0 B11R0.6 C=C(C)CN(C)CCC=C(C)C 2230a_100000225649_100011217483 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.6 C=C(C)CN(C)CCC=C(C)C 269982a_100000225649_100011217483 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,0,0,0,0,0|1,0,0]=1 3 B11R0.6 CC(=CCCC(=O)C=C(C)C)C 1458a_100000211388_100011217483 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.6 CC(=CCCC(=O)C=C(C)Cl)C 1458a_200042562850_100011217483 [0,0,0,0,0,0|3,0,0]=3 5 B11R0.6 CC(=CCCC(=O)C=C(C)I)C 1458a_100025716642_100011217483 [0,0,0,0,0,0|3,0,0]=3 6 B11R0.6 CC(=CCCC(=O)C=C(Cl)Cl)C 1458a_100000137448_100011217483 [0,0,0,0,0,0|3,0,0]=3 7 B11R0.6 CC(=CCCC(=O)CC(=O)N)C 1458a_100134613110_100011217483 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.6 CC(=CCCC(=O)C[C@@H](C)O)C 1458a_100011933948_100011217483 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.6 CC(=CCCN(C)CC(=O)N)C 2230a_100000739694_100011217483 [0,0,0,0,0,0|2,0,1]=3 11 B11R0.6 CC(=CCCN(C)CC(=O)O)C 269956a_100000746989_100011217483 [0,0,0,0,0,0|1,0,1]=2 12 B11R0.6 CC(=CCCN(C)CC(C)O)C 2230a_100000227577_100011217483 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.6 CC(=CCCN(C)CC(C)O)C 269982a_100000227577_100011217483 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.6 CC(=CCNC(=O)C=C(C)C)C 11a_100000718196_100000211388 [0,0,0,0,0,0|4,0,0]=4 15 B11R0.6 CC(=CCNC(=O)C=C(C)C)C 1626a_100000718196_100000211388 [0,0,0,0,0,0|4,0,0]=4 16 B11R0.6 CC(=CCNC(=O)C=C(C)Cl)C 11a_100000718196_200042562850 [0,0,0,0,0,0|4,0,0]=4 17 B11R0.6 CC(=CCNC(=O)C=C(C)Cl)C 1626a_100000718196_200042562850 [0,0,0,0,0,0|4,0,0]=4 18 B11R0.6 CC(=CCNC(=O)C=C(C)I)C 11a_100000718196_100025716642 [0,0,0,0,0,0|4,0,0]=4 19 B11R0.6 CC(=CCNC(=O)C=C(C)I)C 1626a_100000718196_100025716642 [0,0,0,0,0,0|4,0,0]=4 20 B11R0.6 CC(=CCNC(=O)C=C(Cl)Cl)C 1626a_100000718196_100000137448 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.6 CC(=CCNC(=O)CC(=O)N)C 527a_100000718196_100134613110 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.6 CC(=CCOC(C)C=C(C)C)C 34a_100000717055_100000761012 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,0,0,0,0,0|1,0,0]=1 24 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,0,0,0,0,0|1,0,2]=3 25 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.6 CC(=O)NCCN(C)CC(=O)O 269956a_100000746989_100000189650 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100000761012_100009818208 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100009818208_100000761012 [0,0,0,0,0,0|3,0,1]=4 29 B11R0.6 CC(=O)OCCN(C)CC(=O)O 269956a_100000746989_100009814007 [0,0,0,0,0,0|3,0,1]=4 30 B11R0.6 CC(C)CCCN(C)CC(=O)O 269956a_100000746989_100011214892 [0,0,0,0,0,0|1,0,3]=4 31 B11R0.6 CC(C)OCCN(C)CC(=O)O 269956a_100000746989_100000211751 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.6 CC(C)SCCN(C)CC(=O)O 269956a_100000746989_100000730970 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.6 CN(C)CCCN(C)CC(=O)O 269956a_100000746989_100000757444 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.6 CN(CCC=C(F)F)CC(=O)O 269956a_100000746989_200009816681 [0,0,0,0,0,0|3,0,1]=4 35 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [1,0,0,0,0,0|2,0,1]=4 36 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [1,0,0,0,0,0|2,0,1]=4 37 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [1,0,0,0,0,0|2,0,1]=4 39 B10R0.3 CC(=CCCC(=O)C=CBr)C 