0 B9R0.35 C#CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000184674 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.35 C#CCC(=O)C(=O)NCC 1458a_200011297158_100000184674 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100000210906_100000184674 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100011220946_100000766640 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.35 C#CCC(=O)N(C)CCC 1626a_100000747261_100011220946 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.35 C#CCC(=O)N(C)CCC 527a_100000747261_100011220946 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.35 C#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000184674 [0,0,0,0,0,0|0,0,4]=4 7 B9R0.35 C#CCN(C)C(=O)CCC 11a_100000225692_100000211992 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.35 C#CCN(C)C(=O)CCC 1626a_100000225692_100000211992 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.35 C#CCN(C)C(=O)CCC 527a_100000225692_100000211992 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,0,0,0,0,0|3,0,0]=3 17 B9R0.35 C=CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000210623 [0,0,0,0,0,0|1,0,3]=4 18 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,0,0,0,0,0|1,0,3]=4 20 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,0,0,0,0,0|1,0,3]=4 21 B9R0.35 C=CCC(=O)N(C)CCC 11a_100000747261_100000210193 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.35 C=CCC(=O)N(C)CCC 1626a_100000747261_100000210193 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.35 C=CCC(=O)N(C)CCC 240690a_100000747261_100000210193 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.35 C=CCC(=O)N(C)CCC 527a_100000747261_100000210193 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,0,0,0,0,0|0,0,4]=4 26 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,0,0,0,0,0|1,0,3]=4 27 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,0,0,0,0,0|1,0,3]=4 32 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.35 CC/C=C(\C)/C(=O)CC#N 1458a_100016988807_100011214920 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,0,0,0,0,0|1,0,1]=2 35 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,0,0,0,0,0|2,0,1]=3 36 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,0,0,0,0,0|2,0,1]=3 37 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,0,0,0,0,0|2,0,1]=3 38 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,0,0,0,0,0|2,0,1]=3 39 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,0,0,0,0,0|2,0,1]=3 40 B9R0.35 CC/C=C(\C)/C(=O)NNC 22a_100016993582_100016988807 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,0,0,0,0,0|1,0,3]=4 42 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,0,0,0,0,0|2,0,2]=4 43 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,0,0,0,0,0|3,0,0]=3 46 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,0,0,0,0,0|1,0,0]=1 47 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,0,0,0,0,0|1,0,1]=2 49 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,0,0,0,0,0|1,0,1]=2 50 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,0,0,0,0,0|2,0,1]=3 51 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,0,0,0,0,0|2,0,1]=3 52 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,0,0,0,0,0|2,0,1]=3 53 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,0,0,0,0,0|2,0,1]=3 54 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,0,0,0,0,0|2,0,1]=3 55 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,0,0,0,0,0|2,0,1]=3 56 B9R0.35 CCCC(=O)N(C)CC#N 11a_100000748184_100000211992 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.35 CCCC(=O)N(C)CC#N 1626a_100000748184_100000211992 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,0,0,0,0,0|2,0,0]=2 59 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,0,0,0,0,0|2,0,0]=2 60 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,0,0,0,0,0|2,0,0]=2 61 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,0,0,0,0,0|2,0,0]=2 62 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,0,0,0,0,0|3,0,0]=3 64 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,0,0,0,0,0|0,0,2]=2 65 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100000210906_100011214920 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100051588842_100000766640 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,0,0,0,0,0|2,0,1]=3 68 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,0,0,0,0,0|2,0,1]=3 69 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,0,0,0,0,0|2,0,1]=3 70 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,0,0,0,0,0|2,0,1]=3 71 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,0,0,0,0,0|2,0,1]=3 74 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,0,0,0,0,0|2,0,1]=3 75 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.35 CCCC(C)N(C)CCC 2230a_100000747261_100000766640 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.35 CCCC(C)N(C)CCC 269982a_100000747261_100000766640 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.35 CCCC(C)N(C)CCC 270004a_100000747261_100000211909 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.35 CCCN(C)C(=O)CC#N 1626a_100000747261_100051588842 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.35 CCCN(C)C(=O)CC#N 240690a_100000747261_100051588842 