=4 5002 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [0,2,0,0,0,0|1,0,0]=3 5003 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [0,2,0,0,0,0|1,0,0]=3 5004 B13R0.54 C=CCCCNCCCCNC(=O)C 2230a_200011368371_100011713584 [0,2,0,0,0,0|1,0,0]=3 5005 B13R0.54 C=CCCCNCCCCNC(=O)C 34a_200011368371_100000757094 [0,2,0,0,0,0|1,0,0]=3 5006 B13R0.54 C=CCCCNCCCCOC(=O)C 34a_100000700776_100000033659 [0,2,0,0,0,0|1,0,0]=3 5007 B13R0.54 C=CCCCNCCCCO[N+](=O)[O-] 34a_100000700776_100015694321 [0,2,0,0,0,0|1,0,1]=4 5008 B13R0.54 C=CCCCNCCCCSC(=O)C 2230a_100000700776_200010402107 [0,2,0,0,0,0|1,0,0]=3 5009 B13R0.54 C=CCCCNCCCCSC(=O)C 34a_100000700776_200010402107 [0,2,0,0,0,0|1,0,0]=3 5010 B13R0.54 C=CCCCNCOCCOC(=O)C 34a_100000700776_100000076355 [0,2,0,0,0,0|2,0,0]=4 5011 B13R0.54 C=CCCCOCCCCCB(O)O 34a_100000758997_200009817188 [0,2,0,0,0,0|1,0,1]=4 5012 B13R0.54 C=CCCCOCCCCCB(O)O 7a_100000758997_200009817188 [0,2,0,0,0,0|1,0,1]=4 5013 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [0,2,0,0,0,0|1,0,0]=3 5014 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [0,2,0,0,0,0|1,0,0]=3 5015 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [0,2,0,0,0,0|1,0,0]=3 5016 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [0,2,0,0,0,0|1,0,0]=3 5017 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [0,2,0,0,0,0|0,0,1]=3 5018 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000073216_100000757094 [0,2,0,0,0,0|1,0,0]=3 5019 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000758997_100000033659 [0,2,0,0,0,0|1,0,0]=3 5020 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000073216_100000757094 [0,2,0,0,0,0|1,0,0]=3 5021 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000758997_100000033659 [0,2,0,0,0,0|1,0,0]=3 5022 B13R0.54 C=CCCCOCCCCO[N+](=O)[O-] 34a_100000758997_100015694321 [0,2,0,0,0,0|1,0,1]=4 5023 B13R0.54 C=CCCCOCCCCO[N+](=O)[O-] 7a_100000758997_100015694321 [0,2,0,0,0,0|1,0,1]=4 5024 B13R0.54 C=CCCCOCCCCSC(=O)C 34a_100000758997_200010402107 [0,2,0,0,0,0|1,0,0]=3 5025 B13R0.54 C=CCCCOCCCCSC(=O)C 7a_100000758997_200010402107 [0,2,0,0,0,0|1,0,0]=3 5026 B13R0.54 C=CCCCOCOCCOC(=O)C 34a_100000758997_100000076355 [0,2,0,0,0,0|2,0,0]=4 5027 B13R0.54 C=CCCCSCCCCCB(O)O 62a_100011713584_200009817188 [0,2,0,0,0,0|1,0,1]=4 5028 B13R0.54 C=CCCCSCCCCCB(O)O 62a_200009817188_100000757094 [0,2,0,0,0,0|1,0,1]=4 5029 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [0,2,0,0,0,0|1,0,0]=3 5030 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [0,2,0,0,0,0|1,0,0]=3 5031 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100000033659_100000757094 [0,2,0,0,0,0|1,0,0]=3 5032 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100011713584_100000033659 [0,2,0,0,0,0|1,0,0]=3 5033 B13R0.54 C=CCCCSCCCCO[N+](=O)[O-] 62a_100011713584_100015694321 [0,2,0,0,0,0|1,0,1]=4 5034 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_100011713584_200010402107 [0,2,0,0,0,0|1,0,0]=3 5035 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_200010402107_100000757094 [0,2,0,0,0,0|1,0,0]=3 5036 B13R0.54 C=CCCCSCOCCOC(=O)C 62a_100000076355_100000757094 [0,2,0,0,0,0|2,0,0]=4 5037 B13R0.54 C=CCCCSCOCCOC(=O)C 62a_100011713584_100000076355 [0,2,0,0,0,0|2,0,0]=4 5038 B13R0.54 C=CCCNCCCCCCB(O)O 2230a_100015191253_100009817187 [0,2,0,0,0,0|1,0,1]=4 5039 B13R0.54 C=CCCNCCCCCNC(=O)C 2230a_200012022750_100000754431 [0,2,0,0,0,0|1,0,0]=3 5040 B13R0.54 C=CCCNCCCCCNC(=O)C 34a_200012022750_100000754431 [0,2,0,0,0,0|1,0,0]=3 5041 B13R0.54 C=CCCNCCCCCOC(=O)C 2230a_100015191253_100009813381 [0,2,0,0,0,0|1,0,0]=3 5042 B13R0.54 C=CCCNCCOCCOC(=O)C 2230a_100015191253_200000083610 [0,2,0,0,0,0|2,0,0]=4 5043 B13R0.54 C=CCCOCCCCCCB(O)O 34a_100011205117_100009817187 [0,2,0,0,0,0|1,0,1]=4 5044 B13R0.54 C=CCCOCCCCCOC(=O)C 34a_100011205117_100000033007 [0,2,0,0,0,0|1,0,0]=3 5045 B13R0.54 C=CCCOCCOCCOC(=O)C 34a_100011205117_200000083610 [0,2,0,0,0,0|2,0,0]=4 5046 B13R0.54 C=CCCSCCCCCCB(O)O 62a_100000754431_100009817187 [0,2,0,0,0,0|1,0,1]=4 5047 B13R0.54 C=CCCSCCCCCCB(O)O 62a_100009817187_100000754431 [0,2,0,0,0,0|1,0,1]=4 5048 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000033007_100000754431 [0,2,0,0,0,0|1,0,0]=3 5049 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000754431_100000033007 [0,2,0,0,0,0|1,0,0]=3 5050 B13R0.54 C=CCCSCCOCCOC(=O)C 62a_100000754431_200000083610 [0,2,0,0,0,0|2,0,0]=4 5051 B13R0.54 C=CCCSCCOCCOC(=O)C 62a_200000083610_100000754431 [0,2,0,0,0,0|2,0,0]=4 5052 B13R0.54 C=CCNCCCCCCNC(=O)C 2230a_200011996284_100000210623 [0,2,0,0,0,0|1,0,0]=3 5053 B13R0.54 C=CCNCCCCCCNC(=O)C 34a_200011996284_100015514636 [0,2,0,0,0,0|1,0,0]=3 5054 B13R0.54 C=CCNCCOCCOCC(=O)O 269956a_100009854275_100000210623 [0,2,0,0,0,0|1,0,0]=3 5055 B13R0.54 C=CCOCCOCCCCB(O)O 34a_100000037705_200009817182 [0,2,0,0,0,0|1,0,1]=4 5056 B13R0.54 C=CCOCCOCCCCB(O)O 7a_100000037705_200009817182 [0,2,0,0,0,0|1,0,1]=4 5057 B13R0.54 C=CCOCCOCCCCC(=O)C 34a_100000037705_100009817362 [0,2,0,0,0,0|1,0,0]=3 5058 B13R0.54 C=CCOCCOCCCCC(=O)C 7a_100000037705_100000735457 [0,2,0,0,0,0|1,0,0]=3 5059 B13R0.54 C=CCOCCOCCCOC(=O)C 34a_100000037705_100000042594 [0,2,0,0,0,0|2,0,0]=4 5060 B13R0.54 C=CCOCCOCCCOC(=O)C 7a_100000037705_100000042594 [0,2,0,0,0,0|2,0,0]=4 5061 B13R0.54 C=CCOCCOCCCSC(=O)C 34a_100000037705_100000038929 [0,2,0,0,0,0|2,0,0]=4 5062 B13R0.54 C=CCOCCOCCCSC(=O)C 7a_100000037705_100000038929 [0,2,0,0,0,0|2,0,0]=4 5063 B13R0.54 C=CCOCCOCCOCC(=O)N 34a_100000037705_100000076697 [0,2,0,0,0,0|2,0,0]=4 5064 B13R0.54 C=CCOCCOCCOCC(=O)N 34a_100000065479_100000187820 [0,2,0,0,0,0|2,0,0]=4 5065 B13R0.54 C=CCOCCOCCOCC(=O)N 7a_100000037705_100000076697 [0,2,0,0,0,0|2,0,0]=4 5066 B13R0.54 C=CCOCCOCCOCC(=O)N 7a_100000065479_100000187820 [0,2,0,0,0,0|2,0,0]=4 5067 B13R0.54 C=CCOCCOCCOCC(=O)[O-] 34a_100000065479_100020667443 [0,2,0,0,0,0|1,0,1]=4 5068 B13R0.54 C=COCCCCOCCCC(=O)C 34a_100000031558_100000685027 [0,2,0,0,0,0|1,0,0]=3 5069 B13R0.54 C=COCCCCOCCCC(=O)C 7a_100000031558_100011215641 [0,2,0,0,0,0|1,0,0]=3 5070 B13R0.54 C=COCCCCOCCCC(=O)N 34a_100000031558_100102525003 [0,2,0,0,0,0|1,0,0]=3 5071 B13R0.54 C=COCCCCOCCCC(=O)N 7a_100000031558_100102525003 [0,2,0,0,0,0|1,0,0]=3 5072 B13R0.54 C=COCCCCOCCCC(C)O 34a_100000031558_200000718107 [0,2,0,0,0,0|1,0,1]=4 5073 B13R0.54 C=COCCCCOCCCC(C)O 7a_100000031558_200000718107 [0,2,0,0,0,0|1,0,1]=4 5074 B13R0.54 C=COCCCCOCCNC(=O)C 7a_100000031558_100000189650 [0,2,0,0,0,0|2,0,0]=4 5075 B13R0.54 C=COCCCCOCCNC(=O)N 7a_100000031558_200000034859 [0,2,0,0,0,0|2,0,0]=4 5076 B13R0.54 C=COCCCCOCCOC(=O)C 34a_100000031558_100009814007 [0,2,0,0,0,0|2,0,0]=4 5077 B13R0.54 C=COCCCCOCCOC(=O)C 7a_100000031558_100009814007 [0,2,0,0,0,0|2,0,0]=4 5078 B13R0.54 C=COCCCCOCCOC(=O)N 34a_100000031558_200011214921 [0,2,0,0,0,0|2,0,0]=4 5079 B13R0.54 C=COCCCCOCCOC(=O)N 7a_100000031558_200011214921 [0,2,0,0,0,0|2,0,0]=4 5080 B13R0.54 C=COCCCNCCCCB(O)O 2230a_100000210767_200009817182 [0,2,0,0,0,0|1,0,1]=4 5081 B13R0.54 C=COCCCNCCCCB(O)O 34a_100000210767_200009817182 [0,2,0,0,0,0|1,0,1]=4 5082 B13R0.54 C=COCCCNCCCCC(=O)C 34a_100000210767_100009817362 [0,2,0,0,0,0|1,0,0]=3 5083 B13R0.54 C=COCCCNCCCOC(=O)C 34a_100000210767_100000042594 [0,2,0,0,0,0|2,0,0]=4 5084 B13R0.54 C=COCCCNCCCSC(=O)C 2230a_100000210767_100000038929 [0,2,0,0,0,0|2,0,0]=4 5085 B13R0.54 C=COCCCNCCCSC(=O)C 34a_100000210767_100000038929 [0,2,0,0,0,0|2,0,0]=4 5086 B13R0.54 C=COCCCNCCOCC(=O)N 2230a_100000210767_100000076697 [0,2,0,0,0,0|2,0,0]=4 5087 B13R0.54 C=COCCCNCCOCC(=O)N 34a_100000210767_100000076697 [0,2,0,0,0,0|2,0,0]=4 5088 B13R0.54 C=COCCNCCCCNC(=O)C 2230a_200011368371_100000039644 [0,2,0,0,0,0|2,0,0]=4 5089 B13R0.54 C=COCCNCCCCNC(=O)C 34a_200011368371_100000039644 [0,2,0,0,0,0|2,0,0]=4 5090 B13R0.54 C=COCCOCCCCCB(O)O 34a_100000033082_200009817188 [0,2,0,0,0,0|1,0,1]=4 5091 B13R0.54 C=COCCOCCCCCC(=O)N 34a_100000033082_100009817443 [0,2,0,0,0,0|1,0,0]=3 5092 B13R0.54 C=COCCOCCCCCC(=O)N 34a_100000123541_100000039644 [0,2,0,0,0,0|1,0,0]=3 5093 B13R0.54 C=COCCOCCCCCC(=O)N 7a_100000123541_100000039644 [0,2,0,0,0,0|1,0,0]=3 5094 B13R0.54 C=COCCOCCCCCC(=O)[O-] 7a_100102619762_100000039644 [0,2,0,0,0,0|0,0,1]=3 5095 B13R0.54 C=COCCOCCCCOC(=O)C 34a_100000033082_100000033659 [0,2,0,0,0,0|2,0,0]=4 5096 B13R0.54 C=COCCOCCCCOC(=O)C 34a_100000073216_100000039644 [0,2,0,0,0,0|2,0,0]=4 5097 B13R0.54 C=COCCOCCCCOC(=O)C 7a_100000073216_100000039644 [0,2,0,0,0,0|2,0,0]=4 5098 B13R0.54 C=COCCOCCCCSC(=O)C 34a_100000033082_200010402107 [0,2,0,0,0,0|2,0,0]=4 5099 B13R0.54 C=COCCOCCOCCC(=O)C 7a_100000039918_100000053229 [0,2,0,0,0,0|2,0,0]=4 5100 B13R0.54 C=COCCOCCOCCC(=O)N 34a_100000039918_100000731001 [0,2,0,0,0,0|2,0,0]=4 5101 B13R0.54 C=COCCOCCOCCC(=O)N 7a_100000039918_100000744528 [0,2,0,0,0,0|2,0,0]=4 5102 B13R0.54 C=COCCSCCCCCB(O)O 62a_100000039644_200009817188 [0,2,0,0,0,0|1,0,1]=4 5103 B13R0.54 C=COCCSCCCCCB(O)O 62a_200009817188_100000039644 [0,2,0,0,0,0|1,0,1]=4 5104 B13R0.54 C=COCCSCCCCCC(=O)N 62a_100000039644_100009817443 [0,2,0,0,0,0|1,0,0]=3 5105 B13R0.54 C=COCCSCCCCCC(=O)N 62a_100009817443_100000039644 [0,2,0,0,0,0|1,0,0]=3 5106 B13R0.54 C=COCCSCCCCOC(=O)C 62a_100000033659_100000039644 [0,2,0,0,0,0|2,0,0]=4 5107 B13R0.54 C=COCCSCCCCOC(=O)C 62a_100000039644_100000033659 [0,2,0,0,0,0|2,0,0]=4 5108 B13R0.54 C=COCCSCCCCSC(=O)C 62a_100000039644_200010402107 [0,2,0,0,0,0|2,0,0]=4 5109 B13R0.54 C=COCCSCCCCSC(=O)C 62a_200010402107_100000039644 [0,2,0,0,0,0|2,0,0]=4 5110 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,2,0,0,0,0|1,0,1]=4 5111 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,2,0,0,0,0|1,0,1]=4 5112 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,2,0,0,0,0|1,0,1]=4 5113 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,2,0,0,0,0|1,0,1]=4 5114 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,2,0,0,0,0|1,0,1]=4 5115 B13R0.54 CC(=O)NCCCCCCNCC=O 2230a_200011996284_200015260668 [0,2,0,0,0,0|2,0,0]=4 5116 B13R0.54 CC(=O)NCCCCCCNCC=O 34a_200011996284_200009817547 [0,2,0,0,0,0|2,0,0]=4 5117 B13R0.54 CC(=O)NCCCCNCCCC=O 2230a_200011368371_200011292268 [0,2,0,0,0,0|2,0,0]=4 5118 B13R0.54 CC(=O)NCCNCCCCCC=O 2230a_100000209853_100000139337 [0,2,0,0,0,0|2,0,0]=4 5119 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000139337_100000189650 [0,2,0,0,0,0|2,0,0]=4 5120 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000189650_100000139337 [0,2,0,0,0,0|2,0,0]=4 5121 B13R0.54 CC(=O)OCCCCOCCCC=O 7a_100000073216_200011292268 [0,2,0,0,0,0|2,0,0]=4 5122 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_100000033659_200011292268 [0,2,0,0,0,0|2,0,0]=4 5123 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_200011292268_100000033659 [0,2,0,0,0,0|2,0,0]=4 5124 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000042594_100000139335 [0,2,0,0,0,0|2,0,0]=4 5125 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000139335_100000042594 [0,2,0,0,0,0|2,0,0]=4 5126 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100000139337_100009814007 [0,2,0,0,0,0|2,0,0]=4 5127 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100009814007_100000139337 [0,2,0,0,0,0|2,0,0]=4 5128 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200010402107_200011292268 [0,2,0,0,0,0|2,0,0]=4 5129 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200011292268_200010402107 [0,2,0,0,0,0|2,0,0]=4 5130 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000038929_100000139335 [0,2,0,0,0,0|2,0,0]=4 5131 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000139335_100000038929 [0,2,0,0,0,0|2,0,0]=4 5132 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,2,0,0,0,0|2,0,0]=4 5133 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,2,0,0,0,0|2,0,0]=4 5134 B13R0.54 CC/C=C/CCCOCCCC(=O)N 34a_100016287902_100102525003 [0,2,0,0,0,0|2,0,0]=4 5135 B13R0.54 CC/C=C/CCCOCCCC(=O)N 7a_100016287902_100102525003 [0,2,0,0,0,0|2,0,0]=4 5136 B13R0.54 CC/C=C\CCCCCOCC(=O)N 34a_100016268722_100000187820 [0,2,0,0,0,0|2,0,0]=4 5137 B13R0.54 CC/C=C\CCCCCOCC(=O)N 7a_100016268722_100000187820 [0,2,0,0,0,0|2,0,0]=4 5138 B13R0.54 CC/C=C\CCCCCOCC(=O)[O-] 34a_100016268722_100020667443 [0,2,0,0,0,0|1,0,1]=4 5139 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,2,0,0,0,0|2,0,0]=4 5140 B13R0.54 CC/C=C\CCCCOCCC(=O)N 34a_100016287862_100000731001 [0,2,0,0,0,0|2,0,0]=4 5141 B13R0.54 CC/C=C\CCCCOCCC(=O)N 7a_100016287862_100000744528 [0,2,0,0,0,0|2,0,0]=4 5142 B13R0.54 CC/C=C\CCNCCCCC(=O)N 34a_100000696515_100015370543 [0,2,0,0,0,0|2,0,0]=4 5143 B13R0.54 CC/C=C\CCNCCOCC(=O)O 269956a_100000700818_100015370543 [0,2,0,0,0,0|2,0,0]=4 5144 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,2,0,0,0,0|2,0,0]=4 5145 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,2,0,0,0,0|2,0,0]=4 5146 B13R0.54 CC/C=C\CCOCCCCC(=O)N 34a_100012022536_100015370543 [0,2,0,0,0,0|2,0,0]=4 5147 B13R0.54 CC/C=C\CCOCCCCC(=O)N 7a_100012022536_100015370543 [0,2,0,0,0,0|2,0,0]=4 5148 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,2,0,0,0,0|2,0,0]=4 5149 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,2,0,0,0,0|2,0,0]=4 5150 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100000123541_100103147603 [0,2,0,0,0,0|2,0,0]=4 5151 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100016268518_100009817443 [0,2,0,0,0,0|2,0,0]=4 5152 B13R0.54 CC/C=C\COCCCCCC(=O)N 7a_100000123541_100103147603 [0,2,0,0,0,0|2,0,0]=4 5153 B13R0.54 CC/C=C\COCCCCCC(=O)[O-] 7a_100102619762_100103147603 [0,2,0,0,0,0|1,0,1]=4 5154 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100009817443_100103147603 [0,2,0,0,0,0|2,0,0]=4 5155 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100103147603_100009817443 [0,2,0,0,0,0|2,0,0]=4 5156 B13R0.54 CC=C=CCCOCCCCC(=O)C 34a_100011020354_100009817362 [0,2,0,0,0,0|2,0,0]=4 5157 B13R0.54 CC=CCCCOCCCCB(O)O 34a_100020645299_200009817182 [0,2,0,0,0,0|1,0,1]=4 5158 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,2,0,0,0,0|1,0,0]=3 5159 B13R0.54 CC=CCCCOCCCOC(=O)C 34a_100020645299_100000042594 [0,2,0,0,0,0|2,0,0]=4 5160 B13R0.54 CC=CCCCOCCCSC(=O)C 34a_100020645299_100000038929 [0,2,0,0,0,0|2,0,0]=4 5161 B13R0.54 CC=CCCCOCCOCC(=O)N 34a_100020645299_100000076697 [0,2,0,0,0,0|2,0,0]=4 5162 B13R0.54 CC=CCNCCCCCNC(=O)C 2230a_200012022750_100000070051 [0,2,0,0,0,0|2,0,0]=4 5163 B13R0.54 CC=CCNCCCCCNC(=O)C 34a_200012022750_100000070051 [0,2,0,0,0,0|2,0,0]=4 5164 B13R0.54 CC=CCSCCCCCCB(O)O 62a_100000070051_100009817187 [0,2,0,0,0,0|1,0,1]=4 5165 B13R0.54 CC=CCSCCCCCCB(O)O 62a_100009817187_100000070051 [0,2,0,0,0,0|1,0,1]=4 5166 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000033007_100000070051 [0,2,0,0,0,0|2,0,0]=4 5167 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000070051_100000033007 [0,2,0,0,0,0|2,0,0]=4 5168 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,2,0,0,0,0|0,0,2]=4 5169 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,2,0,0,0,0|0,0,2]=4 5170 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,2,0,0,0,0|0,0,2]=4 5171 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,2,0,0,0,0|1,0,1]=4 5172 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,2,0,0,0,0|1,0,1]=4 5173 B13R0.54 N#CCCCCCCNOCC(=O)O 269956a_100000106656_100009813337 [0,2,0,0,0,0|1,0,1]=4 5174 B13R0.54 N#CCCCCNCCOCC(=O)O 269956a_100000700818_100011219923 [0,2,0,0,0,0|1,0,1]=4 5175 B13R0.54 NC(=O)CCCCCOCCCC=O 7a_100000123541_200011292268 [0,2,0,0,0,0|1,0,1]=4 5176 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_100009817443_200011292268 [0,2,0,0,0,0|1,0,1]=4 5177 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_200011292268_100009817443 [0,2,0,0,0,0|1,0,1]=4 5178 B13R0.54 NC(=O)CCCCOCCCCC=O 7a_100012022536_100000139335 [0,2,0,0,0,0|1,0,1]=4 5179 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100000139337_100102525003 [0,2,0,0,0,0|1,0,1]=4 5180 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100102525003_100000139337 [0,2,0,0,0,0|1,0,1]=4 5181 B13R0.54 NC(=O)COCCSCCCCC=O 62a_100000076697_100000139335 [0,2,0,0,0,0|2,0,0]=4 5182 B13R0.54 NC(=O)COCCSCCCCC=O 62a_100000139335_100000076697 [0,2,0,0,0,0|2,0,0]=4 5183 B13R0.54 NC(=O)NCCSCCCCCC=O 62a_100000139337_200000034859 [0,2,0,0,0,0|2,0,0]=4 5184 B13R0.54 NC(=O)NCCSCCCCCC=O 62a_200000034859_100000139337 [0,2,0,0,0,0|2,0,0]=4 5185 B13R0.54 NC(=O)OCCOCCCCCC=O 7a_100000766696_100000139337 [0,2,0,0,0,0|2,0,0]=4 5186 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_100000139337_200011214921 [0,2,0,0,0,0|2,0,0]=4 5187 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_200011214921_100000139337 [0,2,0,0,0,0|2,0,0]=4 5188 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,2,0,0,0,0|0,0,2]=4 5189 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,2,0,0,0,0|1,0,1]=4 5190 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,2,0,0,0,0|1,0,1]=4 5191 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,2,0,0,0,0|1,0,1]=4 5192 B13R0.54 O=CCCCCNCCOCC(=O)O 269956a_100000700818_100000139335 [0,2,0,0,0,0|1,0,0]=3 5193 B13R0.54 O=CCCCOCCCCCC(=O)[O-] 7a_100102619762_200011292268 [0,2,0,0,0,0|0,0,2]=4 5194 B13R0.54 O=CCNCCOCCOCC(=O)O 269956a_100009854275_200015260668 [0,2,0,0,0,0|2,0,0]=4 5195 B13R0.119 C=CCCC(=O)CCCCCB(O)O 1458a_100000749702_200009817188 [0,2,0,0,0,0|1,0,1]=4 5196 B13R0.119 C=CCCC(=O)CCCCCC(=O)N 1458a_100000749702_100009817443 [0,2,0,0,0,0|1,0,0]=3 5197 B13R0.119 C=CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000754431 [0,2,0,0,0,0|1,0,1]=4 5198 B13R0.119 C=CCCC(=O)CCCCOC(=O)C 1458a_100000749702_100000033659 [0,2,0,0,0,0|1,0,1]=4 5199 B13R0.119 C=CCCC(=O)CCCCSC(=O)C 1458a_100000749702_200010402107 [0,2,0,0,0,0|1,0,1]=4 5200 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 11a_100000696515_100000749702 [0,2,0,0,0,0|1,0,1]=4 5201 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000749702 [0,2,0,0,0,0|1,0,1]=4 5202 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000749702 [0,2,0,0,0,0|1,0,1]=4 5203 B13R0.119 C=CCCC(=O)NCCCCC(=O)N 527a_100000696515_100000749702 [0,2,0,0,0,0|1,0,1]=4 5204 B13R0.119 C=CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000762624 [0,2,0,0,0,0|1,0,0]=3 5205 B13R0.119 C=CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000762624 [0,2,0,0,0,0|2,0,0]=4 5206 B13R0.119 C=CCCC(C)OCCCCB(O)O 34a_100000765329_200009817182 [0,2,0,0,0,0|1,0,1]=4 5207 B13R0.119 C=CCCC(C)OCCCCB(O)O 7a_100000765329_200009817182 [0,2,0,0,0,0|1,0,1]=4 5208 B13R0.119 C=CCCC(C)OCCCCC(=O)C 34a_100000765329_100009817362 [0,2,0,0,0,0|1,0,0]=3 5209 B13R0.119 C=CCCC(C)OCCCCC(=O)C 7a_100000765329_100000735457 [0,2,0,0,0,0|1,0,0]=3 5210 B13R0.119 C=CCCC(C)OCCCOC(=O)C 34a_100000765329_100000042594 [0,2,0,0,0,0|2,0,0]=4 5211 B13R0.119 C=CCCC(C)OCCCOC(=O)C 7a_100000765329_100000042594 [0,2,0,0,0,0|2,0,0]=4 5212 B13R0.119 C=CCCC(C)OCCCSC(=O)C 34a_100000765329_100000038929 [0,2,0,0,0,0|2,0,0]=4 5213 B13R0.119 C=CCCC(C)OCCCSC(=O)C 7a_100000765329_100000038929 [0,2,0,0,0,0|2,0,0]=4 5214 B13R0.119 C=CCCC(C)OCCOCC(=O)N 34a_100000765329_100000076697 [0,2,0,0,0,0|2,0,0]=4 5215 B13R0.119 C=CCCC(C)OCCOCC(=O)N 7a_100000765329_100000076697 [0,2,0,0,0,0|2,0,0]=4 5216 B13R0.119 C=CCCN(C)CCCCCB(O)O 2230a_100020639649_200009817188 [0,2,0,0,0,0|1,0,1]=4 5217 B13R0.119 C=CCCN(C)CCCCCB(O)O 269982a_100020639649_200009817188 [0,2,0,0,0,0|1,0,1]=4 5218 B13R0.119 C=CCCN(C)CCCCCC(=O)N 2230a_100020639649_100009817443 [0,2,0,0,0,0|1,0,0]=3 5219 B13R0.119 C=CCCN(C)CCCCCC(=O)N 269982a_100020639649_100009817443 [0,2,0,0,0,0|1,0,0]=3 5220 B13R0.119 C=CCCN(C)CCCCOC(=O)C 269982a_100020639649_100000033659 [0,2,0,0,0,0|2,0,0]=4 5221 B13R0.119 C=CCCN(C)CCCCSC(=O)C 2230a_100020639649_200010402107 [0,2,0,0,0,0|2,0,0]=4 5222 B13R0.119 C=CCCN(C)CCCCSC(=O)C 269982a_100020639649_200010402107 [0,2,0,0,0,0|2,0,0]=4 5223 B13R0.119 CC=CCC(=O)CCCCCC(=O)N 1458a_100121576822_100009817443 [0,2,0,0,0,0|1,0,1]=4 5224 B13R0.147 C#CC(=O)CCCCCCCCC=C 1458a_100000211873_100011933949 [0,2,0,0,0,0|1,0,0]=3 5225 B13R0.147 C#CC(O)CCCCCNCCC=C 2230a_100015191253_200010408556 [0,2,0,0,0,0|1,0,1]=4 5226 B13R0.147 C#CC(O)CCCCCOCCC=C 34a_100011205117_200010408556 [0,2,0,0,0,0|1,0,1]=4 5227 B13R0.147 C#CC(O)CCCCCSCCC=C 62a_100000754431_200010408556 [0,2,0,0,0,0|1,0,1]=4 5228 B13R0.147 C#CC(O)CCCCCSCCC=C 62a_200010408556_100000754431 [0,2,0,0,0,0|1,0,1]=4 5229 B13R0.147 C#CCCCCCCOCC(=O)OC 34a_100011217361_100000747449 [0,2,0,0,0,0|0,0,2]=4 5230 B13R0.147 C#CCCCCCCOCC(=O)OC 7a_100011217361_100000747449 [0,2,0,0,0,0|0,0,2]=4 5231 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100000747449_100012276617 [0,2,0,0,0,0|0,0,2]=4 5232 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100012276617_100000747449 [0,2,0,0,0,0|0,0,2]=4 5233 B13R0.147 C#CCCCCCOCCC(=O)OC 34a_100000766912_100000742370 [0,2,0,0,0,0|0,0,2]=4 5234 B13R0.147 C#CCCCCCOCCC(=O)OC 7a_100000766912_100000204255 [0,2,0,0,0,0|0,0,2]=4 5235 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100000204255_100012094781 [0,2,0,0,0,0|0,0,2]=4 5236 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100012094781_100000204255 [0,2,0,0,0,0|0,0,2]=4 5237 B13R0.147 C#CCCCCNCCCC(=O)OC 2230a_100000706060_100011218270 [0,2,0,0,0,0|0,0,2]=4 5238 B13R0.147 C#CCCCCNCCCC(=O)OC 34a_100000706060_100000742333 [0,2,0,0,0,0|0,0,2]=4 5239 B13R0.147 C#CCCCCOCCCC(=O)OC 34a_100000766709_100000742333 [0,2,0,0,0,0|0,0,2]=4 5240 B13R0.147 C#CCCCCOCCCC(=O)OC 7a_100000766709_100011218270 [0,2,0,0,0,0|0,0,2]=4 5241 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100010269958_100011218270 [0,2,0,0,0,0|0,0,2]=4 5242 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100011218270_100010269958 [0,2,0,0,0,0|0,0,2]=4 5243 B13R0.147 C#CCCCNCCCCC(=O)OC 34a_100000718082_100000204269 [0,2,0,0,0,0|0,0,2]=4 5244 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000059025_100000695029 [0,2,0,0,0,0|0,0,2]=4 5245 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000215630_100000204269 [0,2,0,0,0,0|0,0,2]=4 5246 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000059025_100011215417 [0,2,0,0,0,0|0,0,2]=4 5247 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000215630_100000204269 [0,2,0,0,0,0|0,0,2]=4 5248 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100000204269_100011215417 [0,2,0,0,0,0|0,0,2]=4 5249 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100011215417_100000204269 [0,2,0,0,0,0|0,0,2]=4 5250 B13R0.147 C#CCCNCCCCCC(=O)OC 34a_100000755551_100009816466 [0,2,0,0,0,0|0,0,2]=4 5251 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100000074720_100000688953 [0,2,0,0,0,0|0,0,2]=4 5252 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100011215631_100009816466 [0,2,0,0,0,0|0,0,2]=4 5253 B13R0.147 C#CCCOCCCCCC(=O)OC 7a_100000074720_100000688953 [0,2,0,0,0,0|0,0,2]=4 5254 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100000688953_100009816466 [0,2,0,0,0,0|0,0,2]=4 5255 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100009816466_100000688953 [0,2,0,0,0,0|0,0,2]=4 5256 B13R0.147 C#CCNCCCCCCC(=O)OC 34a_100000212058_100009815986 [0,2,0,0,0,0|0,0,2]=4 5257 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100000210247_100009815986 [0,2,0,0,0,0|0,0,2]=4 5258 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100009863599_100000184674 [0,2,0,0,0,0|0,0,2]=4 5259 B13R0.147 C#CCOCCCCCCC(=O)OC 7a_100009863599_100000038162 [0,2,0,0,0,0|0,0,2]=4 5260 B13R0.147 C#CCSCCCCCCC(=O)OC 62a_100000038162_100009815986 [0,2,0,0,0,0|0,0,2]=4 5261 B13R0.147 C/C=C/CCOCCCCC(=O)OC 34a_100016278192_100000204269 [0,2,0,0,0,0|1,0,0]=3 5262 B13R0.147 C/C=C/CCOCCOCC(=O)OC 34a_100016278192_100000090808 [0,2,0,0,0,0|2,0,0]=4 5263 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100000074720_100102629194 [0,2,0,0,0,0|1,0,0]=3 5264 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100016270725_100009816466 [0,2,0,0,0,0|1,0,0]=3 5265 B13R0.147 C/C=C/COCCCCCC(=O)OC 7a_100000074720_100102629194 [0,2,0,0,0,0|1,0,0]=3 5266 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100009816466_100102629194 [0,2,0,0,0,0|1,0,0]=3 5267 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100102629194_100009816466 [0,2,0,0,0,0|1,0,0]=3 5268 B13R0.147 C=CCCC/C=C/COCC(=O)OC 34a_200016268473_100000747449 [0,2,0,0,0,0|0,0,2]=4 5269 B13R0.147 C=CCCC/C=C/COCC(=O)OC 7a_200016268473_100000747449 [0,2,0,0,0,0|0,0,2]=4 5270 B13R0.147 C=CCCCCCCCCC(=O)C=C 1458a_100000185746_100011933949 [0,2,0,0,0,0|1,0,0]=3 5271 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,2,0,0,0,0|1,0,0]=3 5272 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,2,0,0,0,0|1,0,0]=3 5273 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,2,0,0,0,0|1,0,0]=3 5274 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,2,0,0,0,0|0,0,0]=2 5275 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,2,0,0,0,0|1,0,0]=3 5276 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,2,0,0,0,0|1,0,0]=3 5277 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,2,0,0,0,0|1,0,0]=3 5278 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,2,0,0,0,0|1,0,0]=3 5279 B13R0.147 C=CCCCCCCCN[C@H](C)CO 2230a_100000737577_100012355270 [0,2,0,0,0,0|1,0,1]=4 5280 B13R0.147 C=CCCCCCCCOC(C)CO 34a_100000730831_100012180447 [0,2,0,0,0,0|1,0,1]=4 5281 B13R0.147 C=CCCCCCCCOC(C)CO 7a_100000730831_100012180447 [0,2,0,0,0,0|1,0,1]=4 5282 B13R0.147 C=CCCCCCCCSC(C)CO 62a_100012180447_100012355270 [0,2,0,0,0,0|1,0,1]=4 5283 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100009879195_100012355270 [0,2,0,0,0,0|1,0,1]=4 5284 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100012355270_100009879195 [0,2,0,0,0,0|1,0,1]=4 5285 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100012355270_100016084084 [0,2,0,0,0,0|1,0,1]=4 5286 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100016084084_100012355270 [0,2,0,0,0,0|1,0,1]=4 5287 B13R0.147 C=CCCCCCCNCC(=O)NC 2230a_100000693194_100011215473 [0,2,0,0,0,0|1,0,0]=3 5288 B13R0.147 C=CCCCCCCNCC(C)CO 34a_100000744482_100011215473 [0,2,0,0,0,0|1,0,1]=4 5289 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [0,2,0,0,0,0|1,0,1]=4 5290 B13R0.147 C=CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215473 [0,2,0,0,0,0|1,0,1]=4 5291 B13R0.147 C=CCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215473 [0,2,0,0,0,0|1,0,1]=4 5292 B13R0.147 C=CCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215473 [0,2,0,0,0,0|0,0,2]=4 5293 B13R0.147 C=CCCCCCCOCC(=C)C#N 34a_200011216477_100000694840 [0,2,0,0,0,0|2,0,0]=4 5294 B13R0.147 C=CCCCCCCOCC(=O)CC 34a_100000725409_100011215473 [0,2,0,0,0,0|1,0,0]=3 5295 B13R0.147 C=CCCCCCCOCC(=O)CC 7a_200011216477_100000747405 [0,2,0,0,0,0|1,0,0]=3 5296 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_100000750040_100011215473 [0,2,0,0,0,0|1,0,0]=3 5297 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_200011216477_100000183359 [0,2,0,0,0,0|1,0,0]=3 5298 B13R0.147 C=CCCCCCCOCC(=O)NC 7a_200011216477_100000183359 [0,2,0,0,0,0|1,0,0]=3 5299 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [0,2,0,0,0,0|0,0,0]=2 5300 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [0,2,0,0,0,0|0,0,0]=2 5301 B13R0.147 C=CCCCCCCOCC(C)OC 34a_100000690652_100011215473 [0,2,0,0,0,0|1,0,1]=4 5302 B13R0.147 C=CCCCCCCOCC(O)C=C 34a_200011216477_100000730141 [0,2,0,0,0,0|1,0,1]=4 5303 B13R0.147 C=CCCCCCCOCC(O)C=C 7a_200011216477_100000730141 [0,2,0,0,0,0|1,0,1]=4 5304 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [0,2,0,0,0,0|1,0,1]=4 5305 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [0,2,0,0,0,0|1,0,1]=4 5306 B13R0.147 C=CCCCCCCOCC(O)CO 34a_200011216477_100011219619 [0,2,0,0,0,0|0,0,2]=4 5307 B13R0.147 C=CCCCCCCOCC(O)CO 7a_200011216477_100011219619 [0,2,0,0,0,0|0,0,2]=4 5308 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 34a_200011216477_100000059175 [0,2,0,0,0,0|1,0,1]=4 5309 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 7a_200011216477_100000059175 [0,2,0,0,0,0|1,0,1]=4 5310 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 34a_200011216477_100015614560 [0,2,0,0,0,0|1,0,1]=4 5311 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 7a_200011216477_100015614560 [0,2,0,0,0,0|1,0,1]=4 5312 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 34a_200011216477_100009815848 [0,2,0,0,0,0|0,0,2]=4 5313 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 7a_200011216477_100009815848 [0,2,0,0,0,0|0,0,2]=4 5314 B13R0.147 C=CCCCCCCSCC(=C)C#N 62a_100011215473_100000694840 [0,2,0,0,0,0|2,0,0]=4 5315 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100000747405_100011215473 [0,2,0,0,0,0|1,0,0]=3 5316 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100011215473_100000747405 [0,2,0,0,0,0|1,0,0]=3 5317 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100000183359_100011215473 [0,2,0,0,0,0|1,0,0]=3 5318 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100011215473_100000183359 [0,2,0,0,0,0|1,0,0]=3 5319 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100000747449_100011215473 [0,2,0,0,0,0|0,0,0]=2 5320 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100011215473_100000747449 [0,2,0,0,0,0|0,0,0]=2 5321 B13R0.147 C=CCCCCCCSCC(O)C=C 62a_100000730141_100011215473 [0,2,0,0,0,0|1,0,1]=4 5322 B13R0.147 C=CCCCCCCSCC(O)C=C 62a_100011215473_100000730141 [0,2,0,0,0,0|1,0,1]=4 5323 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [0,2,0,0,0,0|1,0,1]=4 5324 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [0,2,0,0,0,0|1,0,1]=4 5325 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011215473_100011219619 [0,2,0,0,0,0|0,0,2]=4 5326 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011219619_100011215473 [0,2,0,0,0,0|0,0,2]=4 5327 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215473 [0,2,0,0,0,0|1,0,1]=4 5328 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100011215473_100000059175 [0,2,0,0,0,0|1,0,1]=4 5329 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100011215473_100015614560 [0,2,0,0,0,0|1,0,1]=4 5330 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100015614560_100011215473 [0,2,0,0,0,0|1,0,1]=4 5331 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215473 [0,2,0,0,0,0|0,0,2]=4 5332 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100011215473_100009815848 [0,2,0,0,0,0|0,0,2]=4 5333 B13R0.147 C=CCCCCCNCCC(=O)NC 2230a_100000738227_100000700193 [0,2,0,0,0,0|1,0,0]=3 5334 B13R0.147 C=CCCCCCNCCC(=O)NC 34a_100000738227_100000700193 [0,2,0,0,0,0|1,0,0]=3 5335 B13R0.147 C=CCCCCCNCCC(C)CO 2230a_106354213184_100000700193 [0,2,0,0,0,0|1,0,1]=4 5336 B13R0.147 C=CCCCCCNCCC(C)CO 34a_106354213184_100000700193 [0,2,0,0,0,0|1,0,1]=4 5337 B13R0.147 C=CCCCCCOCCC(=NO)N 34a_100000749954_100000700193 [0,2,0,0,0,0|1,0,0]=3 5338 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100000754576_100000700193 [0,2,0,0,0,0|1,0,0]=3 5339 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100011216702_100012179268 [0,2,0,0,0,0|1,0,0]=3 5340 B13R0.147 C=CCCCCCOCCC(=O)NC 7a_100011216702_100000737683 [0,2,0,0,0,0|1,0,0]=3 5341 B13R0.147 C=CCCCCCOCCC(=O)OC 34a_100011216702_100000742370 [0,2,0,0,0,0|0,0,0]=2 5342 B13R0.147 C=CCCCCCOCCC(=O)OC 7a_100011216702_100000204255 [0,2,0,0,0,0|0,0,0]=2 5343 B13R0.147 C=CCCCCCOCCC(C)OC 7a_100000764861_100000700193 [0,2,0,0,0,0|1,0,1]=4 5344 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000700193_100000737683 [0,2,0,0,0,0|1,0,0]=3 5345 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000737683_100000700193 [0,2,0,0,0,0|1,0,0]=3 5346 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000204255_100000700193 [0,2,0,0,0,0|0,0,0]=2 5347 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000700193_100000204255 [0,2,0,0,0,0|0,0,0]=2 5348 B13R0.147 C=CCCCCCSCOC(=O)OC 62a_100000700193_100000139417 [0,2,0,0,0,0|1,0,0]=3 5349 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 2230a_100000703577_100000742655 [0,2,0,0,0,0|0,0,2]=4 5350 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 34a_100000703577_100000742655 [0,2,0,0,0,0|0,0,2]=4 5351 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000703577_100000741757 [0,2,0,0,0,0|1,0,0]=3 5352 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000740002_100011215482 [0,2,0,0,0,0|1,0,0]=3 5353 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000703577_100000741757 [0,2,0,0,0,0|1,0,0]=3 5354 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000740002_100011215482 [0,2,0,0,0,0|1,0,0]=3 5355 B13R0.147 C=CCCCCNCCCC(=O)OC 2230a_100000703577_100011218270 [0,2,0,0,0,0|0,0,0]=2 5356 B13R0.147 C=CCCCCNCCCC(=O)OC 34a_100000703577_100000742333 [0,2,0,0,0,0|0,0,0]=2 5357 B13R0.147 C=CCCCCNCCNC(=O)C=C 2230a_114873766552_100011215482 [0,2,0,0,0,0|2,0,0]=4 5358 B13R0.147 C=CCCCCNCCNC(=O)CC 34a_100132302217_100011215482 [0,2,0,0,0,0|2,0,0]=4 5359 B13R0.147 C=CCCCCNCCNC(=O)NC 34a_100015205895_100011215482 [0,2,0,0,0,0|2,0,0]=4 5360 B13R0.147 C=CCCCCNCCOC(=O)C=C 2230a_100000703577_100009813456 [0,2,0,0,0,0|2,0,0]=4 5361 B13R0.147 C=CCCCCNCCOC(=O)C=C 34a_100000703577_100009813456 [0,2,0,0,0,0|2,0,0]=4 5362 B13R0.147 C=CCCCCNCCOC(=O)NC 34a_100000703577_200011997002 [0,2,0,0,0,0|2,0,0]=4 5363 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 34a_100000766645_100000742655 [0,2,0,0,0,0|0,0,2]=4 5364 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 7a_100000766645_100000742655 [0,2,0,0,0,0|0,0,2]=4 5365 B13R0.147 C=CCCCCOCCCC(=O)NC 34a_100000766645_100000741757 [0,2,0,0,0,0|1,0,0]=3 5366 B13R0.147 C=CCCCCOCCCC(=O)NC 7a_100000766645_100000741757 [0,2,0,0,0,0|1,0,0]=3 5367 B13R0.147 C=CCCCCOCCCC(=O)NN 34a_100000211488_100011215482 [0,2,0,0,0,0|1,0,0]=3 5368 B13R0.147 C=CCCCCOCCCC(=O)OC 34a_100000766645_100000742333 [0,2,0,0,0,0|0,0,0]=2 5369 B13R0.147 C=CCCCCOCCCC(=O)OC 7a_100000766645_100011218270 [0,2,0,0,0,0|0,0,0]=2 5370 B13R0.147 C=CCCCCOCCNC(=O)C=C 34a_100011304386_100011215482 [0,2,0,0,0,0|2,0,0]=4 5371 B13R0.147 C=CCCCCOCCNC(=O)CC 34a_200000158885_100011215482 [0,2,0,0,0,0|2,0,0]=4 5372 B13R0.147 C=CCCCCOCCNC(=O)CC 7a_200000158885_100011215482 [0,2,0,0,0,0|2,0,0]=4 5373 B13R0.147 C=CCCCCOCCNC(=O)OC 34a_100000757965_100011215482 [0,2,0,0,0,0|1,0,0]=3 5374 B13R0.147 C=CCCCCOCCOC(=O)C=C 34a_100000766645_100009813456 [0,2,0,0,0,0|2,0,0]=4 5375 B13R0.147 C=CCCCCOCCOC(=O)C=C 7a_100000766645_100009813456 [0,2,0,0,0,0|2,0,0]=4 5376 B13R0.147 C=CCCCCOCCOC(=O)CC 7a_200000031056_100011215482 [0,2,0,0,0,0|2,0,0]=4 5377 B13R0.147 C=CCCCCOCCOC(=O)NC 34a_100000766645_200011997002 [0,2,0,0,0,0|2,0,0]=4 5378 B13R0.147 C=CCCCCOCCOC(=O)NC 7a_100000766645_200011997002 [0,2,0,0,0,0|2,0,0]=4 5379 B13R0.147 C=CCCCCOCCOC(=O)OC 34a_100010262106_100011215482 [0,2,0,0,0,0|1,0,0]=3 5380 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100000742655_100011215482 [0,2,0,0,0,0|0,0,2]=4 5381 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100011215482_100000742655 [0,2,0,0,0,0|0,0,2]=4 5382 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100000741757_100011215482 [0,2,0,0,0,0|1,0,0]=3 5383 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100011215482_100000741757 [0,2,0,0,0,0|1,0,0]=3 5384 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011215482_100011218270 [0,2,0,0,0,0|0,0,0]=2 5385 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011218270_100011215482 [0,2,0,0,0,0|0,0,0]=2 5386 B13R0.147 C=CCCCCSCCOC(=O)C=C 62a_100009813456_100011215482 [0,2,0,0,0,0|2,0,0]=4 5387 B13R0.147 C=CCCCCSCCOC(=O)C=C 62a_100011215482_100009813456 [0,2,0,0,0,0|2,0,0]=4 5388 B13R0.147 C=CCCCCSCCOC(=O)NC 62a_100011215482_200011997002 [0,2,0,0,0,0|2,0,0]=4 5389 B13R0.147 C=CCCCCSCCOC(=O)NC 62a_200011997002_100011215482 [0,2,0,0,0,0|2,0,0]=4 5390 B13R0.147 C=CCCCNCCCCC(=O)OC 2230a_100000700776_100000204269 [0,2,0,0,0,0|0,0,0]=2 5391 B13R0.147 C=CCCCNCCCCC(=O)OC 34a_100000700776_100000204269 [0,2,0,0,0,0|0,0,0]=2 5392 B13R0.147 C=CCCCNCCOCC(=O)OC 2230a_100000700776_100000090808 [0,2,0,0,0,0|1,0,0]=3 5393 B13R0.147 C=CCCCNCCOCC(=O)OC 34a_100000700776_100000090808 [0,2,0,0,0,0|1,0,0]=3 5394 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000059025_100000757094 [0,2,0,0,0,0|0,0,0]=2 5395 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000758997_100000204269 [0,2,0,0,0,0|0,0,0]=2 5396 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000059025_100000757094 [0,2,0,0,0,0|0,0,0]=2 5397 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000758997_100000204269 [0,2,0,0,0,0|0,0,0]=2 5398 B13R0.147 C=CCCCOCCOCC(=O)OC 34a_100000758997_100000090808 [0,2,0,0,0,0|1,0,0]=3 5399 B13R0.147 C=CCCCOCCOCC(=O)OC 7a_100000758997_100000090808 [0,2,0,0,0,0|1,0,0]=3 5400 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100000204269_100000757094 [0,2,0,0,0,0|0,0,0]=2 5401 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100011713584_100000204269 [0,2,0,0,0,0|0,0,0]=2 5402 B13R0.147 C=CCCCSCCOCC(=O)OC 62a_100000090808_100000757094 [0,2,0,0,0,0|1,0,0]=3 5403 B13R0.147 C=CCCCSCCOCC(=O)OC 62a_100011713584_100000090808 [0,2,0,0,0,0|1,0,0]=3 5404 B13R0.147 C=CCCNCCCCCC(=O)OC 2230a_100015191253_100009816466 [0,2,0,0,0,0|0,0,0]=2 5405 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100000074720_100000754431 [0,2,0,0,0,0|0,0,0]=2 5406 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100011205117_100009816466 [0,2,0,0,0,0|0,0,0]=2 5407 B13R0.147 C=CCCOCCCCCC(=O)OC 7a_100000074720_100000754431 [0,2,0,0,0,0|0,0,0]=2 5408 B13R0.147 C=CCCOCCCCNC(=O)C=C 34a_100014118770_100000754431 [0,2,0,0,0,0|2,0,0]=4 5409 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100000754431_100009816466 [0,2,0,0,0,0|0,0,0]=2 5410 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100009816466_100000754431 [0,2,0,0,0,0|0,0,0]=2 5411 B13R0.147 C=CCNCCCCCCC(=O)OC 2230a_100020586998_100009815986 [0,2,0,0,0,0|0,0,0]=2 5412 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_100009863599_100015514636 [0,2,0,0,0,0|0,0,0]=2 5413 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_200000210373_100009815986 [0,2,0,0,0,0|0,0,0]=2 5414 B13R0.147 C=CCOCCCCCCC(=O)OC 7a_100009863599_100015514636 [0,2,0,0,0,0|0,0,0]=2 5415 B13R0.147 C=CCOCCCCCOC(=O)C=C 7a_200011023508_100015514636 [0,2,0,0,0,0|2,0,0]=4 5416 B13R0.147 C=CCOCCOCCCC(=O)NC 34a_100000037705_100000741757 [0,2,0,0,0,0|2,0,0]=4 5417 B13R0.147 C=CCOCCOCCCC(=O)NC 7a_100000037705_100000741757 [0,2,0,0,0,0|2,0,0]=4 5418 B13R0.147 C=CCOCCOCCCC(=O)OC 34a_100000037705_100000742333 [0,2,0,0,0,0|1,0,0]=3 5419 B13R0.147 C=CCOCCOCCCC(=O)OC 7a_100000037705_100011218270 [0,2,0,0,0,0|1,0,0]=3 5420 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100000210623_100009815986 [0,2,0,0,0,0|0,0,0]=2 5421 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100009815986_100000210623 [0,2,0,0,0,0|0,0,0]=2 5422 B13R0.147 C=COCCCCOCCC(=O)NC 34a_100000031558_100012179268 [0,2,0,0,0,0|2,0,0]=4 5423 B13R0.147 C=COCCCCOCCC(=O)NC 7a_100000031558_100000737683 [0,2,0,0,0,0|2,0,0]=4 5424 B13R0.147 C=COCCCCOCCC(=O)OC 34a_100000031558_100000742370 [0,2,0,0,0,0|1,0,0]=3 5425 B13R0.147 C=COCCCCOCCC(=O)OC 7a_100000031558_100000204255 [0,2,0,0,0,0|1,0,0]=3 5426 B13R0.147 C=COCCCNCCCC(=O)NC 2230a_100000210767_100000741757 [0,2,0,0,0,0|2,0,0]=4 5427 B13R0.147 C=COCCCNCCCC(=O)NC 34a_100000210767_100000741757 [0,2,0,0,0,0|2,0,0]=4 5428 B13R0.147 C=COCCCNCCCC(=O)OC 2230a_100000210767_100011218270 [0,2,0,0,0,0|1,0,0]=3 5429 B13R0.147 C=COCCCNCCCC(=O)OC 34a_100000210767_100000742333 [0,2,0,0,0,0|1,0,0]=3 5430 B13R0.147 C=COCCOCCCCC(=O)OC 34a_100000033082_100000204269 [0,2,0,0,0,0|1,0,0]=3 5431 B13R0.147 C=COCCOCCCCC(=O)OC 34a_100000059025_100000039644 [0,2,0,0,0,0|1,0,0]=3 5432 B13R0.147 C=COCCOCCCCC(=O)OC 7a_100000059025_100000039644 [0,2,0,0,0,0|1,0,0]=3 5433 B13R0.147 C=COCCOCCOCC(=O)OC 34a_100000033082_100000090808 [0,2,0,0,0,0|2,0,0]=4 5434 B13R0.147 C=COCCOCCOCC(=O)OC 34a_100000039918_100000747449 [0,2,0,0,0,0|2,0,0]=4 5435 B13R0.147 C=COCCOCCOCC(=O)OC 7a_100000039918_100000747449 [0,2,0,0,0,0|2,0,0]=4 5436 B13R0.147 C=COCCSCCCCC(=O)OC 62a_100000039644_100000204269 [0,2,0,0,0,0|1,0,0]=3 5437 B13R0.147 C=COCCSCCCCC(=O)OC 62a_100000204269_100000039644 [0,2,0,0,0,0|1,0,0]=3 5438 B13R0.147 C=COCCSCCOCC(=O)OC 62a_100000039644_100000090808 [0,2,0,0,0,0|2,0,0]=4 5439 B13R0.147 C=COCCSCCOCC(=O)OC 62a_100000090808_100000039644 [0,2,0,0,0,0|2,0,0]=4 5440 B13R0.147 CC=CCCCOCCCC(=O)NC 34a_100020645299_100000741757 [0,2,0,0,0,0|2,0,0]=4 5441 B13R0.147 CC=CCCCOCCCC(=O)OC 34a_100020645299_100000742333 [0,2,0,0,0,0|1,0,0]=3 5442 B13R0.147 CC=CCOCCCCCC(=O)OC 34a_100000074720_100000070051 [0,2,0,0,0,0|1,0,0]=3 5443 B13R0.147 CC=CCOCCCCCC(=O)OC 7a_100000074720_100000070051 [0,2,0,0,0,0|1,0,0]=3 5444 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100000070051_100009816466 [0,2,0,0,0,0|1,0,0]=3 5445 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100009816466_100000070051 [0,2,0,0,0,0|1,0,0]=3 5446 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|0,0,2]=4 5447 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,2,0,0,0,0|0,0,2]=4 5448 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,2,0,0,0,0|0,0,2]=4 5449 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,2,0,0,0,0|0,0,2]=4 5450 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,2,0,0,0,0|0,0,2]=4 5451 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,2,0,0,0,0|0,0,2]=4 5452 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,2,0,0,0,0|0,0,2]=4 5453 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,2,0,0,0,0|0,0,2]=4 5454 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,2,0,0,0,0|0,0,2]=4 5455 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,2,0,0,0,0|0,0,2]=4 5456 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,2,0,0,0,0|0,0,2]=4 5457 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,2,0,0,0,0|0,0,2]=4 5458 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,2,0,0,0,0|0,0,2]=4 5459 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,2,0,0,0,0|0,0,2]=4 5460 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,2,0,0,0,0|0,0,2]=4 5461 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,2,0,0,0,0|0,0,2]=4 5462 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,2,0,0,0,0|0,0,2]=4 5463 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,2,0,0,0,0|0,0,2]=4 5464 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,2,0,0,0,0|0,0,2]=4 5465 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,2,0,0,0,0|0,0,2]=4 5466 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,2,0,0,0,0|0,0,2]=4 5467 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,2,0,0,0,0|0,0,2]=4 5468 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,2,0,0,0,0|0,0,2]=4 5469 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,2,0,0,0,0|0,0,2]=4 5470 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,2,0,0,0,0|0,0,2]=4 5471 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,2,0,0,0,0|0,0,2]=4 5472 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,2,0,0,0,0|0,0,2]=4 5473 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,2,0,0,0,0|0,0,2]=4 5474 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,2,0,0,0,0|0,0,2]=4 5475 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,2,0,0,0,0|0,0,2]=4 5476 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,2,0,0,0,0|0,0,2]=4 5477 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,2,0,0,0,0|0,0,2]=4 5478 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,2,0,0,0,0|0,0,2]=4 5479 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,2,0,0,0,0|0,0,2]=4 5480 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,2,0,0,0,0|0,0,2]=4 5481 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,2,0,0,0,0|0,0,2]=4 5482 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,2,0,0,0,0|0,0,2]=4 5483 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,2,0,0,0,0|0,0,2]=4 5484 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,2,0,0,0,0|0,0,2]=4 5485 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,2,0,0,0,0|0,0,2]=4 5486 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,2,0,0,0,0|0,0,2]=4 