1458a_100016273825_100011217483 [1,0,0,0,0,0|2,0,0]=3 40 B10R0.3 CC(=CCCC(=O)C=CCl)C 1458a_200016279998_100011217483 [1,0,0,0,0,0|2,0,0]=3 41 B10R0.3 CC(=CCCC(=O)C=CI)C 1458a_100016256311_100011217483 [1,0,0,0,0,0|2,0,0]=3 42 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [1,0,0,0,0,0|1,0,2]=4 43 B10R0.3 CC(=CCCN(C)CCO)C 2230a_100000210263_100011217483 [1,0,0,0,0,0|1,0,2]=4 44 B10R0.3 CC(=CCCN(C)CCO)C 269982a_100000210263_100011217483 [1,0,0,0,0,0|1,0,2]=4 45 B10R0.3 CC(=CCNC(=O)C=CBr)C 1626a_100000718196_100016273825 [1,0,0,0,0,0|3,0,0]=4 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[1,0,0,0,0,0|1,0,2]=4 58 B10R0.97 CC(=CCNOCC(=O)O)C 269956a_100000106656_100000761012 [1,0,0,0,0,0|2,0,1]=4 59 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [1,0,0,0,0,0|2,0,1]=4 60 B12R0.240 CC(=CCCC(=CC(=O)CF)C)C 1458a_100016995320_100015361967 [0,1,0,0,0,0|1,0,0]=2 61 B12R0.240 CC(=CCCC(C)CC(=O)CF)C 1458a_100000043202_100015361967 [0,1,0,0,0,0|1,0,2]=4 62 B12R0.240 CCC(=CC(=O)CCC=C(C)C)C 1458a_100020758463_100011217483 [0,1,0,0,0,0|3,0,0]=4 63 B12R0.240 CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000210202 [0,1,0,0,0,0|1,0,0]=2 64 B12R0.240 CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000210202 [0,1,0,0,0,0|1,0,2]=4 65 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 11a_106832991635_100016995320 [0,1,0,0,0,0|1,0,0]=2 66 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 1626a_100102657272_100016995320 [0,1,0,0,0,0|1,0,0]=2 67 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 240690a_100102657272_100016995320 [0,1,0,0,0,0|1,0,0]=2 68 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 11a_106832991635_100000043202 [0,1,0,0,0,0|1,0,2]=4 69 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 1626a_100102657272_100000043202 [0,1,0,0,0,0|1,0,2]=4 70 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 240690a_100102657272_100000043202 [0,1,0,0,0,0|1,0,2]=4 71 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 527a_100102657272_100000043202 [0,1,0,0,0,0|1,0,2]=4 72 B12R0.240 CNC(=O)CN(C)CCC=C(C)C 2230a_100000189611_100011217483 [0,1,0,0,0,0|2,0,1]=4 73 B12R0.240 COC(=O)CC(=O)CCC=C(C)C 1458a_100000211351_100011217483 [0,1,0,0,0,0|1,0,1]=3 74 B12R0.240 COC(=O)CC(C)NCC=C(C)C 34a_100000718196_100009817358 [0,1,0,0,0,0|1,0,2]=4 75 B12R0.240 COC(=O)CC(C)OCC=C(C)C 34a_100000753907_100009817358 [0,1,0,0,0,0|1,0,2]=4 76 B12R0.240 COC(=O)CC(C)SCC=C(C)C 62a_100000761012_100009817358 [0,1,0,0,0,0|1,0,2]=4 77 B12R0.240 COC(=O)CC(C)SCC=C(C)C 62a_100009817358_100000761012 [0,1,0,0,0,0|1,0,2]=4 78 B12R0.240 COC(=O)CN(C)CCC=C(C)C 2230a_100000198492_100011217483 [0,1,0,0,0,0|1,0,1]=3 79 B12R0.535 CC(=CCCN(CO)CC(=O)[O-])C 269956a_100016989150_100011217483 [0,1,0,0,0,0|1,0,2]=4 80 B12R0.535 CC(=CCN[C@H](CO)CC(=O)O)C 269956a_100009816507_100000761012 [0,1,0,0,0,0|1,0,2]=4 81 B12R0.535 CCN(CCC=C(C)C)CC(=O)O 269956a_100000746405_100011217483 [0,1,0,0,0,0|1,0,1]=3 82 B12R0.535 CC[C@H](CC(=O)O)NCC=C(C)C 269956a_100016995926_100000761012 [0,1,0,0,0,0|1,0,2]=4 83 B12R0.686 CC(=CCCN(C)C(C)C(=O)O)C 269956a_100000749554_100011217483 [0,1,0,0,0,0|1,0,1]=3 84 B12R0.687 CN(CCC(=O)N(C)C)CC(=O)O 269956a_100000746989_100000737620 [0,1,0,0,0,0|2,0,1]=4 85 B12R0.697 CC(=CCNC(C)(C)CC(=O)O)C 269956a_100000755897_100000761012 [0,1,0,0,0,0|1,0,2]=4 86 B12R1.101 CC(=Cc1cc(cc(c1)O)C)C 