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,0,0,0,0,0|3,0,0]=3 82 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,0,0,0,0,0|3,0,0]=3 83 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,0,0,0,0,0|3,0,0]=3 84 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,0,0,0,0,0|3,0,0]=3 85 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,0,0,0,0,0|3,0,0]=3 86 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,0,0,0,0,0|3,0,0]=3 87 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,0,0,0,0,0|3,0,0]=3 88 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,0,0,0,0,0|3,0,0]=3 89 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,0,0,0,0,0|3,0,0]=3 90 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,0,0,0,0,0|3,0,0]=3 91 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,0,0,0,0,0|3,0,0]=3 92 B9R0.35 CCC[C@H](O)C(=O)CC#N 1458a_100009822183_100011214920 [0,0,0,0,0,0|1,0,3]=4 93 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,0,0,0,0,0|1,0,2]=3 94 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,0,0,0,0,0|1,0,2]=3 95 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,0,0,0,0,0|1,0,2]=3 96 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,0,0,0,0,0|2,0,2]=4 97 B9R0.35 CCNC(=O)/C(=N/OC)/C 11a_100015525214_100160996864 [0,0,0,0,0,0|4,0,0]=4 98 B9R0.35 CCNC(=O)/C(=N/OC)/C 240690a_100015525214_100160996864 [0,0,0,0,0,0|4,0,0]=4 99 B9R0.35 CCNC(=O)C(=O)CC#N 1458a_200011297158_100011214920 [0,0,0,0,0,0|2,0,1]=3 100 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,0,0,0,0,0|2,0,0]=2 101 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,0,0,0,0,0|2,0,0]=2 102 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,0,0,0,0,0|2,0,0]=2 103 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,0,0,0,0,0|2,0,0]=2 104 B9R0.35 CCNC(=O)C(=O)NNC 22a_100016993582_200011297158 [0,0,0,0,0,0|3,0,0]=3 105 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,0,0,0,0,0|2,0,0]=2 106 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,0,0,0,0,0|2,0,0]=2 107 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,0,0,0,0,0|3,0,1]=4 108 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [0,0,0,0,0,0|3,0,1]=4 111 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [0,0,0,0,0,0|3,0,1]=4 115 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [0,0,0,0,0,0|3,0,1]=4 116 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [0,0,0,0,0,0|3,0,1]=4 121 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [0,0,0,0,0,0|3,0,1]=4 123 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.35 CCNC(=O)N(C)CCO 2708a_100015525214_100000210263 [0,0,0,0,0,0|4,0,0]=4 126 B9R0.35 CCNC(=O)N(C)CCO 273464a_100015525214_100000210263 [0,0,0,0,0,0|4,0,0]=4 127 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [0,0,0,0,0,0|3,0,1]=4 128 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [0,0,0,0,0,0|3,0,1]=4 129 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [0,0,0,0,0,0|3,0,1]=4 130 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,0,0,0,0,0|2,0,0]=2 131 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,0,0,0,0,0|2,0,0]=2 132 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,0,0,0,0,0|2,0,0]=2 133 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,0,0,0,0,0|2,0,0]=2 134 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,0,0,0,0,0|3,0,1]=4 135 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [0,0,0,0,0,0|3,0,1]=4 136 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [0,0,0,0,0,0|3,0,1]=4 137 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [0,0,0,0,0,0|3,0,1]=4 138 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [0,0,0,0,0,0|3,0,1]=4 139 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [0,0,0,0,0,0|3,0,1]=4 140 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,0,0,0,0,0|3,0,1]=4 141 B9R0.35 CCOC(C)C(=O)CCF 1458a_100000739345_100011217306 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.35 CCOC(C)C(=O)CCO 1458a_100000739345_100000211926 [0,0,0,0,0,0|3,0,1]=4 143 B9R0.35 CCSC(C)C(=O)CCF 1458a_100000230601_100011217306 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.35 CCSC(C)C(=O)CCO 1458a_100000230601_100000211926 [0,0,0,0,0,0|3,0,1]=4 145 B9R0.35 CN(CCO)C(=O)CCO 240690a_100000210263_100011216618 [0,0,0,0,0,0|4,0,0]=4 146 B9R0.35 CO/N=C(\C)/C(=O)CCF 1458a_100160996864_100011217306 [0,0,0,0,0,0|4,0,0]=4 147 B9R0.35 CO/N=C(\C)/C(=O)CCO 1458a_100160996864_100000211926 [0,0,0,0,0,0|4,0,0]=4 148 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,0,0,0,0,0|3,0,1]=4 149 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,0,0,0,0,0|3,0,1]=4 150 B9R0.35 COCC(=O)N(C)CCO 240690a_100000210263_100000210968 [0,0,0,0,0,0|4,0,0]=4 151 B9R0.35 COCC(=O)N(C)CCO 527a_100000210263_100000210968 [0,0,0,0,0,0|4,0,0]=4 152 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,0,0,0,0,0|3,0,1]=4 153 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,0,0,0,0,0|3,0,1]=4 154 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,0,0,0,0,0|3,0,1]=4 155 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,0,0,0,0,0|3,0,1]=4 157 B9R0.35 CSCC(=O)N(C)CCO 240690a_100000210263_100000184570 [0,0,0,0,0,0|4,0,0]=4 158 B9R0.35 CSCC(=O)N(C)CCO 527a_100000210263_100000184570 [0,0,0,0,0,0|4,0,0]=4 159 B9R0.35 CSCC(C)C(=O)CCF 1458a_100000753918_100011217306 [0,0,0,0,0,0|3,0,1]=4 160 B9R0.35 CSCC(C)C(=O)CCO 1458a_100000753918_100000211926 [0,0,0,0,0,0|3,0,1]=4 161 B8R0.1 C#CCC(=O)C=CCC 1458a_100000212282_100000184674 [1,0,0,0,0,0|0,0,3]=4 162 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [1,0,0,0,0,0|0,0,3]=4 163 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [1,0,0,0,0,0|0,0,3]=4 164 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [1,0,0,0,0,0|1,0,2]=4 165 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [1,0,0,0,0,0|1,0,2]=4 166 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [1,0,0,0,0,0|0,0,3]=4 167 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [1,0,0,0,0,0|0,0,3]=4 168 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [1,0,0,0,0,0|1,0,2]=4 169 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [1,0,0,0,0,0|1,0,2]=4 170 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [1,0,0,0,0,0|1,0,2]=4 171 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [1,0,0,0,0,0|1,0,2]=4 172 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,0,0,0,0|0,0,3]=4 173 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,0,0,0,0|0,0,3]=4 174 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [1,0,0,0,0,0|0,0,3]=4 175 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,0,0,0,0,0|0,0,3]=4 176 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,0,0,0,0,0|0,0,3]=4 177 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [1,0,0,0,0,0|1,0,2]=4 178 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [1,0,0,0,0,0|1,0,2]=4 179 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [1,0,0,0,0,0|1,0,2]=4 180 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [1,0,0,0,0,0|1,0,2]=4 181 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,0,0,0,0,0|0,0,3]=4 182 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,0,0,0,0,0|0,0,3]=4 183 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [1,0,0,0,0,0|1,0,2]=4 184 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [1,0,0,0,0,0|1,0,2]=4 185 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [1,0,0,0,0,0|1,0,2]=4 186 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,0,0,0,0,0|0,0,3]=4 187 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,0,0,0,0,0|0,0,3]=4 188 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,0,0,0,0,0|0,0,3]=4 189 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,0,0,0,0,0|1,0,2]=4 190 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,0,0,0,0,0|1,0,2]=4 191 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,0,0,0,0,0|1,0,2]=4 192 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,0,0,0,0|0,0,3]=4 193 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,0,0,0,0|0,0,3]=4 194 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [1,0,0,0,0,0|2,0,1]=4 195 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,0,0,0,0,0|0,0,2]=3 196 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [1,0,0,0,0,0|1,0,2]=4 197 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [1,0,0,0,0,0|1,0,2]=4 198 B8R0.1 CCC=CC(=O)CC#N 1458a_100000212282_100011214920 [1,0,0,0,0,0|1,0,2]=4 199 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,0,0,0,0,0|0,0,1]=2 200 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [1,0,0,0,0,0|1,0,1]=3 201 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [1,0,0,0,0,0|1,0,1]=3 202 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,0,0,0,0,0|1,0,1]=3 203 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,0,0,0,0,0|1,0,1]=3 204 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [1,0,0,0,0,0|2,0,1]=4 205 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [1,0,0,0,0,0|3,0,0]=4 206 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [1,0,0,0,0,0|1,0,2]=4 207 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,0,0,0,0,0|1,0,1]=3 208 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [1,0,0,0,0,0|1,0,2]=4 209 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [1,0,0,0,0,0|1,0,2]=4 210 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,0,0,0,0,0|1,0,1]=3 211 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,0,0,0,0,0|1,0,1]=3 212 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,0,0,0,0,0|1,0,1]=3 213 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,0,0,0,0,0|1,0,1]=3 214 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,0,0,0,0,0|1,0,1]=3 215 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,0,0,0,0,0|1,0,1]=3 216 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,0,0,0,0,0|1,0,1]=3 217 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,0,0,0,0,0|1,0,1]=3 218 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,0,0,0,0,0|1,0,1]=3 219 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,0,0,0,0,0|1,0,1]=3 220 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,0,0,0,0,0|1,0,1]=3 221 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [1,0,0,0,0,0|2,0,1]=4 224 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [1,0,0,0,0,0|2,0,1]=4 225 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,0,0,0,0,0|2,0,0]=3 226 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,0,0,0,0,0|2,0,0]=3 227 