5487 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,2,0,0,0,0|0,0,2]=4 5488 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,2,0,0,0,0|0,0,2]=4 5489 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,2,0,0,0,0|0,0,2]=4 5490 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,2,0,0,0,0|0,0,2]=4 5491 B13R0.147 CNC(=O)CCCNCCCCC=O 2230a_100000740002_100000139335 [0,2,0,0,0,0|2,0,0]=4 5492 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000139335_100000741757 [0,2,0,0,0,0|2,0,0]=4 5493 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000741757_100000139335 [0,2,0,0,0,0|2,0,0]=4 5494 B13R0.147 CNC(=O)CCNCCCCCC=O 2230a_100000738227_100000139337 [0,2,0,0,0,0|2,0,0]=4 5495 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000139337_100000737683 [0,2,0,0,0,0|2,0,0]=4 5496 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000737683_100000139337 [0,2,0,0,0,0|2,0,0]=4 5497 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,2,0,0,0,0|0,0,2]=4 5498 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,2,0,0,0,0|0,0,2]=4 5499 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,2,0,0,0,0|0,0,2]=4 5500 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,2,0,0,0,0|1,0,1]=4 5501 B13R0.147 CNCCCOCCCCC(=O)OC 34a_100000213112_100000204269 [0,2,0,0,0,0|1,0,1]=4 5502 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|0,0,2]=4 5503 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|0,0,2]=4 5504 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,2,0,0,0,0|0,0,2]=4 5505 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,2,0,0,0,0|0,0,2]=4 5506 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,2,0,0,0,0|0,0,2]=4 5507 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,2,0,0,0,0|0,0,2]=4 5508 B13R0.147 COC(=O)CCCCCCCOCF 34a_100011022521_100015361967 [0,2,0,0,0,0|1,0,1]=4 5509 B13R0.147 COC(=O)CCCCCCCOCF 7a_100011022521_100015361967 [0,2,0,0,0,0|1,0,1]=4 5510 B13R0.147 COC(=O)CCCCCCCSCF 62a_100010004213_100015361967 [0,2,0,0,0,0|1,0,1]=4 5511 B13R0.147 COC(=O)CCCCCCCSCF 62a_100015361967_100010004213 [0,2,0,0,0,0|1,0,1]=4 5512 B13R0.147 COC(=O)CCCCCCNCCF 34a_100000724931_100009815986 [0,2,0,0,0,0|1,0,1]=4 5513 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,2,0,0,0,0|1,0,1]=4 5514 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,2,0,0,0,0|1,0,1]=4 5515 B13R0.147 COC(=O)CCCCCCOCC#N 7a_100009863599_100011215382 [0,2,0,0,0,0|1,0,1]=4 5516 B13R0.147 COC(=O)CCCCCCOCC=O 34a_100009863599_200009817547 [0,2,0,0,0,0|1,0,0]=3 5517 B13R0.147 COC(=O)CCCCCCOCC=O 7a_100009863599_200015260668 [0,2,0,0,0,0|1,0,0]=3 5518 B13R0.147 COC(=O)CCCCCCOCCBr 34a_100000211926_100009815986 [0,2,0,0,0,0|1,0,1]=4 5519 B13R0.147 COC(=O)CCCCCCOCCF 34a_100009863599_100011217306 [0,2,0,0,0,0|1,0,1]=4 5520 B13R0.147 COC(=O)CCCCCCOCCF 7a_100009863599_100011217306 [0,2,0,0,0,0|1,0,1]=4 5521 B13R0.147 COC(=O)CCCCCCOCCN 34a_100000210304_100009815986 [0,2,0,0,0,0|1,0,1]=4 5522 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,2,0,0,0,0|1,0,1]=4 5523 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,2,0,0,0,0|1,0,1]=4 5524 B13R0.147 COC(=O)CCCCCCOCSC 34a_100009863599_100011218213 [0,2,0,0,0,0|1,0,1]=4 5525 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100009815986_100011215382 [0,2,0,0,0,0|1,0,1]=4 5526 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100011215382_100009815986 [0,2,0,0,0,0|1,0,1]=4 5527 B13R0.147 COC(=O)CCCCCCSCC=O 62a_100009815986_200015260668 [0,2,0,0,0,0|1,0,0]=3 5528 B13R0.147 COC(=O)CCCCCCSCC=O 62a_200015260668_100009815986 [0,2,0,0,0,0|1,0,0]=3 5529 B13R0.147 COC(=O)CCCCCCSCCF 62a_100009815986_100011217306 [0,2,0,0,0,0|1,0,1]=4 5530 B13R0.147 COC(=O)CCCCCCSCCF 62a_100011217306_100009815986 [0,2,0,0,0,0|1,0,1]=4 5531 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,2,0,0,0,0|1,0,1]=4 5532 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,2,0,0,0,0|1,0,1]=4 5533 B13R0.147 COC(=O)CCCCCCSCSC 62a_100009815986_100011218213 [0,2,0,0,0,0|1,0,1]=4 5534 B13R0.147 COC(=O)CCCCCCSCSC 62a_100011218213_100009815986 [0,2,0,0,0,0|1,0,1]=4 5535 B13R0.147 COC(=O)CCCCCNCCCF 2230a_100015189416_100009816466 [0,2,0,0,0,0|1,0,1]=4 5536 B13R0.147 COC(=O)CCCCCNCCCF 34a_100015189416_100009816466 [0,2,0,0,0,0|1,0,1]=4 5537 B13R0.147 COC(=O)CCCCCNCCSC 2230a_100020590264_100009816466 [0,2,0,0,0,0|1,0,1]=4 5538 B13R0.147 COC(=O)CCCCCOCCC#N 7a_100000074720_100000184422 [0,2,0,0,0,0|1,0,1]=4 5539 B13R0.147 COC(=O)CCCCCOCCCBr 34a_100011217188_100009816466 [0,2,0,0,0,0|1,0,1]=4 5540 B13R0.147 COC(=O)CCCCCOCCCCl 34a_100000230001_100009816466 [0,2,0,0,0,0|1,0,1]=4 5541 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000074720_100011934791 [0,2,0,0,0,0|1,0,1]=4 5542 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000759539_100009816466 [0,2,0,0,0,0|1,0,1]=4 5543 B13R0.147 COC(=O)CCCCCOCCCF 7a_100000074720_100011934791 [0,2,0,0,0,0|1,0,1]=4 5544 B13R0.147 COC(=O)CCCCCOCCCN 34a_100000182051_100009816466 [0,2,0,0,0,0|1,0,1]=4 5545 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,2,0,0,0,0|1,0,1]=4 5546 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,2,0,0,0,0|1,0,1]=4 5547 B13R0.147 COC(=O)CCCCCOCCON 34a_100000700252_100009816466 [0,2,0,0,0,0|2,0,0]=4 5548 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,2,0,0,0,0|1,0,1]=4 5549 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,2,0,0,0,0|1,0,1]=4 5550 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,2,0,0,0,0|1,0,1]=4 5551 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,2,0,0,0,0|1,0,1]=4 5552 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100009816466_100011215226 [0,2,0,0,0,0|1,0,1]=4 5553 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100011215226_100009816466 [0,2,0,0,0,0|1,0,1]=4 5554 B13R0.147 COC(=O)CCCCCSCCCF 62a_100009816466_100011934791 [0,2,0,0,0,0|1,0,1]=4 5555 B13R0.147 COC(=O)CCCCCSCCCF 62a_100011934791_100009816466 [0,2,0,0,0,0|1,0,1]=4 5556 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,2,0,0,0,0|1,0,1]=4 5557 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,2,0,0,0,0|1,0,1]=4 5558 B13R0.147 COC(=O)CCCCCSCCSC 62a_100000212216_100009816466 [0,2,0,0,0,0|1,0,1]=4 5559 B13R0.147 COC(=O)CCCCCSCCSC 62a_100009816466_100000751147 [0,2,0,0,0,0|1,0,1]=4 5560 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,2,0,0,0,0|1,0,1]=4 5561 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,2,0,0,0,0|1,0,1]=4 5562 B13R0.147 COC(=O)CCCCNCCCSC 2230a_100000749238_100000204269 [0,2,0,0,0,0|1,0,1]=4 5563 B13R0.147 COC(=O)CCCCOCCCC#N 7a_100000059025_100000687738 [0,2,0,0,0,0|1,0,1]=4 5564 B13R0.147 COC(=O)CCCCOCCCC=O 7a_100000059025_200011292268 [0,2,0,0,0,0|1,0,0]=3 5565 B13R0.147 COC(=O)CCCCOCCCCBr 34a_100011216708_100000204269 [0,2,0,0,0,0|1,0,1]=4 5566 B13R0.147 COC(=O)CCCCOCCCCCl 34a_100000210776_100000204269 [0,2,0,0,0,0|1,0,1]=4 5567 B13R0.147 COC(=O)CCCCOCCCCCl 7a_100000210776_100000204269 [0,2,0,0,0,0|1,0,1]=4 5568 B13R0.147 COC(=O)CCCCOCCCCF 34a_100000059025_100000729493 [0,2,0,0,0,0|1,0,1]=4 5569 B13R0.147 COC(=O)CCCCOCCCCF 34a_100011995726_100000204269 [0,2,0,0,0,0|1,0,1]=4 5570 B13R0.147 COC(=O)CCCCOCCCCF 7a_100000059025_100000729493 [0,2,0,0,0,0|1,0,1]=4 5571 B13R0.147 COC(=O)CCCCOCCCCF 7a_100011995726_100000204269 [0,2,0,0,0,0|1,0,1]=4 5572 B13R0.147 COC(=O)CCCCOCCCCI 34a_200012148704_100000204269 [0,2,0,0,0,0|1,0,1]=4 5573 B13R0.147 COC(=O)CCCCOCCCCN 34a_100000750430_100000204269 [0,2,0,0,0,0|1,0,1]=4 5574 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,2,0,0,0,0|1,0,1]=4 5575 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,2,0,0,0,0|1,0,1]=4 5576 B13R0.147 COC(=O)CCCCOCCCSC 34a_100000690336_100000204269 [0,2,0,0,0,0|1,0,1]=4 5577 B13R0.147 COC(=O)CCCCOCCCSC 7a_100000690336_100000204269 [0,2,0,0,0,0|1,0,1]=4 5578 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000204269_100000687738 [0,2,0,0,0,0|1,0,1]=4 5579 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000687738_100000204269 [0,2,0,0,0,0|1,0,1]=4 5580 B13R0.147 COC(=O)CCCCSCCCC=O 62a_100000204269_200011292268 [0,2,0,0,0,0|1,0,0]=3 5581 B13R0.147 COC(=O)CCCCSCCCC=O 62a_200011292268_100000204269 [0,2,0,0,0,0|1,0,0]=3 5582 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000204269_100000729493 [0,2,0,0,0,0|1,0,1]=4 5583 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000729493_100000204269 [0,2,0,0,0,0|1,0,1]=4 5584 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,2,0,0,0,0|1,0,1]=4 5585 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,2,0,0,0,0|1,0,1]=4 5586 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,2,0,0,0,0|1,0,1]=4 5587 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,2,0,0,0,0|1,0,1]=4 5588 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,2,0,0,0,0|1,0,1]=4 5589 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,2,0,0,0,0|1,0,1]=4 5590 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,2,0,0,0,0|1,0,1]=4 5591 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,2,0,0,0,0|1,0,1]=4 5592 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,2,0,0,0,0|1,0,1]=4 5593 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,2,0,0,0,0|1,0,1]=4 5594 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,2,0,0,0,0|1,0,1]=4 5595 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,2,0,0,0,0|1,0,1]=4 5596 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,2,0,0,0,0|1,0,1]=4 5597 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011218270_100000211819 [0,2,0,0,0,0|1,0,1]=4 5598 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011219923_100011218270 [0,2,0,0,0,0|1,0,1]=4 5599 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100000139335_100011218270 [0,2,0,0,0,0|1,0,0]=3 5600 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100011218270_100000139335 [0,2,0,0,0,0|1,0,0]=3 5601 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,2,0,0,0,0|1,0,1]=4 5602 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,2,0,0,0,0|1,0,1]=4 5603 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,2,0,0,0,0|1,0,1]=4 5604 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,2,0,0,0,0|1,0,1]=4 5605 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,2,0,0,0,0|1,0,1]=4 5606 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,2,0,0,0,0|1,0,1]=4 5607 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,2,0,0,0,0|1,0,1]=4 5608 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,2,0,0,0,0|1,0,1]=4 5609 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,2,0,0,0,0|1,0,1]=4 5610 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,2,0,0,0,0|1,0,1]=4 5611 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,2,0,0,0,0|1,0,1]=4 5612 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,2,0,0,0,0|1,0,1]=4 5613 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,2,0,0,0,0|1,0,1]=4 5614 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100000204255_100009813376 [0,2,0,0,0,0|1,0,1]=4 5615 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100009813376_100000204255 [0,2,0,0,0,0|1,0,1]=4 5616 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000139337_100000204255 [0,2,0,0,0,0|1,0,0]=3 5617 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000204255_100000139337 [0,2,0,0,0,0|1,0,0]=3 5618 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,2,0,0,0,0|1,0,1]=4 5619 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,2,0,0,0,0|1,0,1]=4 5620 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,2,0,0,0,0|1,0,1]=4 5621 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,2,0,0,0,0|1,0,1]=4 5622 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,2,0,0,0,0|1,0,1]=4 5623 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,2,0,0,0,0|1,0,1]=4 5624 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,2,0,0,0,0|1,0,1]=4 5625 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,2,0,0,0,0|1,0,1]=4 5626 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,2,0,0,0,0|1,0,1]=4 5627 B13R0.147 COC(=O)COCCSCCCC=O 62a_100000090808_200011292268 [0,2,0,0,0,0|2,0,0]=4 5628 B13R0.147 COC(=O)COCCSCCCC=O 62a_200011292268_100000090808 [0,2,0,0,0,0|2,0,0]=4 5629 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100000747449_100009813337 [0,2,0,0,0,0|1,0,1]=4 5630 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100009813337_100000747449 [0,2,0,0,0,0|1,0,1]=4 5631 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,2,0,0,0,0|1,0,1]=4 5632 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,2,0,0,0,0|1,0,1]=4 5633 B13R0.147 COC(=O)OCSCCCCCC=O 62a_100000139337_100000139417 [0,2,0,0,0,0|2,0,0]=4 5634 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|0,0,2]=4 5635 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|0,0,2]=4 5636 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|0,0,2]=4 5637 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,2,0,0,0,0|1,0,1]=4 5638 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,2,0,0,0,0|1,0,1]=4 5639 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,2,0,0,0,0|1,0,1]=4 5640 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,2,0,0,0,0|1,0,1]=4 5641 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,2,0,0,0,0|1,0,1]=4 5642 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,2,0,0,0,0|1,0,1]=4 5643 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,2,0,0,0,0|1,0,1]=4 5644 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,2,0,0,0,0|1,0,1]=4 5645 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,2,0,0,0,0|1,0,1]=4 5646 B13R0.147 COCCCNCCCCC(=O)OC 34a_100150723488_100000204269 [0,2,0,0,0,0|1,0,1]=4 5647 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,2,0,0,0,0|1,0,1]=4 5648 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,2,0,0,0,0|1,0,1]=4 5649 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,2,0,0,0,0|1,0,1]=4 5650 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000204269_100000709357 [0,2,0,0,0,0|1,0,1]=4 5651 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000709357_100000204269 [0,2,0,0,0,0|1,0,1]=4 5652 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,2,0,0,0,0|1,0,1]=4 5653 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,2,0,0,0,0|1,0,1]=4 5654 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,2,0,0,0,0|1,0,1]=4 5655 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,2,0,0,0,0|1,0,1]=4 5656 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,2,0,0,0,0|1,0,1]=4 5657 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,2,0,0,0,0|1,0,1]=4 5658 B13R0.147 COCSCCCCCCC(=O)OC 62a_100000766300_100009815986 [0,2,0,0,0,0|1,0,1]=4 5659 B13R0.147 COCSCCCCCCC(=O)OC 62a_100009815986_100000766300 [0,2,0,0,0,0|1,0,1]=4 5660 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|0,0,2]=4 5661 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,2,0,0,0,0|1,0,1]=4 5662 B13R0.150 C#CCCCCCCCC(=O)C(O)O 1458a_100000233687_100153394163 [0,2,0,0,0,0|0,0,2]=4 5663 B13R0.150 C#CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100153394163 [0,2,0,0,0,0|0,0,2]=4 5664 B13R0.150 C#CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100153394163 [0,2,0,0,0,0|0,0,2]=4 5665 B13R0.150 C#CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012276617 [0,2,0,0,0,0|0,0,2]=4 5666 B13R0.150 C#CCCCCCNCC(C)C(=O)O 269956a_100000749485_100012094781 [0,2,0,0,0,0|0,0,2]=4 5667 B13R0.150 C#CCCCCCNCC(F)C(=O)O 269956a_100000084737_100012094781 [0,2,0,0,0,0|0,0,2]=4 5668 B13R0.150 C=CCCCCCCCC(=O)C(=C)C 1458a_100000185857_100012355270 [0,2,0,0,0,0|1,0,0]=3 5669 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100000210198_100012355270 [0,2,0,0,0,0|1,0,0]=3 5670 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100011216160_100000210206 [0,2,0,0,0,0|1,0,0]=3 5671 B13R0.150 C=CCCCCCCCC(=O)C(C)F 1458a_100000062450_100012355270 [0,2,0,0,0,0|1,0,0]=3 5672 B13R0.150 C=CCCCCCCCC(=O)C(O)O 1458a_100000233687_100012355270 [0,2,0,0,0,0|0,0,0]=2 5673 B13R0.150 C=CCCCCCCCC(=O)N(C)C 11a_100102631434_100011216160 [0,2,0,0,0,0|1,0,0]=3 5674 B13R0.150 C=CCCCCCCCC(=O)N(C)C 1626a_100102631434_100011216160 [0,2,0,0,0,0|1,0,0]=3 5675 B13R0.150 C=CCCCCCCCC(=O)N(C)C 240690a_100102631434_100011216160 [0,2,0,0,0,0|1,0,0]=3 5676 B13R0.150 C=CCCCCCCCC(=O)N(C)C 527a_100102631434_100011216160 [0,2,0,0,0,0|1,0,0]=3 5677 B13R0.150 C=CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012355270 [0,2,0,0,0,0|0,0,0]=2 5678 B13R0.150 C=CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012355270 [0,2,0,0,0,0|0,0,0]=2 5679 B13R0.150 C=CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215473 [0,2,0,0,0,0|0,0,0]=2 5680 B13R0.150 C=CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215473 [0,2,0,0,0,0|1,0,0]=3 5681 B13R0.150 C=CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215473 [0,2,0,0,0,0|1,0,0]=3 5682 B13R0.150 C=CCCCCCCOC(C)C(=O)C 34a_100000212229_100011215473 [0,2,0,0,0,0|1,0,0]=3 5683 B13R0.150 C=CCCCCCCOC(C)C(=O)C 7a_200011216477_100000179758 [0,2,0,0,0,0|1,0,0]=3 5684 B13R0.150 C=CCCCCCCOC(C)C(=O)N 34a_200011216477_100000702099 [0,2,0,0,0,0|1,0,0]=3 5685 B13R0.150 C=CCCCCCCOC(C)C(=O)N 7a_200011216477_100000702099 [0,2,0,0,0,0|1,0,0]=3 5686 B13R0.150 C=CCCCCCCOC(F)C(=O)N 34a_200011216477_100009813875 [0,2,0,0,0,0|1,0,0]=3 5687 B13R0.150 C=CCCCCCCOC(F)C(=O)N 7a_200011216477_100009813875 [0,2,0,0,0,0|1,0,0]=3 5688 B13R0.150 C=CCCCCCCOC(F)C(=O)[O-] 34a_200011216477_100020610796 [0,2,0,0,0,0|0,0,1]=3 5689 B13R0.150 C=CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215473 [0,2,0,0,0,0|0,0,1]=3 5690 B13R0.150 C=CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215473 [0,2,0,0,0,0|1,0,0]=3 5691 B13R0.150 C=CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215473 [0,2,0,0,0,0|1,0,0]=3 5692 B13R0.150 C=CCCCCCCSC(C)C(=O)C 62a_100009814033_100011215473 [0,2,0,0,0,0|1,0,0]=3 5693 B13R0.150 C=CCCCCCCSC(C)C(=O)C 62a_100011215473_100009814033 [0,2,0,0,0,0|1,0,0]=3 5694 B13R0.150 C=CCCCCCCSC(C)C(=O)N 62a_100000702099_100011215473 [0,2,0,0,0,0|1,0,0]=3 5695 B13R0.150 C=CCCCCCCSC(C)C(=O)N 62a_100011215473_100000702099 [0,2,0,0,0,0|1,0,0]=3 5696 B13R0.150 C=CCCCCCCSC(F)C(=O)N 62a_100009813875_100011215473 [0,2,0,0,0,0|1,0,0]=3 5697 B13R0.150 C=CCCCCCCSC(F)C(=O)N 62a_100011215473_100009813875 [0,2,0,0,0,0|1,0,0]=3 5698 B13R0.150 C=CCCCCCCSC(F)C(=O)[O-] 62a_100011215473_100020610796 [0,2,0,0,0,0|0,0,1]=3 5699 B13R0.150 C=CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215473 [0,2,0,0,0,0|0,0,1]=3 5700 B13R0.150 C=CCCCCCNCC(=O)N(C)C 2230a_100015183351_100000700193 [0,2,0,0,0,0|2,0,0]=4 5701 B13R0.150 C=CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000700193 [0,2,0,0,0,0|0,0,0]=2 5702 B13R0.150 C=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000700193 [0,2,0,0,0,0|0,0,0]=2 5703 B13R0.150 C=CCCCCCOCC(=O)C(=O)C 34a_100011216702_100011261029 [0,2,0,0,0,0|1,0,1]=4 5704 B13R0.150 C=CCCCCCOCC(=O)C(C)C 34a_100011216702_100000753385 [0,2,0,0,0,0|2,0,0]=4 5705 B13R0.150 C=CCCCCCOCC(=O)C(C)C 7a_100011216702_100000753385 [0,2,0,0,0,0|2,0,0]=4 5706 B13R0.150 C=CCCCCCOCC(=O)N(C)C 34a_100011216702_100000692301 [0,2,0,0,0,0|2,0,0]=4 5707 B13R0.150 C=CCCCCCOCC(=O)N(C)C 7a_100011216702_100000692301 [0,2,0,0,0,0|2,0,0]=4 5708 B13R0.150 C=CCCCCCOCC(C)C(=O)C 34a_100000032740_100000700193 [0,2,0,0,0,0|1,0,0]=3 5709 B13R0.150 C=CCCCCCOCC(C)C(=O)C 7a_100000032740_100000700193 [0,2,0,0,0,0|1,0,0]=3 5710 B13R0.150 C=CCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000700193 [0,2,0,0,0,0|1,0,1]=4 5711 B13R0.150 C=CCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000700193 [0,2,0,0,0,0|1,0,1]=4 5712 B13R0.150 C=CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000700193 [0,2,0,0,0,0|1,0,0]=3 5713 B13R0.150 C=CCCCCCSCC(=O)C(=O)C 62a_100000700193_100011261029 [0,2,0,0,0,0|1,0,1]=4 5714 B13R0.150 C=CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000700193 [0,2,0,0,0,0|1,0,1]=4 5715 B13R0.150 C=CCCCCCSCC(=O)C(C)C 62a_100000700193_100000753385 [0,2,0,0,0,0|2,0,0]=4 5716 B13R0.150 C=CCCCCCSCC(=O)C(C)C 62a_100000753385_100000700193 [0,2,0,0,0,0|2,0,0]=4 5717 B13R0.150 C=CCCCCCSCC(=O)N(C)C 62a_100000692301_100000700193 [0,2,0,0,0,0|2,0,0]=4 5718 B13R0.150 C=CCCCCCSCC(=O)N(C)C 62a_100000700193_100000692301 [0,2,0,0,0,0|2,0,0]=4 5719 B13R0.150 C=CCCCCNCCC(=O)N(C)C 2230a_100000703577_100000737620 [0,2,0,0,0,0|2,0,0]=4 5720 B13R0.150 C=CCCCCNCCC(=O)N(C)C 2230a_100000738053_100011215482 [0,2,0,0,0,0|2,0,0]=4 5721 B13R0.150 C=CCCCCOCCC(=O)N(C)C 34a_200000747469_100011215482 [0,2,0,0,0,0|2,0,0]=4 5722 B13R0.150 C=CCCCCOCCC(=O)N(C)C 7a_100000766645_100000737620 [0,2,0,0,0,0|2,0,0]=4 5723 B13R0.150 C=CCCCCSCCC(=O)N(C)C 62a_100000737620_100011215482 [0,2,0,0,0,0|2,0,0]=4 5724 B13R0.150 C=CCCCCSCCC(=O)N(C)C 62a_100011215482_100000737620 [0,2,0,0,0,0|2,0,0]=4 5725 B13R0.150 C=CCCCNCCCC(=O)N(C)C 2230a_100000700776_100000737642 [0,2,0,0,0,0|2,0,0]=4 5726 B13R0.150 C=CCCCNCCCC(=O)N(C)C 2230a_200000744827_100011713584 [0,2,0,0,0,0|2,0,0]=4 5727 B13R0.150 C=CCCCOCCCC(=O)N(C)C 7a_100000758997_100000737642 [0,2,0,0,0,0|2,0,0]=4 5728 B13R0.150 C=CCCCSCCCC(=O)N(C)C 62a_100000737642_100000757094 [0,2,0,0,0,0|2,0,0]=4 5729 B13R0.150 C=CCCCSCCCC(=O)N(C)C 62a_100011713584_100000737642 [0,2,0,0,0,0|2,0,0]=4 5730 B13R0.150 C=CCCOCCCCC(=O)N(C)C 34a_100011205117_100000752486 [0,2,0,0,0,0|2,0,0]=4 5731 B13R0.150 C=CCCSCCCCC(=O)N(C)C 62a_100000752486_100000754431 [0,2,0,0,0,0|2,0,0]=4 5732 B13R0.150 C=CCCSCCCCC(=O)N(C)C 62a_100000754431_100000752486 [0,2,0,0,0,0|2,0,0]=4 5733 B13R0.150 CC(=O)C(C)COCCCCCC=O 7a_100000032740_100000139337 [0,2,0,0,0,0|2,0,0]=4 5734 B13R0.150 CC(CNCCCCCC#N)C(=O)O 269956a_100000749485_100009813376 [0,2,0,0,0,0|1,0,1]=4 5735 B13R0.150 CC(CNCCCCCC=O)C(=O)O 269956a_100000749485_100000139337 [0,2,0,0,0,0|1,0,0]=3 5736 B13R0.150 CC(CNCCCCCCF)C(=O)O 269956a_100000749485_100015922095 [0,2,0,0,0,0|1,0,1]=4 5737 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [0,2,0,0,0,0|1,0,1]=4 