0 B10R0.97 C=C(C)CCSCCN(C)C 62a_100000730704_100000755713 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.97 C=C(C)CSCCCN(C)C 62a_100000748629_100000757444 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.97 C=C(F)CSCCCN(C)C 62a_100000042424_100000757444 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.97 CC(=CCSCCN(C)C)C 62a_100000761012_100000755713 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,0,0,0,0,0|4,0,0]=4 9 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,0,0,0,0,0|3,0,0]=3 11 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,0,0,0,0,0|2,1,0]=3 12 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [0,0,0,0,0,0|3,1,0]=4 13 B10R0.97 CC(=O)OCSCCN(C)C 62a_100000076356_100000755713 [0,0,0,0,0,0|3,1,0]=4 14 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,0,0,0,0,0|2,0,0]=2 15 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,0,0,0,0,0|2,0,0]=2 16 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,0,0,0,0,0|4,0,0]=4 19 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,0,0,0,0,0|4,0,0]=4 20 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,0,0,0,0,0|4,0,0]=4 21 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [0,0,0,0,0,0|3,0,1]=4 24 B10R0.97 CC(C)CCCCSC(C)C 62a_100000210206_100011216152 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.97 CC(C)CCCCSC(C)C 62a_100011216152_100000210206 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,0,0,0,0,0|4,0,0]=4 28 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,0,0,0,0,0|4,0,0]=4 29 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,0,0,0,0,0|4,0,0]=4 30 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,0,0,0,0,0|4,0,0]=4 32 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,0,0,0,0,0|4,0,0]=4 33 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,0,0,0,0,0|4,0,0]=4 34 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,0,0,0,0,0|4,0,0]=4 35 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,0,0,0,0,0|4,0,0]=4 36 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,0,0,0,0,0|4,0,0]=4 37 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,0,0,0,0,0|4,0,0]=4 38 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,0,0,0,0,0|4,0,0]=4 39 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,0,0,0,0,0|4,0,0]=4 40 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,0,0,0,0,0|4,0,0]=4 41 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,0,0,0,0,0|4,0,0]=4 42 B10R0.97 CC(C)CNCCNC(=O)N 2230a_100000210953_200000034859 [0,0,0,0,0,0|4,0,0]=4 43 B10R0.97 CC(C)CNCCNC(=O)N 34a_100020590234_100000210624 [0,0,0,0,0,0|4,0,0]=4 44 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,0,0,0,0,0|3,1,0]=4 45 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,0,0,0,0,0|4,0,0]=4 46 B10R0.97 CC(C)COCCNC(=O)N 34a_100000181757_100000210624 [0,0,0,0,0,0|4,0,0]=4 47 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,0,0,0,0,0|3,1,0]=4 48 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,0,0,0,0,0|3,1,0]=4 49 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,0,0,0,0,0|4,0,0]=4 50 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,0,0,0,0,0|4,0,0]=4 51 B10R0.97 CC(C)CSCCNC(=O)N 62a_100000210624_200000034859 [0,0,0,0,0,0|4,0,0]=4 52 B10R0.97 CC(C)CSCCNC(=O)N 62a_200000034859_100000210760 [0,0,0,0,0,0|4,0,0]=4 53 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,0,0,0,0,0|3,1,0]=4 54 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,0,0,0,0,0|3,1,0]=4 55 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,0,0,0,0,0|4,0,0]=4 56 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,0,0,0,0,0|4,0,0]=4 57 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,0,0,0,0,0|4,0,0]=4 58 B10R0.97 CC(C)SCCCCN(C)C 62a_100000210206_100000690147 [0,0,0,0,0,0|2,0,1]=3 59 B10R0.97 CN(C)CCCCCB(O)O 2230a_100102631434_200009817188 [0,0,0,0,0,0|4,0,0]=4 60 B10R0.97 CN(C)CCCCCB(O)O 269982a_100102631434_200009817188 [0,0,0,0,0,0|4,0,0]=4 61 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,0,0,0,0,0|2,0,0]=2 62 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,0,0,0,0,0|2,0,0]=2 63 B10R0.97 CN(C)CCCCO[N+](=O)[O-] 269982a_100102631434_100015694321 [0,0,0,0,0,0|3,1,0]=4 64 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,0,0,0,0,0|4,0,0]=4 65 B10R0.97 CN(C)CCCSCC(=O)N 62a_100000747473_100000757444 [0,0,0,0,0,0|3,0,0]=3 66 B10R0.97 CN(C)CCCSCC(=O)[O-] 62a_100020667443_100000757444 [0,0,0,0,0,0|4,0,0]=4 67 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [0,0,0,0,0,0|3,0,0]=3 68 B10R0.97 CN(C)CCSCCC(=O)N 62a_100000744528_100000755713 [0,0,0,0,0,0|3,0,0]=3 69 B9R0.2 C#CCCCCCN(C)C 2230a_100102631434_100012094781 [1,0,0,0,0,0|2,0,1]=4 70 B9R0.2 C#CCCCCCN(C)C 269982a_100102631434_100012094781 [1,0,0,0,0,0|2,0,1]=4 71 B9R0.2 C/C=C/CSCCN(C)C 62a_100102629194_100000755713 [1,0,0,0,0,0|3,0,0]=4 72 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [1,0,0,0,0,0|2,0,0]=3 73 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [1,0,0,0,0,0|2,0,0]=3 74 B9R0.2 C=CCCSCCN(C)C 62a_100000754431_100000755713 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.2 C=CCSCCCN(C)C 62a_100000210623_100000757444 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,0,0,0,0|3,0,0]=4 77 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,0,0,0,0,0|3,0,0]=4 79 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,0,0,0,0,0|3,0,0]=4 80 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [1,0,0,0,0,0|2,0,1]=4 81 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [1,0,0,0,0,0|2,0,1]=4 82 B9R0.2 CC=CCSCCN(C)C 62a_100000070051_100000755713 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 84 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 86 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 87 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 88 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 89 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,0,0,0,0,0|2,0,1]=4 90 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [1,0,0,0,0,0|1,0,1]=3 92 B9R0.2 CN(C)CCCCCC#N 2230a_100102631434_100009813376 [1,0,0,0,0,0|1,0,2]=4 93 B9R0.2 CN(C)CCCCCC#N 269982a_100102631434_100009813376 [1,0,0,0,0,0|1,0,2]=4 94 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [1,0,0,0,0,0|2,0,0]=3 95 