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,0,0,0,0,0|2,0,0]=3 228 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,0,0,0,0,0|2,0,0]=3 229 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,0,0,0,0,0|2,0,0]=3 230 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,0,0,0,0,0|2,0,0]=3 231 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,0,0,0,0,0|2,0,0]=3 232 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,0,0,0,0,0|2,0,0]=3 233 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,0,0,0,0,0|2,0,0]=3 234 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,0,0,0,0,0|2,0,0]=3 235 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,0,0,0,0,0|2,0,0]=3 236 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,0,0,0,0,0|2,0,0]=3 237 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [1,0,0,0,0,0|1,0,2]=4 238 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [1,0,0,0,0,0|1,0,2]=4 239 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,0,0,0,0,0|0,0,1]=2 240 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,0,0,0,0,0|0,0,1]=2 241 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,0,0,0,0,0|1,0,1]=3 242 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,0,0,0,0,0|1,0,1]=3 243 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,0,0,0,0,0|1,0,1]=3 244 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,0,0,0,0,0|1,0,1]=3 245 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,0,0,0,0,0|1,0,1]=3 246 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 247 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 248 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,0,0,0,0,0|1,0,1]=3 249 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,0,0,0,0,0|2,0,1]=4 250 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,0,0,0,0,0|2,0,1]=4 251 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,0,0,0,0,0|2,0,1]=4 252 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,0,0,0,0,0|2,0,1]=4 253 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,0,0,0,0,0|2,0,1]=4 254 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,0,0,0,0,0|2,0,1]=4 255 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,0,0,0,0,0|2,0,1]=4 256 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,0,0,0,0,0|2,0,1]=4 257 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,0,0,0,0,0|2,0,1]=4 258 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [1,0,0,0,0,0|2,0,1]=4 259 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [1,0,0,0,0,0|2,0,1]=4 260 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,0,0,0,0,0|1,0,0]=2 261 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,0,0,0,0,0|1,0,0]=2 262 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,0,0,0,0,0|1,0,0]=2 263 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,0,0,0,0,0|1,0,0]=2 264 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,0,0,0,0,0|2,0,0]=3 265 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,0,0,0,0,0|2,0,0]=3 266 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,0,0,0,0,0|2,0,0]=3 267 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,0,0,0,0,0|2,0,0]=3 268 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,0,0,0,0,0|2,0,0]=3 269 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,0,0,0,0,0|2,0,0]=3 270 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,0,0,0,0,0|2,0,0]=3 271 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,0,0,0,0,0|2,0,0]=3 272 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,0,0,0,0,0|2,0,0]=3 273 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,0,0,0,0,0|2,0,0]=3 274 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,0,0,0,0,0|2,0,0]=3 275 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,0,0,0,0,0|2,0,0]=3 276 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,0,0,0,0,0|2,0,0]=3 277 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,0,0,0,0,0|2,0,0]=3 278 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,0,0,0,0,0|2,0,0]=3 279 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,0,0,0,0,0|2,0,0]=3 280 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,0,0,0,0,0|2,0,0]=3 281 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,0,0,0,0,0|2,0,0]=3 282 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,0,0,0,0,0|2,0,0]=3 283 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 284 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 285 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 286 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 287 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 288 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 289 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [1,0,0,0,0,0|3,0,0]=4 290 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [1,0,0,0,0,0|3,0,0]=4 291 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [1,0,0,0,0,0|3,0,0]=4 292 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [1,0,0,0,0,0|2,0,1]=4 293 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [1,0,0,0,0,0|2,0,1]=4 294 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,0,0,0,0,0|2,0,0]=3 295 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,0,0,0,0,0|2,0,0]=3 296 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,0,0,0,0,0|2,0,0]=3 