5738 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [0,2,0,0,0,0|0,0,2]=4 5739 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [0,2,0,0,0,0|0,0,2]=4 5740 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [0,2,0,0,0,0|0,0,2]=4 5741 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,2,0,0,0,0|0,0,2]=4 5742 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,2,0,0,0,0|0,0,2]=4 5743 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,2,0,0,0,0|0,0,2]=4 5744 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [0,2,0,0,0,0|1,0,1]=4 5745 B13R0.150 C[C@@H](O)C(=O)CCCCCCCCO 1458a_100000717761_100000033203 [0,2,0,0,0,0|1,0,1]=4 5746 B13R0.150 C[C@H](NCCCCCCC#N)C(=O)O 269956a_100000743915_100009813337 [0,2,0,0,0,0|1,0,1]=4 5747 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [0,2,0,0,0,0|1,0,1]=4 5748 B13R0.150 C[C@H](O)C(=O)CCCCCCCCO 1458a_217856618621_100000033203 [0,2,0,0,0,0|1,0,1]=4 5749 B13R0.150 N#CCCCCCNCC(F)C(=O)O 269956a_100000084737_100009813376 [0,2,0,0,0,0|1,0,1]=4 5750 B13R0.150 O=C(CCCCCCCCO)C(O)O 1458a_100000233687_100000033203 [0,2,0,0,0,0|1,0,1]=4 5751 B13R0.150 O=C(O)C(F)CNCCCCCCF 269956a_100000084737_100015922095 [0,2,0,0,0,0|1,0,1]=4 5752 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [0,2,0,0,0,0|1,0,1]=4 5753 B13R0.150 O=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000139337 [0,2,0,0,0,0|1,0,0]=3 5754 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_100011934241_100000730704 [0,2,0,0,0,0|2,0,0]=4 5755 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_200000688413_100000700193 [0,2,0,0,0,0|2,0,0]=4 5756 B13R0.154 C=CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000700193 [0,2,0,0,0,0|1,0,0]=3 5757 B13R0.154 C=CCCCCCC(=O)CCC(C)O 1458a_100011934241_100012276601 [0,2,0,0,0,0|1,0,1]=4 5758 B13R0.154 C=CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000700193 [0,2,0,0,0,0|1,0,1]=4 5759 B13R0.154 C=CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000700193 [0,2,0,0,0,0|1,0,1]=4 5760 B13R0.154 C=CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000700193 [0,2,0,0,0,0|1,0,1]=4 5761 B13R0.154 C=CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000700193 [0,2,0,0,0,0|1,0,1]=4 5762 B13R0.154 C=CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000700193 [0,2,0,0,0,0|1,0,1]=4 5763 B13R0.154 C=CCCCCCC(=O)NCC(=O)N 11a_100000711301_100011934241 [0,2,0,0,0,0|1,0,1]=4 5764 B13R0.154 C=CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100011934241 [0,2,0,0,0,0|1,0,1]=4 5765 B13R0.154 C=CCCCCCC(=O)NCC(=O)N 527a_100000711301_100011934241 [0,2,0,0,0,0|1,0,1]=4 5766 B13R0.154 C=CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000700193 [0,2,0,0,0,0|1,0,0]=3 5767 B13R0.154 C=CCCCCNC(=O)CCC(=O)N 240690a_100000703577_100011215257 [0,2,0,0,0,0|1,0,1]=4 5768 B13R0.154 C=CCCCCNC(=O)CCC(=O)N 527a_100000703577_100011215257 [0,2,0,0,0,0|1,0,1]=4 5769 B13R0.154 C=CCCCCNC(C)CCC(=C)C 270004a_100000703577_100011215600 [0,2,0,0,0,0|2,0,0]=4 5770 B13R0.154 C=CCCCCNC(C)COC(=O)C 270004a_100000703577_100000000629 [0,2,0,0,0,0|2,0,0]=4 5771 B13R0.154 C=CCCCNCC(=O)NCC(=O)O 269956a_100000183575_100011713584 [0,2,0,0,0,0|1,0,1]=4 5772 B13R0.154 C=CCCCNCC(C)CSC(=O)C 2230a_100000700776_200000116872 [0,2,0,0,0,0|2,0,0]=4 5773 B13R0.154 C=CCCCNCC(C)CSC(=O)C 34a_100000700776_200000116872 [0,2,0,0,0,0|2,0,0]=4 5774 B13R0.154 C=CCCCNCC(O)COC(=O)C 34a_100000700776_200000139349 [0,2,0,0,0,0|2,0,0]=4 5775 B13R0.154 C=CCCCOCC(C)CSC(=O)C 34a_100000758997_200000116872 [0,2,0,0,0,0|2,0,0]=4 5776 B13R0.154 C=CCCCOCC(C)CSC(=O)C 7a_100000758997_200000116872 [0,2,0,0,0,0|2,0,0]=4 5777 B13R0.154 C=CCCCOCC(O)COC(=O)C 34a_100000758997_200000139349 [0,2,0,0,0,0|2,0,0]=4 5778 B13R0.154 C=CCCCOCC(O)COC(=O)C 7a_100000758997_200000139349 [0,2,0,0,0,0|2,0,0]=4 5779 B13R0.154 C=CCCCSCC(C)CSC(=O)C 62a_100011713584_200000116872 [0,2,0,0,0,0|2,0,0]=4 5780 B13R0.154 C=CCCCSCC(C)CSC(=O)C 62a_200000116872_100000757094 [0,2,0,0,0,0|2,0,0]=4 5781 B13R0.154 C=CCCCSCC(O)COC(=O)C 62a_100011713584_200000139349 [0,2,0,0,0,0|2,0,0]=4 5782 B13R0.154 C=CCCCSCC(O)COC(=O)C 62a_200000139349_100000757094 [0,2,0,0,0,0|2,0,0]=4 5783 B13R0.154 C=CCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000754431 [0,2,0,0,0,0|1,0,1]=4 5784 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,2,0,0,0,0|0,0,2]=4 5785 B13R0.154 CN(CCCCCC=O)CCC(=O)N 2230a_100000730477_100000139337 [0,2,0,0,0,0|2,0,0]=4 5786 B13R0.179 C=C(Br)CCOCCCCCB(O)O 34a_100009813270_200009817188 [0,2,0,0,0,0|1,0,1]=4 5787 B13R0.179 C=C(Br)CCOCCCCCC(=O)N 34a_100009813270_100009817443 [0,2,0,0,0,0|1,0,0]=3 5788 B13R0.179 C=C(Br)CCOCCCCOC(=O)C 34a_100009813270_100000033659 [0,2,0,0,0,0|2,0,0]=4 5789 B13R0.179 C=C(Br)CCOCCCCSC(=O)C 34a_100009813270_200010402107 [0,2,0,0,0,0|2,0,0]=4 5790 B13R0.179 C=C(C)CCNCCCCNC(=O)C 2230a_200011368371_100000730704 [0,2,0,0,0,0|2,0,0]=4 5791 B13R0.179 C=C(C)CCNCCCCNC(=O)C 34a_200011368371_100000730704 [0,2,0,0,0,0|2,0,0]=4 5792 B13R0.179 C=C(C)CCOCCCCCB(O)O 34a_100000764851_200009817188 [0,2,0,0,0,0|1,0,1]=4 5793 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000123541_100000730704 [0,2,0,0,0,0|1,0,0]=3 5794 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000764851_100009817443 [0,2,0,0,0,0|1,0,0]=3 5795 B13R0.179 C=C(C)CCOCCCCCC(=O)N 7a_100000123541_100000730704 [0,2,0,0,0,0|1,0,0]=3 5796 B13R0.179 C=C(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000730704 [0,2,0,0,0,0|0,0,1]=3 5797 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000073216_100000730704 [0,2,0,0,0,0|2,0,0]=4 5798 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000764851_100000033659 [0,2,0,0,0,0|2,0,0]=4 5799 B13R0.179 C=C(C)CCOCCCCOC(=O)C 7a_100000073216_100000730704 [0,2,0,0,0,0|2,0,0]=4 5800 B13R0.179 C=C(C)CCOCCCCSC(=O)C 34a_100000764851_200010402107 [0,2,0,0,0,0|2,0,0]=4 5801 B13R0.179 C=C(C)CCSCCCCCB(O)O 62a_100000730704_200009817188 [0,2,0,0,0,0|1,0,1]=4 5802 B13R0.179 C=C(C)CCSCCCCCB(O)O 62a_200009817188_100000730704 [0,2,0,0,0,0|1,0,1]=4 5803 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100000730704_100009817443 [0,2,0,0,0,0|1,0,0]=3 5804 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100009817443_100000730704 [0,2,0,0,0,0|1,0,0]=3 5805 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000033659_100000730704 [0,2,0,0,0,0|2,0,0]=4 5806 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000730704_100000033659 [0,2,0,0,0,0|2,0,0]=4 5807 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_100000730704_200010402107 [0,2,0,0,0,0|2,0,0]=4 5808 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_200010402107_100000730704 [0,2,0,0,0,0|2,0,0]=4 5809 B13R0.179 C=C(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748629 [0,2,0,0,0,0|2,0,0]=4 5810 B13R0.179 C=C(C)CNCCCCCNC(=O)C 34a_200012022750_100000748629 [0,2,0,0,0,0|2,0,0]=4 5811 B13R0.179 C=C(C)COCCCCCCB(O)O 34a_100000210245_100009817187 [0,2,0,0,0,0|1,0,1]=4 5812 B13R0.179 C=C(C)COCCCCCOC(=O)C 34a_100000210245_100000033007 [0,2,0,0,0,0|2,0,0]=4 5813 B13R0.179 C=C(C)CSCCCCCCB(O)O 62a_100000748629_100009817187 [0,2,0,0,0,0|1,0,1]=4 5814 B13R0.179 C=C(C)CSCCCCCCB(O)O 62a_100009817187_100000211660 [0,2,0,0,0,0|1,0,1]=4 5815 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000033007_100000211660 [0,2,0,0,0,0|2,0,0]=4 5816 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000748629_100000033007 [0,2,0,0,0,0|2,0,0]=4 5817 B13R0.179 C=C(F)CNCCCCCNC(=O)C 2230a_200012022750_100009893438 [0,2,0,0,0,0|2,0,0]=4 5818 B13R0.179 C=C(F)CNCCCCCNC(=O)C 34a_200012022750_100009893438 [0,2,0,0,0,0|2,0,0]=4 5819 B13R0.179 C=C(F)COCCCCCCB(O)O 34a_200010262243_100009817187 [0,2,0,0,0,0|1,0,1]=4 5820 B13R0.179 C=C(F)COCCCCCOC(=O)C 34a_200010262243_100000033007 [0,2,0,0,0,0|2,0,0]=4 5821 B13R0.179 C=C(F)CSCCCCCCB(O)O 62a_100000042424_100009817187 [0,2,0,0,0,0|1,0,1]=4 5822 B13R0.179 C=C(F)CSCCCCCCB(O)O 62a_100009817187_100000042424 [0,2,0,0,0,0|1,0,1]=4 5823 B13R0.179 C=C(F)CSCCCCCOC(=O)C 62a_100000033007_100000042424 [0,2,0,0,0,0|2,0,0]=4 5824 B13R0.179 C=C(F)CSCCCCCOC(=O)C 62a_100000042424_100000033007 [0,2,0,0,0,0|2,0,0]=4 5825 B13R0.179 CC(=CCCNCCCCC(=O)N)C 34a_100000696515_100011217483 [0,2,0,0,0,0|2,0,0]=4 5826 B13R0.179 CC(=CCCNCCOCC(=O)O)C 269956a_100000700818_100011217483 [0,2,0,0,0,0|2,0,0]=4 5827 B13R0.179 CC(=CCCOCCCCC(=O)N)C 34a_100012022536_100011217483 [0,2,0,0,0,0|2,0,0]=4 5828 B13R0.179 CC(=CCCOCCCCC(=O)N)C 7a_100012022536_100011217483 [0,2,0,0,0,0|2,0,0]=4 5829 B13R0.179 CC(=CCNCCCCCC(=O)N)C 34a_100000718196_100009817443 [0,2,0,0,0,0|2,0,0]=4 5830 B13R0.179 CC(=CCOCCCCCC(=O)N)C 34a_100000123541_100000761012 [0,2,0,0,0,0|2,0,0]=4 5831 B13R0.179 CC(=CCOCCCCCC(=O)N)C 34a_100000753907_100009817443 [0,2,0,0,0,0|2,0,0]=4 5832 B13R0.179 CC(=CCOCCCCCC(=O)N)C 7a_100000123541_100000761012 [0,2,0,0,0,0|2,0,0]=4 5833 B13R0.179 CC(=CCOCCCCCC(=O)[O-])C 7a_100102619762_100000761012 [0,2,0,0,0,0|1,0,1]=4 5834 B13R0.179 CC(=CCSCCCCCC(=O)N)C 62a_100000761012_100009817443 [0,2,0,0,0,0|2,0,0]=4 5835 B13R0.179 CC(=CCSCCCCCC(=O)N)C 62a_100009817443_100000761012 [0,2,0,0,0,0|2,0,0]=4 5836 B13R0.179 CC(=O)CCCCNCCCC(=O)N 34a_100000739312_100009817362 [0,2,0,0,0,0|1,0,1]=4 5837 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [0,2,0,0,0,0|1,0,1]=4 5838 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [0,2,0,0,0,0|1,0,1]=4 5839 B13R0.179 CC(=O)CCCCSCCC=C(C)C 62a_100000735457_100011217483 [0,2,0,0,0,0|2,0,0]=4 5840 B13R0.179 CC(=O)CCCCSCCC=C(C)C 62a_100011217483_100000735457 [0,2,0,0,0,0|2,0,0]=4 5841 B13R0.179 CC(=O)CCCCSCCC=C(F)F 62a_100000735457_200009816681 [0,2,0,0,0,0|2,0,0]=4 5842 B13R0.179 CC(=O)CCCCSCCC=C(F)F 62a_200009816681_100000735457 [0,2,0,0,0,0|2,0,0]=4 5843 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [0,2,0,0,0,0|1,0,1]=4 5844 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [0,2,0,0,0,0|1,0,1]=4 5845 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100000735457_100102525003 [0,2,0,0,0,0|1,0,1]=4 5846 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000735457 [0,2,0,0,0,0|1,0,1]=4 5847 B13R0.179 CC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000685027 [0,2,0,0,0,0|1,0,1]=4 5848 B13R0.179 CC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100011215641 [0,2,0,0,0,0|1,0,1]=4 5849 B13R0.179 CC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000685027 [0,2,0,0,0,0|1,0,1]=4 5850 B13R0.179 CC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215641 [0,2,0,0,0,0|1,0,1]=4 5851 B13R0.179 CC(=O)CCOCCCCCC(=O)N 34a_100000759926_100009817443 [0,2,0,0,0,0|1,0,1]=4 5852 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000053229 [0,2,0,0,0,0|1,0,1]=4 5853 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000759926_100009817443 [0,2,0,0,0,0|1,0,1]=4 5854 B13R0.179 CC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000053229 [0,2,0,0,0,0|0,0,2]=4 5855 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100000053229_100009817443 [0,2,0,0,0,0|1,0,1]=4 5856 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000053229 [0,2,0,0,0,0|1,0,1]=4 5857 B13R0.179 CC(=O)OCCCCCNCC(=O)O 269956a_100016091260_100000033007 [0,2,0,0,0,0|1,0,1]=4 5858 B13R0.179 NC(=O)CCCCCNOCC(=O)O 269956a_100000106656_100009817443 [0,2,0,0,0,0|2,0,0]=4 5859 B13R0.179 NC(=O)CCCCCOCCC(=O)N 34a_100000123541_100000731001 [0,2,0,0,0,0|2,0,0]=4 5860 B13R0.179 NC(=O)CCCCCOCCC(=O)N 34a_100000757172_100009817443 [0,2,0,0,0,0|2,0,0]=4 5861 B13R0.179 NC(=O)CCCCCOCCC(=O)N 7a_100000123541_100000744528 [0,2,0,0,0,0|2,0,0]=4 5862 B13R0.179 NC(=O)CCCCCOCCC(=O)N 7a_100000757172_100009817443 [0,2,0,0,0,0|2,0,0]=4 5863 B13R0.179 NC(=O)CCCCCSCCC(=O)N 62a_100000744528_100009817443 [0,2,0,0,0,0|2,0,0]=4 5864 B13R0.179 NC(=O)CCCCCSCCC(=O)N 62a_100009817443_100000744528 [0,2,0,0,0,0|2,0,0]=4 5865 B13R0.179 NC(=O)CCCCNCCC=C(F)F 34a_100000696515_200009816681 [0,2,0,0,0,0|2,0,0]=4 5866 B13R0.179 NC(=O)CCCCNCCCC(=O)N 34a_100000696515_100102525003 [0,2,0,0,0,0|2,0,0]=4 5867 B13R0.179 NC(=O)CCCCOCCC=C(F)F 34a_100012022536_200009816681 [0,2,0,0,0,0|2,0,0]=4 5868 B13R0.179 NC(=O)CCCCOCCC=C(F)F 7a_100012022536_200009816681 [0,2,0,0,0,0|2,0,0]=4 5869 B13R0.179 NC(=O)CCCCOCCCC(=O)N 34a_100012022536_100102525003 [0,2,0,0,0,0|2,0,0]=4 5870 B13R0.179 NC(=O)CCCCOCCCC(=O)N 7a_100012022536_100102525003 [0,2,0,0,0,0|2,0,0]=4 5871 B13R0.179 NC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100102525003 [0,2,0,0,0,0|2,0,0]=4 5872 B13R0.179 NC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000744528 [0,2,0,0,0,0|1,0,1]=4 5873 B13R0.179 O=C(O)CNCCCCCCB(O)O 269956a_100016091260_100009817187 [0,2,0,0,0,0|2,0,0]=4 5874 B13R0.179 O=C(O)COCCNCCC=C(F)F 269956a_100000700818_200009816681 [0,2,0,0,0,0|2,0,0]=4 5875 B13R0.202 C#CC(O)CCCCCNCC(=O)O 269956a_100016091260_200010408556 [0,2,0,0,0,0|0,0,2]=4 5876 B13R0.202 C=C(Br)CCOCCCCC(=O)OC 34a_100009813270_100000204269 [0,2,0,0,0,0|1,0,0]=3 5877 B13R0.202 C=C(Br)CCOCCOCC(=O)OC 34a_100009813270_100000090808 [0,2,0,0,0,0|2,0,0]=4 5878 B13R0.202 C=C(C#N)COCCCCCC(=O)N 34a_100000123541_100000694840 [0,2,0,0,0,0|2,0,0]=4 5879 B13R0.202 C=C(C#N)CSCCCCCC(=O)N 62a_100009817443_100000694840 [0,2,0,0,0,0|2,0,0]=4 5880 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000059025_100000730704 [0,2,0,0,0,0|1,0,0]=3 5881 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000764851_100000204269 [0,2,0,0,0,0|1,0,0]=3 5882 B13R0.202 C=C(C)CCOCCCCC(=O)OC 7a_100000059025_100000730704 [0,2,0,0,0,0|1,0,0]=3 5883 B13R0.202 C=C(C)CCOCCOCC(=O)OC 34a_100000764851_100000090808 [0,2,0,0,0,0|2,0,0]=4 5884 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000204269_100000730704 [0,2,0,0,0,0|1,0,0]=3 5885 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000730704_100000204269 [0,2,0,0,0,0|1,0,0]=3 5886 B13R0.202 C=C(C)CCSCCOCC(=O)OC 62a_100000090808_100000730704 [0,2,0,0,0,0|2,0,0]=4 5887 B13R0.202 C=C(C)CCSCCOCC(=O)OC 62a_100000730704_100000090808 [0,2,0,0,0,0|2,0,0]=4 5888 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000074720_100000748629 [0,2,0,0,0,0|1,0,0]=3 5889 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000210245_100009816466 [0,2,0,0,0,0|1,0,0]=3 5890 B13R0.202 C=C(C)COCCCCCC(=O)OC 7a_100000074720_100000748629 [0,2,0,0,0,0|1,0,0]=3 5891 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100000748629_100009816466 [0,2,0,0,0,0|1,0,0]=3 5892 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100009816466_100000211660 [0,2,0,0,0,0|1,0,0]=3 5893 B13R0.202 C=C(F)COCCCCCC(=O)OC 34a_100000074720_100009893438 [0,2,0,0,0,0|1,0,0]=3 5894 B13R0.202 C=C(F)COCCCCCC(=O)OC 34a_200010262243_100009816466 [0,2,0,0,0,0|1,0,0]=3 5895 B13R0.202 C=C(F)COCCCCCC(=O)OC 7a_100000074720_100000042424 [0,2,0,0,0,0|1,0,0]=3 5896 B13R0.202 C=C(F)CSCCCCCC(=O)OC 62a_100000042424_100009816466 [0,2,0,0,0,0|1,0,0]=3 5897 B13R0.202 C=C(F)CSCCCCCC(=O)OC 62a_100009816466_100000042424 [0,2,0,0,0,0|1,0,0]=3 5898 B13R0.202 C=CC(=O)OCCCCCCC(=O)C 1458a_100000070787_100009894100 [0,2,0,0,0,0|1,0,1]=4 5899 B13R0.202 C=CC(C)COCCCCCB(O)O 34a_100011215527_200009817188 [0,2,0,0,0,0|1,0,1]=4 5900 B13R0.202 C=CC(C)COCCCCCB(O)O 7a_100011215527_200009817188 [0,2,0,0,0,0|1,0,1]=4 5901 B13R0.202 C=CC(C)COCCCCCC(=O)N 34a_100011215527_100009817443 [0,2,0,0,0,0|1,0,0]=3 5902 B13R0.202 C=CC(C)COCCCCCC(=O)N 7a_100011215527_100009817443 [0,2,0,0,0,0|1,0,0]=3 5903 B13R0.202 C=CC(C)COCCCCOC(=O)C 34a_100011215527_100000033659 [0,2,0,0,0,0|2,0,0]=4 5904 B13R0.202 C=CC(C)COCCCCOC(=O)C 7a_100011215527_100000033659 [0,2,0,0,0,0|2,0,0]=4 5905 B13R0.202 C=CC(C)COCCCCSC(=O)C 34a_100011215527_200010402107 [0,2,0,0,0,0|2,0,0]=4 5906 B13R0.202 C=CC(C)COCCCCSC(=O)C 7a_100011215527_200010402107 [0,2,0,0,0,0|2,0,0]=4 5907 B13R0.202 C=CC(C)OCCCCCCB(O)O 34a_100000695699_100009817187 [0,2,0,0,0,0|1,0,1]=4 5908 B13R0.202 C=CC(C)OCCCCCOC(=O)C 34a_100000695699_100000033007 [0,2,0,0,0,0|2,0,0]=4 5909 B13R0.202 C=CC(C)SCCCCCCB(O)O 62a_100011215867_100009817187 [0,2,0,0,0,0|1,0,1]=4 5910 B13R0.202 C=CC(C)SCCCCCOC(=O)C 62a_100011215867_100000033007 [0,2,0,0,0,0|2,0,0]=4 5911 B13R0.202 C=CC(O)CNCCCCNC(=O)C 2230a_200011368371_100000730141 [0,2,0,0,0,0|2,0,0]=4 5912 B13R0.202 C=CC(O)CNCCCCNC(=O)C 34a_200011368371_100000730141 [0,2,0,0,0,0|2,0,0]=4 5913 B13R0.202 C=CC(O)COCCCCCC(=O)N 34a_100000123541_100000730141 [0,2,0,0,0,0|1,0,0]=3 5914 B13R0.202 C=CC(O)COCCCCCC(=O)N 7a_100000123541_100000730141 [0,2,0,0,0,0|1,0,0]=3 5915 B13R0.202 C=CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100000730141 [0,2,0,0,0,0|0,0,1]=3 5916 B13R0.202 C=CC(O)COCCCCOC(=O)C 34a_100000073216_100000730141 [0,2,0,0,0,0|2,0,0]=4 5917 B13R0.202 C=CC(O)COCCCCOC(=O)C 7a_100000073216_100000730141 [0,2,0,0,0,0|2,0,0]=4 5918 B13R0.202 C=CC(O)CSCCCCCB(O)O 62a_100000730141_200009817188 [0,2,0,0,0,0|1,0,1]=4 5919 B13R0.202 C=CC(O)CSCCCCCB(O)O 62a_200009817188_100000730141 [0,2,0,0,0,0|1,0,1]=4 5920 B13R0.202 C=CC(O)CSCCCCCC(=O)N 62a_100000730141_100009817443 [0,2,0,0,0,0|1,0,0]=3 5921 B13R0.202 C=CC(O)CSCCCCCC(=O)N 62a_100009817443_100000730141 [0,2,0,0,0,0|1,0,0]=3 5922 B13R0.202 C=CC(O)CSCCCCOC(=O)C 62a_100000033659_100000730141 [0,2,0,0,0,0|2,0,0]=4 5923 B13R0.202 C=CC(O)CSCCCCOC(=O)C 62a_100000730141_100000033659 [0,2,0,0,0,0|2,0,0]=4 5924 B13R0.202 C=CC(O)CSCCCCSC(=O)C 62a_100000730141_200010402107 [0,2,0,0,0,0|2,0,0]=4 5925 B13R0.202 C=CC(O)CSCCCCSC(=O)C 62a_200010402107_100000730141 [0,2,0,0,0,0|2,0,0]=4 5926 B13R0.202 C=C[C@H](N)COCCCCCB(O)O 34a_100016989147_200009817188 [0,2,0,0,0,0|1,0,1]=4 5927 B13R0.202 C=C[C@H](N)COCCCCCC(=O)N 34a_100016989147_100009817443 [0,2,0,0,0,0|1,0,0]=3 5928 B13R0.202 C=C[C@H](N)COCCCCOC(=O)C 34a_100016989147_100000033659 [0,2,0,0,0,0|2,0,0]=4 5929 B13R0.202 C=C[C@H](N)COCCCCSC(=O)C 34a_100016989147_200010402107 [0,2,0,0,0,0|2,0,0]=4 5930 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000033222_200000210301 [0,2,0,0,0,0|0,0,1]=3 5931 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000070787_100010004213 [0,2,0,0,0,0|0,0,1]=3 5932 B13R0.202 COC(=O)CCCCCCCC(=O)[13CH3] 1458a_100000033222_200025704644 [0,2,0,0,0,0|0,0,1]=3 5933 B13R0.202 COC(=O)CCCCCCCN(C)C 2230a_100102631434_100010004213 [0,2,0,0,0,0|1,0,1]=4 5934 B13R0.202 COC(=O)CCCCCCCN(C)C 269982a_100102631434_100010004213 [0,2,0,0,0,0|1,0,1]=4 5935 B13R0.202 COC(=O)CCCCCCNC(=O)C 188690a_100000739044_100015343762 [0,2,0,0,0,0|1,0,1]=4 5936 B13R0.202 COC(=O)CCCCCNCC(=O)N 2230a_100000711301_100009816466 [0,2,0,0,0,0|2,0,0]=4 5937 B13R0.202 COC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009816466 [0,2,0,0,0,0|1,0,1]=4 5938 B13R0.202 COC(=O)CCCCCOCC(=O)C 34a_100000211253_100009816466 [0,2,0,0,0,0|1,0,1]=4 5939 B13R0.202 COC(=O)CCCCCOCC(=O)N 34a_100000074720_100000187820 [0,2,0,0,0,0|2,0,0]=4 5940 B13R0.202 COC(=O)CCCCCOCC(=O)N 7a_100000074720_100000187820 [0,2,0,0,0,0|2,0,0]=4 5941 B13R0.202 COC(=O)CCCCCOCC(=O)[O-] 34a_100000074720_100020667443 [0,2,0,0,0,0|2,0,0]=4 5942 B13R0.202 COC(=O)CCCCCSCC(=O)N 62a_100000747473_100009816466 [0,2,0,0,0,0|2,0,0]=4 5943 B13R0.202 COC(=O)CCCCCSCC(=O)N 62a_100009816466_100000747473 [0,2,0,0,0,0|2,0,0]=4 5944 B13R0.202 COC(=O)CCCCCSCC(=O)[O-] 62a_100009816466_100020667443 [0,2,0,0,0,0|2,0,0]=4 5945 B13R0.202 COC(=O)CCCCCSCC(=O)[O-] 62a_100020667443_100009816466 [0,2,0,0,0,0|2,0,0]=4 5946 B13R0.202 COC(=O)CCCCOCCC(=O)C 34a_100000759926_100000204269 [0,2,0,0,0,0|1,0,1]=4 5947 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000059025_100000053229 [0,2,0,0,0,0|1,0,1]=4 5948 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000759926_100000204269 [0,2,0,0,0,0|1,0,1]=4 5949 B13R0.202 COC(=O)CCCCOCCC(=O)N 34a_100000059025_100000731001 [0,2,0,0,0,0|2,0,0]=4 5950 B13R0.202 COC(=O)CCCCOCCC(=O)N 34a_100000757172_100000204269 [0,2,0,0,0,0|2,0,0]=4 5951 B13R0.202 COC(=O)CCCCOCCC(=O)N 7a_100000059025_100000744528 [0,2,0,0,0,0|2,0,0]=4 5952 B13R0.202 COC(=O)CCCCOCCC(=O)N 7a_100000757172_100000204269 [0,2,0,0,0,0|2,0,0]=4 5953 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000053229_100000204269 [0,2,0,0,0,0|1,0,1]=4 5954 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000204269_100000053229 [0,2,0,0,0,0|1,0,1]=4 5955 B13R0.202 COC(=O)CCCCSCCC(=O)N 62a_100000204269_100000744528 [0,2,0,0,0,0|2,0,0]=4 5956 B13R0.202 COC(=O)CCCCSCCC(=O)N 62a_100000744528_100000204269 [0,2,0,0,0,0|2,0,0]=4 5957 B13R0.202 COC(=O)CCCNCCCC(=O)N 34a_100000739312_100000742333 [0,2,0,0,0,0|2,0,0]=4 5958 B13R0.202 COC(=O)CCCOCCCC(=O)C 34a_100000759063_100000742333 [0,2,0,0,0,0|1,0,1]=4 5959 B13R0.202 COC(=O)CCCOCCCC(=O)C 7a_100000759063_100011218270 [0,2,0,0,0,0|1,0,1]=4 5960 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011215641_100011218270 [0,2,0,0,0,0|1,0,1]=4 5961 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011218270_100011215641 [0,2,0,0,0,0|1,0,1]=4 5962 B13R0.202 COC(=O)CCCSCCCC(=O)N 62a_100011218270_100102525003 [0,2,0,0,0,0|2,0,0]=4 5963 B13R0.202 COC(=O)CCCSCCCC(=O)N 62a_100102525003_100011218270 [0,2,0,0,0,0|2,0,0]=4 5964 B13R0.202 COC(=O)CCNCCCCC(=O)N 34a_100000696515_100000742370 [0,2,0,0,0,0|2,0,0]=4 5965 B13R0.202 COC(=O)CCOCCCCC(=O)N 34a_100012022536_100000742370 [0,2,0,0,0,0|2,0,0]=4 5966 B13R0.202 COC(=O)CCOCCCCC(=O)N 7a_100012022536_100000204255 [0,2,0,0,0,0|2,0,0]=4 5967 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000204255_100000735457 [0,2,0,0,0,0|1,0,1]=4 5968 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000735457_100000204255 [0,2,0,0,0,0|1,0,1]=4 5969 B13R0.202 COC(=O)COCCCCCC(=O)N 34a_100000123541_100000747449 [0,2,0,0,0,0|2,0,0]=4 5970 B13R0.202 COC(=O)COCCCCCC(=O)N 7a_100000123541_100000747449 [0,2,0,0,0,0|2,0,0]=4 5971 B13R0.202 COC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747449 [0,2,0,0,0,0|2,0,0]=4 5972 B13R0.202 COC(=O)CSCCCCCC(=O)N 62a_100000747449_100009817443 [0,2,0,0,0,0|2,0,0]=4 5973 B13R0.202 COC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747449 [0,2,0,0,0,0|2,0,0]=4 5974 B13R0.2 C#CCC(=O)CCCCCCCC=C 1458a_100011216160_100000184674 [0,2,0,0,0,0|1,0,0]=3 5975 B13R0.2 C#CCC(=O)CCCCCCCC=C 1458a_100011220946_100012355270 [0,2,0,0,0,0|1,0,0]=3 5976 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100000087357_100000211926 [0,2,0,0,0,0|0,0,2]=4 5977 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100011216618_100153394163 [0,2,0,0,0,0|0,0,2]=4 5978 B13R0.2 C#CCCCCCCCC(=O)COC 1458a_100000210968_100153394163 [0,2,0,0,0,0|0,0,2]=4 5979 B13R0.2 C=CCCCCCCCC(=O)C#CC 1458a_100000763181_100012355270 [0,2,0,0,0,0|1,0,0]=3 5980 B13R0.2 C=CCCCCCCCC(=O)C=CBr 1458a_100016273825_100012355270 [0,2,0,0,0,0|1,0,0]=3 5981 B13R0.2 C=CCCCCCCCC(=O)C=CC 1458a_100000210699_100012355270 [0,2,0,0,0,0|1,0,0]=3 5982 B13R0.2 C=CCCCCCCCC(=O)C=CCl 1458a_200016279998_100012355270 [0,2,0,0,0,0|1,0,0]=3 5983 B13R0.2 C=CCCCCCCCC(=O)C=CI 1458a_100016256311_100012355270 [0,2,0,0,0,0|1,0,0]=3 5984 B13R0.2 C=CCCCCCCCC(=O)CC#N 1458a_100011216160_100011214920 [0,2,0,0,0,0|1,0,0]=3 5985 B13R0.2 C=CCCCCCCCC(=O)CC#N 1458a_100051588842_100012355270 [0,2,0,0,0,0|1,0,0]=3 5986 B13R0.2 C=CCCCCCCCC(=O)CC=C 1458a_100000210193_100012355270 [0,2,0,0,0,0|1,0,0]=3 5987 B13R0.2 C=CCCCCCCCC(=O)CC=C 1458a_100011216160_100000210623 [0,2,0,0,0,0|1,0,0]=3 5988 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,2,0,0,0,0|1,0,0]=3 5989 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,2,0,0,0,0|1,0,0]=3 5990 B13R0.2 C=CCCCCCCCC(=O)CCF 1458a_100011216160_100011217306 [0,2,0,0,0,0|1,0,0]=3 5991 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,2,0,0,0,0|0,0,0]=2 5992 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,2,0,0,0,0|0,0,0]=2 5993 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,2,0,0,0,0|0,0,0]=2 5994 B13R0.2 C=CCCCCCCCC(=O)CSC 1458a_100000184570_100012355270 [0,2,0,0,0,0|0,1,0]=3 5995 B13R0.2 C=CCCCCCCCC(=O)NCC 11a_100015525214_100011216160 [0,2,0,0,0,0|1,0,0]=3 5996 B13R0.2 C=CCCCCCCCC(=O)NCC 240690a_100015525214_100011216160 [0,2,0,0,0,0|1,0,0]=3 5997 B13R0.2 C=CCCCCCCCC(=O)NCC 527a_100015525214_100011216160 [0,2,0,0,0,0|1,0,0]=3 5998 B13R0.2 C=CCCCCCCCC(=O)NNC 22a_100016993582_100011216160 [0,2,0,0,0,0|1,0,0]=3 5999 B13R0.2 C=CCCCCCCCN(C)CCO 2230a_100000210263_100012355270 [0,2,0,0,0,0|2,0,0]=4 6000 B13R0.2 C=CCCCCCCCN(C)CCO 269982a_100000210263_100012355270 [0,2,0,0,0,0|2,0,0]=4 6001 B13R0.2 C=CCCCCCNCC(=O)NCC 2230a_100016988866_100000700193 [0,2,0,0,0,0|2,0,0]=4 6002 B13R0.2 C=CCCCCCOCC(=O)CCC 7a_100011216702_100000747444 [0,2,0,0,0,0|2,0,0]=4 6003 B13R0.2 C=CCCCCCOCC(=O)NCC 34a_100011216702_100000183381 [0,2,0,0,0,0|2,0,0]=4 6004 B13R0.2 C=CCCCCCOCC(=O)NCC 7a_100011216702_100000183381 [0,2,0,0,0,0|2,0,0]=4 6005 B13R0.2 C=CCCCCCOCC(=O)NCO 34a_100011216702_100000185155 [0,2,0,0,0,0|1,0,0]=3 6006 B13R0.2 C=CCCCCCOCC(=O)NCO 7a_100011216702_100000185155 [0,2,0,0,0,0|1,0,0]=3 6007 B13R0.2 C=CCCCCCOCC(=O)OC=C 34a_100011216702_100000036128 [0,2,0,0,0,0|1,0,0]=3 6008 B13R0.2 C=CCCCCCOCC(=O)OCC 34a_100011216702_100000188475 [0,2,0,0,0,0|1,0,0]=3 6009 B13R0.2 C=CCCCCCOCC(=O)OCC 7a_100011216702_100000188475 [0,2,0,0,0,0|1,0,0]=3 6010 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000700193_100000747444 [0,2,0,0,0,0|2,0,0]=4 6011 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000747444_100000700193 [0,2,0,0,0,0|2,0,0]=4 6012 B13R0.2 C=CCCCCCSCC(=O)NCC 62a_100000183381_100000700193 [0,2,0,0,0,0|2,0,0]=4 6013 B13R0.2 C=CCCCCCSCC(=O)NCC 62a_100000700193_100000183381 [0,2,0,0,0,0|2,0,0]=4 6014 B13R0.2 C=CCCCCCSCC(=O)NCO 62a_100000185155_100000700193 [0,2,0,0,0,0|1,0,0]=3 6015 B13R0.2 C=CCCCCCSCC(=O)NCO 62a_100000700193_100000185155 [0,2,0,0,0,0|1,0,0]=3 6016 B13R0.2 C=CCCCCCSCC(=O)OC=C 62a_100000036128_100000700193 [0,2,0,0,0,0|1,0,0]=3 6017 B13R0.2 C=CCCCCCSCC(=O)OC=C 62a_100000700193_100000036128 [0,2,0,0,0,0|1,0,0]=3 6018 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000188475_100000700193 [0,2,0,0,0,0|1,0,0]=3 6019 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000700193_100000188475 [0,2,0,0,0,0|1,0,0]=3 6020 B13R0.2 C=CCCCCNCCC(=O)NCC 2230a_100000703577_100000737597 [0,2,0,0,0,0|2,0,0]=4 6021 B13R0.2 C=CCCCCNCCC(=O)NCC 34a_100025743525_100011215482 [0,2,0,0,0,0|2,0,0]=4 6022 B13R0.2 C=CCCCCNCCC(=O)OCC 2230a_100000703577_100011206558 [0,2,0,0,0,0|1,0,0]=3 6023 B13R0.2 C=CCCCCNCCC(=O)OCC 34a_100000703577_100000765890 [0,2,0,0,0,0|1,0,0]=3 6024 B13R0.2 C=CCCCCOCCC(=O)NCC 7a_100000766645_100000737597 [0,2,0,0,0,0|2,0,0]=4 6025 B13R0.2 C=CCCCCOCCC(=O)OCC 34a_100000766645_100000765890 [0,2,0,0,0,0|1,0,0]=3 6026 B13R0.2 C=CCCCCOCCC(=O)OCC 7a_100000766645_100011206558 [0,2,0,0,0,0|1,0,0]=3 6027 B13R0.2 C=CCCCCSCCC(=O)NCC 62a_100000737597_100011215482 [0,2,0,0,0,0|2,0,0]=4 6028 B13R0.2 C=CCCCCSCCC(=O)NCC 62a_100011215482_100000737597 [0,2,0,0,0,0|2,0,0]=4 6029 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100000765890_100011215482 [0,2,0,0,0,0|1,0,0]=3 6030 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100011215482_100000765890 [0,2,0,0,0,0|1,0,0]=3 6031 B13R0.2 C=CCCCCSCOC(=O)OCC 62a_100011215482_100000075025 [0,2,0,0,0,0|2,0,0]=4 6032 B13R0.2 C=CCCCNCCCC(=O)OCC 2230a_100000700776_100009991533 [0,2,0,0,0,0|1,0,0]=3 6033 B13R0.2 C=CCCCNCCCC(=O)OCC 34a_100000700776_100009991533 [0,2,0,0,0,0|1,0,0]=3 6034 B13R0.2 C=CCCCOCCCC(=O)OCC 34a_100000758997_100009991533 [0,2,0,0,0,0|1,0,0]=3 6035 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100000758997_100011215271 [0,2,0,0,0,0|1,0,0]=3 6036 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100012001163_100000757094 [0,2,0,0,0,0|1,0,0]=3 6037 B13R0.2 C=CCCCOCCNC(=O)OCC 34a_100000158857_100000757094 [0,2,0,0,0,0|2,0,0]=4 6038 B13R0.2 C=CCCCOCCNC(=O)OCC 7a_100000758997_200011445536 [0,2,0,0,0,0|2,0,0]=4 6039 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100009991533_100000757094 [0,2,0,0,0,0|1,0,0]=3 6040 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100011713584_100009991533 [0,2,0,0,0,0|1,0,0]=3 6041 B13R0.2 C=CCCCSCCNC(=O)OCC 62a_100011713584_200011445536 [0,2,0,0,0,0|2,0,0]=4 6042 B13R0.2 C=CCCNCCCCC(=O)OCC 2230a_100015191253_100000750268 [0,2,0,0,0,0|1,0,0]=3 6043 B13R0.2 C=CCCNCCOCC(=O)OCC 2230a_100015191253_100000088970 [0,2,0,0,0,0|2,0,0]=4 6044 B13R0.2 C=CCCOCCCCC(=O)OCC 34a_100011205117_100000750268 [0,2,0,0,0,0|1,0,0]=3 6045 B13R0.2 C=CCCOCCOCC(=O)OCC 34a_100011205117_100000088970 [0,2,0,0,0,0|2,0,0]=4 6046 B13R0.2 C=CCCOCCSCC(=O)OCC 7a_200000230590_100000754431 [0,2,0,0,0,0|2,0,0]=4 6047 B13R0.2 C=CCCSCCCCC(=O)OCC 62a_100000750268_100000754431 [0,2,0,0,0,0|1,0,0]=3 6048 B13R0.2 C=CCCSCCCCC(=O)OCC 62a_100000754431_100000750268 [0,2,0,0,0,0|1,0,0]=3 6049 B13R0.2 C=CCCSCCOCC(=O)OCC 62a_100000088970_100000754431 [0,2,0,0,0,0|2,0,0]=4 6050 B13R0.2 C=CCCSCCOCC(=O)OCC 62a_100000754431_100000088970 [0,2,0,0,0,0|2,0,0]=4 6051 B13R0.2 C=CCNCCCCCC(=O)OCC 2230a_100020586998_100000755133 [0,2,0,0,0,0|1,0,0]=3 6052 B13R0.2 C=CCNCCCOCC(=O)OCC 2230a_100020586998_100009893628 [0,2,0,0,0,0|2,0,0]=4 6053 B13R0.2 C=CCOCCCCCC(=O)OCC 34a_200000210373_100000755133 [0,2,0,0,0,0|1,0,0]=3 6054 B13R0.2 C=CCOCCCCCC(=O)OCC 7a_100011214988_100015514636 [0,2,0,0,0,0|1,0,0]=3 6055 B13R0.2 C=CCOCCCOCC(=O)OCC 34a_200000210373_100009893628 [0,2,0,0,0,0|2,0,0]=4 6056 B13R0.2 C=CCOCCOCCC(=O)OCC 34a_100000037705_100000765890 [0,2,0,0,0,0|2,0,0]=4 6057 B13R0.2 C=CCOCCOCCC(=O)OCC 7a_100000037705_100011206558 [0,2,0,0,0,0|2,0,0]=4 6058 B13R0.2 C=CCSCCCCCC(=O)OCC 62a_100000210623_100000755133 [0,2,0,0,0,0|1,0,0]=3 6059 B13R0.2 C=CCSCCCCCC(=O)OCC 62a_100000755133_100000210623 [0,2,0,0,0,0|1,0,0]=3 6060 B13R0.2 C=CCSCCCOCC(=O)OCC 62a_100000210623_100009893628 [0,2,0,0,0,0|2,0,0]=4 6061 B13R0.2 C=CCSCCCOCC(=O)OCC 62a_100009893628_100000210623 [0,2,0,0,0,0|2,0,0]=4 6062 B13R0.2 C=COC(=O)CSCCCCCC=O 62a_100000036128_100000139337 [0,2,0,0,0,0|2,0,0]=4 6063 B13R0.2 C=COC(=O)CSCCCCCC=O 62a_100000139337_100000036128 [0,2,0,0,0,0|2,0,0]=4 6064 B13R0.2 C=COCCCCOCC(=O)NCO 34a_100000031558_100000185155 [0,2,0,0,0,0|2,0,0]=4 6065 B13R0.2 C=COCCCCOCC(=O)NCO 7a_100000031558_100000185155 [0,2,0,0,0,0|2,0,0]=4 6066 B13R0.2 C=COCCCCOCC(=O)OC=C 34a_100000031558_100000036128 [0,2,0,0,0,0|2,0,0]=4 6067 B13R0.2 C=COCCCCOCC(=O)OCC 34a_100000031558_100000188475 [0,2,0,0,0,0|2,0,0]=4 6068 B13R0.2 C=COCCCCOCC(=O)OCC 7a_100000031558_100000188475 [0,2,0,0,0,0|2,0,0]=4 6069 B13R0.2 C=COCCCNCCC(=O)OCC 2230a_100000210767_100011206558 [0,2,0,0,0,0|2,0,0]=4 6070 B13R0.2 C=COCCCNCCC(=O)OCC 34a_100000210767_100000765890 [0,2,0,0,0,0|2,0,0]=4 6071 B13R0.2 C=COCCOCCCC(=O)OCC 34a_100000033082_100009991533 [0,2,0,0,0,0|2,0,0]=4 6072 B13R0.2 C=COCCOCCCC(=O)OCC 7a_100012001163_100000039644 [0,2,0,0,0,0|2,0,0]=4 6073 B13R0.2 C=COCCSCCCC(=O)OCC 62a_100000039644_100009991533 [0,2,0,0,0,0|2,0,0]=4 6074 B13R0.2 C=COCCSCCCC(=O)OCC 62a_100009991533_100000039644 [0,2,0,0,0,0|2,0,0]=4 6075 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|0,0,2]=4 6076 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|0,0,2]=4 6077 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|0,0,2]=4 6078 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,2,0,0,0,0|1,0,1]=4 6079 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,2,0,0,0,0|1,0,1]=4 6080 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,2,0,0,0,0|1,0,1]=4 6081 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,2,0,0,0,0|1,0,1]=4 6082 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,2,0,0,0,0|1,0,1]=4 6083 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,2,0,0,0,0|1,0,1]=4 6084 B13R0.2 CCOC(=O)CCCCCOCC=O 7a_100011214988_200015260668 [0,2,0,0,0,0|2,0,0]=4 6085 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_100000755133_200015260668 [0,2,0,0,0,0|2,0,0]=4 6086 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_200015260668_100000755133 [0,2,0,0,0,0|2,0,0]=4 6087 B13R0.2 CCOC(=O)CCCOCCCC=O 7a_100012001163_200011292268 [0,2,0,0,0,0|2,0,0]=4 6088 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_100009991533_200011292268 [0,2,0,0,0,0|2,0,0]=4 6089 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_200011292268_100009991533 [0,2,0,0,0,0|2,0,0]=4 6090 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000139335_100000765890 [0,2,0,0,0,0|2,0,0]=4 6091 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000765890_100000139335 [0,2,0,0,0,0|2,0,0]=4 6092 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000139337_100000188475 [0,2,0,0,0,0|2,0,0]=4 6093 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000188475_100000139337 [0,2,0,0,0,0|2,0,0]=4 6094 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,2,0,0,0,0|1,0,1]=4 6095 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,2,0,0,0,0|1,0,1]=4 6096 B13R0.2 O=CCCCCCSCC(=O)NCO 62a_100000139337_100000185155 [0,2,0,0,0,0|2,0,0]=4 6097 B13R0.2 O=CCCCCCSCC(=O)NCO 62a_100000185155_100000139337 [0,2,0,0,0,0|2,0,0]=4 6098 B13R0.87 C=CCC(=O)CCCCCC(=O)OC 1458a_100000210193_100009816466 [0,2,0,0,0,0|0,0,1]=3 6099 B13R0.87 C=CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210623 [0,2,0,0,0,0|0,0,1]=3 6100 B13R0.87 C=CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210193 [0,2,0,0,0,0|1,0,1]=4 6101 B13R0.87 C=CCC(C)COCCCC(=O)NC 34a_100009832082_100000741757 [0,2,0,0,0,0|2,0,0]=4 6102 B13R0.87 C=CCC(C)COCCCC(=O)NC 7a_100009832082_100000741757 [0,2,0,0,0,0|2,0,0]=4 6103 B13R0.87 C=CCC(C)COCCCC(=O)OC 34a_100009832082_100000742333 [0,2,0,0,0,0|1,0,0]=3 6104 B13R0.87 C=CCC(C)COCCCC(=O)OC 7a_100009832082_100011218270 [0,2,0,0,0,0|1,0,0]=3 6105 B13R0.87 C=CCN(C)CCCCCC(=O)OC 2230a_100000225617_100009816466 [0,2,0,0,0,0|1,0,0]=3 6106 B13R0.87 C=CCN(C)CCCCCC(=O)OC 269982a_100000225617_100009816466 [0,2,0,0,0,0|1,0,0]=3 6107 B13R0.87 C=CC[C@@H](C)OCCCCC(=O)OC 34a_100000731007_100000204269 [0,2,0,0,0,0|1,0,0]=3 6108 B13R0.87 C=CC[C@@H](C)OCCCCC(=O)OC 7a_100000731007_100000204269 [0,2,0,0,0,0|1,0,0]=3 6109 B13R0.87 C=CC[C@@H](C)OCCOCC(=O)OC 34a_100000731007_100000090808 [0,2,0,0,0,0|2,0,0]=4 6110 B13R0.87 C=CC[C@@H](C)OCCOCC(=O)OC 7a_100000731007_100000090808 [0,2,0,0,0,0|2,0,0]=4 6111 B13R0.87 C=CC[C@@H](N)COCCCC(=O)NC 34a_100020615467_100000741757 [0,2,0,0,0,0|2,0,0]=4 6112 B13R0.87 C=CC[C@@H](N)COCCCC(=O)OC 34a_100020615467_100000742333 [0,2,0,0,0,0|1,0,0]=3 6113 B13R0.340 C=CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100011215473 [0,2,0,0,0,0|1,0,1]=4 6114 B13R0.340 C=CCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000700193 [0,2,0,0,0,0|2,0,0]=4 6115 B13R0.340 C=CCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000700193 [0,2,0,0,0,0|2,0,0]=4 6116 B13R0.340 C=CCCCCCOC(C)C(=O)CC 7a_100011216702_100000742827 [0,2,0,0,0,0|2,0,0]=4 6117 B13R0.340 C=CCCCCCOC(C)C(=O)NC 34a_100011216702_100000731044 [0,2,0,0,0,0|2,0,0]=4 6118 B13R0.340 C=CCCCCCOC(C)C(=O)NC 7a_100011216702_100000209862 [0,2,0,0,0,0|2,0,0]=4 6119 B13R0.340 C=CCCCCCOC(C)C(=O)NN 34a_100000725659_100000700193 [0,2,0,0,0,0|2,0,0]=4 6120 B13R0.340 C=CCCCCCOC(C)C(=O)OC 34a_100011215400_100000700193 [0,2,0,0,0,0|1,0,0]=3 6121 B13R0.340 C=CCCCCCOC(C)C(=O)OC 34a_100011216702_100000211248 [0,2,0,0,0,0|1,0,0]=3 6122 B13R0.340 C=CCCCCCOC(C)C(=O)OC 7a_100011216702_100000211248 [0,2,0,0,0,0|1,0,0]=3 6123 B13R0.340 C=CCCCCCOC(F)C(=O)NC 34a_100011216702_100009813575 [0,2,0,0,0,0|2,0,0]=4 6124 B13R0.340 C=CCCCCCOC(F)C(=O)NC 7a_100011216702_100009813575 [0,2,0,0,0,0|2,0,0]=4 6125 B13R0.340 C=CCCCCCSC(C)C(=O)CC 62a_100000700193_100000742827 [0,2,0,0,0,0|2,0,0]=4 6126 B13R0.340 C=CCCCCCSC(C)C(=O)CC 62a_100000742827_100000700193 [0,2,0,0,0,0|2,0,0]=4 6127 B13R0.340 C=CCCCCCSC(C)C(=O)NC 62a_100000209862_100000700193 [0,2,0,0,0,0|2,0,0]=4 6128 B13R0.340 C=CCCCCCSC(C)C(=O)NC 62a_100000700193_100000731044 [0,2,0,0,0,0|2,0,0]=4 6129 B13R0.340 C=CCCCCCSC(C)C(=O)OC 62a_100000211248_100000700193 [0,2,0,0,0,0|1,0,0]=3 6130 B13R0.340 C=CCCCCCSC(C)C(=O)OC 62a_100000700193_100000211248 [0,2,0,0,0,0|1,0,0]=3 6131 B13R0.340 C=CCCCCCSC(F)C(=O)NC 62a_100000700193_100009813575 [0,2,0,0,0,0|2,0,0]=4 6132 B13R0.340 C=CCCCCCSC(F)C(=O)NC 62a_100009813575_100000700193 [0,2,0,0,0,0|2,0,0]=4 6133 B13R0.340 C=CCCCCNCC(=C)C(=O)OC 34a_100000703577_100009813391 [0,2,0,0,0,0|1,0,1]=4 6134 B13R0.340 C=CCCCCNCC(=O)C(=O)OC 34a_100000703577_100011610305 [0,2,0,0,0,0|1,0,1]=4 6135 B13R0.340 C=CCCCCNCC(C)C(=O)NC 2230a_100015187722_100011215482 [0,2,0,0,0,0|2,0,0]=4 6136 B13R0.340 C=CCCCCNCC(C)C(=O)NC 34a_100015187722_100011215482 [0,2,0,0,0,0|2,0,0]=4 6137 B13R0.340 C=CCCCCNCC(C)C(=O)OC 34a_100000703577_100000698445 [0,2,0,0,0,0|1,0,0]=3 6138 B13R0.340 C=CCCCCOCC(=C)C(=O)OC 34a_100000766645_100009813391 [0,2,0,0,0,0|1,0,1]=4 6139 B13R0.340 C=CCCCCOCC(=O)C(=O)OC 34a_100000766645_100011610305 [0,2,0,0,0,0|1,0,1]=4 6140 B13R0.340 C=CCCCCOCC(C)C(=O)OC 34a_100000749362_100011215482 [0,2,0,0,0,0|1,0,0]=3 6141 B13R0.340 C=CCCCCOCC(C)C(=O)OC 34a_100000766645_100000698445 [0,2,0,0,0,0|1,0,0]=3 6142 B13R0.340 C=CCCCCOCC(C)C(=O)OC 7a_100000749362_100011215482 [0,2,0,0,0,0|1,0,0]=3 6143 B13R0.340 C=CCCCCOCC(F)C(=O)OC 34a_200009849844_100011215482 [0,2,0,0,0,0|1,0,0]=3 6144 B13R0.340 C=CCCCCOCC(N)C(=O)NN 34a_100016989258_100011215482 [0,2,0,0,0,0|2,0,0]=4 6145 B13R0.340 C=CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011215482 [0,2,0,0,0,0|1,0,0]=3 6146 B13R0.340 C=CCCCCSCC(=C)C(=O)OC 62a_100009813391_100011215482 [0,2,0,0,0,0|1,0,1]=4 6147 B13R0.340 C=CCCCCSCC(=C)C(=O)OC 62a_100011215482_100009813391 [0,2,0,0,0,0|1,0,1]=4 6148 B13R0.340 C=CCCCCSCC(=O)C(=O)OC 62a_100011215482_100011610305 [0,2,0,0,0,0|1,0,1]=4 6149 B13R0.340 C=CCCCCSCC(=O)C(=O)OC 62a_100011610305_100011215482 [0,2,0,0,0,0|1,0,1]=4 6150 B13R0.340 C=CCCCCSCC(C)C(=O)OC 62a_100000698445_100011215482 [0,2,0,0,0,0|1,0,0]=3 6151 B13R0.340 C=CCCCCSCC(C)C(=O)OC 62a_100011215482_100000698445 [0,2,0,0,0,0|1,0,0]=3 6152 B13R0.340 C=CCCCNCCC(C)C(=O)OC 2230a_100000700776_100000034942 [0,2,0,0,0,0|1,0,0]=3 6153 B13R0.340 C=CCCCNCCC(C)C(=O)OC 34a_100000700776_100000034942 [0,2,0,0,0,0|1,0,0]=3 6154 B13R0.340 C=CCCCOCCC(C)C(=O)OC 34a_100000758997_100000034942 [0,2,0,0,0,0|1,0,0]=3 6155 B13R0.340 C=CCCCOCCC(C)C(=O)OC 7a_100000758997_100000034942 [0,2,0,0,0,0|1,0,0]=3 6156 B13R0.340 C=CCCCSCCC(C)C(=O)OC 62a_100000034942_100000757094 [0,2,0,0,0,0|1,0,0]=3 6157 B13R0.340 C=CCCCSCCC(C)C(=O)OC 62a_100011713584_100000034942 [0,2,0,0,0,0|1,0,0]=3 6158 B13R0.340 C=CCOCCOCC(C)C(=O)OC 34a_100000037705_100000698445 [0,2,0,0,0,0|2,0,0]=4 6159 B13R0.340 C=COCCCCOC(C)C(=O)OC 34a_100000031558_100000211248 [0,2,0,0,0,0|2,0,0]=4 6160 B13R0.340 C=COCCCCOC(C)C(=O)OC 7a_100000031558_100000211248 [0,2,0,0,0,0|2,0,0]=4 6161 B13R0.340 C=COCCCNCC(C)C(=O)OC 34a_100000210767_100000698445 [0,2,0,0,0,0|2,0,0]=4 6162 B13R0.340 C=COCCOCCC(C)C(=O)OC 34a_100000033082_100000034942 [0,2,0,0,0,0|2,0,0]=4 6163 B13R0.340 C=COCCSCCC(C)C(=O)OC 62a_100000034942_100000039644 [0,2,0,0,0,0|2,0,0]=4 6164 B13R0.340 C=COCCSCCC(C)C(=O)OC 62a_100000039644_100000034942 [0,2,0,0,0,0|2,0,0]=4 6165 B13R0.340 COC(=O)C(C)CCSCCCC=O 62a_100000034942_200011292268 [0,2,0,0,0,0|2,0,0]=4 6166 B13R0.340 COC(=O)C(C)CCSCCCC=O 62a_200011292268_100000034942 [0,2,0,0,0,0|2,0,0]=4 6167 B13R0.340 COC(=O)C(C)COCCCCC=O 7a_100000749362_100000139335 [0,2,0,0,0,0|2,0,0]=4 6168 B13R0.340 COC(=O)C(C)CSCCCCC=O 62a_100000139335_100000698445 [0,2,0,0,0,0|2,0,0]=4 6169 B13R0.340 COC(=O)C(C)CSCCCCC=O 62a_100000698445_100000139335 [0,2,0,0,0,0|2,0,0]=4 6170 B13R0.340 COC(=O)C(C)SCCCCCC=O 62a_100000139337_100000211248 [0,2,0,0,0,0|2,0,0]=4 6171 B13R0.340 COC(=O)C(C)SCCCCCC=O 62a_100000211248_100000139337 [0,2,0,0,0,0|2,0,0]=4 6172 B13R0.1170 C=CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100011215482 [0,2,0,0,0,0|1,0,1]=4 6173 B13R0.1170 C=CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100011215482 [0,2,0,0,0,0|0,0,1]=3 6174 B13R0.1170 C=CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100011215482 [0,2,0,0,0,0|1,0,1]=4 6175 B13R0.1170 C=CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100011215552 [0,2,0,0,0,0|1,0,1]=4 6176 B13R0.1170 C=CCCCCN(C)CCC(=O)NC 2230a_100000750875_100011215482 [0,2,0,0,0,0|2,0,0]=4 6177 B13R0.1170 C=CCCCCN(C)CCC(=O)NC 2230a_100012000471_100000737683 [0,2,0,0,0,0|2,0,0]=4 6178 B13R0.1170 C=CCCCCN(C)CCC(=O)NC 269982a_100000750875_100011215482 [0,2,0,0,0,0|2,0,0]=4 6179 B13R0.1170 C=CCCCCN(C)CCC(=O)NC 269982a_100012000471_100000737683 [0,2,0,0,0,0|2,0,0]=4 6180 B13R0.1170 C=CCCCCN(C)CCC(=O)OC 2230a_100012000471_100000204255 [0,2,0,0,0,0|1,0,0]=3 6181 B13R0.1170 C=CCCCCN(C)CCC(=O)OC 269982a_100012000471_100000204255 [0,2,0,0,0,0|1,0,0]=3 6182 B13R0.1170 C=CCCCCN(C)CCC(=O)OC 269982a_100025711912_100011215482 [0,2,0,0,0,0|1,0,0]=3 6183 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 11a_100000700776_100000187943 [0,2,0,0,0,0|1,0,1]=4 6184 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 1626a_100000700776_100000187943 [0,2,0,0,0,0|1,0,1]=4 6185 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 240690a_100000700776_100000187943 [0,2,0,0,0,0|1,0,1]=4 6186 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 527a_100000700776_100000187943 [0,2,0,0,0,0|1,0,1]=4 6187 B13R0.1170 C=CCCNCC(=O)CCC(=O)OC 2230a_100015191253_100000691467 [0,2,0,0,0,0|1,0,1]=4 6188 B13R0.1170 C=CCCOCC(=O)CCC(=O)OC 34a_100011205117_100000691467 [0,2,0,0,0,0|1,0,1]=4 6189 B13R0.1170 C=CCCSCC(=O)CCC(=O)OC 62a_100000691467_100000754431 [0,2,0,0,0,0|1,0,1]=4 6190 B13R0.1170 C=CCCSCC(=O)CCC(=O)OC 62a_100000754431_100000691467 [0,2,0,0,0,0|1,0,1]=4 6191 B13R0.1170 COC(=O)CCN(C)CCCCC=O 269982a_100025711912_100000139335 [0,2,0,0,0,0|2,0,0]=4 6192 B13R0.61 C=CCCCCCNC(C#N)C(=O)N 2230a_100000039599_100000700193 [0,2,0,0,0,0|2,0,0]=4 6193 B13R0.61 C=CCCCCCNC(CC)C(=O)N 2230a_100000733705_100000700193 [0,2,0,0,0,0|2,0,0]=4 6194 B13R0.61 C=CCCCCCNC(CC)C(=O)N 34a_100000733705_100000700193 [0,2,0,0,0,0|2,0,0]=4 6195 B13R0.61 C=CCCCCCNC(CO)C(=O)O 269956a_100000187304_100000700193 [0,2,0,0,0,0|1,0,0]=3 6196 B13R0.61 C=CCCCCCN[C@@H](C=C)C(=O)O 269956a_100016992060_100000700193 [0,2,0,0,0,0|1,0,0]=3 6197 B13R0.61 C=CCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000700193 [0,2,0,0,0,0|2,0,0]=4 6198 B13R0.61 C=CCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000700193 [0,2,0,0,0,0|2,0,0]=4 6199 B13R0.61 C=CCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000700193 [0,2,0,0,0,0|1,0,0]=3 6200 B13R0.61 C=CCCCCCOC(CC)C(=O)N 34a_100011216702_100000750255 [0,2,0,0,0,0|2,0,0]=4 6201 B13R0.61 C=CCCCCCOC(CC)C(=O)N 7a_100011216702_100000750255 [0,2,0,0,0,0|2,0,0]=4 6202 B13R0.61 C=CCCCCCSC(CC)C(=O)N 62a_100000700193_100000750255 [0,2,0,0,0,0|2,0,0]=4 6203 B13R0.61 C=CCCCCCSC(CC)C(=O)N 62a_100000750255_100000700193 [0,2,0,0,0,0|2,0,0]=4 6204 B13R0.61 C=C[C@H](NCCCCCC=O)C(=O)O 269956a_100016992060_100000139337 [0,2,0,0,0,0|2,0,0]=4 6205 B13R0.61 CC[C@@H](NCCCCCC=O)C(=O)O 269956a_100000747097_100000139337 [0,2,0,0,0,0|2,0,0]=4 6206 B13R0.61 O=CCCCCCNC(CO)C(=O)O 269956a_100000187304_100000139337 [0,2,0,0,0,0|2,0,0]=4 6207 B13R0.413 C=CCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100000700193 [0,2,0,0,0,0|2,0,0]=4 6208 B13R0.413 C=CCCCCCNC(C)(C)C(=O)N 34a_100000743658_100000700193 [0,2,0,0,0,0|2,0,0]=4 6209 B13R0.413 C=CCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000700193 [0,2,0,0,0,0|2,0,0]=4 6210 B13R0.413 C=CCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000700193 [0,2,0,0,0,0|2,0,0]=4 6211 B13R0.413 C=CCCCCCOC(C)(C)C(=O)C 7a_100011216702_100000075568 [0,2,0,0,0,0|2,0,0]=4 6212 B13R0.413 C=CCCCCCOC(C)(C)C(=O)N 34a_100011216702_100000702505 [0,2,0,0,0,0|2,0,0]=4 6213 B13R0.413 C=CCCCCCOC(C)(C)C(=O)N 34a_100011626353_100000700193 [0,2,0,0,0,0|2,0,0]=4 6214 B13R0.413 C=CCCCCCOC(C)(C)C(=O)N 7a_100011216702_100000702505 [0,2,0,0,0,0|2,0,0]=4 6215 B13R0.413 C=CCCCCCOC(C)(C)C(=O)N 7a_100011626353_100000700193 [0,2,0,0,0,0|2,0,0]=4 6216 B13R0.413 C=CCCCCCOC(F)(F)C(=O)N 7a_100011216702_100009811971 [0,2,0,0,0,0|2,0,0]=4 6217 B13R0.413 C=CCCCCCOC(F)(F)C(=O)[O-] 34a_100011216702_100020612412 [0,2,0,0,0,0|1,0,1]=4 