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [1,0,0,0,0,0|2,0,0]=3 96 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,0,0,0,0,0|2,0,1]=4 98 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,0,0,0,0,0|2,0,1]=4 99 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.2 CN(C)CCCCSCF 62a_100015361967_100000690147 [1,0,0,0,0,0|1,0,1]=3 101 B9R0.2 CN(C)CCCSCC=O 62a_200015260668_100000757444 [1,0,0,0,0,0|3,0,0]=4 102 B9R0.2 CN(C)CCSCSC#N 62a_100000211825_100000755713 [1,0,0,0,0,0|1,0,2]=4 103 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,0,0,0,0|2,0,0]=3 104 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,0,0,0,0|2,0,0]=3 105 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,0,0,0,0|2,0,0]=3 106 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,0,0,0,0|3,0,0]=4 107 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,0,0,0,0|3,0,0]=4 108 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,0,0,0,0|2,1,0]=4 109 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,0,0,0,0|2,1,0]=4 110 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,0,0,0,0,0|2,0,0]=3 111 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,0,0,0,0,0|2,0,0]=3 112 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,0,0,0,0,0|2,0,0]=3 113 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [1,0,0,0,0,0|3,0,0]=4 114 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,0,0,0,0|3,0,0]=4 115 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,0,0,0,0|3,0,0]=4 116 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,0,0,0,0|3,0,0]=4 117 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,0,0,0,0,0|3,0,0]=4 118 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,0,0,0,0|3,0,0]=4 120 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,0,0,0,0,0|3,0,0]=4 121 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,0,0,0,0,0|3,0,0]=4 122 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,0,0,0,0|3,0,0]=4 123 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,0,0,0,0|3,0,0]=4 124 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,0,0,0,0|3,0,0]=4 125 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,0,0,0,0|3,0,0]=4 126 B11R0.6 CC(=CCCC(C)CN(C)C)C 270004a_100102631434_100000033009 [0,1,0,0,0,0|3,0,0]=4 127 B11R0.6 CC(CN(C)C)SCCC(=O)N 62a_100000744528_100020606517 [0,1,0,0,0,0|3,0,0]=4 128 B11R0.6 CC(CN(C)C)SCCC(=O)N 62a_100020606517_100000744528 [0,1,0,0,0,0|3,0,0]=4 129 B11R0.6 CC(CNCC(=O)N)CN(C)C 2230a_100000711301_100015348159 [0,1,0,0,0,0|3,0,0]=4 130 B11R0.6 CC(CSCC(=O)N)CN(C)C 62a_100000747473_100015348159 [0,1,0,0,0,0|3,0,0]=4 131 B11R0.6 CC(CSCC(=O)N)CN(C)C 62a_100015348159_100000747473 [0,1,0,0,0,0|3,0,0]=4 132 B11R0.6 CN(C)CC(=O)CCCC(=O)N 1458a_100000750896_100102525003 [0,1,0,0,0,0|2,0,1]=4 133 B11R0.6 CN(C)CC(=O)CCNC(=O)N 1458a_100000750896_200000034859 [0,1,0,0,0,0|2,0,1]=4 134 B11R0.6 CN(C)CC(=O)CCOC(=O)N 1458a_100000750896_200011214921 [0,1,0,0,0,0|1,1,1]=4 135 B11R0.6 CN(C)CCCC(=O)CC(=O)N 1458a_100134613110_100000695564 [0,1,0,0,0,0|2,0,1]=4 136 B11R0.6 CN(C)CCCN(C)CC(=O)N 269982a_100000225831_100000187820 [0,1,0,0,0,0|3,0,0]=4 137 B11R0.29 CC(SCCCN(C)C)C(=O)N 62a_100000702099_100000757444 [0,1,0,0,0,0|3,0,0]=4 138 B11R0.29 CN(C)C(=O)CCCN=C(N)N 240690a_100102631434_100000034108 [0,1,0,0,0,0|1,0,2]=4 139 B11R0.29 CN(C)CCCCC(=C(F)F)F 2230a_100102631434_200009813713 [0,1,0,0,0,0|3,0,0]=4 140 B11R0.29 CN(C)CCCCC(=C(F)F)F 269982a_100102631434_200009813713 [0,1,0,0,0,0|3,0,0]=4 141 B11R0.29 CN(C)CCCNC(=O)C(=O)N 240690a_102531767803_100011215815 [0,1,0,0,0,0|3,0,0]=4 142 B11R0.29 CN(C)CCCSC(F)C(=O)N 62a_100009813875_100000757444 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.29 C[C@@H](OCCCN(C)C)C(=O)N 7a_100000731257_100000757444 [0,1,0,0,0,0|3,0,0]=4 144 B11R0.31 CN(C)CCCCSC(C)(C)C 62a_100000211941_100000690147 [0,1,0,0,0,0|2,0,1]=4 145 B11R0.31 CN(C)CCCCSC(F)(F)F 62a_200000243211_100000690147 [0,1,0,0,0,0|2,0,1]=4 146 B11R0.85 CN(C)CCN(C)CCC(=O)N 269982a_100000225618_100000744528 [0,1,0,0,0,0|3,0,0]=4 147 B11R0.111 C#CC(C)SCCCCN(C)C 62a_200000035995_100000690147 [0,1,0,0,0,0|2,0,1]=4 148 B11R0.111 C=CC(=O)NCCCCN(C)C 240690a_100025707445_200121576911 [0,1,0,0,0,0|3,0,0]=4 149 B11R0.111 C=CC(C)SCCCCN(C)C 62a_100011215867_100000690147 [0,1,0,0,0,0|2,0,1]=4 150 B11R0.111 CC(C#N)SCCCCN(C)C 62a_100000703298_100000690147 [0,1,0,0,0,0|1,0,2]=4 151 B11R0.111 CC(C)CCOCCC(=NO)N 34a_100000749954_100000210312 [0,1,0,0,0,0|3,0,0]=4 152 B11R0.111 CC(CO)SCCCCN(C)C 62a_100012180447_100000690147 [0,1,0,0,0,0|2,0,1]=4 153 B11R0.111 CCC(=O)NCCCCN(C)C 240690a_100025707445_100000210414 [0,1,0,0,0,0|3,0,0]=4 154 B11R0.111 CCC(C)SCCCCN(C)C 62a_100000758301_100000690147 [0,1,0,0,0,0|2,0,1]=4 155 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [0,1,0,0,0,0|2,0,0]=3 156 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [0,1,0,0,0,0|2,0,0]=3 157 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [0,1,0,0,0,0|2,1,0]=4 158 B11R0.111 CCN(C)CCCCSC(=O)C 2230a_100000225621_200010402107 [0,1,0,0,0,0|2,0,0]=3 159 B11R0.111 CCN(C)CCCCSC(=O)C 269982a_100000225621_200010402107 [0,1,0,0,0,0|2,0,0]=3 160 B11R0.111 CCN(C)CCCNCC(=O)N 2230a_100000711301_100015186262 [0,1,0,0,0,0|3,0,0]=4 161 B11R0.111 CCN(C)CCCSCC(=O)N 62a_100000747473_100015186262 [0,1,0,0,0,0|3,0,0]=4 162 B11R0.111 CN(C)CCCCNC(=O)CO 240690a_100025707445_100000210174 [0,1,0,0,0,0|3,0,0]=4 163 B11R0.111 CN(C)CCCCSC(F)C#N 62a_200000117898_100000690147 [0,1,0,0,0,0|1,0,2]=4 164 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [0,1,0,0,0,0|3,0,0]=4 165 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [0,1,0,0,0,0|3,0,0]=4 166 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [0,1,0,0,0,0|3,0,0]=4 167 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [0,1,0,0,0,0|3,0,0]=4 168 B11R0.111 CNC(=O)CCSCCN(C)C 62a_100000737683_100000755713 [0,1,0,0,0,0|3,0,0]=4 169 B11R0.111 CNC(=O)CSCCCN(C)C 62a_100000183359_100000757444 [0,1,0,0,0,0|3,0,0]=4 170 B11R0.111 CNC(=O)NCCCCN(C)C 2708a_100025707445_106832991635 [0,1,0,0,0,0|2,0,0]=3 171 B11R0.111 CNC(=O)NCCCCN(C)C 2708a_100102657272_100025707445 [0,1,0,0,0,0|2,0,0]=3 172 B11R0.111 CNC(=O)NCCCCN(C)C 273464a_100025707445_100102657272 [0,1,0,0,0,0|2,0,0]=3 173 B11R0.111 CNC(=O)NCCCCN(C)C 273464a_100102657272_100025707445 [0,1,0,0,0,0|2,0,0]=3 174 B11R0.111 CNC(=O)NCCCCN(C)C 512a_100025707445_100102657272 [0,1,0,0,0,0|2,0,0]=3 175 B11R0.111 CNC(=O)NCCCCN(C)C 512a_106832991638_100025707445 [0,1,0,0,0,0|2,0,0]=3 176 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [0,1,0,0,0,0|3,0,0]=4 177 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [0,1,0,0,0,0|3,0,0]=4 178 B11R0.111 COC(C)SCCCCN(C)C 62a_100009879195_100000690147 [0,1,0,0,0,0|2,0,1]=4 179 B11R0.111 C[C@H](CO)SCCCCN(C)C 62a_100016084084_100000690147 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.75 CC(=O)NCC1CCN(C1)C 240690a_100000742581_100015343762 [0,0,0,1,0,0|3,0,0]=4 181 B11R1.75 CC(=O)NCC1CCN(C1)C 527a_100000742581_100103153847 [0,0,0,1,0,0|3,0,0]=4 182 B11R1.75 CC(=O)OCC1CCN(C1)C 2230a_100000118262_200000210301 [0,0,0,1,0,0|2,1,0]=4 183 B11R1.75 CC(=O)OCC1CCN(C1)C 269982a_100000118262_200000210301 [0,0,0,1,0,0|2,1,0]=4 184 B11R1.75 CC(=O)OCC1CCN(C1)[13CH3] 2230a_100000118262_200025704644 [0,0,0,1,0,0|2,1,0]=4 185 B11R1.75 CC(=O)OCC1CCN(C1)[13CH3] 269982a_100000118262_200025704644 [0,0,0,1,0,0|2,1,0]=4 186 B11R1.75 CC(C)SCC1CCN(C1)C 62a_100000210206_200000690779 [0,0,0,1,0,0|2,0,1]=4 187 B11R1.75 CC(C)SCC1CCN(C1)C 62a_200000690779_100000210206 [0,0,0,1,0,0|2,0,1]=4 188 B11R1.75 CN1CCC(C1)SCC(=O)N 62a_100000747473_200012183744 [0,0,0,1,0,0|3,0,0]=4 189 B11R1.75 Cc1nc(cs1)CCN(C)C 2230a_100102631434_100000695623 [0,0,0,1,0,0|1,0,2]=4 190 B11R1.75 Cc1nc(cs1)CCN(C)C 269982a_100102631434_100000695623 [0,0,0,1,0,0|1,0,2]=4 191 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,0,0,1,0,0|3,0,0]=4 192 B11R1.157 CC(=O)NC1CCCN(C1)C 2230a_106657272119_200000210301 [0,0,0,1,0,0|3,0,0]=4 193 B11R1.157 CC(=O)NC1CCCN(C1)C 269982a_106657272119_200000210301 [0,0,0,1,0,0|3,0,0]=4 194 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 2230a_106657272119_200025704644 [0,0,0,1,0,0|3,0,0]=4 195 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 269982a_106657272119_200025704644 [0,0,0,1,0,0|3,0,0]=4 196 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100015343762 [0,0,0,1,0,0|3,0,0]=4 197 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100103153847 [0,0,0,1,0,0|3,0,0]=4 198 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,0,0,1,0,0|3,0,0]=4 199 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,0,0,1,0,0|3,0,0]=4 200 B9R0.55 C=C(C)CSCCN(C)C 62a_100000748629_100000755713 [0,0,0,0,1,0|3,0,0]=4 201 B9R0.55 C=C(F)CSCCN(C)C 62a_100000042424_100000755713 [0,0,0,0,1,0|3,0,0]=4 202 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,0,0,0,1,0|3,0,0]=4 203 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,0,0,0,1,0|3,0,0]=4 204 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,0,0,0,1,0|2,0,0]=3 205 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,0,0,0,1,0|3,0,0]=4 206 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,0,0,0,1,0|3,0,0]=4 207 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,0,0,0,1,0|2,1,0]=4 208 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,0,0,0,1,0|2,0,0]=3 209 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,0,0,0,1,0|2,0,0]=3 210 B9R0.55 CC(=S)OCCCN(C)C 2230a_100102631434_200135323944 [0,0,0,0,1,0|2,1,0]=4 211 B9R0.55 CC(=S)OCCCN(C)C 269982a_100102631434_200135323944 [0,0,0,0,1,0|2,1,0]=4 212 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,0,0,0,1,0|3,0,0]=4 213 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [0,0,0,0,1,0|2,0,1]=4 214 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [0,0,0,0,1,0|2,0,1]=4 215 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,0,0,0,1,0|3,0,0]=4 216 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,0,0,0,1,0|3,0,0]=4 217 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,0,0,0,1,0|3,0,0]=4 218 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,0,0,0,1,0|3,0,0]=4 219 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,0,0,0,1,0|3,0,0]=4 220 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,0,0,0,1,0|3,0,0]=4 221 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,0,0,0,1,0|3,0,0]=4 222 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,0,0,0,1,0|3,0,0]=4 223 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,0,0,0,1,0|3,0,0]=4 224 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,0,0,0,1,0|3,0,0]=4 225 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,0,0,0,1,0|3,0,0]=4 226 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,0,0,0,1,0|3,0,0]=4 227 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,0,0,0,1,0|3,0,0]=4 228 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,0,0,0,1,0|3,0,0]=4 229 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,0,0,0,1,0|3,0,0]=4 230 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,0,0,0,1,0|3,0,0]=4 231 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,0,0,0,1,0|3,0,0]=4 232 B9R0.55 CC(C)SCCCN(C)C 62a_100000210206_100000757444 [0,0,0,0,1,0|2,0,1]=4 233 B9R0.55 CN(C)CCCCB(O)O 2230a_100102631434_200009817182 [0,0,0,0,1,0|3,0,0]=4 234 B9R0.55 CN(C)CCCCB(O)O 269982a_100102631434_200009817182 [0,0,0,0,1,0|3,0,0]=4 235 B9R0.55 CN(C)CCCCN(C)C 269982a_100102631434_100000690147 [0,0,0,0,1,0|3,0,0]=4 236 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,0,0,0,1,0|3,0,0]=4 237 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,0,0,0,1,0|2,0,0]=3 238 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,0,0,0,1,0|2,0,0]=3 239 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [0,0,0,0,1,0|2,0,0]=3 240 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [0,0,0,0,1,0|3,0,0]=4 241 B11R0.30 C=C(C)CCSCCCN(C)C 62a_100000730704_100000757444 [0,0,0,0,0,1|3,0,0]=4 242 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [0,0,0,0,0,1|3,0,0]=4 243 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [0,0,0,0,0,1|3,0,0]=4 244 B11R0.30 C=C(C)CSCCCCN(C)C 62a_100000748629_100000690147 [0,0,0,0,0,1|2,0,0]=3 245 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100000042424_100011216152 [0,0,0,0,0,1|3,0,0]=4 246 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100011216152_100000042424 [0,0,0,0,0,1|3,0,0]=4 247 B11R0.30 C=C(F)CSCCCCN(C)C 62a_100000042424_100000690147 [0,0,0,0,0,1|2,0,0]=3 248 B11R0.30 CC(=CCCSCCN(C)C)C 62a_100011217483_100000755713 [0,0,0,0,0,1|3,0,0]=4 249 B11R0.30 