297 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,0,0,0,0,0|2,0,0]=3 298 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,0,0,0,0,0|2,0,0]=3 299 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,0,0,0,0,0|2,0,0]=3 300 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,0,0,0,0,0|2,0,0]=3 301 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,0,0,0,0,0|2,0,0]=3 302 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [1,0,0,0,0,0|2,0,1]=4 303 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [1,0,0,0,0,0|2,0,1]=4 304 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [1,0,0,0,0,0|2,0,1]=4 305 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [1,0,0,0,0,0|2,0,1]=4 307 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [1,0,0,0,0,0|2,0,1]=4 308 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,0,0,0,0,0|2,0,1]=4 311 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,0,0,0,0,0|2,0,1]=4 312 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,0,0,0,0,0|2,0,1]=4 314 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,0,0,0,0,0|2,0,1]=4 315 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,0,0,0,0,0|2,0,1]=4 318 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,0,0,0,0,0|2,0,1]=4 319 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,0,0,0,0,0|2,0,1]=4 324 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,0,0,0,0,0|2,0,1]=4 326 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,0,0,0,0,0|2,0,1]=4 329 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,0,0,0,0,0|2,0,1]=4 330 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,0,0,0,0,0|2,0,1]=4 331 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 332 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [1,0,0,0,0,0|3,0,0]=4 333 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 334 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 335 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 336 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [1,0,0,0,0,0|3,0,0]=4 337 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 338 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 339 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,0,0,0,0,0|2,0,1]=4 340 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,0,0,0,0,0|2,0,1]=4 341 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,0,0,0,0,0|2,0,1]=4 342 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [1,0,0,0,0,0|3,0,0]=4 344 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [1,0,0,0,0,0|3,0,0]=4 345 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 346 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [1,0,0,0,0,0|3,0,0]=4 347 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 348 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,0,0,0,0,0|2,0,1]=4 350 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,0,0,0,0,0|2,0,1]=4 351 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,0,0,0,0,0|2,0,1]=4 352 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,0,0,0,0,0|2,0,1]=4 353 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,0,0,0,0,0|2,0,1]=4 354 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,0,0,0,0,0|2,0,1]=4 355 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,0,0,0,0,0|2,0,1]=4 357 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,0,0,0,0,0|2,0,1]=4 358 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,0,0,0,0,0|3,0,0]=4 359 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,0,0,0,0,0|3,0,0]=4 360 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,0,0,0,0,0|2,0,1]=4 361 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,0,0,0,0,0|2,0,1]=4 362 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,0,0,0,0,0|2,0,1]=4 363 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,0,0,0,0,0|2,0,1]=4 364 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,0,0,0,0,0|2,0,1]=4 365 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [1,0,0,0,0,0|3,0,0]=4 366 B8R0.1 COC=CC(=O)CCF 1458a_100016268678_100011217306 [1,0,0,0,0,0|2,0,1]=4 367 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [1,0,0,0,0,0|2,0,1]=4 368 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,0,0,0,0,0|2,0,1]=4 369 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,0,0,0,0,0|2,0,1]=4 370 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,0,0,0,0,0|2,0,1]=4 371 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [1,0,0,0,0,0|3,0,0]=4 372 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [1,0,0,0,0,0|3,0,0]=4 373 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [1,0,0,0,0,0|3,0,0]=4 374 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [1,0,0,0,0,0|3,0,0]=4 375 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [1,0,0,0,0,0|3,0,0]=4 376 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [1,0,0,0,0,0|3,0,0]=4 377 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,0,0,0,0,0|2,0,1]=4 381 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,0,0,0,0,0|2,0,1]=4 382 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [1,0,0,0,0,0|3,0,0]=4 385 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [1,0,0,0,0,0|3,0,0]=4 386 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [1,0,0,0,0,0|3,0,0]=4 