271570a_100102525489_100011999630 [0,0,0,1,0,0|1,0,2]=4 87 B12R1.105 C=C(C)COCC1=CC(=O)OC1 34a_100000210245_100000716558 [0,0,0,1,0,0|1,0,2]=4 88 B12R1.105 C=C(C)CSCC1=CC(=O)OC1 62a_100000716558_100000211660 [0,0,0,1,0,0|1,0,2]=4 89 B12R1.105 C=C(C)CSCC1=CC(=O)OC1 62a_100000748629_100000716558 [0,0,0,1,0,0|1,0,2]=4 90 B12R1.105 CC(=CCCN1CNC(=O)C1)C 2230a_200000708111_100011217483 [0,0,0,1,0,0|2,0,1]=4 91 B12R1.105 CC(=CCNC1COC(=O)O1)C 34a_100000718196_100000032252 [0,0,0,1,0,0|2,0,1]=4 92 B12R1.105 CC(=CCOC1COC(=O)O1)C 34a_100000753907_100000032252 [0,0,0,1,0,0|2,0,1]=4 93 B12R1.105 CC(=CCSC1COC(=O)O1)C 62a_100000761012_100000032252 [0,0,0,1,0,0|2,0,1]=4 94 B12R1.105 CC(=CCSc1cc(on1)C)C 62a_100000716708_100000761012 [0,0,0,1,0,0|3,0,0]=4 95 B12R1.105 CC(=CCSc1cc(on1)C)C 62a_100000761012_100000716708 [0,0,0,1,0,0|3,0,0]=4 96 B12R1.105 CC(=O)COCC1=CC(=O)OC1 34a_100000211253_100000716558 [0,0,0,1,0,0|2,0,1]=4 97 B12R1.105 CC(C)CNCC1=CC(=O)OC1 34a_100000210953_100000716558 [0,0,0,1,0,0|1,0,2]=4 98 B12R1.105 CC(C)COCC1=CC(=O)OC1 34a_100000210257_100000716558 [0,0,0,1,0,0|1,0,2]=4 99 B12R1.105 CC(C)CSCC1=CC(=O)OC1 62a_100000210624_100000716558 [0,0,0,1,0,0|1,0,2]=4 100 B12R1.105 CC(C)CSCC1=CC(=O)OC1 62a_100000716558_100000210760 [0,0,0,1,0,0|1,0,2]=4 101 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,0,0,0,1,0|1,0,2]=4 102 B10R0.96 CC(=CCC(=O)C=C(C)C)C 1458a_100000211388_100000761012 [0,0,0,0,1,0|3,0,0]=4 103 B10R0.96 CC(=CCC(=O)C=C(C)Cl)C 1458a_200042562850_100000761012 [0,0,0,0,1,0|3,0,0]=4 104 B10R0.96 CC(=CCC(=O)C=C(C)I)C 1458a_100025716642_100000761012 [0,0,0,0,1,0|3,0,0]=4 105 B10R0.96 CC(=CCC(=O)C=C(Cl)Cl)C 1458a_100000137448_100000761012 [0,0,0,0,1,0|3,0,0]=4 106 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100011220947_100000187820 [0,0,0,0,1,0|2,0,1]=4 107 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100134613110_100000761012 [0,0,0,0,1,0|2,0,1]=4 108 B10R0.96 CC(=CCC(=O)CC(=O)[O-])C 1458a_100011220947_100020667443 [0,0,0,0,1,0|1,0,2]=4 109 B10R0.96 CC(=CCN(C)CC(=O)N)C 2230a_100000739694_100000761012 [0,0,0,0,1,0|2,0,1]=4 110 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,0,0,0,1,0|1,0,1]=3 111 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,0,0,1,0|2,0,1]=4 112 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,0,0,0,1,0|1,0,2]=4 113 B10R0.96 CN(C)CCN(C)CC(=O)O 269956a_100000746989_100000755713 [0,0,0,0,1,0|2,0,1]=4 114 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [0,0,0,0,1,0|3,0,0]=4 115 B10R0.98 CC(=CCCC(=O)C(O)O)C 1458a_100000233687_100011217483 [0,0,0,0,1,0|1,0,2]=4 116 B10R0.98 CC(=CCCC(=O)[C@@H](C)O)C 1458a_100000717761_100011217483 [0,0,0,0,1,0|2,0,1]=4 117 B10R0.98 CC(=CCCC(=O)[C@H](C)O)C 1458a_217856618621_100011217483 [0,0,0,0,1,0|2,0,1]=4 118 B10R0.98 CC(=CCNC(C)C(=O)N)C 34a_100000718196_100000702099 [0,0,0,0,1,0|2,0,1]=4 119 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,0,0,0,1,0|1,0,1]=3 120 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 2230a_100000119354_100000761012 [0,0,0,0,1,0|2,0,1]=4 121 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 34a_100000119354_100000761012 [0,0,0,0,1,0|2,0,1]=4 122 B10R0.98 CC(=CCOC(C)C(=O)N)C 34a_100000753907_100000702099 [0,0,0,0,1,0|2,0,1]=4 123 B10R0.98 CC(=CCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100000761012 [0,0,0,0,1,0|1,0,2]=4 124 