CC(=CCSCCCN(C)C)C 62a_100000761012_100000757444 [0,0,0,0,0,1|3,0,0]=4 250 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [0,0,0,0,0,1|3,0,0]=4 251 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [0,0,0,0,0,1|3,0,0]=4 252 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [0,0,0,0,0,1|3,0,0]=4 253 B11R0.30 CC(=O)CCCSCCN(C)C 62a_100011215641_100000755713 [0,0,0,0,0,1|3,0,0]=4 254 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [0,0,0,0,0,1|3,0,0]=4 255 B11R0.30 CC(=O)CCSCCCN(C)C 62a_100000053229_100000757444 [0,0,0,0,0,1|3,0,0]=4 256 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [0,0,0,0,0,1|3,0,0]=4 257 B11R0.30 CC(=O)NCCOCCN(C)C 240690a_200153394208_100015343762 [0,0,0,0,0,1|3,0,0]=4 258 B11R0.30 CC(=O)NCCOCCN(C)C 527a_200153394208_100103153847 [0,0,0,0,0,1|3,0,0]=4 259 B11R0.30 CC(=O)NCCSCCN(C)C 62a_100000189650_100000755713 [0,0,0,0,0,1|3,0,0]=4 260 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [0,0,0,0,0,1|2,1,0]=4 261 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [0,0,0,0,0,1|2,1,0]=4 262 B11R0.30 CC(=O)OCCOCCN(C)C 2230a_100102631434_200000083610 [0,0,0,0,0,1|2,1,0]=4 263 B11R0.30 CC(=O)OCCOCCN(C)C 269982a_100102631434_200000083610 [0,0,0,0,0,1|2,1,0]=4 264 B11R0.30 CC(=O)OCCSCCN(C)C 62a_100009814007_100000755713 [0,0,0,0,0,1|2,1,0]=4 265 B11R0.30 CC(=O)OCSCCCN(C)C 62a_100000076356_100000757444 [0,0,0,0,0,1|2,1,0]=4 266 B11R0.30 CC(=O)SCCCCNC(C)C 2230a_100138425928_200010402107 [0,0,0,0,0,1|3,0,0]=4 267 B11R0.30 CC(=O)SCCCCNC(C)C 34a_100138425928_200010402107 [0,0,0,0,0,1|3,0,0]=4 268 B11R0.30 CC(=O)SCCCCOC(C)C 34a_100000212225_200010402107 [0,0,0,0,0,1|3,0,0]=4 269 B11R0.30 CC(=O)SCCCCSC(C)C 62a_100000210206_200010402107 [0,0,0,0,0,1|3,0,0]=4 270 B11R0.30 CC(=O)SCCCCSC(C)C 62a_200010402107_100000210206 [0,0,0,0,0,1|3,0,0]=4 271 B11R0.30 CC(=O)SCCCNCC(C)C 2230a_100000210953_100000038929 [0,0,0,0,0,1|3,0,0]=4 272 B11R0.30 CC(=O)SCCCNCC(C)C 34a_100000210953_100000038929 [0,0,0,0,0,1|3,0,0]=4 273 B11R0.30 CC(=O)SCCCOCC(C)C 34a_100000210257_100000038929 [0,0,0,0,0,1|3,0,0]=4 274 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000038929_100000210760 [0,0,0,0,0,1|3,0,0]=4 275 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000210624_100000038929 [0,0,0,0,0,1|3,0,0]=4 276 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [0,0,0,0,0,1|3,0,0]=4 277 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [0,0,0,0,0,1|3,0,0]=4 278 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [0,0,0,0,0,1|2,1,0]=4 279 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [0,0,0,0,0,1|2,1,0]=4 280 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [0,0,0,0,0,1|2,0,0]=3 281 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [0,0,0,0,0,1|2,0,0]=3 282 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [0,0,0,0,0,1|3,0,0]=4 283 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [0,0,0,0,0,1|3,0,0]=4 284 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [0,0,0,0,0,1|3,0,0]=4 285 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [0,0,0,0,0,1|3,0,0]=4 286 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [0,0,0,0,0,1|3,0,0]=4 287 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [0,0,0,0,0,1|3,0,0]=4 288 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [0,0,0,0,0,1|3,0,0]=4 289 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [0,0,0,0,0,1|3,0,0]=4 290 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [0,0,0,0,0,1|3,0,0]=4 291 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [0,0,0,0,0,1|3,0,0]=4 292 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [0,0,0,0,0,1|3,0,0]=4 293 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [0,0,0,0,0,1|3,0,0]=4 294 B11R0.30 CC(C)CCNCCNC(=O)N 269862a_100020590234_100000185833 [0,0,0,0,0,1|3,0,0]=4 295 B11R0.30 CC(C)CCNCCNC(=O)N 34a_100020590234_100000210312 [0,0,0,0,0,1|3,0,0]=4 296 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [0,0,0,0,0,1|3,0,0]=4 297 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [0,0,0,0,0,1|3,0,0]=4 298 B11R0.30 CC(C)CCOCCNC(=O)N 34a_100000181757_100000210312 [0,0,0,0,0,1|3,0,0]=4 299 B11R0.30 CC(C)CCOCCNC(=O)N 7a_100000210254_200000034859 [0,0,0,0,0,1|3,0,0]=4 300 B11R0.30 CC(C)CCOCCOC(=O)N 34a_100000210254_200011214921 [0,0,0,0,0,1|2,1,0]=4 301 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000210254_200011214921 [0,0,0,0,0,1|2,1,0]=4 302 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000766696_100000210626 [0,0,0,0,0,1|2,1,0]=4 303 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [0,0,0,0,0,1|3,0,0]=4 304 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [0,0,0,0,0,1|3,0,0]=4 305 B11R0.30 CC(C)CCSCCNC(=O)N 62a_100000210312_200000034859 [0,0,0,0,0,1|3,0,0]=4 306 B11R0.30 CC(C)CCSCCNC(=O)N 62a_200000034859_100000210312 [0,0,0,0,0,1|3,0,0]=4 307 B11R0.30 CC(C)CCSCCOC(=O)N 62a_100000210312_200011214921 [0,0,0,0,0,1|2,1,0]=4 308 B11R0.30 CC(C)CCSCCOC(=O)N 62a_200011214921_100000210312 [0,0,0,0,0,1|2,1,0]=4 309 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [0,0,0,0,0,1|3,0,0]=4 310 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [0,0,0,0,0,1|3,0,0]=4 311 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [0,0,0,0,0,1|3,0,0]=4 312 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [0,0,0,0,0,1|3,0,0]=4 313 B11R0.30 CC(C)CSCCCCN(C)C 62a_100000210624_100000690147 [0,0,0,0,0,1|2,0,1]=4 314 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [0,0,0,0,0,1|3,0,0]=4 315 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [0,0,0,0,0,1|3,0,0]=4 316 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [0,0,0,0,0,1|3,0,0]=4 317 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [0,0,0,0,0,1|3,0,0]=4 318 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [0,0,0,0,0,1|3,0,0]=4 319 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [0,0,0,0,0,1|3,0,0]=4 320 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [0,0,0,0,0,1|3,0,0]=4 321 B11R0.30 CC(C)SCCOCCN(C)C 7a_200011212901_100000755713 [0,0,0,0,0,1|2,0,1]=4 322 B11R0.30 CC(C)SCCSCCN(C)C 62a_100000730970_100000755713 [0,0,0,0,0,1|2,0,1]=4 323 B11R0.30 CC(O)CSCCCCN(C)C 62a_100011218427_100000690147 [0,0,0,0,0,1|2,0,1]=4 324 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [0,0,0,0,0,1|3,0,0]=4 325 B11R0.30 CN(C)CCCCSCC(=O)N 