387 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [1,0,0,0,0,0|3,0,0]=4 388 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [1,0,0,0,0,0|3,0,0]=4 389 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [1,0,0,0,0,0|3,0,0]=4 390 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,0,0,0,0,0|2,0,1]=4 391 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,0,0,0,0,0|2,0,1]=4 392 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,0,0,0,0,0|2,0,1]=4 393 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,0,0,0,0,0|2,0,1]=4 394 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,0,0,0,0,0|2,0,1]=4 395 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,0,0,0,0,0|2,0,1]=4 396 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [1,0,0,0,0,0|3,0,0]=4 397 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [1,0,0,0,0,0|3,0,0]=4 398 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [1,0,0,0,0,0|3,0,0]=4 399 B8R0.3 C#CCC(=O)C(=O)NC 1458a_100011218921_100000184674 [1,0,0,0,0,0|1,0,2]=4 400 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,0,0,0,0,0|1,0,1]=3 401 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [1,0,0,0,0,0|2,0,1]=4 402 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [1,0,0,0,0,0|2,0,1]=4 403 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [1,0,0,0,0,0|2,0,1]=4 404 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [1,0,0,0,0,0|3,0,0]=4 405 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [1,0,0,0,0,0|3,0,0]=4 406 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [1,0,0,0,0,0|3,0,0]=4 407 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [1,0,0,0,0,0|3,0,0]=4 408 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [1,0,0,0,0,0|3,0,0]=4 409 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [1,0,0,0,0,0|3,0,0]=4 410 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [1,0,0,0,0,0|1,0,2]=4 411 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,0,0,0,0,0|1,0,1]=3 412 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [1,0,0,0,0,0|2,0,1]=4 413 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [1,0,0,0,0,0|2,0,1]=4 414 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [1,0,0,0,0,0|2,0,1]=4 415 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [1,0,0,0,0,0|2,0,1]=4 416 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [1,0,0,0,0,0|2,0,1]=4 417 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [1,0,0,0,0,0|3,0,0]=4 418 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,0,0,0,0,0|2,0,1]=4 419 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,0,0,0,0,0|2,0,1]=4 420 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,0,0,0,0,0|2,0,1]=4 421 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,0,0,0,0,0|2,0,1]=4 422 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [1,0,0,0,0,0|3,0,0]=4 423 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [1,0,0,0,0,0|3,0,0]=4 424 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [1,0,0,0,0,0|2,0,1]=4 426 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [1,0,0,0,0,0|2,0,1]=4 427 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [1,0,0,0,0,0|2,0,1]=4 428 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [1,0,0,0,0,0|2,0,1]=4 429 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [1,0,0,0,0,0|1,0,2]=4 430 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [1,0,0,0,0,0|1,0,2]=4 431 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,0,0,0,0,0|1,0,0]=2 432 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [1,0,0,0,0,0|1,0,1]=3 433 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [1,0,0,0,0,0|1,0,1]=3 434 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,0,0,0,0,0|2,0,1]=4 435 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [1,0,0,0,0,0|2,0,1]=4 436 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [1,0,0,0,0,0|0,0,2]=3 437 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [1,0,0,0,0,0|1,0,2]=4 438 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 439 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 440 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 441 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [1,0,0,0,0,0|2,0,0]=3 442 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,0,0,0,0,0|1,0,1]=3 443 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,0,0,0,0,0|1,0,1]=3 444 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,0,0,0,0,0|2,0,1]=4 445 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,0,0,0,0,0|2,0,1]=4 446 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,0,0,0,0,0|2,0,1]=4 447 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,0,0,0,0,0|2,0,1]=4 448 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,0,0,0,0,0|2,0,1]=4 449 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,0,0,0,0,0|2,0,0]=3 451 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,0,0,0,0,0|2,0,0]=3 452 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,0,0,0,0,0|2,0,0]=3 453 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,0,0,0,0,0|2,0,0]=3 454 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [1,0,0,0,0,0|3,0,0]=4 455 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [1,0,0,0,0,0|3,0,0]=4 