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 34a_100000731257_100000761012 [0,0,0,0,1,0|2,0,1]=4 125 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 7a_100000731257_100000761012 [0,0,0,0,1,0|2,0,1]=4 126 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000702099_100000761012 [0,0,0,0,1,0|2,0,1]=4 127 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000761012_100000702099 [0,0,0,0,1,0|2,0,1]=4 128 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [0,0,0,0,1,0|2,0,1]=4 129 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [0,0,0,0,1,0|2,0,1]=4 130 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [0,0,0,0,1,0|2,0,1]=4 131 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 2230a_100102631434_100016991246 [0,0,0,0,0,1|3,0,0]=4 132 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 269982a_100102631434_100016991246 [0,0,0,0,0,1|3,0,0]=4 133 B12R0.44 CC(=CCCC(=O)CC=C(C)C)C 1458a_100011220947_100011217483 [0,0,0,0,0,1|3,0,0]=4 134 B12R0.44 CC(=CCCC(=O)CCC(=O)N)C 1458a_100011215257_100011217483 [0,0,0,0,0,1|2,0,1]=4 135 B12R0.44 CC(=CCCC(=O)CNC(=O)N)C 1458a_100000184981_100011217483 [0,0,0,0,0,1|2,0,1]=4 136 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 34a_100102619829_100000187820 [0,0,0,0,0,1|1,0,2]=4 137 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 7a_100102619829_100000187820 [0,0,0,0,0,1|1,0,2]=4 138 B12R0.44 CC(=CCCC(C)OCC(=O)[O-])C 34a_100102619829_100020667443 [0,0,0,0,0,1|0,0,3]=4 139 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 2230a_100000730477_100011217483 [0,0,0,0,0,1|2,0,1]=4 140 B12R0.44 CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000070787_100016991246 [0,0,0,0,0,1|1,0,0]=2 141 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [0,0,0,0,0,1|1,0,2]=4 142 B12R0.44 CC(=O)NCC(=O)CCC=C(C)C 1458a_100000194580_100011217483 [0,0,0,0,0,1|2,0,1]=4 143 B12R0.44 CC(=O)NN=C(C)CCC=C(C)C 4a_100000189765_100000765506 [0,0,0,0,0,1|2,0,0]=3 144 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [0,0,0,0,0,1|2,0,1]=4 145 B12R0.44 CC(=O)SCC(=O)CCC=C(C)C 1458a_100000049016_100011217483 [0,0,0,0,0,1|2,0,1]=4 146 B12R0.270 CC(=CCCOC(C)C=C(C)C)C 34a_100000717055_100011217483 [0,0,0,0,0,1|2,0,1]=4 147 B12R0.270 CC(=CCNCC(O)CC(=O)O)C 269956a_100011218706_100000761012 [0,0,0,0,0,1|1,0,2]=4 148 B12R0.270 CC(=CCSCC(=O)NC(=O)N)C 62a_100000761012_100000182717 [0,0,0,0,0,1|3,0,0]=4 149 B12R0.270 CC(=O)NC(=O)CSCC=C(C)C 62a_100000761012_100000183797 [0,0,0,0,0,1|3,0,0]=4 150 B12R0.270 CC(=O)OC(C)SCCC=C(C)C 62a_100009818208_100011217483 [0,0,0,0,0,1|2,0,1]=4 151 B12R0.270 CC(=O)OC(C)SCCC=C(C)C 62a_100011217483_100009818208 [0,0,0,0,0,1|2,0,1]=4 152 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [2,0,0,0,0,0|1,0,0]=3 153 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [2,0,0,0,0,0|2,0,0]=4 154 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [2,0,0,0,0,0|1,0,1]=4 155 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [2,0,0,0,0,0|1,0,1]=4 156 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [2,0,0,0,0,0|1,0,1]=4 157 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [2,0,0,0,0,0|1,0,1]=4 158 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [2,0,0,0,0,0|1,0,1]=4 159 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [2,0,0,0,0,0|1,0,1]=4 160 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [2,0,0,0,0,0|1,0,1]=4 