6218 B13R0.413 C=CCCCCCSC(C)(C)C(=O)C 62a_100000075568_100000700193 [0,2,0,0,0,0|2,0,0]=4 6219 B13R0.413 C=CCCCCCSC(C)(C)C(=O)C 62a_100000700193_100000075568 [0,2,0,0,0,0|2,0,0]=4 6220 B13R0.413 C=CCCCCCSC(C)(C)C(=O)N 62a_100000700193_100000702505 [0,2,0,0,0,0|2,0,0]=4 6221 B13R0.413 C=CCCCCCSC(C)(C)C(=O)N 62a_100000702505_100000700193 [0,2,0,0,0,0|2,0,0]=4 6222 B13R0.413 C=CCCCCCSC(F)(F)C(=O)N 62a_100000700193_100009811971 [0,2,0,0,0,0|2,0,0]=4 6223 B13R0.413 C=CCCCCCSC(F)(F)C(=O)N 62a_100009811971_100000700193 [0,2,0,0,0,0|2,0,0]=4 6224 B13R0.413 C=CCCCCCSC(F)(F)C(=O)[O-] 62a_100000700193_100000745680 [0,2,0,0,0,0|1,0,1]=4 6225 B13R0.413 C=CCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000700193 [0,2,0,0,0,0|1,0,1]=4 6226 B13R0.413 C=CCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100011215482 [0,2,0,0,0,0|2,0,0]=4 6227 B13R0.413 C=CCCCCNCC(C)(C)C(=O)N 34a_100000703577_200009895572 [0,2,0,0,0,0|2,0,0]=4 6228 B13R0.413 C=CCCCCNCC(C)(C)C(=O)N 34a_100000740840_100011215482 [0,2,0,0,0,0|2,0,0]=4 6229 B13R0.413 C=CCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100011215482 [0,2,0,0,0,0|1,0,0]=3 6230 B13R0.413 C=CCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100011215482 [0,2,0,0,0,0|1,0,0]=3 6231 B13R0.413 C=CCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100011215482 [0,2,0,0,0,0|2,0,0]=4 6232 B13R0.413 C=CCCCCOCC(C)(C)C(=O)N 34a_100000766645_200009895572 [0,2,0,0,0,0|2,0,0]=4 6233 B13R0.413 C=CCCCCSCC(C)(C)C(=O)N 62a_100011215482_200009895572 [0,2,0,0,0,0|2,0,0]=4 6234 B13R0.413 C=CCCCCSCC(C)(C)C(=O)N 62a_200009895572_100011215482 [0,2,0,0,0,0|2,0,0]=4 6235 B13R0.413 CC(C)(CNCCCCC=O)C(=O)O 269956a_100000693527_100000139335 [0,2,0,0,0,0|2,0,0]=4 6236 B13R0.413 O=CCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000139335 [0,2,0,0,0,0|2,0,0]=4 6237 B13R0.285 C=CCCCCN(CC)CCC(=O)N 2230a_100020645749_100011215482 [0,2,0,0,0,0|2,0,0]=4 6238 B13R0.231 C=CCC(C)(C)OCCCCC(=O)C 7a_100011995686_100000735457 [0,2,0,0,0,0|2,0,0]=4 6239 B13R0.313 C=CCC(C=C)OCCCCC(=O)C 34a_100000038011_100009817362 [0,2,0,0,0,0|2,0,0]=4 6240 B13R0.313 C=CCC(C=C)OCCCCC(=O)C 7a_100000038011_100000735457 [0,2,0,0,0,0|2,0,0]=4 6241 B11R1.24 C=CCOC1CCCC(=O)C1 34a_100012613340_100015514636 [1,0,0,1,0,0|2,0,0]=4 6242 B11R1.27 C=CCCOC1CCC(=O)C1 34a_100012614533_100000754431 [1,0,0,1,0,0|2,0,0]=4 6243 B11R1.27 C=CCCOC1COC(=O)O1 34a_100011205117_100000032252 [1,0,0,1,0,0|2,0,0]=4 6244 B11R1.27 C=CCCSC1COC(=O)O1 62a_100000754431_100000032252 [1,0,0,1,0,0|2,0,0]=4 6245 B11R1.27 C=CCNCC1CNC(=O)O1 2230a_100020586998_100000181169 [1,0,0,1,0,0|2,0,0]=4 6246 B11R1.27 C=CCNC[C@@H]1CCC(=O)N1 2230a_100020586998_100015189358 [1,0,0,1,0,0|2,0,0]=4 6247 B11R1.27 C=CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210623 [1,0,0,1,0,0|2,0,0]=4 6248 B11R1.27 C=CCNC[C@H]1CCC(=O)N1 34a_100015423886_100015514636 [1,0,0,1,0,0|2,0,0]=4 6249 B11R1.27 C=CCOCC1CCC(=O)N1 34a_100000737831_100015514636 [1,0,0,1,0,0|2,0,0]=4 6250 B11R1.27 C=CCOCC1CNC(=O)O1 34a_100011315639_100015514636 [1,0,0,1,0,0|2,0,0]=4 6251 B11R1.27 C=CCOCC1CNC(=O)O1 34a_200000210373_100000181169 [1,0,0,1,0,0|2,0,0]=4 6252 B11R1.27 C=CCOCC1COC(=O)O1 34a_200000210373_100000073702 [1,0,0,1,0,0|2,0,0]=4 6253 B11R1.27 C=CCSCC1CNC(=O)O1 62a_100000181169_100000210623 [1,0,0,1,0,0|2,0,0]=4 6254 B11R1.27 C=CCSCC1CNC(=O)O1 62a_100000210623_100000181169 [1,0,0,1,0,0|2,0,0]=4 6255 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000073702_100000210623 [1,0,0,1,0,0|2,0,0]=4 6256 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000210623_100000073702 [1,0,0,1,0,0|2,0,0]=4 6257 B11R1.27 C=CCSC[C@@H]1CCC(=O)N1 62a_100000210623_100015189358 [1,0,0,1,0,0|2,0,0]=4 6258 B11R1.27 C=CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210623 [1,0,0,1,0,0|2,0,0]=4 6259 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [1,0,0,1,0,0|1,0,1]=4 6260 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [1,0,0,1,0,0|1,0,1]=4 6261 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [1,0,0,1,0,0|2,0,0]=4 6262 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [1,0,0,1,0,0|1,0,1]=4 6263 B11R1.78 C=CCCCSC1CC(=O)C1 62a_100009894365_100000757094 [1,0,0,1,0,0|2,0,0]=4 6264 B11R1.78 C=CCCNCC1CC(=O)C1 2230a_100015191253_100009874392 [1,0,0,1,0,0|2,0,0]=4 6265 B11R1.78 C=CCCOCC1CC(=O)C1 34a_100000101936_100000754431 [1,0,0,1,0,0|2,0,0]=4 6266 B11R1.78 C=CCCSCC1CC(=O)C1 62a_100000754431_100009874392 [1,0,0,1,0,0|2,0,0]=4 6267 B11R1.78 C=CCCSCC1CC(=O)C1 62a_100009874392_100000754431 [1,0,0,1,0,0|2,0,0]=4 6268 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [1,0,0,1,0,0|2,0,0]=4 6269 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [1,0,0,1,0,0|2,0,0]=4 6270 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,1,0,0|1,0,1]=4 6271 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,1,0,0|1,0,1]=4 6272 B11R1.91 NC(=O)CNC1C=CCCC1 2230a_100000711301_100000751183 [1,0,0,1,0,0|2,0,0]=4 6273 B11R1.91 NC(=O)COC1C=CCCC1 34a_100011215024_100000187820 [1,0,0,1,0,0|2,0,0]=4 6274 B11R1.91 NC(=O)CSC1C=CCCC1 62a_100000747473_100000751183 [1,0,0,1,0,0|2,0,0]=4 6275 B11R1.91 NC(=O)CSC1C=CCCC1 62a_100000751183_100000747473 [1,0,0,1,0,0|2,0,0]=4 6276 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [1,0,0,1,0,0|1,0,0]=3 6277 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,1,0,0|1,0,1]=4 6278 B11R1.91 O=C([O-])COC1C=CCCC1 34a_100011215024_100020667443 [1,0,0,1,0,0|1,0,1]=4 6279 B11R1.91 O=C([O-])CSC1C=CCCC1 62a_100000751183_100020667443 [1,0,0,1,0,0|1,0,1]=4 6280 B11R1.91 O=C([O-])CSC1C=CCCC1 62a_100020667443_100000751183 [1,0,0,1,0,0|1,0,1]=4 6281 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,1,0,0|1,0,1]=4 6282 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [1,0,0,1,0,0|2,0,0]=4 6283 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [1,0,0,1,0,0|1,0,1]=4 6284 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [1,0,0,1,0,0|1,0,1]=4 6285 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [1,0,0,1,0,0|1,0,1]=4 6286 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [1,0,0,1,0,0|1,0,1]=4 6287 B11R1.172 O=C(O)CNCC1CCCO1 269956a_100016091260_100000183445 [1,0,0,1,0,0|2,0,0]=4 6288 B11R1.176 O=C(O)CNCCCC1CO1 269956a_100016091260_100000733510 [1,0,0,1,0,0|2,0,0]=4 6289 B11R1.193 C=CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210623 [1,0,0,1,0,0|2,0,0]=4 6290 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210623 [1,0,0,1,0,0|1,0,0]=3 6291 B11R1.193 C=CCN1CCSC1C(=O)O 269956a_100000035718_100000210623 [1,0,0,1,0,0|2,0,0]=4 6292 B11R1.193 C=CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210623 [1,0,0,1,0,0|2,0,0]=4 6293 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [1,0,0,1,0,0|1,0,1]=4 6294 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [1,0,0,1,0,0|2,0,0]=4 6295 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [1,0,0,1,0,0|2,0,0]=4 6296 B11R1.193 O=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_200015260668 [1,0,0,1,0,0|2,0,0]=4 6297 B11R1.204 C=CCCN1CCC1C(=O)O 269956a_100000021838_100000754431 [1,0,0,1,0,0|1,0,0]=3 6298 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [1,0,0,1,0,0|1,0,1]=4 6299 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [1,0,0,1,0,0|2,0,0]=4 6300 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [1,0,0,1,0,0|2,0,0]=4 6301 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [1,0,0,1,0,0|1,0,1]=4 6302 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [1,0,0,1,0,0|1,0,1]=4 6303 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [1,0,0,1,0,0|1,0,1]=4 6304 B11R1.4 C=CCCCOC1CCCO1 34a_100000085407_100000757094 [1,0,0,1,0,0|1,0,1]=4 6305 B11R1.4 C=CCCNCC1CCCO1 2230a_100015191253_100000203698 [1,0,0,1,0,0|1,0,1]=4 6306 B11R1.4 C=CCCNC[C@@H]1CCCO1 2230a_100020590478_100000754431 [1,0,0,1,0,0|1,0,1]=4 6307 B11R1.4 C=CCCNC[C@@H]1CCCO1 34a_100020590478_100000754431 [1,0,0,1,0,0|1,0,1]=4 6308 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [1,0,0,1,0,0|1,0,1]=4 6309 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [1,0,0,1,0,0|1,0,1]=4 6310 B11R1.4 C=CCCSCC1CCCO1 62a_100000203698_100000754431 [1,0,0,1,0,0|1,0,1]=4 6311 B11R1.4 C=CCCSCC1CCCO1 62a_100000754431_100000203698 [1,0,0,1,0,0|1,0,1]=4 6312 B11R1.17 C=CCNC1CCCNC1=O 2230a_100000747585_100000210623 [1,0,0,1,0,0|2,0,0]=4 6313 B11R1.17 C=CCNC1CCCNC1=O 2230a_100020586998_100000687798 [1,0,0,1,0,0|2,0,0]=4 6314 B11R1.17 C=CCNC1CCCNC1=O 34a_100000747585_100015514636 [1,0,0,1,0,0|2,0,0]=4 6315 B11R1.17 C=CCOC1CCCCC1=O 34a_100011214950_100015514636 [1,0,0,1,0,0|1,0,0]=3 6316 B11R1.17 C=CCOC1CCCCC1=O 34a_200000210373_100000754470 [1,0,0,1,0,0|1,0,0]=3 6317 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [1,0,0,1,0,0|1,0,1]=4 6318 B11R1.17 C=CCOC1CCCNC1=O 34a_100000073722_100015514636 [1,0,0,1,0,0|2,0,0]=4 6319 B11R1.17 C=CCOC1CCCNC1=O 34a_200000210373_100000687798 [1,0,0,1,0,0|2,0,0]=4 6320 B11R1.17 C=CCOC1COCCC1=O 34a_200000210373_100012180262 [1,0,0,1,0,0|2,0,0]=4 6321 B11R1.17 C=CCSC1CCCCC1=O 62a_100000204591_100000210623 [1,0,0,1,0,0|1,0,0]=3 6322 B11R1.17 C=CCSC1CCCCC1=O 62a_100000210623_100000204591 [1,0,0,1,0,0|1,0,0]=3 6323 B11R1.17 C=CCSC1CCCCC1O 62a_100000038908_100000210623 [1,0,0,1,0,0|1,0,1]=4 6324 B11R1.17 C=CCSC1CCCCC1O 62a_100000210623_100000038908 [1,0,0,1,0,0|1,0,1]=4 6325 B11R1.17 C=CCSC1CCCNC1=O 62a_100000210623_100000687798 [1,0,0,1,0,0|2,0,0]=4 6326 B11R1.17 C=CCSC1CCCNC1=O 62a_100000687798_100000210623 [1,0,0,1,0,0|2,0,0]=4 6327 B11R1.17 C=CCSC1COCCC1=O 62a_100000210623_100012180262 [1,0,0,1,0,0|2,0,0]=4 6328 B11R1.17 C=CCSC1COCCC1=O 62a_100012180262_100000210623 [1,0,0,1,0,0|2,0,0]=4 6329 B11R1.17 O=CCOC1CCCCC1=O 34a_100011214950_200009817547 [1,0,0,1,0,0|2,0,0]=4 6330 B11R1.17 O=CCSC1CCCCC1=O 62a_100000204591_200015260668 [1,0,0,1,0,0|2,0,0]=4 6331 B11R1.17 O=CCSC1CCCCC1=O 62a_200015260668_100000204591 [1,0,0,1,0,0|2,0,0]=4 6332 B11R1.18 C=CCCN1CCC[C@@H]1CO 2230a_100000745186_100000754431 [1,0,0,1,0,0|1,0,1]=4 6333 B11R1.18 C=CCCN1CCC[C@@H]1CO 269982a_100000745186_100000754431 [1,0,0,1,0,0|1,0,1]=4 6334 B11R1.18 C=CCCN1CCC[C@@H]1CO 34a_100000745186_100000754431 [1,0,0,1,0,0|1,0,1]=4 6335 B11R1.28 C=CCCNC1C=CCCC1 2230a_100015191253_100000751183 [1,0,0,1,0,0|2,0,0]=4 6336 B11R1.28 C=CCCOC1C=CCCC1 34a_100011215024_100000754431 [1,0,0,1,0,0|2,0,0]=4 6337 B11R1.28 C=CCCOC1CCCCO1 34a_100000033831_100000754431 [1,0,0,1,0,0|1,0,1]=4 6338 B11R1.28 C=CCCSC1C=CCCC1 62a_100000751183_100000754431 [1,0,0,1,0,0|2,0,0]=4 6339 B11R1.28 C=CCCSC1C=CCCC1 62a_100000754431_100000751183 [1,0,0,1,0,0|2,0,0]=4 6340 B11R1.28 C=CCNCC1CCCCO1 2230a_100000174945_100000210623 [1,0,0,1,0,0|1,0,1]=4 6341 B11R1.28 C=CCNCC1CCCCO1 2230a_100020586998_100000211543 [1,0,0,1,0,0|1,0,1]=4 6342 B11R1.28 C=CCNCC1CCCCO1 34a_100000174945_100015514636 [1,0,0,1,0,0|1,0,1]=4 6343 B11R1.28 C=CCOCC1CCC=CO1 34a_100011217868_100015514636 [1,0,0,1,0,0|1,0,1]=4 6344 B11R1.28 C=CCOCC1CCCCO1 34a_100000211370_100015514636 [1,0,0,1,0,0|1,0,1]=4 6345 B11R1.28 C=CCOCC1CCCCO1 34a_200000210373_100000211543 [1,0,0,1,0,0|1,0,1]=4 6346 B11R1.28 C=CCOCC1CCCCO1 7a_100000211370_100015514636 [1,0,0,1,0,0|1,0,1]=4 6347 B11R1.28 C=CCSCC1CCCCO1 62a_100000210623_100000211543 [1,0,0,1,0,0|1,0,1]=4 6348 B11R1.28 C=CCSCC1CCCCO1 62a_100000211543_100000210623 [1,0,0,1,0,0|1,0,1]=4 6349 B11R1.28 OCCCOC1C=CCCC1 34a_100011215024_100000230001 [1,0,0,1,0,0|1,0,1]=4 6350 B11R1.28 OCCCSC1C=CCCC1 62a_100000751183_100011215043 [1,0,0,1,0,0|1,0,1]=4 6351 B11R1.28 OCCCSC1C=CCCC1 62a_100011215043_100000751183 [1,0,0,1,0,0|1,0,1]=4 6352 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [1,0,0,1,0,0|2,0,0]=4 6353 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [1,0,0,1,0,0|2,0,0]=4 6354 B11R1.41 C=CCN1CCCCC1CO 2230a_100000210821_100000210623 [1,0,0,1,0,0|1,0,1]=4 6355 B11R1.41 C=CCN1CCCCC1CO 269982a_100000210821_100000210623 [1,0,0,1,0,0|1,0,1]=4 6356 B11R1.41 C=CCN1CCCCC1CO 34a_100000210821_100015514636 [1,0,0,1,0,0|1,0,1]=4 6357 B11R1.47 C=CCCCNCC1CCO1 2230a_100000700776_100000103362 [1,0,0,1,0,0|1,0,1]=4 6358 B11R1.47 C=CCCCNCC1CCO1 34a_100000700776_100000103362 [1,0,0,1,0,0|1,0,1]=4 6359 B11R1.47 C=CCCCNC[C@@H]1CCO1 2230a_100020831831_100011713584 [1,0,0,1,0,0|1,0,1]=4 6360 B11R1.47 C=CCCCNC[C@@H]1CCO1 34a_100020831831_100000757094 [1,0,0,1,0,0|1,0,1]=4 6361 B11R1.47 C=CCCCOCC1CCO1 34a_100000039022_100000757094 [1,0,0,1,0,0|1,0,1]=4 6362 B11R1.47 C=CCCCOCC1CCO1 34a_100000758997_100000103362 [1,0,0,1,0,0|1,0,1]=4 6363 B11R1.47 C=CCCCOCC1CCO1 7a_100000758997_100000103362 [1,0,0,1,0,0|1,0,1]=4 6364 B11R1.47 C=CCCCSCC1CCO1 62a_100000103362_100000757094 [1,0,0,1,0,0|1,0,1]=4 6365 B11R1.47 C=CCCCSCC1CCO1 62a_100011713584_100000103362 [1,0,0,1,0,0|1,0,1]=4 6366 B11R1.180 C=CCCNC1CCCC1=O 2230a_100015191253_100000211823 [1,0,0,1,0,0|1,0,0]=3 6367 B11R1.180 C=CCCNC1CCNC1=O 2230a_100016995588_100000754431 [1,0,0,1,0,0|2,0,0]=4 6368 B11R1.180 C=CCCNC1CCNC1=O 34a_100016995588_100000754431 [1,0,0,1,0,0|2,0,0]=4 6369 B11R1.180 C=CCCNC1CCOC1=O 2230a_100015191253_100000211211 [1,0,0,1,0,0|2,0,0]=4 6370 B11R1.180 C=CCCOC1CCCC1=O 34a_100011205117_100000709159 [1,0,0,1,0,0|1,0,0]=3 6371 B11R1.180 C=CCCOC1CCCC1=O 34a_200000719330_100000754431 [1,0,0,1,0,0|1,0,0]=3 6372 B11R1.180 C=CCCOC1CCOC1=O 34a_100011205117_100000211211 [1,0,0,1,0,0|2,0,0]=4 6373 B11R1.180 C=CCCO[C@H]1CCNC1=O 34a_100000688343_100000754431 [1,0,0,1,0,0|2,0,0]=4 6374 B11R1.180 C=CCCSC1CCCC1=O 62a_100000211823_100000754431 [1,0,0,1,0,0|1,0,0]=3 6375 B11R1.180 C=CCCSC1CCCC1=O 62a_100000754431_100000211823 [1,0,0,1,0,0|1,0,0]=3 6376 B11R1.180 C=CCCSC1CCOC1=O 62a_100000211211_100000754431 [1,0,0,1,0,0|2,0,0]=4 6377 B11R1.180 C=CCCSC1CCOC1=O 62a_100000754431_100000211211 [1,0,0,1,0,0|2,0,0]=4 6378 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_100000754431_200016002552 [1,0,0,1,0,0|1,0,1]=4 6379 B11R1.180 C=CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000754431 [1,0,0,1,0,0|1,0,1]=4 6380 B11R1.180 C=CCOCC1CCNC1=O 34a_100000133458_100015514636 [1,0,0,1,0,0|2,0,0]=4 6381 B11R1.180 C=CCSCN1CCCC1=O 62a_100000026320_100000210623 [1,0,0,1,0,0|2,0,0]=4 6382 B11R1.180 C=CCSCN1CCCC1=O 62a_100000210623_100000026320 [1,0,0,1,0,0|2,0,0]=4 6383 B11R1.190 C=CCCCNC1CCC1=O 34a_100000700776_100009892977 [1,0,0,1,0,0|1,0,0]=3 6384 B11R1.190 C=CCCCOC1CCC1=O 34a_100000758997_100009892977 [1,0,0,1,0,0|1,0,0]=3 6385 B11R1.190 C=CCCCOC1CCC1=O 7a_100000758997_100009892977 [1,0,0,1,0,0|1,0,0]=3 6386 B11R1.190 C=CCCCSC1CCC1=O 62a_100009892977_100000757094 [1,0,0,1,0,0|1,0,0]=3 6387 B11R1.190 C=CCCCSC1CCC1=O 62a_100011713584_100009892977 [1,0,0,1,0,0|1,0,0]=3 6388 B11R1.190 C=CCNCCC1CCC1=O 2230a_100020586998_200016118888 [1,0,0,1,0,0|1,0,0]=3 6389 B11R1.190 C=CCSCCC1CCC1=O 62a_100000210623_200016118888 [1,0,0,1,0,0|1,0,0]=3 6390 B11R1.190 C=CCSCCC1CCC1=O 62a_200016118888_100000210623 [1,0,0,1,0,0|1,0,0]=3 6391 B11R1.190 C=COCCOC1CCC1=O 34a_100000033082_100009892977 [1,0,0,1,0,0|2,0,0]=4 6392 B11R1.190 C=COCCSC1CCC1=O 62a_100000039644_100009892977 [1,0,0,1,0,0|2,0,0]=4 6393 B11R1.190 C=COCCSC1CCC1=O 62a_100009892977_100000039644 [1,0,0,1,0,0|2,0,0]=4 6394 B11R1.190 O=CCCCSC1CCC1=O 62a_100009892977_200011292268 [1,0,0,1,0,0|2,0,0]=4 6395 B11R1.190 O=CCCCSC1CCC1=O 62a_200011292268_100009892977 [1,0,0,1,0,0|2,0,0]=4 6396 B11R1.190 O=CCSCCC1CCC1=O 62a_200015260668_200016118888 [1,0,0,1,0,0|2,0,0]=4 6397 B11R1.190 O=CCSCCC1CCC1=O 62a_200016118888_200015260668 [1,0,0,1,0,0|2,0,0]=4 6398 B13R1.27 C/C=C/CCOCC1CNC(=O)O1 34a_100016278192_100000181169 [0,1,0,1,0,0|2,0,0]=4 6399 B13R1.27 C/C=C/CCOCC1COC(=O)O1 34a_100016278192_100000073702 [0,1,0,1,0,0|2,0,0]=4 6400 B13R1.27 C=CCCCCCN1CCC(C1)O 2230a_100011215560_100000700193 [0,1,0,1,0,0|1,0,1]=4 6401 B13R1.27 C=CCCCCCN1CCC(C1)O 269982a_100011215560_100000700193 [0,1,0,1,0,0|1,0,1]=4 6402 B13R1.27 C=CCCCCCN1CNC(=O)C1 2230a_200000708111_100000700193 [0,1,0,1,0,0|2,0,0]=4 6403 B13R1.27 C=CCCCCNC1CCC(C1)O 270004a_100000703577_100012614533 [0,1,0,1,0,0|1,0,1]=4 6404 B13R1.27 C=CCCCCNC1CNC(=O)C1 2230a_100000697751_100011215482 [0,1,0,1,0,0|2,0,0]=4 6405 B13R1.27 C=CCCCCNC1COC(=O)O1 34a_100000703577_100000032252 [0,1,0,1,0,0|1,0,0]=3 6406 B13R1.27 C=CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215482 [0,1,0,1,0,0|1,0,1]=4 6407 B13R1.27 C=CCCCCOC1CCC(=O)C1 34a_100012614533_100011215482 [0,1,0,1,0,0|1,0,0]=3 6408 B13R1.27 C=CCCCCOC1CNC(=O)C1 34a_100000690082_100011215482 [0,1,0,1,0,0|2,0,0]=4 6409 B13R1.27 C=CCCCCOC1COC(=O)O1 34a_100000766645_100000032252 [0,1,0,1,0,0|1,0,0]=3 6410 B13R1.27 C=CCCCCSC1COC(=O)O1 62a_100011215482_100000032252 [0,1,0,1,0,0|1,0,0]=3 6411 B13R1.27 C=CCCCNCC1CNC(=O)C1 2230a_100016993742_100011713584 [0,1,0,1,0,0|2,0,0]=4 6412 B13R1.27 C=CCCCNCC1CNC(=O)C1 34a_100016993742_100000757094 [0,1,0,1,0,0|2,0,0]=4 6413 B13R1.27 C=CCCCNCC1CNC(=O)O1 2230a_100000700776_100000181169 [0,1,0,1,0,0|1,0,0]=3 6414 B13R1.27 C=CCCCNCC1CNC(=O)O1 34a_100000700776_100000181169 [0,1,0,1,0,0|1,0,0]=3 6415 B13R1.27 C=CCCCNCC1COC(=O)O1 34a_100000700776_100000073702 [0,1,0,1,0,0|1,0,0]=3 6416 B13R1.27 C=CCCCNC[C@@H]1CCC(=O)N1 2230a_100000700776_100015189358 [0,1,0,1,0,0|1,0,0]=3 6417 B13R1.27 C=CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011713584 [0,1,0,1,0,0|1,0,0]=3 6418 B13R1.27 C=CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000757094 [0,1,0,1,0,0|1,0,0]=3 6419 B13R1.27 C=CCCCNC[C@H]1COC(=O)N1 2230a_100000700776_100015307671 [0,1,0,1,0,0|2,0,0]=4 6420 B13R1.27 C=CCCCNC[C@H]1COC(=O)N1 34a_100000700776_100015307671 [0,1,0,1,0,0|2,0,0]=4 6421 B13R1.27 C=CCCCOCC1CCC(=O)N1 34a_100000737831_100000757094 [0,1,0,1,0,0|1,0,0]=3 6422 B13R1.27 C=CCCCOCC1CNC(=O)C1 34a_100016041077_100000757094 [0,1,0,1,0,0|2,0,0]=4 6423 B13R1.27 C=CCCCOCC1CNC(=O)O1 34a_100000758997_100000181169 [0,1,0,1,0,0|1,0,0]=3 6424 B13R1.27 C=CCCCOCC1CNC(=O)O1 34a_100011315639_100000757094 [0,1,0,1,0,0|1,0,0]=3 6425 B13R1.27 C=CCCCOCC1CNC(=O)O1 7a_100000758997_100000181169 [0,1,0,1,0,0|1,0,0]=3 6426 B13R1.27 C=CCCCOCC1COC(=O)O1 34a_100000758997_100000073702 [0,1,0,1,0,0|1,0,0]=3 6427 B13R1.27 C=CCCCOC[C@@H]1CCC(=O)N1 7a_100000758997_100015189358 [0,1,0,1,0,0|1,0,0]=3 6428 B13R1.27 C=CCCCOC[C@H]1COC(=O)N1 34a_100000758997_100015307671 [0,1,0,1,0,0|2,0,0]=4 6429 B13R1.27 C=CCCCOC[C@H]1COC(=O)N1 7a_100000758997_100015307671 [0,1,0,1,0,0|2,0,0]=4 6430 B13R1.27 C=CCCCSCC1CNC(=O)O1 62a_100000181169_100000757094 [0,1,0,1,0,0|1,0,0]=3 6431 B13R1.27 C=CCCCSCC1CNC(=O)O1 62a_100011713584_100000181169 [0,1,0,1,0,0|1,0,0]=3 6432 B13R1.27 C=CCCCSCC1COC(=O)O1 62a_100000073702_100000757094 [0,1,0,1,0,0|1,0,0]=3 6433 B13R1.27 C=CCCCSCC1COC(=O)O1 62a_100011713584_100000073702 [0,1,0,1,0,0|1,0,0]=3 6434 B13R1.27 C=CCCCSC[C@@H]1CCC(=O)N1 62a_100011713584_100015189358 [0,1,0,1,0,0|1,0,0]=3 6435 B13R1.27 C=CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757094 [0,1,0,1,0,0|1,0,0]=3 6436 B13R1.27 C=CCCCSC[C@H]1COC(=O)N1 62a_100011713584_100015307671 [0,1,0,1,0,0|2,0,0]=4 6437 B13R1.27 C=CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000757094 [0,1,0,1,0,0|2,0,0]=4 6438 B13R1.27 C=CCCSCCC1COS(=O)O1 62a_100000754431_100009840081 [0,1,0,1,0,0|2,0,0]=4 6439 B13R1.27 C=CCOCCOC1COC(=O)O1 34a_100000037705_100000032252 [0,1,0,1,0,0|2,0,0]=4 6440 B13R1.27 C=COCCCNC1COC(=O)O1 34a_100000210767_100000032252 [0,1,0,1,0,0|2,0,0]=4 6441 B13R1.27 C=COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000039644 [0,1,0,1,0,0|2,0,0]=4 6442 B13R1.27 C=COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000039644 [0,1,0,1,0,0|2,0,0]=4 6443 B13R1.27 C=COCCOCC1CCC(=O)N1 34a_100000737831_100000039644 [0,1,0,1,0,0|2,0,0]=4 6444 B13R1.27 C=COCCOCC1CNC(=O)O1 34a_100000033082_100000181169 [0,1,0,1,0,0|2,0,0]=4 6445 B13R1.27 C=COCCOCC1CNC(=O)O1 34a_100011315639_100000039644 [0,1,0,1,0,0|2,0,0]=4 6446 B13R1.27 C=COCCOCC1COC(=O)O1 34a_100000033082_100000073702 [0,1,0,1,0,0|2,0,0]=4 6447 B13R1.27 C=COCCSCC1CNC(=O)O1 62a_100000039644_100000181169 [0,1,0,1,0,0|2,0,0]=4 6448 B13R1.27 C=COCCSCC1CNC(=O)O1 62a_100000181169_100000039644 [0,1,0,1,0,0|2,0,0]=4 6449 B13R1.27 C=COCCSCC1COC(=O)O1 62a_100000039644_100000073702 [0,1,0,1,0,0|2,0,0]=4 6450 B13R1.27 C=COCCSCC1COC(=O)O1 62a_100000073702_100000039644 [0,1,0,1,0,0|2,0,0]=4 6451 B13R1.27 C=COCCSC[C@@H]1CCC(=O)N1 62a_100000039644_100015189358 [0,1,0,1,0,0|2,0,0]=4 6452 B13R1.27 C=COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000039644 [0,1,0,1,0,0|2,0,0]=4 6453 B13R1.27 CC=CCCCOC1COC(=O)O1 34a_100020645299_100000032252 [0,1,0,1,0,0|2,0,0]=4 6454 B13R1.27 O=CCCCCSC1COC(=O)O1 62a_100000139335_100000032252 [0,1,0,1,0,0|2,0,0]=4 6455 B13R1.27 O=CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_200011292268 [0,1,0,1,0,0|2,0,0]=4 6456 B13R1.27 O=CCCCSCC1CNC(=O)O1 62a_100000181169_200011292268 [0,1,0,1,0,0|2,0,0]=4 6457 B13R1.27 O=CCCCSCC1CNC(=O)O1 62a_200011292268_100000181169 [0,1,0,1,0,0|2,0,0]=4 6458 B13R1.27 O=CCCCSCC1COC(=O)O1 62a_100000073702_200011292268 [0,1,0,1,0,0|2,0,0]=4 6459 B13R1.27 O=CCCCSCC1COC(=O)O1 62a_200011292268_100000073702 [0,1,0,1,0,0|2,0,0]=4 6460 B13R1.27 O=CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_200011292268 [0,1,0,1,0,0|2,0,0]=4 6461 B13R1.27 O=CCCCSC[C@@H]1CCC(=O)N1 62a_200011292268_100015189358 [0,1,0,1,0,0|2,0,0]=4 6462 B13R1.201 CN(CC(=O)O)C1CCCCC1=O 269956a_100000746989_100000204591 [0,1,0,1,0,0|2,0,0]=4 6463 B13R1.296 CN(CCC1CCC1=O)CC(=O)O 269956a_100000746989_200016118888 [0,1,0,1,0,0|2,0,0]=4 6464 B13R1.296 O=C(O)CC(O)CNC1CCC1=O 269956a_100011218706_100009892977 [0,1,0,1,0,0|2,0,0]=4 6465 B13R1.373 C=CCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210623 [0,1,0,1,0,0|1,0,0]=3 6466 B13R1.373 C=CCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210623 [0,1,0,1,0,0|2,0,0]=4 6467 B13R1.373 O=CCN1CCCC(C1)CC(=O)O 269956a_100015207179_200015260668 [0,1,0,1,0,0|2,0,0]=4 6468 B13R1.498 C=CCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000754431 [0,1,0,1,0,0|1,0,0]=3 