62a_100000747473_100000690147 [0,0,0,0,0,1|1,0,0]=2 326 B11R0.30 CN(C)CCCCSCC(=O)[O-] 62a_100020667443_100000690147 [0,0,0,0,0,1|2,0,0]=3 327 B11R0.30 CN(C)CCCCSCC(F)F 62a_100011934356_100000690147 [0,0,0,0,0,1|2,0,1]=4 328 B11R0.30 CN(C)CCCOCCC(=O)N 7a_100000757172_100000757444 [0,0,0,0,0,1|2,0,0]=3 329 B11R0.30 CN(C)CCCSCCC(=O)N 62a_100000744528_100000757444 [0,0,0,0,0,1|2,0,0]=3 330 B11R0.30 CN(C)CCOCCOC(=O)N 7a_100000766696_100000755713 [0,0,0,0,0,1|1,1,0]=3 331 B11R0.30 CN(C)CCSCCC=C(F)F 62a_200009816681_100000755713 [0,0,0,0,0,1|3,0,0]=4 332 B11R0.30 CN(C)CCSCCCC(=O)N 62a_100102525003_100000755713 [0,0,0,0,0,1|2,0,0]=3 333 B11R0.30 CN(C)CCSCCNC(=O)N 62a_200000034859_100000755713 [0,0,0,0,0,1|2,0,0]=3 334 B11R0.30 CN(C)CCSCCOC(=O)N 62a_200011214921_100000755713 [0,0,0,0,0,1|1,1,0]=3 335 B11R0.30 C[C@@H](O)CSCCCCN(C)C 62a_100009817552_100000690147 [0,0,0,0,0,1|2,0,1]=4 336 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|2,0,0]=4 337 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|2,0,0]=4 338 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|2,0,0]=4 339 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|2,0,0]=4 340 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|2,0,0]=4 341 B8R0.7 C#CCCCCN(C)C 2230a_100102631434_100010269958 [2,0,0,0,0,0|1,0,1]=4 342 B8R0.7 C#CCCCCN(C)C 269982a_100102631434_100010269958 [2,0,0,0,0,0|1,0,1]=4 343 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [2,0,0,0,0,0|1,0,0]=3 344 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [2,0,0,0,0,0|1,0,0]=3 345 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [2,0,0,0,0,0|1,0,0]=3 346 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [2,0,0,0,0,0|1,0,0]=3 347 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [2,0,0,0,0,0|1,0,0]=3 348 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [2,0,0,0,0,0|1,0,0]=3 349 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [2,0,0,0,0,0|2,0,0]=4 350 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [2,0,0,0,0,0|1,0,1]=4 351 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [2,0,0,0,0,0|1,0,1]=4 352 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|1,0,1]=4 353 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|1,0,1]=4 354 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|1,0,1]=4 355 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|1,0,1]=4 356 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|1,0,1]=4 357 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|1,0,1]=4 358 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [2,0,0,0,0,0|1,0,1]=4 359 B8R0.7 CN(C)CCCCC#N 2230a_100102631434_100000211819 [2,0,0,0,0,0|0,0,2]=4 360 B8R0.7 CN(C)CCCCC#N 269982a_100102631434_100011219923 [2,0,0,0,0,0|0,0,2]=4 361 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [2,0,0,0,0,0|1,0,0]=3 362 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [2,0,0,0,0,0|1,0,0]=3 363 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [2,0,0,0,0,0|1,0,1]=4 364 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [2,0,0,0,0,0|1,0,1]=4 365 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [2,0,0,0,0,0|1,0,1]=4 366 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [2,0,0,0,0,0|1,0,1]=4 367 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [2,0,0,0,0,0|1,0,1]=4 368 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [2,0,0,0,0,0|1,0,1]=4 369 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [2,0,0,0,0,0|0,0,1]=3 370 B8R0.7 CN(C)CCCSCF 62a_100015361967_100000757444 [2,0,0,0,0,0|1,0,1]=4 371 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [2,0,0,0,0,0|2,0,0]=4 372 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [2,0,0,0,0,0|1,0,1]=4 373 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [2,0,0,0,0,0|1,0,1]=4 374 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|2,0,0]=4 375 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|2,0,0]=4 376 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|1,0,0]=3 377 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 378 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [2,0,0,0,0,0|2,0,0]=4 379 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 380 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [2,0,0,0,0,0|2,0,0]=4 381 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [2,0,0,0,0,0|2,0,0]=4 382 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [2,0,0,0,0,0|2,0,0]=4 383 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 384 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 385 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [2,0,0,0,0,0|0,1,1]=4 386 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [2,0,0,0,0,0|0,1,1]=4 387 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [2,0,0,0,0,0|1,0,1]=4 388 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [2,0,0,0,0,0|1,0,1]=4 389 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [2,0,0,0,0,0|0,0,1]=3 390 B8R0.7 CSCSCCN(C)C 62a_100011218213_100000755713 [2,0,0,0,0,0|1,0,1]=4 391 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|1,0,0]=3 392 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 393 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 394 B10R0.4 C#CCSCCCCN(C)C 62a_100000038162_100000690147 [1,1,0,0,0,0|1,0,1]=4 395 B10R0.4 C/C=C/CSCCCN(C)C 62a_100102629194_100000757444 [1,1,0,0,0,0|2,0,0]=4 396 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [1,1,0,0,0,0|2,0,0]=4 397 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [1,1,0,0,0,0|2,0,0]=4 398 B10R0.4 C=CCCCOCCN(C)C 7a_100000758997_100000755713 [1,1,0,0,0,0|2,0,0]=4 399 B10R0.4 C=CCCCSCCN(C)C 62a_100011713584_100000755713 [1,1,0,0,0,0|2,0,0]=4 400 B10R0.4 C=CCCSCCCN(C)C 62a_100000754431_100000757444 [1,1,0,0,0,0|2,0,0]=4 401 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [1,1,0,0,0,0|2,0,0]=4 402 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [1,1,0,0,0,0|2,0,0]=4 403 B10R0.4 C=CCSCCCCN(C)C 62a_100000210623_100000690147 [1,1,0,0,0,0|1,0,0]=3 404 B10R0.4 C=COCCSCCN(C)C 62a_100000039644_100000755713 [1,1,0,0,0,0|1,1,0]=4 405 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [1,1,0,0,0,0|2,0,0]=4 406 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [1,1,0,0,0,0|2,0,0]=4 407 B10R0.4 CC=CCSCCCN(C)C 62a_100000070051_100000757444 [1,1,0,0,0,0|2,0,0]=4 408 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,1,0,0,0,0|2,0,0]=4 409 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,1,0,0,0,0|2,0,0]=4 410 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [1,1,0,0,0,0|1,0,1]=4 411 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,1,0,0,0,0|2,0,0]=4 412 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,1,0,0,0,0|2,0,0]=4 413 B10R0.4 CCSCCOCCN(C)C 7a_100000212035_100000755713 [1,1,0,0,0,0|1,0,1]=4 414 B10R0.4 CCSCCSCCN(C)C 62a_100000757381_100000755713 [1,1,0,0,0,0|1,0,1]=4 415 B10R0.4 CN(C)CCCCSCC#N 62a_100011215382_100000690147 [1,1,0,0,0,0|0,0,2]=4 416 B10R0.4 CN(C)CCCCSCC=O 62a_200015260668_100000690147 [1,1,0,0,0,0|1,0,0]=3 417 B10R0.4 CN(C)CCCCSCCF 62a_100011217306_100000690147 [1,1,0,0,0,0|1,0,1]=4 418 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [1,1,0,0,0,0|1,0,1]=4 419 B10R0.4 CN(C)CCCSCSC#N 62a_100000211825_100000757444 [1,1,0,0,0,0|0,0,2]=4 420 B10R0.4 CN(C)CCSCCCC=O 62a_200011292268_100000755713 [1,1,0,0,0,0|2,0,0]=4 421 B10R0.4 CN(C)CCSCCSC#N 62a_100000034367_100000755713 [1,1,0,0,0,0|0,0,2]=4 422 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [1,1,0,0,0,0|2,0,0]=4 423 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [1,1,0,0,0,0|2,0,0]=4 424 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [1,1,0,0,0,0|2,0,0]=4 425 B10R0.4 COCSCCCCN(C)C 62a_100000766300_100000690147 [1,1,0,0,0,0|1,0,1]=4 426 B10R0.4 CSCSCCCCN(C)C 62a_100011218213_100000690147 [1,1,0,0,0,0|1,0,1]=4 427 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [1,1,0,0,0,0|2,0,0]=4 428 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [1,1,0,0,0,0|2,0,0]=4 429 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [1,1,0,0,0,0|2,0,0]=4 430 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [1,1,0,0,0,0|2,0,0]=4 431 B10R0.96 CC(=O)SCC(C)CN(C)C 2230a_100102631434_200000116872 [0,1,0,0,1,0|2,0,0]=4 432 B10R0.96 CC(=O)SCC(C)CN(C)C 269982a_100102631434_200000116872 [0,1,0,0,1,0|2,0,0]=4 433 B10R0.96 CC(CN(C)C)SCC(=O)N 62a_100000747473_100020606517 [0,1,0,0,1,0|2,0,0]=4 434 B10R0.96 CC(CN(C)C)SCC(=O)N 62a_100020606517_100000747473 [0,1,0,0,1,0|2,0,0]=4 435 B10R0.96 CN(C)CCN(C)CC(=O)N 269982a_100000225618_100000187820 [0,1,0,0,1,0|2,0,0]=4 436 B10R0.98 CC(SCCN(C)C)C(=O)N 62a_100000702099_100000755713 [0,1,0,0,1,0|2,0,0]=4 437 B10R0.98 CN(C)CCSC(F)C(=O)N 62a_100009813875_100000755713 [0,1,0,0,1,0|2,0,0]=4 438 B10R0.98 C[C@@H](OCCN(C)C)C(=O)N 7a_100000731257_100000755713 [0,1,0,0,1,0|2,0,0]=4 439 B12R0.42 CC(=O)C(C)SCCCCN(C)C 62a_100009814033_100000690147 [0,1,0,0,0,1|2,0,0]=4 440 B12R0.42 CC(C)CCCCSC(C)C(=O)N 62a_100000702099_100011216152 [0,1,0,0,0,1|2,0,0]=4 441 B12R0.42 CC(C)CCCCSC(C)C(=O)N 62a_100011216152_100000702099 [0,1,0,0,0,1|2,0,0]=4 442 B12R0.42 CC(C)CCCCSC(F)C(=O)N 62a_100009813875_100011216152 [0,1,0,0,0,1|2,0,0]=4 443 B12R0.42 CC(C)CCCCSC(F)C(=O)N 62a_100011216152_100009813875 [0,1,0,0,0,1|2,0,0]=4 444 B12R0.42 CC(SCCCCN(C)C)C(=O)N 62a_100000702099_100000690147 [0,1,0,0,0,1|1,0,0]=3 445 B12R0.42 CN(C)C(=O)CCCSCC(=O)N 62a_100000737642_100000747473 [0,1,0,0,0,1|1,0,1]=4 446 B12R0.42 CN(C)C(=O)CCCSCC(=O)N 62a_100000747473_100000737642 [0,1,0,0,0,1|1,0,1]=4 447 B12R0.42 CN(C)CCCCNC(=O)C(=O)N 240690a_100025707445_100011215815 [0,1,0,0,0,1|2,0,0]=4 448 B12R0.42 CN(C)CCCCSC(F)C(=O)N 62a_100009813875_100000690147 [0,1,0,0,0,1|1,0,0]=3 449 B12R0.42 CN(C)CCCCSC(F)C(=O)[O-] 62a_100020610796_100000690147 [0,1,0,0,0,1|2,0,0]=4 450 B12R0.44 CC(=O)SCC(=O)CCCN(C)C 1458a_100000049016_100000695564 [0,1,0,0,0,1|2,0,0]=4 451 B12R0.44 CN(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100000695564 [0,1,0,0,0,1|2,0,0]=4 452 B12R0.44 CN(C)CCCC(=O)CNC(=O)N 1458a_100000184981_100000695564 [0,1,0,0,0,1|2,0,0]=4 453 B12R0.44 CN(C)CCCN(C)CCC(=O)N 269982a_100000177782_200000210301 [0,1,0,0,0,1|2,0,0]=4 454 B12R0.44 CN(C)CCCN(C)CCC(=O)N 269982a_100000225831_100000744528 [0,1,0,0,0,1|2,0,0]=4 455 B12R0.44 CN(C)CCCN([13CH3])CCC(=O)N 269982a_100000177782_200025704644 [0,1,0,0,0,1|2,0,0]=4 456 B12R0.44 CN(C)CCN(C)CCCC(=O)N 269982a_100000225618_100102525003 [0,1,0,0,0,1|2,0,0]=4 457 B12R0.44 CN(C)CCN(C)CCNC(=O)N 269982a_100000225618_200000034859 [0,1,0,0,0,1|2,0,0]=4 458 B12R0.44 CN(C)CCN(C)CCOC(=O)N 269982a_100000225618_200011214921 [0,1,0,0,0,1|1,1,0]=4 459 B12R0.44 CN(C)CCNC(=O)CSC(=O)N 240690a_100000210585_200015941356 [0,1,0,0,0,1|1,0,1]=4 460 B12R0.137 CN(C)CCCCSCS(=O)(=O)N 62a_100000741382_100000690147 [0,1,0,0,0,1|2,0,0]=4 461 B12R0.184 CC(C)CCCOCCC(=NO)N 34a_100000749954_100011214892 [0,1,0,0,0,1|2,0,0]=4 462 B12R0.184 CCC(=O)CSCCCCN(C)C 62a_100000747405_100000690147 [0,1,0,0,0,1|2,0,0]=4 463 B12R0.184 CCN(C)CCCOCCC(=O)N 7a_100000757172_100015186262 [0,1,0,0,0,1|2,0,0]=4 464 B12R0.184 CCN(C)CCCSCCC(=O)N 62a_100000744528_100015186262 [0,1,0,0,0,1|2,0,0]=4 465 B12R0.184 CNC(=O)CCCSCCN(C)C 62a_100000741757_100000755713 [0,1,0,0,0,1|2,0,0]=4 466 B12R0.184 CNC(=O)CCSCCCN(C)C 62a_100000737683_100000757444 [0,1,0,0,0,1|2,0,0]=4 467 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100000183359_100011216152 [0,1,0,0,0,1|2,0,0]=4 468 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100011216152_100000183359 [0,1,0,0,0,1|2,0,0]=4 469 B12R0.184 CNC(=O)CSCCCCN(C)C 62a_100000183359_100000690147 [0,1,0,0,0,1|1,0,0]=3 470 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100020635752_106832991635 [0,1,0,0,0,1|2,0,0]=4 471 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100102657272_100020635752 [0,1,0,0,0,1|2,0,0]=4 472 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100020635752_100102657272 [0,1,0,0,0,1|2,0,0]=4 473 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100102657272_100020635752 [0,1,0,0,0,1|2,0,0]=4 474 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_100020635752_100102657272 [0,1,0,0,0,1|2,0,0]=4 475 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_106832991638_100020635752 [0,1,0,0,0,1|2,0,0]=4 476 B12R0.184 CNC(=O)NCCOCCN(C)C 2708a_100102657272_200153394208 [0,1,0,0,0,1|2,0,0]=4 477 B12R0.184 CNC(=O)NCCOCCN(C)C 2708a_200153394208_106832991635 [0,1,0,0,0,1|2,0,0]=4 478 B12R0.184 CNC(=O)NCCOCCN(C)C 273464a_100102657272_200153394208 [0,1,0,0,0,1|2,0,0]=4 479 B12R0.184 CNC(=O)NCCOCCN(C)C 273464a_200153394208_100102657272 [0,1,0,0,0,1|2,0,0]=4 480 B12R0.184 CNC(=O)OCCSCCN(C)C 62a_200011997002_100000755713 [0,1,0,0,0,1|1,1,0]=4 481 B12R0.184 COC(=O)CSCCCCN(C)C 62a_100000747449_100000690147 [0,1,0,0,0,1|2,0,0]=4 482 B12R0.270 CC(=O)SCCCC(=O)CN(C)C 1458a_100000750896_100000038929 [0,1,0,0,0,1|2,0,0]=4 483 B12R0.270 CC(CN(C)C)SCCCC(=O)N 62a_100020606517_100102525003 [0,1,0,0,0,1|2,0,0]=4 484 B12R0.270 CC(CN(C)C)SCCCC(=O)N 62a_100102525003_100020606517 [0,1,0,0,0,1|2,0,0]=4 485 B12R0.270 CC(CN(C)C)SCCNC(=O)N 62a_100020606517_200000034859 [0,1,0,0,0,1|2,0,0]=4 486 B12R0.270 CC(CN(C)C)SCCNC(=O)N 62a_200000034859_100020606517 [0,1,0,0,0,1|2,0,0]=4 487 B12R0.270 CC(CN(C)C)SCCOC(=O)N 62a_100020606517_200011214921 [0,1,0,0,0,1|1,1,0]=4 488 B12R0.270 CC(CN(C)C)SCCOC(=O)N 62a_200011214921_100020606517 [0,1,0,0,0,1|1,1,0]=4 489 B12R0.270 CC(COCCC(=O)N)CN(C)C 7a_100000757172_100015348159 [0,1,0,0,0,1|2,0,0]=4 490 B12R0.270 CC(CSCCC(=O)N)CN(C)C 62a_100000744528_100015348159 [0,1,0,0,0,1|2,0,0]=4 491 B12R0.270 CC(CSCCC(=O)N)CN(C)C 62a_100015348159_100000744528 [0,1,0,0,0,1|2,0,0]=4 492 B12R0.35 CCN(CC)CCCCCC(=O)N 2230a_100000724800_100009817443 [0,2,0,0,0,0|2,0,0]=4 493 B12R0.35 CCN(CC)CCCCCC(=O)N 269956a_100000042499_100009817443 [0,2,0,0,0,0|2,0,0]=4 494 B12R0.35 CCN(CC)CCCCCC(=O)N 269982a_100000724800_100009817443 [0,2,0,0,0,0|2,0,0]=4 495 B12R0.35 CCN(CC)CCCCSC(=O)C 2230a_100000724800_200010402107 [0,2,0,0,0,0|2,0,0]=4 496 B12R0.35 CCN(CC)CCCCSC(=O)C 269956a_100000042499_200010402107 [0,2,0,0,0,0|2,0,0]=4 497 B12R0.35 CCN(CC)CCCCSC(=O)C 269982a_100000724800_200010402107 [0,2,0,0,0,0|2,0,0]=4 498 B12R0.277 C#CCN(C)CCCCCC(=O)N 2230a_100000225692_100009817443 [0,2,0,0,0,0|2,0,0]=4 499 B12R0.277 C#CCN(C)CCCCCC(=O)N 34a_100000225692_100009817443 [0,2,0,0,0,0|2,0,0]=4 500 B12R0.277 C#CCN(C)CCCCSC(=O)C 2230a_100000225692_200010402107 [0,2,0,0,0,0|2,0,0]=4 501 B12R0.277 C#CCN(C)CCCCSC(=O)C 34a_100000225692_200010402107 [0,2,0,0,0,0|2,0,0]=4 502 B12R0.277 C=CCN(C)CCCCCC(=O)N 2230a_100000225617_100009817443 [0,2,0,0,0,0|2,0,0]=4 503 B12R0.277 C=CCN(C)CCCCCC(=O)N 269982a_100000225617_100009817443 [0,2,0,0,0,0|2,0,0]=4 504 B12R0.277 C=CCN(C)CCCCSC(=O)C 2230a_100000225617_200010402107 [0,2,0,0,0,0|2,0,0]=4 505 B12R0.277 C=CCN(C)CCCCSC(=O)C 269982a_100000225617_200010402107 [0,2,0,0,0,0|2,0,0]=4 506 B12R0.277 CC(=O)SCCCCN(C)CC#N 2230a_100000748184_200010402107 [0,2,0,0,0,0|2,0,0]=4 507 B12R0.277 CC(=O)SCCCCN(C)CCO 2230a_100000210263_200010402107 [0,2,0,0,0,0|2,0,0]=4 508 B12R0.277 CC(=O)SCCCCN(C)CCO 269982a_100000210263_200010402107 [0,2,0,0,0,0|2,0,0]=4 509 B12R0.277 CCCN(C)CCCCCC(=O)N 2230a_100000747261_100009817443 [0,2,0,0,0,0|2,0,0]=4 510 B12R0.277 CCCN(C)CCCCCC(=O)N 269982a_100000747261_100009817443 [0,2,0,0,0,0|2,0,0]=4 511 B12R0.277 CCCN(C)CCCCSC(=O)C 2230a_100000747261_200010402107 [0,2,0,0,0,0|2,0,0]=4 512 B12R0.277 CCCN(C)CCCCSC(=O)C 269982a_100000747261_200010402107 [0,2,0,0,0,0|2,0,0]=4 513 B12R0.277 CCNC(=O)NCCCCN(C)C 2708a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 514 B12R0.277 CCNC(=O)NCCCCN(C)C 2708a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 515 B12R0.277 CCNC(=O)NCCCCN(C)C 273464a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 516 B12R0.277 CCNC(=O)NCCCCN(C)C 273464a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 517 B12R0.277 CCNC(=O)NCCCCN(C)C 512a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 518 B12R0.277 CCNC(=O)NCCCCN(C)C 512a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 519 B12R0.277 CN(CC#N)CCCCCC(=O)N 2230a_100000748184_100009817443 [0,2,0,0,0,0|2,0,0]=4 520 B12R0.277 CN(CCO)CCCCCC(=O)N 2230a_100000210263_100009817443 [0,2,0,0,0,0|2,0,0]=4 521 B12R0.277 CN(CCO)CCCCCC(=O)N 269982a_100000210263_100009817443 [0,2,0,0,0,0|2,0,0]=4 522 B12R0.277 CNNC(=O)NCCCCN(C)C 273464a_100025707445_100016993582 [0,2,0,0,0,0|2,0,0]=4 523 B12R0.277 CNNC(=O)NCCCCN(C)C 512a_100016993582_100025707445 [0,2,0,0,0,0|2,0,0]=4 524 B12R0.277 CNNC(=O)NCCCCN(C)C 512a_100025707445_100016993582 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.16 CCSCC1CCN(C1)C 62a_100000210202_200000690779 [1,0,0,1,0,0|1,0,1]=4 526 B10R1.16 CCSCC1CCN(C1)C 62a_200000690779_100000210202 [1,0,0,1,0,0|1,0,1]=4 527 B10R1.16 CN1CCC(C1)CSCF 62a_100015361967_200000690779 [1,0,0,1,0,0|1,0,1]=4 528 B10R1.16 CN1CCC(C1)CSCF 62a_200000690779_100015361967 [1,0,0,1,0,0|1,0,1]=4 529 B10R1.18 CN(C)CC1CC=CCC1 270004a_100102631434_100000189434 [1,0,0,1,0,0|2,0,0]=4 530 B10R1.18 CN(C)CC1CCSCC1 2230a_100011935259_200000210301 [1,0,0,1,0,0|1,0,1]=4 531 B10R1.18 CN(C)CC1CCSCC1 269982a_100011935259_200000210301 [1,0,0,1,0,0|1,0,1]=4 532 B10R1.18 CN(C)CC1CCSCC1 270004a_100102631434_100000067145 [1,0,0,1,0,0|1,0,1]=4 533 B10R1.18 CN(C)CC1CCSCC1 34a_100011935259_200000210301 [1,0,0,1,0,0|1,0,1]=4 534 B10R1.18 CN([13CH3])CC1CCSCC1 2230a_100011935259_200025704644 [1,0,0,1,0,0|1,0,1]=4 535 B10R1.18 CN([13CH3])CC1CCSCC1 269982a_100011935259_200025704644 [1,0,0,1,0,0|1,0,1]=4 536 B10R1.18 CN([13CH3])CC1CCSCC1 34a_100011935259_200025704644 [1,0,0,1,0,0|1,0,1]=4 537 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [1,0,0,1,0,0|2,0,0]=4 538 B10R1.61 CN(C)C1CCCNC1=O 2230a_100102631434_100000687798 [1,0,0,1,0,0|2,0,0]=4 539 B10R1.61 CN(C)C1CCCNC1=O 269982a_100102631434_100000687798 [1,0,0,1,0,0|2,0,0]=4 540 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 541 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 542 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 543 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 544 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 545 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 546 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [1,0,0,1,0,0|2,0,0]=4 547 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [1,0,0,1,0,0|2,0,0]=4 548 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,0,0,1,1,0|2,0,0]=4 549 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [0,0,0,1,1,0|1,0,0]=3 550 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [0,0,0,1,1,0|1,0,0]=3 551 B10R1.54 CN(C)C[C@H]1COC(=O)N1 2230a_100102631434_100015307671 [0,0,0,1,1,0|1,1,0]=4 552 B10R1.54 CN(C)C[C@H]1COC(=O)N1 269982a_100102631434_100015307671 [0,0,0,1,1,0|1,1,0]=4 553 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,0,0,1,1,0|2,0,0]=4 