161 B11R0.145 C/C=C(\C)/C(=O)CCC=C(C)C 1458a_100020587367_100011217483 [1,1,0,0,0,0|2,0,0]=4 162 B11R0.147 C=CC=CC(=O)CCC=C(C)C 1458a_100016291481_100011217483 [1,1,0,0,0,0|2,0,0]=4 163 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [1,1,0,0,0,0|1,0,1]=4 164 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [1,1,0,0,0,0|1,0,1]=4 165 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [1,1,0,0,0,0|0,1,1]=4 166 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [1,1,0,0,0,0|0,1,1]=4 167 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [1,1,0,0,0,0|0,0,1]=3 168 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [1,1,0,0,0,0|0,0,1]=3 169 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [1,1,0,0,0,0|0,0,2]=4 170 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [1,1,0,0,0,0|0,0,2]=4 171 B11R0.147 CC=CCC(=O)CCC=C(C)C 1458a_100121576822_100011217483 [1,1,0,0,0,0|2,0,0]=4 172 B11R0.147 CCC=CC(=O)CCC=C(C)C 1458a_100000212282_100011217483 [1,1,0,0,0,0|2,0,0]=4 173 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_106832991635_100016991246 [1,1,0,0,0,0|1,0,1]=4 174 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_200000210301 [1,1,0,0,0,0|1,0,1]=4 175 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_100102657272_100016991246 [1,1,0,0,0,0|1,0,1]=4 176 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000210301 [1,1,0,0,0,0|1,0,1]=4 177 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 7a_106832991635_100016991246 [1,1,0,0,0,0|1,0,1]=4 178 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [1,1,0,0,0,0|0,0,1]=3 179 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [1,1,0,0,0,0|0,0,1]=3 180 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [1,1,0,0,0,0|0,0,1]=3 181 B11R0.147 COC=CC(=O)CCC=C(C)C 1458a_100016268678_100011217483 [1,1,0,0,0,0|1,0,0]=3 182 B11R0.147 COC=CC(=O)NCC=C(C)C 1626a_100000718196_100016268678 [1,1,0,0,0,0|2,0,0]=4 183 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [1,1,0,0,0,0|0,1,1]=4 184 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [1,1,0,0,0,0|0,1,1]=4 185 B11R0.2 CC/C=C\CCN(C)CC(=O)O 269956a_100000746989_100015370543 [1,1,0,0,0,0|1,0,1]=4 186 B11R0.29 CC(=CCCN[C@@H](C)C(=O)O)C 269956a_100000743915_100011217483 [1,1,0,0,0,0|1,0,1]=4 187 B11R0.111 COC(=O)CSCCC=C(C)C 62a_100000747449_100011217483 [1,1,0,0,0,0|1,0,1]=4 188 B11R0.111 COC(=O)CSCCC=C(C)C 62a_100011217483_100000747449 [1,1,0,0,0,0|1,0,1]=4 189 B11R0.93 COC(=O)CC(=O)CC=C(C)C 1458a_100000211351_100000761012 [0,1,0,0,1,0|1,0,1]=4 190 B11R0.93 COC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000747449 [0,1,0,0,1,0|1,0,1]=4 191 B11R0.93 COC(=O)CN(C)CC=C(C)C 2230a_100000198492_100000761012 [0,1,0,0,1,0|1,0,1]=4 192 B11R0.143 CCN(CC=C(C)C)CC(=O)O 269956a_100000746405_100000761012 [0,1,0,0,1,0|1,0,1]=4 193 B11R0.173 CC(=CCN(C)C(C)C(=O)O)C 269956a_100000749554_100000761012 [0,1,0,0,1,0|1,0,1]=4 194 B11R0.273 CC(=CCNC(CO)C(=O)O)C 269956a_100000187304_100000761012 [0,1,0,0,1,0|1,0,1]=4 195 B11R0.273 CC[C@@H](NCC=C(C)C)C(=O)O 269956a_100000747097_100000761012 [0,1,0,0,1,0|1,0,1]=4 196 B13R0.493 C#CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000211873_100016991246 [0,1,0,0,0,1|1,0,0]=3 197 B13R0.493 C=CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000185746_100016991246 [0,1,0,0,0,1|1,0,0]=3 198 B13R0.493 CC(=CCC/C(=C/CC(=O)CO)/C)C 