6469 B13R1.1154 C=CCCCN1CC(C1)CC(=O)O 269956a_100016993960_100011713584 [0,1,0,1,0,0|1,0,0]=3 6470 B13R1.1154 C=COCCN1CC(C1)CC(=O)O 269956a_100016993960_100000039644 [0,1,0,1,0,0|2,0,0]=4 6471 B13R1.1154 O=CCCCN1CC(C1)CC(=O)O 269956a_100016993960_200011292268 [0,1,0,1,0,0|2,0,0]=4 6472 B13R1.18 C=CCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000754431 [0,1,0,1,0,0|1,0,1]=4 6473 B13R1.43 C=CCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000754431 [0,1,0,1,0,0|1,0,1]=4 6474 B13R1.43 C=CCCC(=O)CC1CNC(=O)O1 1458a_100000749702_100000181169 [0,1,0,1,0,0|1,0,1]=4 6475 B13R1.43 C=CCCC(=O)CC1COC(=O)O1 1458a_100000749702_100000073702 [0,1,0,1,0,0|1,0,1]=4 6476 B13R1.43 C=CCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000749702_100015189358 [0,1,0,1,0,0|1,0,1]=4 6477 B13R1.43 C=CCCC(C)OC1COC(=O)O1 34a_100000765329_100000032252 [0,1,0,1,0,0|2,0,0]=4 6478 B13R1.43 C=CCCN(C)CC1CNC(=O)O1 2230a_100020639649_100000181169 [0,1,0,1,0,0|2,0,0]=4 6479 B13R1.43 C=CCCN(C)CC1CNC(=O)O1 269982a_100020639649_100000181169 [0,1,0,1,0,0|2,0,0]=4 6480 B13R1.43 C=CCCN(C)CC1COC(=O)O1 269982a_100020639649_100000073702 [0,1,0,1,0,0|2,0,0]=4 6481 B13R1.43 C=CCCN(C)C[C@@H]1CCC(=O)N1 2230a_100020639649_100015189358 [0,1,0,1,0,0|2,0,0]=4 6482 B13R1.43 C=CCCN(C)C[C@@H]1CCC(=O)N1 269982a_100020639649_100015189358 [0,1,0,1,0,0|2,0,0]=4 6483 B13R1.128 C=C(Br)CCOCC1CNC(=O)O1 34a_100009813270_100000181169 [0,1,0,1,0,0|2,0,0]=4 6484 B13R1.128 C=C(Br)CCOCC1COC(=O)O1 34a_100009813270_100000073702 [0,1,0,1,0,0|2,0,0]=4 6485 B13R1.128 C=C(C)CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000730704 [0,1,0,1,0,0|2,0,0]=4 6486 B13R1.128 C=C(C)CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000730704 [0,1,0,1,0,0|2,0,0]=4 6487 B13R1.128 C=C(C)CCOCC1CCC(=O)N1 34a_100000737831_100000730704 [0,1,0,1,0,0|2,0,0]=4 6488 B13R1.128 C=C(C)CCOCC1CNC(=O)O1 34a_100000764851_100000181169 [0,1,0,1,0,0|2,0,0]=4 6489 B13R1.128 C=C(C)CCOCC1CNC(=O)O1 34a_100011315639_100000730704 [0,1,0,1,0,0|2,0,0]=4 6490 B13R1.128 C=C(C)CCOCC1COC(=O)O1 34a_100000764851_100000073702 [0,1,0,1,0,0|2,0,0]=4 6491 B13R1.128 C=C(C)CCSCC1CNC(=O)O1 62a_100000181169_100000730704 [0,1,0,1,0,0|2,0,0]=4 6492 B13R1.128 C=C(C)CCSCC1CNC(=O)O1 62a_100000730704_100000181169 [0,1,0,1,0,0|2,0,0]=4 6493 B13R1.128 C=C(C)CCSCC1COC(=O)O1 62a_100000073702_100000730704 [0,1,0,1,0,0|2,0,0]=4 6494 B13R1.128 C=C(C)CCSCC1COC(=O)O1 62a_100000730704_100000073702 [0,1,0,1,0,0|2,0,0]=4 6495 B13R1.128 C=C(C)CCSC[C@@H]1CCC(=O)N1 62a_100000730704_100015189358 [0,1,0,1,0,0|2,0,0]=4 6496 B13R1.128 C=C(C)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000730704 [0,1,0,1,0,0|2,0,0]=4 6497 B13R1.128 NC(=O)CCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000731001 [0,1,0,1,0,0|2,0,0]=4 6498 B13R1.158 CC(=O)CCCN1CCCCC1=O 1458a_100011236284_200000210301 [0,1,0,1,0,0|2,0,0]=4 6499 B13R1.158 CC(=O)CCOC1CCCCC1=O 34a_100000759926_100000754470 [0,1,0,1,0,0|2,0,0]=4 6500 B13R1.158 CC(=O)CCOC1CCCCC1=O 7a_100000759926_100000204591 [0,1,0,1,0,0|2,0,0]=4 6501 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000053229_100000204591 [0,1,0,1,0,0|2,0,0]=4 6502 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000204591_100000053229 [0,1,0,1,0,0|2,0,0]=4 6503 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,1,0,1,0,0|1,0,1]=4 6504 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100000757172_100000754470 [0,1,0,1,0,0|2,0,0]=4 6505 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100011214950_100000731001 [0,1,0,1,0,0|2,0,0]=4 6506 B13R1.158 NC(=O)CCOC1CCCCC1=O 7a_100000757172_100000204591 [0,1,0,1,0,0|2,0,0]=4 6507 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000204591_100000744528 [0,1,0,1,0,0|2,0,0]=4 6508 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000744528_100000204591 [0,1,0,1,0,0|2,0,0]=4 6509 B13R1.158 NC(=O)COCC1CCCCC1=O 34a_100009861125_100000187820 [0,1,0,1,0,0|2,0,0]=4 6510 B13R1.158 NC(=O)COCC1CCCCC1=O 7a_100009861125_100000187820 [0,1,0,1,0,0|2,0,0]=4 6511 B13R1.158 O=C(O)CONC1CCCCC1=O 269956a_100000106656_100000204591 [0,1,0,1,0,0|2,0,0]=4 6512 B13R1.158 O=C([O-])COCC1CCCCC1=O 34a_100009861125_100020667443 [0,1,0,1,0,0|1,0,1]=4 6513 B13R1.158 [13CH3]C(=O)CCCN1CCCCC1=O 1458a_100011236284_200025704644 [0,1,0,1,0,0|2,0,0]=4 6514 B13R1.337 CC(=O)CCCCN1CC=CCC1 269982a_100000698166_100000735457 [0,1,0,1,0,0|2,0,0]=4 6515 B13R1.337 CC(=O)CCCCN1CC=CCC1 34a_100000698166_100009817362 [0,1,0,1,0,0|2,0,0]=4 6516 B13R1.337 CC(=O)CCCOC1C=CCCC1 34a_100011215024_100000685027 [0,1,0,1,0,0|1,0,0]=3 6517 B13R1.337 CC(=O)CCCOC1C=CCCC1 7a_100000759063_100000751183 [0,1,0,1,0,0|1,0,0]=3 6518 B13R1.337 CC(=O)CCCOC1CC=CCC1 34a_100000073881_100000685027 [0,1,0,1,0,0|2,0,0]=4 6519 B13R1.337 CC(=O)CCCSC1C=CCCC1 62a_100000751183_100011215641 [0,1,0,1,0,0|1,0,0]=3 6520 B13R1.337 CC(=O)CCCSC1C=CCCC1 62a_100011215641_100000751183 [0,1,0,1,0,0|1,0,0]=3 6521 B13R1.337 CC(=O)NCCNC1C=CCCC1 2230a_100000209853_100000751183 [0,1,0,1,0,0|2,0,0]=4 6522 B13R1.337 CC(=O)NCCSC1C=CCCC1 62a_100000189650_100000751183 [0,1,0,1,0,0|2,0,0]=4 6523 B13R1.337 CC(=O)NCCSC1C=CCCC1 62a_100000751183_100000189650 [0,1,0,1,0,0|2,0,0]=4 6524 B13R1.337 CC(=O)OCCOC1C=CCCC1 34a_100011215024_100009814007 [0,1,0,1,0,0|2,0,0]=4 6525 B13R1.337 CC(=O)OCCSC1C=CCCC1 62a_100000751183_100009814007 [0,1,0,1,0,0|2,0,0]=4 6526 B13R1.337 CC(=O)OCCSC1C=CCCC1 62a_100009814007_100000751183 [0,1,0,1,0,0|2,0,0]=4 6527 B13R1.337 CC(O)CCCOC1C=CCCC1 34a_100011215024_200000718107 [0,1,0,1,0,0|1,0,1]=4 6528 B13R1.337 CC(O)CCCSC1C=CCCC1 62a_100000751183_200000718107 [0,1,0,1,0,0|1,0,1]=4 6529 B13R1.337 CC(O)CCCSC1C=CCCC1 62a_200000718107_100000751183 [0,1,0,1,0,0|1,0,1]=4 6530 B13R1.337 CS(=O)CCCNC1C=CCCC1 2230a_200000753449_100000751183 [0,1,0,1,0,0|2,0,0]=4 6531 B13R1.337 NC(=O)CCCOC1C=CCCC1 34a_100011215024_100102525003 [0,1,0,1,0,0|1,0,0]=3 6532 B13R1.337 NC(=O)CCCOC1CC=CCC1 34a_100000073881_100102525003 [0,1,0,1,0,0|2,0,0]=4 6533 B13R1.337 NC(=O)CCCSC1C=CCCC1 62a_100000751183_100102525003 [0,1,0,1,0,0|1,0,0]=3 6534 B13R1.337 NC(=O)CCCSC1C=CCCC1 62a_100102525003_100000751183 [0,1,0,1,0,0|1,0,0]=3 6535 B13R1.337 NC(=O)CCOCC1CC=CCC1 34a_100000210713_100000731001 [0,1,0,1,0,0|2,0,0]=4 6536 B13R1.337 NC(=O)CCOCC1CCC=CO1 34a_100011217868_100000731001 [0,1,0,1,0,0|2,0,0]=4 6537 B13R1.337 NC(=O)NCCSC1C=CCCC1 62a_100000751183_200000034859 [0,1,0,1,0,0|2,0,0]=4 6538 B13R1.337 NC(=O)NCCSC1C=CCCC1 62a_200000034859_100000751183 [0,1,0,1,0,0|2,0,0]=4 6539 B13R1.337 NC(=O)OCCOC1C=CCCC1 34a_100011215024_200011214921 [0,1,0,1,0,0|2,0,0]=4 6540 B13R1.337 NC(=O)OCCOC1C=CCCC1 7a_100000766696_100000751183 [0,1,0,1,0,0|2,0,0]=4 6541 B13R1.337 NC(=O)OCCSC1C=CCCC1 62a_100000751183_200011214921 [0,1,0,1,0,0|2,0,0]=4 6542 B13R1.337 NC(=O)OCCSC1C=CCCC1 62a_200011214921_100000751183 [0,1,0,1,0,0|2,0,0]=4 6543 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,1,0,1,0,0|0,0,2]=4 6544 B13R1.568 C=CCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000754431 [0,1,0,1,0,0|2,0,0]=4 6545 B13R1.568 C=CCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000754431 [0,1,0,1,0,0|2,0,0]=4 6546 B13R1.568 C=CCCN1CCCC(C1)C(=O)N 34a_100000195536_100000754431 [0,1,0,1,0,0|2,0,0]=4 6547 B13R1.568 C=CCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210623 [0,1,0,1,0,0|2,0,0]=4 6548 B13R1.568 C=CCNC1CCCC(C1)C(=O)N 34a_100000749473_100015514636 [0,1,0,1,0,0|2,0,0]=4 6549 B13R1.568 C=CCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210623 [0,1,0,1,0,0|1,0,0]=3 6550 B13R1.568 O=CCNC1CCCC(C1)C(=O)O 269956a_100011216634_200015260668 [0,1,0,1,0,0|2,0,0]=4 6551 B13R1.678 C=CCCC(C)OCC1CC(=O)C1 7a_100000765329_100009874392 [0,1,0,1,0,0|2,0,0]=4 6552 B13R1.4012 C=CCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210623 [0,1,0,1,0,0|1,0,0]=3 6553 B13R1.4012 CC1CCCC(N1CC=O)C(=O)O 269956a_100000704260_200015260668 [0,1,0,1,0,0|2,0,0]=4 6554 B13R1.15 C=CC(O)COC1CCCC(=O)C1 34a_100012613340_100000730141 [0,1,0,1,0,0|2,0,0]=4 6555 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100000735457_100009892977 [0,1,0,1,0,0|2,0,0]=4 6556 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100009892977_100000735457 [0,1,0,1,0,0|2,0,0]=4 6557 B13R1.297 CC(=O)CCOCCC1CCC1=O 7a_100000759926_200016118888 [0,1,0,1,0,0|2,0,0]=4 6558 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_100000053229_200016118888 [0,1,0,1,0,0|2,0,0]=4 6559 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_200016118888_100000053229 [0,1,0,1,0,0|2,0,0]=4 6560 B13R1.297 NC(=O)CCCCNC1CCC1=O 34a_100000696515_100009892977 [0,1,0,1,0,0|2,0,0]=4 6561 B13R1.297 NC(=O)CCCCOC1CCC1=O 34a_100012022536_100009892977 [0,1,0,1,0,0|2,0,0]=4 6562 B13R1.297 NC(=O)CCCCOC1CCC1=O 7a_100012022536_100009892977 [0,1,0,1,0,0|2,0,0]=4 6563 B13R1.297 NC(=O)CCOCCC1CCC1=O 7a_100000757172_200016118888 [0,1,0,1,0,0|2,0,0]=4 6564 B13R1.297 NC(=O)CCSCCC1CCC1=O 62a_100000744528_200016118888 [0,1,0,1,0,0|2,0,0]=4 6565 B13R1.297 NC(=O)CCSCCC1CCC1=O 62a_200016118888_100000744528 [0,1,0,1,0,0|2,0,0]=4 6566 B13R1.297 O=C(O)COCCNC1CCC1=O 269956a_100000700818_100009892977 [0,1,0,1,0,0|2,0,0]=4 6567 B13R1.297 O=C(O)CONCCC1CCC1=O 269956a_100000106656_200016118888 [0,1,0,1,0,0|2,0,0]=4 6568 B13R1.547 C=CC(C)N1CCCCC1C(=O)N 269982a_100000181395_100011215867 [0,1,0,1,0,0|2,0,0]=4 6569 B13R1.547 C=CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215867 [0,1,0,1,0,0|1,0,0]=3 6570 B13R1.547 C=CC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011215867 [0,1,0,1,0,0|2,0,0]=4 6571 B13R1.547 C=CC(C)N1CCSCC1C(=O)O 269956a_100011346106_100011215867 [0,1,0,1,0,0|2,0,0]=4 6572 B13R1.547 C=CC(C)N1CSCCC1C(=O)O 269956a_100015185162_100011215867 [0,1,0,1,0,0|2,0,0]=4 6573 B13R1.717 C=CC(C)COCC1CNC(=O)O1 34a_100011215527_100000181169 [0,1,0,1,0,0|2,0,0]=4 6574 B13R1.717 C=CC(C)COCC1CNC(=O)O1 7a_100011215527_100000181169 [0,1,0,1,0,0|2,0,0]=4 6575 B13R1.717 C=CC(C)COCC1COC(=O)O1 34a_100011215527_100000073702 [0,1,0,1,0,0|2,0,0]=4 6576 B13R1.717 C=CC(C)COC[C@@H]1CCC(=O)N1 7a_100011215527_100015189358 [0,1,0,1,0,0|2,0,0]=4 6577 B13R1.717 C=CC(O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000730141 [0,1,0,1,0,0|2,0,0]=4 6578 B13R1.717 C=CC(O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000730141 [0,1,0,1,0,0|2,0,0]=4 6579 B13R1.717 C=CC(O)COCC1CCC(=O)N1 34a_100000737831_100000730141 [0,1,0,1,0,0|2,0,0]=4 6580 B13R1.717 C=CC(O)COCC1CNC(=O)O1 34a_100011315639_100000730141 [0,1,0,1,0,0|2,0,0]=4 6581 B13R1.717 C=CC(O)CSCC1CNC(=O)O1 62a_100000181169_100000730141 [0,1,0,1,0,0|2,0,0]=4 6582 B13R1.717 C=CC(O)CSCC1CNC(=O)O1 62a_100000730141_100000181169 [0,1,0,1,0,0|2,0,0]=4 6583 B13R1.717 C=CC(O)CSCC1COC(=O)O1 62a_100000073702_100000730141 [0,1,0,1,0,0|2,0,0]=4 6584 B13R1.717 C=CC(O)CSCC1COC(=O)O1 62a_100000730141_100000073702 [0,1,0,1,0,0|2,0,0]=4 6585 B13R1.717 C=CC(O)CSC[C@@H]1CCC(=O)N1 62a_100000730141_100015189358 [0,1,0,1,0,0|2,0,0]=4 6586 B13R1.717 C=CC(O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000730141 [0,1,0,1,0,0|2,0,0]=4 6587 B13R1.717 C=C[C@H](N)COCC1CNC(=O)O1 34a_100016989147_100000181169 [0,1,0,1,0,0|2,0,0]=4 6588 B13R1.717 C=C[C@H](N)COCC1COC(=O)O1 34a_100016989147_100000073702 [0,1,0,1,0,0|2,0,0]=4 6589 B13R1.2880 C=CC(O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000730141 [0,1,0,1,0,0|2,0,0]=4 6590 B13R1.2880 C=CC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730141 [0,1,0,1,0,0|1,0,0]=3 6591 B13R1.2880 C=CC(O)CN1CCSC1C(=O)O 269956a_100000035718_100000730141 [0,1,0,1,0,0|2,0,0]=4 6592 B13R1.2880 C=CC(O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000730141 [0,1,0,1,0,0|2,0,0]=4 6593 B13R1.23 C=CCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000757094 [0,1,0,1,0,0|1,0,1]=4 6594 B13R1.23 C=CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000757094 [0,1,0,1,0,0|0,0,1]=3 6595 B13R1.23 C=CCCNC(=O)[C@@H]1CCC(=O)O1 11a_100015191253_100009814974 [0,1,0,1,0,0|1,0,1]=4 6596 B13R1.23 C=CCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100015191253_100009814974 [0,1,0,1,0,0|1,0,1]=4 6597 B13R1.23 C=CCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015191253_100009814974 [0,1,0,1,0,0|1,0,1]=4 6598 B13R1.23 C=CCCNC(=O)[C@@H]1CCC(=O)O1 527a_100015191253_100009814974 [0,1,0,1,0,0|1,0,1]=4 6599 B13R1.23 C=COCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000039644 [0,1,0,1,0,0|1,0,1]=4 6600 B13R1.149 C=C(C)CCOC1CCCC(=O)C1 34a_100012613340_100000730704 [0,1,0,1,0,0|2,0,0]=4 6601 B13R1.149 C=C(C)COCC1CCCC(=O)N1 34a_200000102386_100000748629 [0,1,0,1,0,0|2,0,0]=4 6602 B13R1.149 C=C(F)COCC1CCCC(=O)N1 34a_200000102386_100009893438 [0,1,0,1,0,0|2,0,0]=4 6603 B13R1.149 CC1=CC(CCC1)OCCC(=O)N 34a_100011218613_100000731001 [0,1,0,1,0,0|2,0,0]=4 6604 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [0,1,0,1,0,0|2,0,0]=4 6605 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747473 [0,1,0,1,0,0|2,0,0]=4 6606 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000747473_100000243696 [0,1,0,1,0,0|2,0,0]=4 6607 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,1,0,1,0,0|1,0,0]=3 6608 B13R1.280 O=C(O)CNC1CCCCNC1=O 269956a_100016091260_100000735217 [0,1,0,1,0,0|2,0,0]=4 6609 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100000243696_100020667443 [0,1,0,1,0,0|1,0,1]=4 6610 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100020667443_100000243696 [0,1,0,1,0,0|1,0,1]=4 6611 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [0,1,0,1,0,0|2,0,0]=4 6612 B13R1.356 C=CCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210623 [0,1,0,1,0,0|1,0,0]=3 6613 B13R1.356 O=CCN1CC(CCC1C(=O)O)O 269956a_100000089875_200015260668 [0,1,0,1,0,0|2,0,0]=4 6614 B13R1.658 C=CCCCN1CCC(C1)C(=O)N 2230a_100000752358_100011713584 [0,1,0,1,0,0|2,0,0]=4 6615 B13R1.658 C=CCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000757094 [0,1,0,1,0,0|2,0,0]=4 6616 B13R1.658 C=CCCCN1CCC(C1)C(=O)N 34a_100000752358_100000757094 [0,1,0,1,0,0|2,0,0]=4 6617 B13R1.658 C=CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000754431 [0,1,0,1,0,0|1,0,0]=3 6618 B13R1.727 C=CCCCC(=O)CC1CC(=O)C1 1458a_100000766728_100009874392 [0,1,0,1,0,0|1,0,1]=4 6619 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,1,0,1,0,0|0,0,2]=4 6620 B13R1.3699 CN(CCCC(=O)O)C1CCC1=O 269956a_100000719178_100009892977 [0,1,0,1,0,0|2,0,0]=4 6621 B13R1.6 C/C=C/COCC1CCCC(=O)N1 34a_200000102386_100102629194 [0,1,0,1,0,0|2,0,0]=4 6622 B13R1.6 C=CCCCCN1CCCC(C1)O 2230a_100000211013_100011215482 [0,1,0,1,0,0|1,0,1]=4 6623 B13R1.6 C=CCCCCN1CCCC(C1)O 269982a_100000211013_100011215482 [0,1,0,1,0,0|1,0,1]=4 6624 B13R1.6 C=CCCCCN1CCNC(=O)C1 2230a_100000184651_100011215482 [0,1,0,1,0,0|2,0,0]=4 6625 B13R1.6 C=CCCCCN1CCOC(=O)C1 2230a_100000131268_100011215482 [0,1,0,1,0,0|2,0,0]=4 6626 B13R1.6 C=CCCCNC1CCCC(C1)O 2230a_100015190357_100011713584 [0,1,0,1,0,0|1,0,1]=4 6627 B13R1.6 C=CCCCNC1CCCC(C1)O 270004a_100000700776_100012613340 [0,1,0,1,0,0|1,0,1]=4 6628 B13R1.6 C=CCCCNC1CCNC(=O)C1 2230a_100016994916_100011713584 [0,1,0,1,0,0|2,0,0]=4 6629 B13R1.6 C=CCCCNC1CCNC(=O)C1 34a_100016994916_100000757094 [0,1,0,1,0,0|2,0,0]=4 6630 B13R1.6 C=CCCCOC1C=C(CCC1)C 34a_100011218613_100000757094 [0,1,0,1,0,0|2,0,0]=4 6631 B13R1.6 C=CCCCOC1CCCC(=O)C1 34a_100012613340_100000757094 [0,1,0,1,0,0|1,0,0]=3 6632 B13R1.6 C=CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000757094 [0,1,0,1,0,0|2,0,0]=4 6633 B13R1.6 C=CCCNCC1CCCC(C1)O 2230a_100011254705_100000754431 [0,1,0,1,0,0|1,0,1]=4 6634 B13R1.6 C=CCCOCC1CCCC(=O)N1 34a_200000102386_100000754431 [0,1,0,1,0,0|1,0,0]=3 6635 B13R1.6 C=CCCOCC1CCNC(=O)C1 34a_100009886756_100000754431 [0,1,0,1,0,0|2,0,0]=4 6636 B13R1.6 C=CCCOCC1COCC(=O)N1 34a_200000101122_100000754431 [0,1,0,1,0,0|2,0,0]=4 6637 B13R1.6 C=COCCOC1CCCC(=O)C1 34a_100012613340_100000039644 [0,1,0,1,0,0|2,0,0]=4 6638 B13R1.6 CC=CCOCC1CCCC(=O)N1 34a_200000102386_100000070051 [0,1,0,1,0,0|2,0,0]=4 6639 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,1,0,1,0,0|0,0,2]=4 6640 B13R1.90 O=C(O)CCC1CCCCN1CF 269956a_100000694054_100015361967 [0,1,0,1,0,0|1,0,1]=4 6641 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_100000759063_100000709159 [0,1,0,1,0,0|2,0,0]=4 6642 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_200000719330_100000685027 [0,1,0,1,0,0|2,0,0]=4 6643 B13R1.167 CC(=O)CCCOC1CCCC1=O 7a_100000759063_100000211823 [0,1,0,1,0,0|2,0,0]=4 6644 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100000211823_100011215641 [0,1,0,1,0,0|2,0,0]=4 6645 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100011215641_100000211823 [0,1,0,1,0,0|2,0,0]=4 6646 B13R1.167 CN1CCCC1CCNCC(=O)O 269956a_100016091260_100000005710 [0,1,0,1,0,0|1,0,1]=4 6647 B13R1.167 NC(=O)CCCNC1CCCC1=O 34a_100000739312_100000709159 [0,1,0,1,0,0|2,0,0]=4 6648 B13R1.167 NC(=O)CCCOC1CCCC1=O 34a_200000719330_100102525003 [0,1,0,1,0,0|2,0,0]=4 6649 B13R1.167 NC(=O)CCCSC1CCCC1=O 62a_100000211823_100102525003 [0,1,0,1,0,0|2,0,0]=4 6650 B13R1.167 NC(=O)CCCSC1CCCC1=O 62a_100102525003_100000211823 [0,1,0,1,0,0|2,0,0]=4 6651 B13R1.167 O=C(O)CNCCN1CCCC1=O 269956a_100016091260_100000739059 [0,1,0,1,0,0|2,0,0]=4 6652 B13R1.193 C=CCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011713584 [0,1,0,1,0,0|1,0,1]=4 6653 B13R1.193 C=CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000757094 [0,1,0,1,0,0|1,0,1]=4 6654 B13R1.224 C#CCN1CCCCCC1C(=O)O 269956a_100000758484_100000184674 [0,1,0,1,0,0|0,0,2]=4 6655 B13R1.224 C=CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210623 [0,1,0,1,0,0|0,0,0]=2 6656 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,1,0,1,0,0|0,0,2]=4 6657 B13R1.224 COCN1CCCCCC1C(=O)O 269956a_100000758484_100000766300 [0,1,0,1,0,0|1,0,1]=4 6658 B13R1.224 CSCN1CCCCCC1C(=O)O 269956a_100000758484_100011218213 [0,1,0,1,0,0|1,0,1]=4 6659 B13R1.224 N#CCN1CCCCCC1C(=O)O 269956a_100000758484_100011215382 [0,1,0,1,0,0|1,0,1]=4 6660 B13R1.224 O=C(O)C1CCCCCN1CCF 269956a_100000758484_100011217306 [0,1,0,1,0,0|1,0,1]=4 6661 B13R1.224 O=C(O)C1CCCCCN1CCO 269956a_100000758484_100000211926 [0,1,0,1,0,0|1,0,1]=4 6662 B13R1.224 O=CCN1CCCCCC1C(=O)O 269956a_100000758484_200015260668 [0,1,0,1,0,0|1,0,0]=3 6663 B13R1.343 CC(=O)CCCOCC1CC=CC1 34a_100000688395_100000685027 [0,1,0,1,0,0|2,0,0]=4 6664 B13R1.343 NC(=O)CCCCCN1CC=CC1 269982a_100015195280_100009817443 [0,1,0,1,0,0|2,0,0]=4 6665 B13R1.343 NC(=O)CCCOCC1CC=CC1 34a_100000688395_100102525003 [0,1,0,1,0,0|2,0,0]=4 6666 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,1,0,1,0,0|0,0,2]=4 6667 B13R1.362 C=CCCCCCCN1CC(C1)O 269982a_100000749847_100011215473 [0,1,0,1,0,0|1,0,1]=4 6668 B13R1.362 C=CCCCCCNC1CC(=C)C1 2230a_100132301982_100000700193 [0,1,0,1,0,0|2,0,0]=4 6669 B13R1.362 C=CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000700193 [0,1,0,1,0,0|1,0,1]=4 6670 B13R1.362 C=CCCCCCSC1CC(=O)C1 62a_100009894365_100000700193 [0,1,0,1,0,0|1,0,0]=3 6671 B13R1.362 C=CCCCCNCC1CC(=C)C1 2230a_100102567296_100011215482 [0,1,0,1,0,0|2,0,0]=4 6672 B13R1.362 C=CCCCCNCC1CC(=C)C1 34a_100102567296_100011215482 [0,1,0,1,0,0|2,0,0]=4 6673 B13R1.362 C=CCCCCNCC1CC(=O)C1 2230a_100000703577_100009874392 [0,1,0,1,0,0|1,0,0]=3 6674 B13R1.362 C=CCCCCNCC1CC(C1)O 2230a_100016992100_100011215482 [0,1,0,1,0,0|1,0,1]=4 6675 B13R1.362 C=CCCCCOCC1CC(=C)C1 34a_100011011225_100011215482 [0,1,0,1,0,0|2,0,0]=4 6676 B13R1.362 C=CCCCCOCC1CC(=O)C1 34a_100000101936_100011215482 [0,1,0,1,0,0|1,0,0]=3 6677 B13R1.362 C=CCCCCOCC1CC(=O)C1 7a_100000766645_100009874392 [0,1,0,1,0,0|1,0,0]=3 6678 B13R1.362 C=CCCCCSCC1CC(=O)C1 62a_100009874392_100011215482 [0,1,0,1,0,0|1,0,0]=3 6679 B13R1.362 C=CCCCCSCC1CC(=O)C1 62a_100011215482_100009874392 [0,1,0,1,0,0|1,0,0]=3 6680 B13R1.362 C=CCOCCOCC1CC(=O)C1 7a_100000037705_100009874392 [0,1,0,1,0,0|2,0,0]=4 6681 B13R1.362 C=COCCCNCC1CC(=O)C1 2230a_100000210767_100009874392 [0,1,0,1,0,0|2,0,0]=4 6682 B13R1.362 O=CCCCCCSC1CC(=O)C1 62a_100009894365_100000139337 [0,1,0,1,0,0|2,0,0]=4 6683 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100000139335_100009874392 [0,1,0,1,0,0|2,0,0]=4 6684 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100009874392_100000139335 [0,1,0,1,0,0|2,0,0]=4 6685 B13R1.380 C=CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210623 [0,1,0,1,0,0|1,0,0]=3 6686 B13R1.380 C=CCN1CCCCC1CC(=O)N 269982a_100015184752_100000210623 [0,1,0,1,0,0|1,0,0]=3 6687 B13R1.380 C=CCN1CCCCC1CC(=O)N 34a_100015184752_100015514636 [0,1,0,1,0,0|1,0,0]=3 6688 B13R1.380 NC(=O)CC1CCCCN1CC=O 2230a_100015184752_200015260668 [0,1,0,1,0,0|2,0,0]=4 6689 B13R1.380 NC(=O)CC1CCCCN1CC=O 269982a_100015184752_200015260668 [0,1,0,1,0,0|2,0,0]=4 6690 B13R1.380 NC(=O)CC1CCCCN1CC=O 34a_100015184752_200009817547 [0,1,0,1,0,0|2,0,0]=4 6691 B13R1.572 C#CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000688953 [0,1,0,1,0,0|0,0,2]=4 6692 B13R1.572 C#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000184674 [0,1,0,1,0,0|0,0,2]=4 6693 B13R1.572 C/C=C/CN1CCCCC1C(=O)N 269982a_100000181395_100102629194 [0,1,0,1,0,0|2,0,0]=4 6694 B13R1.572 C/C=C/CN1CCCCC1C(=O)N 34a_100000181395_100102629194 [0,1,0,1,0,0|2,0,0]=4 6695 B13R1.572 C/C=C/CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100102629194 [0,1,0,1,0,0|1,0,0]=3 6696 B13R1.572 C/C=C/CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100102629194 [0,1,0,1,0,0|2,0,0]=4 6697 B13R1.572 C/C=C/CN1CCSCC1C(=O)O 269956a_100011346106_100102629194 [0,1,0,1,0,0|2,0,0]=4 6698 B13R1.572 C/C=C/CN1CSCCC1C(=O)O 269956a_100015185162_100102629194 [0,1,0,1,0,0|2,0,0]=4 6699 B13R1.572 C=CCCN1CCCCC1C(=O)N 2230a_100000181395_100000754431 [0,1,0,1,0,0|1,0,0]=3 6700 B13R1.572 C=CCCN1CCCCC1C(=O)N 269982a_100000181395_100000754431 [0,1,0,1,0,0|1,0,0]=3 6701 B13R1.572 C=CCCN1CCCCC1C(=O)N 34a_100000181395_100000754431 [0,1,0,1,0,0|1,0,0]=3 6702 B13R1.572 C=CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000754431 [0,1,0,1,0,0|0,0,0]=2 6703 B13R1.572 C=CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000754431 [0,1,0,1,0,0|1,0,0]=3 6704 B13R1.572 C=CCCN1CCSCC1C(=O)O 269956a_100011346106_100000754431 [0,1,0,1,0,0|1,0,0]=3 6705 B13R1.572 C=CCCN1CSCCC1C(=O)O 269956a_100015185162_100000754431 [0,1,0,1,0,0|1,0,0]=3 6706 B13R1.572 C=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210623 [0,1,0,1,0,0|0,0,0]=2 6707 B13R1.572 CC=CCN1CCCCC1C(=O)N 2230a_100000181395_100000070051 [0,1,0,1,0,0|2,0,0]=4 6708 B13R1.572 CC=CCN1CCCCC1C(=O)N 34a_100000181395_100000070051 [0,1,0,1,0,0|2,0,0]=4 6709 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,1,0,1,0,0|0,0,2]=4 6710 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,1,0,1,0,0|0,0,2]=4 6711 B13R1.572 COCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000233755 [0,1,0,1,0,0|1,0,1]=4 6712 B13R1.572 COCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000766300 [0,1,0,1,0,0|1,0,1]=4 6713 B13R1.572 CSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000212216 [0,1,0,1,0,0|1,0,1]=4 6714 B13R1.572 CSCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218213 [0,1,0,1,0,0|1,0,1]=4 6715 B13R1.572 N#CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215226 [0,1,0,1,0,0|1,0,1]=4 6716 B13R1.572 N#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215382 [0,1,0,1,0,0|1,0,1]=4 6717 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCF 269956a_100009816435_100011217306 [0,1,0,1,0,0|1,0,1]=4 6718 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCO 269956a_100009816435_100000211926 [0,1,0,1,0,0|1,0,1]=4 6719 B13R1.572 O=C(O)[C@H]1CCCCN1CCCF 269956a_100000763471_100011934791 [0,1,0,1,0,0|1,0,1]=4 6720 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 269956a_100000763471_100011215043 [0,1,0,1,0,0|1,0,1]=4 6721 B13R1.572 O=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200015260668 [0,1,0,1,0,0|1,0,0]=3 6722 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,1,0,1,0,0|0,0,2]=4 6723 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,1,0,1,0,0|0,0,2]=4 6724 B13R1.659 C=CCCCCCCOCC1CO1 34a_200011216477_102125554688 [0,1,0,1,0,0|1,0,1]=4 6725 B13R1.659 C=CCCCCCCOCC1CO1 7a_200011216477_102125554688 [0,1,0,1,0,0|1,0,1]=4 6726 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215473 [0,1,0,1,0,0|1,0,1]=4 6727 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 7a_200011216477_100000745022 [0,1,0,1,0,0|1,0,1]=4 6728 B13R1.659 C=CCCCCCCSCC1CO1 62a_100011215473_102125554688 [0,1,0,1,0,0|1,0,1]=4 6729 B13R1.659 C=CCCCCCCSCC1CO1 62a_102125554688_100011215473 [0,1,0,1,0,0|1,0,1]=4 6730 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215473 [0,1,0,1,0,0|1,0,1]=4 6731 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100011215473_100000745022 [0,1,0,1,0,0|1,0,1]=4 6732 B13R1.659 C=CCCCCCOCCC1CO1 34a_100011216702_100000732470 [0,1,0,1,0,0|1,0,1]=4 6733 B13R1.659 C=CCCCCCOCCC1CO1 7a_100011216702_100000732470 [0,1,0,1,0,0|1,0,1]=4 6734 B13R1.659 C=CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000700193 [0,1,0,1,0,0|1,0,1]=4 6735 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000700193_100000732470 [0,1,0,1,0,0|1,0,1]=4 6736 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000732470_100000700193 [0,1,0,1,0,0|1,0,1]=4 6737 B13R1.659 C=CCCCCNCCCC1CO1 2230a_100000703577_100000733510 [0,1,0,1,0,0|1,0,1]=4 6738 B13R1.659 C=CCCCCNCCCC1CO1 34a_100000703577_100000733510 [0,1,0,1,0,0|1,0,1]=4 6739 B13R1.659 C=CCCCCOCCCC1CO1 34a_100000766645_100000733510 [0,1,0,1,0,0|1,0,1]=4 6740 B13R1.659 C=CCCCCOCCCC1CO1 7a_100000766645_100000733510 [0,1,0,1,0,0|1,0,1]=4 6741 B13R1.659 C=CCCCCSCCCC1CO1 62a_100000733510_100011215482 [0,1,0,1,0,0|1,0,1]=4 6742 B13R1.659 C=CCCCCSCCCC1CO1 62a_100011215482_100000733510 [0,1,0,1,0,0|1,0,1]=4 6743 B13R1.670 C#CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215417 [0,1,0,1,0,0|0,0,2]=4 6744 B13R1.670 C=CCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011713584 [0,1,0,1,0,0|0,0,2]=4 6745 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011713584 [0,1,0,1,0,0|1,0,0]=3 6746 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011713584 [0,1,0,1,0,0|0,0,0]=2 6747 B13R1.670 C=CCCCN1CCSC1C(=O)O 269956a_100000035718_100011713584 [0,1,0,1,0,0|1,0,0]=3 6748 B13R1.670 C=CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011713584 [0,1,0,1,0,0|1,0,0]=3 6749 B13R1.670 C=CCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100015514636 [0,1,0,1,0,0|2,0,0]=4 6750 B13R1.670 C=CCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100015514636 [0,1,0,1,0,0|2,0,0]=4 6751 B13R1.670 C=CCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100015514636 [0,1,0,1,0,0|2,0,0]=4 6752 B13R1.670 C=CCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100015514636 [0,1,0,1,0,0|2,0,0]=4 6753 B13R1.670 C=COCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000039644 [0,1,0,1,0,0|2,0,0]=4 6754 B13R1.670 C=COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000039644 [0,1,0,1,0,0|1,0,0]=3 6755 B13R1.670 C=COCCN1CCSC1C(=O)O 269956a_100000035718_100000039644 [0,1,0,1,0,0|2,0,0]=4 6756 B13R1.670 C=COCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000039644 [0,1,0,1,0,0|2,0,0]=4 6757 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,1,0,1,0,0|0,0,2]=4 6758 B13R1.670 COCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000740836 [0,1,0,1,0,0|1,0,1]=4 6759 B13R1.670 N#CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000687738 [0,1,0,1,0,0|1,0,1]=4 6760 B13R1.670 NC(=O)[C@@H]1CCCN1CCCC=O 2230a_100000003125_200011292268 [0,1,0,1,0,0|2,0,0]=4 6761 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCF 269956a_100000743916_100000729493 [0,1,0,1,0,0|1,0,1]=4 6762 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO 269956a_100000743916_100000210776 [0,1,0,1,0,0|1,0,1]=4 6763 B13R1.670 O=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200011292268 [0,1,0,1,0,0|1,0,0]=3 6764 B13R1.670 O=CCCCN1CCSC1C(=O)O 269956a_100000035718_200011292268 [0,1,0,1,0,0|2,0,0]=4 6765 B13R1.670 O=CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_200011292268 [0,1,0,1,0,0|2,0,0]=4 6766 B13R1.1022 C=C(C)COC1C=CCCCCC1 34a_100000688657_100000748629 [0,1,0,1,0,0|2,0,0]=4 6767 B13R1.1022 C=C(F)COC1C=CCCCCC1 34a_100000688657_100009893438 [0,1,0,1,0,0|2,0,0]=4 6768 B13R1.1022 CC(O)COC1C=CCCCCC1 34a_100000688657_100011218427 [0,1,0,1,0,0|1,0,1]=4 6769 B13R1.1022 C[C@@H](O)COC1C=CCCCCC1 34a_100000688657_100009817552 [0,1,0,1,0,0|1,0,1]=4 6770 B13R1.1022 NC(=O)COC1C=CCCCCC1 34a_100000688657_100000187820 [0,1,0,1,0,0|1,0,0]=3 6771 B13R1.1022 O=C([O-])COC1C=CCCCCC1 34a_100000688657_100020667443 [0,1,0,1,0,0|0,0,1]=3 6772 B13R1.1022 O=[N+]([O-])COC1C=CCCCCC1 34a_100000688657_100000761209 [0,1,0,1,0,0|1,0,1]=4 6773 B13R1.1148 C=CCCCN1CCCCC(C1)O 2230a_100025706797_100011713584 [0,1,0,1,0,0|1,0,1]=4 6774 B13R1.1148 C=CCCCN1CCCCC(C1)O 269982a_100025706797_100000757094 [0,1,0,1,0,0|1,0,1]=4 6775 B13R1.1148 C=CCCCN1CCCNC(=O)C1 2230a_100015190381_100011713584 [0,1,0,1,0,0|2,0,0]=4 6776 B13R1.3435 C#CCCCCN1CCC1C(=O)O 269956a_100000021838_100010269958 [0,1,0,1,0,0|0,0,2]=4 6777 B13R1.3435 C=CCCCCN1CCC1C(=O)O 269956a_100000021838_100011215482 [0,1,0,1,0,0|0,0,0]=2 6778 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,1,0,1,0,0|0,0,2]=4 6779 B13R1.3435 COCCCCN1CCC1C(=O)O 269956a_100000021838_100000730899 [0,1,0,1,0,0|1,0,1]=4 6780 B13R1.3435 N#CCCCCN1CCC1C(=O)O 269956a_100000021838_100011219923 [0,1,0,1,0,0|1,0,1]=4 6781 B13R1.3435 O=C(O)C1CCN1CCCCCF 269956a_100000021838_100000729378 [0,1,0,1,0,0|1,0,1]=4 6782 B13R1.3435 O=C(O)C1CCN1CCCCCO 269956a_100000021838_100000746330 [0,1,0,1,0,0|1,0,1]=4 6783 B13R1.3435 O=CCCCCN1CCC1C(=O)O 269956a_100000021838_100000139335 [0,1,0,1,0,0|1,0,0]=3 6784 B13R1.9 C=CCCCNC1CCC(=O)NC1 2230a_100000748762_100011713584 [0,1,0,1,0,0|2,0,0]=4 6785 B13R1.9 C=CCCCNC1CCC(=O)NC1 34a_100000748762_100000757094 [0,1,0,1,0,0|2,0,0]=4 6786 B13R1.9 C=CCCCOC1CCC(=O)CC1 34a_100000764474_100000757094 [0,1,0,1,0,0|2,0,0]=4 6787 B13R1.9 C=CCCCOC1CCC(=O)CC1 7a_100000764474_100000757094 [0,1,0,1,0,0|2,0,0]=4 6788 B13R1.9 C=CCCCOC1CCC(=O)NC1 34a_100000079199_100000757094 [0,1,0,1,0,0|2,0,0]=4 6789 B13R1.9 C=CCCOCC1CCC(=O)CC1 34a_100000062911_100000754431 [0,1,0,1,0,0|2,0,0]=4 6790 B13R1.16 C=CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210623 [0,1,0,1,0,0|2,0,0]=4 6791 B13R1.16 C=CCNCC1CCCC(=O)N1C 34a_200010383782_100015514636 [0,1,0,1,0,0|2,0,0]=4 6792 B13R1.382 C=CCN1CCCCC1C(=O)NC 2230a_100011209383_100000210623 [0,1,0,1,0,0|2,0,0]=4 6793 B13R1.382 C=CCN1CCCCC1C(=O)NC 269982a_100011209383_100000210623 [0,1,0,1,0,0|2,0,0]=4 6794 B13R1.382 C=CCN1CCCCC1C(=O)NC 34a_100011209383_100015514636 [0,1,0,1,0,0|2,0,0]=4 6795 B13R1.382 C=CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210623 [0,1,0,1,0,0|1,0,0]=3 6796 B13R1.382 C=CCN1CCCCC1C(=O)OC 269982a_100000734855_100000210623 [0,1,0,1,0,0|1,0,0]=3 6797 B13R1.382 C=CCN1CCCCC1C(=O)OC 34a_100000734855_100015514636 [0,1,0,1,0,0|1,0,0]=3 6798 B13R1.382 C=CCN1CCOCC1C(=O)OC 2230a_100000765174_100000210623 [0,1,0,1,0,0|2,0,0]=4 6799 B13R1.382 C=CCN1CCOCC1C(=O)OC 34a_100000765174_100015514636 [0,1,0,1,0,0|2,0,0]=4 6800 B13R1.382 COC(=O)C1CCCCN1CC=O 2230a_100000734855_200015260668 [0,1,0,1,0,0|2,0,0]=4 6801 B13R1.382 COC(=O)C1CCCCN1CC=O 269982a_100000734855_200015260668 [0,1,0,1,0,0|2,0,0]=4 6802 B13R1.382 COC(=O)C1CCCCN1CC=O 34a_100000734855_200009817547 [0,1,0,1,0,0|2,0,0]=4 6803 B13R1.393 C=CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210623 [0,1,0,1,0,0|1,0,0]=3 6804 B13R1.393 C=CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210623 [0,1,0,1,0,0|1,0,0]=3 6805 B13R1.393 C=CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100015514636 [0,1,0,1,0,0|1,0,0]=3 6806 B13R1.393 COC(=O)C[C@H]1CCCN1CC=O 2230a_100025726698_200015260668 [0,1,0,1,0,0|2,0,0]=4 6807 B13R1.393 COC(=O)C[C@H]1CCCN1CC=O 269982a_100025726698_200015260668 [0,1,0,1,0,0|2,0,0]=4 6808 B13R1.393 COC(=O)C[C@H]1CCCN1CC=O 34a_100025726698_200009817547 [0,1,0,1,0,0|2,0,0]=4 6809 B13R1.528 CN1CCCCC1CCC(=O)CO 1458a_100000210174_100000211948 [0,1,0,1,0,0|1,0,1]=4 6810 B13R1.528 COC(=O)COC1CCCCC1=O 34a_100011214950_100000747449 [0,1,0,1,0,0|2,0,0]=4 6811 B13R1.528 COC(=O)CSC1CCCCC1=O 62a_100000204591_100000747449 [0,1,0,1,0,0|2,0,0]=4 6812 B13R1.528 COC(=O)CSC1CCCCC1=O 62a_100000747449_100000204591 [0,1,0,1,0,0|2,0,0]=4 6813 B13R1.581 C=CCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000754431 [0,1,0,1,0,0|2,0,0]=4 6814 B13R1.581 C=CCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000754431 [0,1,0,1,0,0|2,0,0]=4 6815 B13R1.581 C=CCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000754431 [0,1,0,1,0,0|2,0,0]=4 6816 B13R1.581 C=CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000754431 [0,1,0,1,0,0|1,0,0]=3 6817 B13R1.581 C=CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000754431 [0,1,0,1,0,0|1,0,0]=3 6818 B13R1.581 C=CCCN1CCSC1C(=O)OC 2230a_100015296106_100000754431 [0,1,0,1,0,0|2,0,0]=4 6819 B13R1.581 C=CCCN1CCSC1C(=O)OC 269982a_100015296106_100000754431 [0,1,0,1,0,0|2,0,0]=4 6820 B13R1.581 C=CCCN1CSCC1C(=O)OC 269982a_200000724679_100000754431 [0,1,0,1,0,0|2,0,0]=4 6821 B13R1.581 C=CCOC1CCCC1C(=O)OC 34a_200000081814_100015514636 [0,1,0,1,0,0|1,0,0]=3 6822 B13R1.581 C=CCOC1CCCC1C(=O)OC 7a_200000081814_100015514636 [0,1,0,1,0,0|1,0,0]=3 6823 B13R1.581 COC(=O)C1CCCC1OCC=O 34a_200000081814_200009817547 [0,1,0,1,0,0|2,0,0]=4 6824 B13R1.581 COC(=O)C1CCCC1OCC=O 7a_200000081814_200015260668 [0,1,0,1,0,0|2,0,0]=4 6825 B13R1.595 COC(=O)CCCSC1CCC1=O 62a_100009892977_100011218270 [0,1,0,1,0,0|2,0,0]=4 6826 B13R1.595 COC(=O)CCCSC1CCC1=O 62a_100011218270_100009892977 [0,1,0,1,0,0|2,0,0]=4 6827 B13R1.595 COC(=O)CSCCC1CCC1=O 62a_100000747449_200016118888 [0,1,0,1,0,0|2,0,0]=4 6828 B13R1.595 COC(=O)CSCCC1CCC1=O 62a_200016118888_100000747449 [0,1,0,1,0,0|2,0,0]=4 6829 B13R1.599 COC(=O)CCOC1CCCC1=O 34a_200000719330_100000742370 [0,1,0,1,0,0|2,0,0]=4 6830 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000204255_100000211823 [0,1,0,1,0,0|2,0,0]=4 6831 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000211823_100000204255 [0,1,0,1,0,0|2,0,0]=4 6832 B13R1.667 C=CCCCCCOC1CCC1=O 34a_100011216702_100009892977 [0,1,0,1,0,0|2,0,0]=4 6833 B13R1.667 C=CCCCCCOC1CCC1=O 7a_100011216702_100009892977 [0,1,0,1,0,0|2,0,0]=4 6834 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100000700193_100009892977 [0,1,0,1,0,0|2,0,0]=4 6835 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100009892977_100000700193 [0,1,0,1,0,0|2,0,0]=4 6836 B13R1.667 C=CCCCNCCC1CCC1=O 2230a_100000700776_200016118888 [0,1,0,1,0,0|2,0,0]=4 6837 B13R1.667 C=CCCCOCCC1CCC1=O 7a_100000758997_200016118888 [0,1,0,1,0,0|2,0,0]=4 6838 B13R1.667 C=CCCCSCCC1CCC1=O 62a_100011713584_200016118888 [0,1,0,1,0,0|2,0,0]=4 6839 B13R1.667 C=CCCCSCCC1CCC1=O 62a_200016118888_100000757094 [0,1,0,1,0,0|2,0,0]=4 6840 B13R1.718 CNC(=O)CCNC1C=CCCC1 2230a_100000738227_100000751183 [0,1,0,1,0,0|2,0,0]=4 6841 B13R1.718 CNC(=O)CCOC1C=CCCC1 34a_100011215024_100012179268 [0,1,0,1,0,0|2,0,0]=4 6842 B13R1.718 CNC(=O)CCSC1C=CCCC1 62a_100000737683_100000751183 [0,1,0,1,0,0|2,0,0]=4 6843 B13R1.718 CNC(=O)CCSC1C=CCCC1 62a_100000751183_100000737683 [0,1,0,1,0,0|2,0,0]=4 6844 B13R1.718 COC(=O)CCOC1C=CCCC1 34a_100011215024_100000742370 [0,1,0,1,0,0|1,0,0]=3 6845 B13R1.718 COC(=O)CCSC1C=CCCC1 62a_100000204255_100000751183 [0,1,0,1,0,0|1,0,0]=3 6846 B13R1.718 COC(=O)CCSC1C=CCCC1 62a_100000751183_100000204255 [0,1,0,1,0,0|1,0,0]=3 6847 B13R1.718 COC(=O)OCSC1C=CCCC1 62a_100000751183_100000139417 [0,1,0,1,0,0|2,0,0]=4 6848 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [0,1,0,1,0,0|0,0,2]=4 6849 B13R1.1885 C=CCCCCN1CC1C(=O)OC 2230a_200009830135_100011215482 [0,1,0,1,0,0|1,0,0]=3 6850 B13R1.1885 COC(=O)C1CN1CCCCC=O 2230a_200009830135_100000139335 [0,1,0,1,0,0|2,0,0]=4 6851 B13R1.2855 C=CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011713584 [0,1,0,1,0,0|1,0,0]=3 6852 B13R1.2855 C=CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000757094 [0,1,0,1,0,0|1,0,0]=3 6853 B13R1.2855 C=COCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000039644 [0,1,0,1,0,0|2,0,0]=4 6854 B13R1.2855 C=COCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000039644 [0,1,0,1,0,0|2,0,0]=4 6855 B13R1.2855 COC(=O)[C@@H]1CCN1CCCC=O 2230a_102516456887_200011292268 [0,1,0,1,0,0|2,0,0]=4 6856 B13R1.2855 COC(=O)[C@@H]1CCN1CCCC=O 269982a_102516456887_200011292268 [0,1,0,1,0,0|2,0,0]=4 6857 B13R1.169 CC(CNC1CCCC1=O)C(=O)O 269956a_100000749485_100000211823 [0,1,0,1,0,0|2,0,0]=4 6858 B13R1.169 O=C(O)C(F)CNC1CCCC1=O 269956a_100000084737_100000211823 [0,1,0,1,0,0|2,0,0]=4 6859 B13R1.202 C[C@H](NC1CCCCC1=O)C(=O)O 269956a_100000743915_100000204591 [0,1,0,1,0,0|2,0,0]=4 6860 B13R1.278 C[C@H](NCCC1CCC1=O)C(=O)O 269956a_100000743915_200016118888 [0,1,0,1,0,0|2,0,0]=4 6861 B13R1.351 CC(=O)C(C)COC1C=CCCC1 7a_100000032740_100000751183 [0,1,0,1,0,0|2,0,0]=4 6862 B13R1.351 CC(CNC1C=CCCC1)C(=O)O 269956a_100000749485_100000751183 [0,1,0,1,0,0|1,0,0]=3 6863 B13R1.351 O=C(O)C(F)CNC1C=CCCC1 269956a_100000084737_100000751183 [0,1,0,1,0,0|1,0,0]=3 6864 B13R1.1267 C=CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210623 [0,1,0,1,0,0|1,0,0]=3 6865 B13R1.1267 CC1(CCCCN1CC=O)C(=O)O 269956a_100000698061_200015260668 [0,1,0,1,0,0|2,0,0]=4 6866 B13R1.1889 C=CCCCCN1CC(C1)C(=O)N 34a_100025753142_100011215482 [0,1,0,1,0,0|2,0,0]=4 6867 B13R1.1889 C=CCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011713584 [0,1,0,1,0,0|1,0,0]=3 6868 B13R1.1889 C=COCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000039644 [0,1,0,1,0,0|2,0,0]=4 6869 B13R1.1889 O=CCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200011292268 [0,1,0,1,0,0|2,0,0]=4 6870 B13R1.1979 C=CCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000754431 [0,1,0,1,0,0|1,0,0]=3 6871 B13R1.45 CN(CCC(=O)N)C1C=CCCC1 2230a_100000730477_100000751183 [0,1,0,1,0,0|2,0,0]=4 6872 B13R1.45 NC(=O)CCC(=O)C1C=CCCC1 1458a_100011215257_100000751183 [0,1,0,1,0,0|1,0,1]=4 6873 B13R1.141 C=CCN1CCN(CC1C(=O)O)C 269956a_100020626280_100000210623 [0,1,0,1,0,0|2,0,0]=4 6874 B13R1.141 C=CCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210623 [0,1,0,1,0,0|1,0,0]=3 6875 B13R1.141 C[C@@H]1CCN([C@H](C1)C(=O)O)CC=O 269956a_100009817619_200015260668 [0,1,0,1,0,0|2,0,0]=4 6876 B13R1.564 C=CCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000754431 [0,1,0,1,0,0|2,0,0]=4 6877 B13R1.564 C=CCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000754431 [0,1,0,1,0,0|2,0,0]=4 6878 B13R1.564 C=CCCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000754431 [0,1,0,1,0,0|2,0,0]=4 6879 B13R1.564 C=CCCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000754431 [0,1,0,1,0,0|2,0,0]=4 6880 B13R1.564 C=CCCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000754431 [0,1,0,1,0,0|2,0,0]=4 6881 B13R1.564 C=CCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000754431 [0,1,0,1,0,0|1,0,0]=3 6882 B13R1.564 C=CCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000754431 [0,1,0,1,0,0|1,0,0]=3 6883 B13R1.2919 C=CCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011215482 [0,1,0,1,0,0|1,0,1]=4 6884 B13R1.2919 C=CCCCCN(C)C1CC(=O)C1 269982a_100012000471_100009894365 [0,1,0,1,0,0|2,0,0]=4 6885 B13R1.292 C=C1CC(C1)CNCCCC(=O)C 34a_100102567296_100000685027 [0,1,0,1,0,0|2,0,0]=4 6886 B13R1.292 C=C1CC(C1)CNCCCC(=O)N 34a_100102567296_100102525003 [0,1,0,1,0,0|2,0,0]=4 6887 B13R1.292 C=C1CC(C1)COCCCC(=O)C 34a_100011011225_100000685027 [0,1,0,1,0,0|2,0,0]=4 6888 B13R1.292 C=C1CC(C1)COCCCC(=O)N 34a_100011011225_100102525003 [0,1,0,1,0,0|2,0,0]=4 6889 B13R1.589 C=C(C)CN1CCCCC1C(=O)N 2230a_100000181395_100000748629 [0,1,0,1,0,0|2,0,0]=4 6890 B13R1.589 C=C(C)CN1CCCCC1C(=O)N 269982a_100000181395_100000748629 [0,1,0,1,0,0|2,0,0]=4 6891 B13R1.589 C=C(C)CN1CCCCC1C(=O)N 34a_100000181395_100000748629 [0,1,0,1,0,0|2,0,0]=4 6892 B13R1.589 C=C(C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000748629 [0,1,0,1,0,0|1,0,0]=3 6893 B13R1.589 C=C(C)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000748629 [0,1,0,1,0,0|2,0,0]=4 6894 B13R1.589 C=C(C)CN1CCSCC1C(=O)O 269956a_100011346106_100000748629 [0,1,0,1,0,0|2,0,0]=4 6895 B13R1.589 C=C(C)CN1CSCCC1C(=O)O 269956a_100015185162_100000748629 [0,1,0,1,0,0|2,0,0]=4 6896 B13R1.589 C=C(F)CN1CCCCC1C(=O)N 2230a_100000181395_100009893438 [0,1,0,1,0,0|2,0,0]=4 6897 B13R1.589 C=C(F)CN1CCCCC1C(=O)N 269982a_100000181395_100009893438 [0,1,0,1,0,0|2,0,0]=4 6898 B13R1.589 C=C(F)CN1CCCCC1C(=O)N 34a_100000181395_100009893438 [0,1,0,1,0,0|2,0,0]=4 6899 B13R1.589 C=C(F)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000042424 [0,1,0,1,0,0|1,0,0]=3 6900 B13R1.589 C=C(F)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000042424 [0,1,0,1,0,0|2,0,0]=4 6901 B13R1.589 C=C(F)CN1CCSCC1C(=O)O 269956a_100011346106_100000042424 [0,1,0,1,0,0|2,0,0]=4 6902 B13R1.589 C=C(F)CN1CSCCC1C(=O)O 269956a_100015185162_100000042424 [0,1,0,1,0,0|2,0,0]=4 6903 B13R1.589 NC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000187820 [0,1,0,1,0,0|2,0,0]=4 6904 B13R1.589 O=C([O-])CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100020667443 [0,1,0,1,0,0|2,0,0]=4 6905 B13R1.1065 CC(=O)CCCN1CCC1C(=O)O 269956a_100000021838_100011215641 [0,1,0,1,0,0|1,0,1]=4 6906 B13R1.1065 NC(=O)CCCN1CCC1C(=O)O 269956a_100000021838_100102525003 [0,1,0,1,0,0|2,0,0]=4 6907 B13R1.3576 C=C(C)CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000730704 [0,1,0,1,0,0|2,0,0]=4 6908 B13R1.3576 C=C(C)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730704 [0,1,0,1,0,0|1,0,0]=3 6909 B13R1.3576 C=C(C)CCN1CCSC1C(=O)O 269956a_100000035718_100000730704 [0,1,0,1,0,0|2,0,0]=4 6910 B13R1.3576 C=C(C)CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000730704 [0,1,0,1,0,0|2,0,0]=4 6911 B13R1.3576 CC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000053229 [0,1,0,1,0,0|1,0,1]=4 6912 B13R1.3576 NC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000744528 [0,1,0,1,0,0|2,0,0]=4 6913 B13R1.41 C=CCC(C)COC1COC(=O)O1 34a_100009832082_100000032252 [0,1,0,1,0,0|2,0,0]=4 6914 B13R1.41 C=CC[C@@H](C)OCC1CNC(=O)O1 34a_100000731007_100000181169 [0,1,0,1,0,0|2,0,0]=4 6915 B13R1.41 C=CC[C@@H](C)OCC1CNC(=O)O1 7a_100000731007_100000181169 [0,1,0,1,0,0|2,0,0]=4 6916 B13R1.41 C=CC[C@@H](C)OCC1COC(=O)O1 34a_100000731007_100000073702 [0,1,0,1,0,0|2,0,0]=4 6917 B13R1.41 C=CC[C@@H](C)OC[C@@H]1CCC(=O)N1 7a_100000731007_100015189358 [0,1,0,1,0,0|2,0,0]=4 6918 B13R1.41 C=CC[C@@H](N)COC1COC(=O)O1 34a_100020615467_100000032252 [0,1,0,1,0,0|2,0,0]=4 6919 B13R1.462 C=CCC(C)COCC1CC(=O)C1 7a_100009832082_100009874392 [0,1,0,1,0,0|2,0,0]=4 6920 B13R2.31 O=C1CC(C1)SC2C=CCCC2 62a_100009894365_100000751183 [0,0,0,2,0,0|2,0,0]=4 6921 B13R2.2334 CN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_200000210301 [0,0,0,2,0,0|1,0,1]=4 6922 B13R2.2334 [13CH3]N1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_200025704644 [0,0,0,2,0,0|1,0,1]=4 6923 B13R2.5551 CC(=O)CCN1CC2C=CC1C2 269982a_100000732668_100000053229 [0,0,0,2,0,0|2,0,0]=4 6924 B13R2.5551 CC(=O)NCC1CC2C=CC1C2 11a_100000189500_100015343762 [0,0,0,2,0,0|2,0,0]=4 6925 B13R2.5551 CC(=O)NCC1CC2C=CC1C2 1626a_100000189500_100015343762 [0,0,0,2,0,0|2,0,0]=4 6926 B13R2.5551 CC(=O)NCC1CC2C=CC1C2 240690a_100000189500_100015343762 [0,0,0,2,0,0|2,0,0]=4 6927 B13R2.5551 CC(=O)NCC1CC2C=CC1C2 527a_100000189500_100103153847 [0,0,0,2,0,0|2,0,0]=4 6928 B13R2.5551 NC(=O)CCN1CC2C=CC1C2 2230a_100000732668_100000744528 [0,0,0,2,0,0|2,0,0]=4 6929 B13R2.5551 NC(=O)CCN1CC2C=CC1C2 269982a_100000732668_100000744528 [0,0,0,2,0,0|2,0,0]=4 6930 B13R2.5551 NC(=O)CCN1CC2C=CC1C2 34a_100000732668_100000731001 [0,0,0,2,0,0|2,0,0]=4 6931 B13R2.5551 NC(=O)COC1CC2C=CC1C2 34a_100000043678_100000187820 [0,0,0,2,0,0|2,0,0]=4 6932 B13R2.5551 O=C([O-])COC1CC2C=CC1C2 34a_100000043678_100020667443 [0,0,0,2,0,0|1,0,1]=4 6933 B13R2.4883 O=C(O)C1CCN1C2CCC2=O 269956a_100000021838_100009892977 [0,0,0,2,0,0|2,0,0]=4