554 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,0,0,1,1,0|2,0,0]=4 555 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,0,0,1,1,0|2,0,0]=4 556 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,0,0,1,1,0|1,0,0]=3 557 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,0,0,1,1,0|1,0,0]=3 558 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,0,0,1,1,0|1,0,0]=3 559 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,0,0,1,1,0|2,0,0]=4 560 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,0,0,1,1,0|2,0,0]=4 561 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,0,0,1,1,0|2,0,0]=4 562 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,0,0,1,1,0|1,0,0]=3 563 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,0,0,1,1,0|1,0,0]=3 564 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,0,0,1,1,0|1,0,0]=3 565 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,0,0,1,1,0|2,0,0]=4 566 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,0,0,1,1,0|2,0,0]=4 567 B12R1.105 C=C(C)CSCC1CCN(C1)C 62a_100000748629_200000690779 [0,0,0,1,0,1|2,0,0]=4 568 B12R1.105 C=C(C)CSCC1CCN(C1)C 62a_200000690779_100000211660 [0,0,0,1,0,1|2,0,0]=4 569 B12R1.105 C=C(F)CSCC1CCN(C1)C 62a_100000042424_200000690779 [0,0,0,1,0,1|2,0,0]=4 570 B12R1.105 C=C(F)CSCC1CCN(C1)C 62a_200000690779_100000042424 [0,0,0,1,0,1|2,0,0]=4 571 B12R1.105 CN(C)CCSc1csc(n1)N 62a_100011998049_100000755713 [0,0,0,1,0,1|0,0,2]=4 572 B12R1.105 CN(C)CCSc1nc(cs1)N 62a_200015188442_100000755713 [0,0,0,1,0,1|1,0,1]=4 573 B12R1.105 CN1CCC(C1)CSCC(=O)N 62a_100000747473_200000690779 [0,0,0,1,0,1|1,0,0]=3 574 B12R1.105 CN1CCC(C1)CSCC(=O)N 62a_200000690779_100000747473 [0,0,0,1,0,1|1,0,0]=3 575 B12R1.105 CN1CCC(C1)CSCC(=O)[O-] 62a_100020667443_200000690779 [0,0,0,1,0,1|2,0,0]=4 576 B12R1.105 CN1CCC(C1)CSCC(=O)[O-] 62a_200000690779_100020667443 [0,0,0,1,0,1|2,0,0]=4 577 B12R1.105 CN1CCC(C1)OCCC(=O)N 7a_100000757172_200012183744 [0,0,0,1,0,1|2,0,0]=4 578 B12R1.105 CN1CCC(C1)SCCC(=O)N 62a_100000744528_200012183744 [0,0,0,1,0,1|2,0,0]=4 579 B12R1.226 CN1CCCC(C1)CCC(=O)N 2230a_100011533967_200000210301 [0,0,0,1,0,1|2,0,0]=4 580 B12R1.226 CN1CCCC(C1)CCC(=O)N 269982a_100011533967_200000210301 [0,0,0,1,0,1|2,0,0]=4 581 B12R1.226 CN1CCCC(C1)CCC(=O)N 34a_100011533967_200000210301 [0,0,0,1,0,1|2,0,0]=4 582 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 2230a_100011533967_200025704644 [0,0,0,1,0,1|2,0,0]=4 583 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 269982a_100011533967_200025704644 [0,0,0,1,0,1|2,0,0]=4 584 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 34a_100011533967_200025704644 [0,0,0,1,0,1|2,0,0]=4 585 B12R1.103 CC(C)CC(=O)C1CSC(=N1)N 1458a_100000002200_100000210624 [0,1,0,1,0,0|1,0,1]=4 586 B12R1.21 CN1CCC(CC1)CCC(=O)N 2230a_100015183425_200000210301 [0,1,0,1,0,0|2,0,0]=4 587 B12R1.21 CN1CCC(CC1)CCC(=O)N 34a_100015183425_200000210301 [0,1,0,1,0,0|2,0,0]=4 588 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 2230a_100015183425_200025704644 [0,1,0,1,0,0|2,0,0]=4 589 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 34a_100015183425_200025704644 [0,1,0,1,0,0|2,0,0]=4 590 B12R1.26 CNC(=O)NCC1CCN(C1)C 2708a_100102657272_100000742581 [0,1,0,1,0,0|2,0,0]=4 591 B12R1.26 CNC(=O)NCC1CCN(C1)C 273464a_100000742581_100102657272 [0,1,0,1,0,0|2,0,0]=4 592 B12R1.26 CNC(=O)NCC1CCN(C1)C 273464a_100102657272_100000742581 [0,1,0,1,0,0|2,0,0]=4 593 B12R1.26 CNC(=O)NCC1CCN(C1)C 512a_100000742581_100102657272 [0,1,0,1,0,0|2,0,0]=4 594 B12R1.26 CNC(=O)NCC1CCN(C1)C 512a_106832991638_100000742581 [0,1,0,1,0,0|2,0,0]=4 595 B12R1.50 CNC(=O)N[C@H]1CCCN(C1)C 2708a_100016992120_106832991635 [0,1,0,1,0,0|2,0,0]=4 596 B12R1.50 CNC(=O)N[C@H]1CCCN(C1)C 2708a_100102657272_100016992120 [0,1,0,1,0,0|2,0,0]=4 597 B12R1.50 CNC(=O)N[C@H]1CCCN(C1)C 273464a_100016992120_100102657272 [0,1,0,1,0,0|2,0,0]=4 598 B12R1.50 CNC(=O)N[C@H]1CCCN(C1)C 273464a_100102657272_100016992120 [0,1,0,1,0,0|2,0,0]=4 599 B12R1.50 CNC(=O)N[C@H]1CCCN(C1)C 512a_100016992120_100102657272 [0,1,0,1,0,0|2,0,0]=4 600 B12R1.50 CNC(=O)N[C@H]1CCCN(C1)C 512a_106832991638_100016992120 [0,1,0,1,0,0|2,0,0]=4 601 B12R1.257 CC(=O)SCCCCN1CCC1 269982a_100000754969_200010402107 [0,1,0,1,0,0|2,0,0]=4 602 B12R1.257 NC(=O)CCCCCN1CCC1 269982a_100000754969_100009817443 [0,1,0,1,0,0|2,0,0]=4 603 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,2,0|2,0,0]=4 604 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,2,0|2,0,0]=4 605 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,0,0,2,0|1,0,0]=3 606 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,2,0|2,0,0]=4 607 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,0,0,0,2,0|2,0,0]=4 608 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,0,0,0,2,0|2,0,0]=4 609 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,0,0,0,2,0|1,1,0]=4 610 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,2,0|2,0,0]=4 611 B12R0.268 C=C(C)CCSCCCCN(C)C 62a_100000730704_100000690147 [0,0,0,0,0,2|2,0,0]=4 612 B12R0.268 CC(=CCSCCCCN(C)C)C 62a_100000761012_100000690147 [0,0,0,0,0,2|2,0,0]=4 613 B12R0.268 CC(=O)CCSCCCCN(C)C 62a_100000053229_100000690147 [0,0,0,0,0,2|2,0,0]=4 614 B12R0.268 CC(=O)OCSCCCCN(C)C 62a_100000076356_100000690147 [0,0,0,0,0,2|2,0,0]=4 615 B12R0.268 CC(=O)SCCCSCCN(C)C 62a_100000038929_100000755713 [0,0,0,0,0,2|2,0,0]=4 616 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [0,0,0,0,0,2|2,0,0]=4 617 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [0,0,0,0,0,2|2,0,0]=4 618 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [0,0,0,0,0,2|2,0,0]=4 619 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [0,0,0,0,0,2|2,0,0]=4 620 B12R0.268 CN(C)CCCCSCCC(=O)N 62a_100000744528_100000690147 [0,0,0,0,0,2|1,0,0]=3 621 B12R0.268 CN(C)CCCOCCOC(=O)N 7a_100000766696_100000757444 [0,0,0,0,0,2|1,1,0]=4 622 B12R0.268 CN(C)CCCSCCCC(=O)N 62a_100102525003_100000757444 [0,0,0,0,0,2|2,0,0]=4 623 B12R0.268 CN(C)CCCSCCNC(=O)N 62a_200000034859_100000757444 [0,0,0,0,0,2|2,0,0]=4 624 B12R0.268 CN(C)CCCSCCOC(=O)N 62a_200011214921_100000757444 [0,0,0,0,0,2|1,1,0]=4 625 B12R0.268 CN(C)CCOCCCCC(=O)N 7a_100012022536_100000755713 [0,0,0,0,0,2|2,0,0]=4 626 B12R0.268 CN(C)CCSCCOCC(=O)N 62a_100000076697_100000755713 [0,0,0,0,0,2|1,1,0]=4