1458a_100000210174_100016991246 [0,1,0,0,0,1|0,0,0]=2 199 B13R0.493 CC(=CCCC(C)CCC(=O)CO)C 1458a_100000210174_100009814015 [0,1,0,0,0,1|0,0,2]=4 200 B13R0.493 CCC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000210414_100016991246 [0,1,0,0,0,1|1,0,0]=3 201 B13R0.493 CCC(=O)NN=C(C)CCC=C(C)C 4a_100000183195_100000765506 [0,1,0,0,0,1|2,0,0]=4 202 B13R0.493 CNC(=O)C=CC(=O)CCC=C(C)C 1458a_100016259477_100011217483 [0,1,0,0,0,1|2,0,0]=4 203 B13R0.493 COC(=O)C=CC(=O)NCC=C(C)C 1626a_100000718196_100016283253 [0,1,0,0,0,1|2,0,0]=4 204 B13R0.493 COC(=O)CCC(=O)CCC=C(C)C 1458a_100000187943_100011217483 [0,1,0,0,0,1|1,0,1]=4 205 B13R0.493 COC(=O)CCN(C)CCC=C(C)C 269982a_100025711912_100011217483 [0,1,0,0,0,1|1,0,1]=4 206 B13R0.493 COC(=O)COC(C)CCC=C(C)C 34a_100102619829_100000747449 [0,1,0,0,0,1|0,0,2]=4 207 B13R0.493 COC(=O)COC(C)CCC=C(C)C 7a_100102619829_100000747449 [0,1,0,0,0,1|0,0,2]=4 208 B13R0.493 COC(=O)NCC(=O)CCC=C(C)C 1458a_100000215747_100011217483 [0,1,0,0,0,1|1,0,1]=4 209 B13R0.71 COC(=O)CC(=O)CSCC=C(C)C 62a_100000210525_100000761012 [0,1,0,0,0,1|1,0,1]=4 210 B13R0.71 COC(=O)CC(=O)CSCC=C(C)C 62a_100000761012_100000210525 [0,1,0,0,0,1|1,0,1]=4 211 B13R0.71 COC(=O)CC(C)SCCC=C(C)C 62a_100009817358_100011217483 [0,1,0,0,0,1|0,0,2]=4 212 B13R0.71 COC(=O)CC(C)SCCC=C(C)C 62a_100011217483_100009817358 [0,1,0,0,0,1|0,0,2]=4 213 B13R0.71 COC(=O)NC(=O)CSCC=C(C)C 62a_100000761012_100000010850 [0,1,0,0,0,1|2,0,0]=4 214 B13R0.821 CC(=CCCNC(C)(C)CC(=O)O)C 269956a_100000755897_100011217483 [0,1,0,0,0,1|0,0,2]=4 215 B13R0.1236 CC(=CCCN[C@H](CO)CC(=O)O)C 269956a_100009816507_100011217483 [0,1,0,0,0,1|0,0,2]=4 216 B13R0.1236 CC[C@H](CC(=O)O)NCCC=C(C)C 269956a_100016995926_100011217483 [0,1,0,0,0,1|0,0,2]=4 217 B13R0.255 COC(=O)C(=O)C(C)NCC=C(C)C 34a_100000718196_100000692041 [0,2,0,0,0,0|1,0,1]=4 218 B13R0.255 COC(=O)C(=O)C(C)OCC=C(C)C 34a_100000753907_100000692041 [0,2,0,0,0,0|1,0,1]=4 219 B13R0.255 COC(=O)C(=O)C(C)SCC=C(C)C 62a_100000692041_100000761012 [0,2,0,0,0,0|1,0,1]=4 220 B13R0.255 COC(=O)C(=O)C(C)SCC=C(C)C 62a_100000761012_100000692041 [0,2,0,0,0,0|1,0,1]=4 221 B13R0.255 COC(=O)C(C)C(=O)CCC=C(C)C 1458a_100012027023_100011217483 [0,2,0,0,0,0|1,0,1]=4 222 B13R0.255 COC(=O)C(C)N(C)CCC=C(C)C 2230a_100000725243_100011217483 [0,2,0,0,0,0|1,0,1]=4 223 B13R0.255 COC(=O)C(C)N(C)CCC=C(C)C 269982a_100000725243_100011217483 [0,2,0,0,0,0|1,0,1]=4 224 B13R0.331 C#CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000184674 [0,2,0,0,0,0|1,0,0]=3 225 B13R0.331 C=CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000210623 [0,2,0,0,0,0|1,0,0]=3 226 B13R0.331 CC(=CCCC(=CC(=O)CC#N)C)C 1458a_100016995320_100011214920 [0,2,0,0,0,0|1,0,0]=3 227 B13R0.331 CC(=CCCC(=CC(=O)CCF)C)C 1458a_100016995320_100011217306 [0,2,0,0,0,0|1,0,0]=3 228 B13R0.331 CC(=CCCC(=CC(=O)CCO)C)C 1458a_100016995320_100000211926 [0,2,0,0,0,0|0,0,0]=2 229 B13R0.331 CC(=CCCC(C)CC(=O)CCO)C 1458a_100000043202_100000211926 [0,2,0,0,0,0|0,0,2]=4 230 B13R0.331 CCCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000210303 [0,2,0,0,0,0|1,0,0]=3 231 B13R0.331 CCNC(=O)C=C(C)CCC=C(C)C 11a_100015525214_100016995320 [0,2,0,0,0,0|1,0,0]=3 232 B13R0.331 CCNC(=O)C=C(C)CCC=C(C)C 240690a_100015525214_100016995320 [0,2,0,0,0,0|1,0,0]=3 233 B13R0.331 CCOC(=O)CC(=O)CCC=C(C)C 1458a_100000243816_100011217483 [0,2,0,0,0,0|1,0,1]=4 234 B13R0.331 CCOC(=O)CN(C)CCC=C(C)C 2230a_100000220588_100011217483 [0,2,0,0,0,0|1,0,1]=4 235 B13R0.331 CNNC(=O)C=C(C)CCC=C(C)C 22a_100016993582_100016995320 [0,2,0,0,0,0|1,0,0]=3 236 B13R0.631 C#CCN(CCC=C(C)C)CC(=O)O 269956a_100011236498_100011217483 [0,2,0,0,0,0|1,0,1]=4 237 B13R0.631 C=CCN(CCC=C(C)C)CC(=O)O 269956a_100000744315_100011217483 [0,2,0,0,0,0|1,0,1]=4 238 B13R0.631 CC(=CCCN(CCO)CC(=O)O)C 269956a_100000747938_100011217483 [0,2,0,0,0,0|1,0,1]=4 239 B13R0.1218 CC(=CCCN(C)[C@@H](CO)C(=O)O)C 269956a_100015362447_100011217483 [0,2,0,0,0,0|1,0,1]=4 240 B11R1.172 CC(=CCSc1ccoc1)C 62a_100000761012_100011215275 [1,0,0,1,0,0|1,0,1]=4 241 B11R1.172 CC(=CCSc1ccoc1)C 62a_100011215275_100000761012 [1,0,0,1,0,0|1,0,1]=4 242 B11R1.172 CC(=CCSc1ccon1)C 62a_100000761012_100009818083 [1,0,0,1,0,0|2,0,0]=4 243 B11R1.172 CC(=CCSc1ccon1)C 62a_100009818083_100000761012 [1,0,0,1,0,0|2,0,0]=4 244 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,0,0,1,1,0|1,0,1]=4 245 B11R1.20 CC(=O)C=C1CCN(CC1)C 1458a_100000699038_200000210301 [0,0,0,1,1,0|2,0,0]=4 246 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,0,0,1,1,0|1,0,1]=4 247 B11R1.20 CN1CCC(=CC(=O)[13CH3])CC1 1458a_100000699038_200025704644 [0,0,0,1,1,0|2,0,0]=4 248 B13R1.128 C=C(C)CCOCC1=CC(=O)OC1 34a_100000764851_100000716558 [0,0,0,1,0,1|0,0,2]=4 249 B13R1.128 C=C(C)CCSCC1=CC(=O)OC1 62a_100000716558_100000730704 [0,0,0,1,0,1|0,0,2]=4 250 B13R1.128 C=C(C)CCSCC1=CC(=O)OC1 62a_100000730704_100000716558 [0,0,0,1,0,1|0,0,2]=4 251 B13R1.128 CC(=CCCSC1COC(=O)O1)C 62a_100011217483_100000032252 [0,0,0,1,0,1|1,0,1]=4 252 B13R1.128 CC(=CCCSc1cc(on1)C)C 62a_100000716708_100011217483 [0,0,0,1,0,1|2,0,0]=4 253 B13R1.128 CC(=CCCSc1cc(on1)C)C 62a_100011217483_100000716708 [0,0,0,1,0,1|2,0,0]=4 254 B13R1.128 CC(=CCNCC1=CC(=O)OC1)C 34a_100000718196_100000716558 [0,0,0,1,0,1|0,0,0]=2 255 B13R1.128 CC(=CCNCC1COC(=O)O1)C 34a_100000718196_100000073702 [0,0,0,1,0,1|1,0,1]=4 256 B13R1.128 CC(=CCNC[C@H]1COC(=O)N1)C 34a_100000718196_100015307671 [0,0,0,1,0,1|1,0,1]=4 257 B13R1.128 CC(=CCNCc1cc(on1)C)C 2230a_100000745230_100000761012 [0,0,0,1,0,1|2,0,0]=4 258 B13R1.128 CC(=CCNCc1cc(on1)C)C 270004a_100000718196_100011217994 [0,0,0,1,0,1|2,0,0]=4 259 B13R1.128 CC(=CCNCc1cc(on1)C)C 34a_100000718196_100000199038 [0,0,0,1,0,1|2,0,0]=4 260 B13R1.128 CC(=CCNCc1cc(on1)C)C 34a_100000745230_100000761012 [0,0,0,1,0,1|2,0,0]=4 261 B13R1.128 CC(=CCOCC1=CC(=O)OC1)C 34a_100000753907_100000716558 [0,0,0,1,0,1|0,0,0]=2 262 B13R1.128 CC(=CCOCC1COC(=O)O1)C 34a_100000753907_100000073702 [0,0,0,1,0,1|1,0,1]=4 263 B13R1.128 CC(=CCOC[C@H]1COC(=O)N1)C 34a_100000753907_100015307671 [0,0,0,1,0,1|1,0,1]=4 264 B13R1.128 CC(=CCOCc1cc(on1)C)C 34a_100000753907_100000199038 [0,0,0,1,0,1|2,0,0]=4 265 B13R1.128 CC(=CCOCc1cc(on1)C)C 34a_100011216401_100000761012 [0,0,0,1,0,1|2,0,0]=4 266 B13R1.128 CC(=CCSCC1=CC(=O)OC1)C 62a_100000716558_100000761012 [0,0,0,1,0,1|0,0,0]=2 267 B13R1.128 CC(=CCSCC1=CC(=O)OC1)C 62a_100000761012_100000716558 [0,0,0,1,0,1|0,0,0]=2 268 B13R1.128 CC(=CCSCC1COC(=O)O1)C 62a_100000073702_100000761012 [0,0,0,1,0,1|1,0,1]=4 269 B13R1.128 CC(=CCSCC1COC(=O)O1)C 62a_100000761012_100000073702 [0,0,0,1,0,1|1,0,1]=4 270 B13R1.128 CC(=CCSC[C@H]1COC(=O)N1)C 62a_100000761012_100015307671 [0,0,0,1,0,1|1,0,1]=4 271 B13R1.128 CC(=CCSC[C@H]1COC(=O)N1)C 62a_100015307671_100000761012 [0,0,0,1,0,1|1,0,1]=4 272 B13R1.128 CC(=CCSCc1cc(on1)C)C 62a_100000199038_100000761012 [0,0,0,1,0,1|2,0,0]=4 273 B13R1.128 CC(=CCSCc1cc(on1)C)C 62a_100000761012_100000199038 [0,0,0,1,0,1|2,0,0]=4 274 B13R1.128 CC(=O)CCOCC1=CC(=O)OC1 34a_100000759926_100000716558 [0,0,0,1,0,1|1,0,1]=4 275 B13R1.128 CC(=O)CCSCC1=CC(=O)OC1 62a_100000053229_100000716558 [0,0,0,1,0,1|1,0,1]=4 276 B13R1.128 CC(=O)CCSCC1=CC(=O)OC1 62a_100000716558_100000053229 [0,0,0,1,0,1|1,0,1]=4 277 B13R1.128 CC(=O)OCSCC1=CC(=O)OC1 62a_100000076356_100000716558 [0,0,0,1,0,1|2,0,0]=4 278 B13R1.128 CC(=O)OCSCC1=CC(=O)OC1 62a_100000716558_100000076356 [0,0,0,1,0,1|2,0,0]=4 279 B13R1.128 CC(C)CCOCC1=CC(=O)OC1 34a_100000210254_100000716558 [0,0,0,1,0,1|0,0,2]=4 280 B13R1.128 CC(C)CCSCC1=CC(=O)OC1 62a_100000210312_100000716558 [0,0,0,1,0,1|0,0,2]=4 281 B13R1.128 CC(C)CCSCC1=CC(=O)OC1 62a_100000716558_100000210312 [0,0,0,1,0,1|0,0,2]=4 282 B13R1.128 CC(C)OCSCC1=CC(=O)OC1 62a_100000709892_100000716558 [0,0,0,1,0,1|1,0,1]=4 283 B13R1.128 CC(C)OCSCC1=CC(=O)OC1 62a_100000716558_100000709892 [0,0,0,1,0,1|1,0,1]=4 284 B13R1.128 CN(C)CCSCC1=CC(=O)OC1 62a_100000716558_100000755713 [0,0,0,1,0,1|1,0,1]=4 285 B13R1.60 CC(=CCSc1cc(on1)C=O)C 62a_100000761012_100009819588 [0,1,0,1,0,0|2,0,0]=4 286 B13R1.60 CC(=CCSc1cc(on1)C=O)C 62a_100009819588_100000761012 [0,1,0,1,0,0|2,0,0]=4 287 B13R1.60 CC(=CCSc1coc(c1)C=O)C 62a_100000747035_100000761012 [0,1,0,1,0,0|1,0,1]=4 288 B13R1.60 CC(=CCSc1coc(c1)C=O)C 62a_100000761012_100000747035 [0,1,0,1,0,0|1,0,1]=4 289 B13R1.149 CC(=CCCN1CCOC(=O)C1)C 2230a_100000131268_100011217483 [0,1,0,1,0,0|1,0,1]=4 290 B13R1.1684 COC(=O)C1CN1CCC=C(C)C 2230a_200009830135_100011217483 [0,1,0,1,0,0|1,0,1]=4 291 B13R1.1065 CC(=CCCN1CCC1C(=O)O)C 269956a_100000021838_100011217483 [0,1,0,1,0,0|1,0,1]=4 292 B9R0.48 CC(=CCC(=O)C=CBr)C 1458a_100016273825_100000761012 [1,0,0,0,1,0|2,0,0]=4 293 B9R0.48 CC(=CCC(=O)C=CCl)C 1458a_200016279998_100000761012 [1,0,0,0,1,0|2,0,0]=4 294 B9R0.48 CC(=CCC(=O)C=CI)C 1458a_100016256311_100000761012 [1,0,0,0,1,0|2,0,0]=4 295 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [1,0,0,0,1,0|2,0,0]=4 296 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [1,0,0,0,1,0|1,0,1]=4 297 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [1,0,0,0,1,0|1,0,1]=4 298 B11R0.176 C/C=C/C(C)OCCC=C(C)C 34a_200102604097_100011217483 [1,0,0,0,0,1|1,0,1]=4 299 B11R0.30 CC(=CCCNOCC(=O)O)C 269956a_100000106656_100011217483 [1,0,0,0,0,1|1,0,1]=4 300 B11R0.30 CC(=CCNC/C=C/B(O)O)C 34a_100000718196_100016262062 [1,0,0,0,0,1|1,0,1]=4 301 B11R0.30 CC(=CCOC/C=C/B(O)O)C 34a_100000753907_100016262062 [1,0,0,0,0,1|1,0,1]=4 302 B11R0.30 CC(=CCSC/C=C/B(O)O)C 62a_100000761012_100016262062 [1,0,0,0,0,1|1,0,1]=4 303 B11R0.30 CC(=CCSC/C=C/B(O)O)C 62a_100016262062_100000761012 [1,0,0,0,0,1|1,0,1]=4 304 B13R0.182 CC(=CCNCC(=O)NCC(=O)O)C 269956a_100000183575_100000761012 [0,0,0,0,0,2|1,0,1]=4 305 B13R0.1398 CC(=CCCN(C)CCCC(=O)O)C 269956a_100000719178_100011217483 [0,0,0,0,0,2|1,0,1]=4 306 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100015343762 [0,0,0,0,0,2|1,0,0]=3 307 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100015343762 [0,0,0,0,0,2|1,0,0]=3 308 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100103153847 [0,0,0,0,0,2|1,0,0]=3 309 B13R0.1398 CC(=O)NN=CC(C)CCC=C(C)C 4a_100000189765_100000033009 [0,0,0,0,0,2|1,0,1]=4