456 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,0,0,0,0,0|3,0,0]=4 457 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,0,0,0,0,0|0,0,2]=3 459 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,0,0,0,0,0|1,0,2]=4 460 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,0,0,0,0,0|1,0,2]=4 461 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [1,0,0,0,0,0|3,0,0]=4 462 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [1,0,0,0,0,0|3,0,0]=4 463 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [1,0,0,0,0,0|3,0,0]=4 464 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [1,0,0,0,0,0|3,0,0]=4 465 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 466 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 467 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 468 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [1,0,0,0,0,0|3,0,0]=4 469 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [1,0,0,0,0,0|3,0,0]=4 470 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 471 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 472 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 473 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [1,0,0,0,0,0|3,0,0]=4 474 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [1,0,0,0,0,0|3,0,0]=4 475 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [1,0,0,0,0,0|3,0,0]=4 476 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [1,0,0,0,0,0|3,0,0]=4 477 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [1,0,0,0,0,0|3,0,0]=4 478 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [1,0,0,0,0,0|1,0,0]=2 479 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [1,0,0,0,0,0|2,0,0]=3 480 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [1,0,0,0,0,0|2,0,0]=3 481 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [1,0,0,0,0,0|2,0,0]=3 482 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [1,0,0,0,0,0|2,0,0]=3 483 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [1,0,0,0,0,0|2,0,0]=3 484 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [1,0,0,0,0,0|2,0,0]=3 485 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,0,0,0,0,0|2,0,0]=3 486 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,0,0,0,0,0|2,0,0]=3 487 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,0,0,0,0,0|2,0,0]=3 488 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [1,0,0,0,0,0|2,0,1]=4 489 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [1,0,0,0,0,0|2,0,1]=4 490 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [1,0,0,0,0,0|2,0,1]=4 491 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [1,0,0,0,0,0|1,0,2]=4 492 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [1,0,0,0,0,0|3,0,0]=4 493 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [1,0,0,0,0,0|3,0,0]=4 494 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,0,0,0,0,0|2,0,1]=4 495 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,0,0,0,0,0|2,0,0]=3 496 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,0,0,0,0,0|2,0,0]=3 497 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,0,0,0,0,0|2,0,0]=3 498 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,0,0,0,0,0|2,0,1]=4 499 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,0,0,0,0,0|2,0,1]=4 500 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,0,0,0,0,0|2,0,1]=4 501 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,0,0,0,0,0|2,0,1]=4 502 B8R0.3 CNC(=O)C(=O)CC#N 1458a_100011218921_100011214920 [1,0,0,0,0,0|2,0,1]=4 503 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [1,0,0,0,0,0|2,0,0]=3 504 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [1,0,0,0,0,0|2,0,0]=3 505 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [1,0,0,0,0,0|2,0,0]=3 506 B8R0.3 CNNC(=O)C(=O)NC 22a_100016993582_100011218921 [1,0,0,0,0,0|3,0,0]=4 507 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [1,0,0,0,0,0|2,0,0]=3 508 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [1,0,0,0,0,0|2,0,0]=3 509 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [1,0,0,0,0,0|2,0,0]=3 510 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [1,0,0,0,0,0|2,0,0]=3 511 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [1,0,0,0,0,0|2,0,0]=3 512 B10R0.19 C#CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000184674 [0,1,0,0,0,0|1,0,2]=4 513 B10R0.19 C#CCC(=O)C(=O)NCCC 1458a_200011297150_100000184674 [0,1,0,0,0,0|0,0,2]=3 514 B10R0.19 C#CCCC(=O)/C(=C/CC)/C 1458a_100016988807_100000753159 [0,1,0,0,0,0|1,0,2]=4 515 B10R0.19 C#CCCC(=O)C(=O)NCC 1458a_200011297158_100000753159 [0,1,0,0,0,0|1,0,1]=3 516 B10R0.19 C#CCCC(=O)C(C)CCC 1458a_100000210906_100000753159 [0,1,0,0,0,0|1,0,2]=4 517 B10R0.19 C#CCCC(=O)C(C)CCC 1458a_100000692101_100000766640 [0,1,0,0,0,0|1,0,2]=4 518 B10R0.19 C#CCCC(=O)N(C)CCC 11a_100000747261_100000692101 [0,1,0,0,0,0|2,0,1]=4 519 B10R0.19 C#CCCC(=O)N(C)CCC 1626a_100000747261_100000692101 [0,1,0,0,0,0|2,0,1]=4 520 B10R0.19 C#CCCC(=O)N(C)CCC 240690a_100000747261_100000692101 [0,1,0,0,0,0|2,0,1]=4 521 B10R0.19 C#CCCC(=O)N(C)CCC 527a_100000747261_100000692101 [0,1,0,0,0,0|2,0,1]=4 522 B10R0.19 C#CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000753159 [0,1,0,0,0,0|0,0,3]=4 523 B10R0.19 C#CCNC(=O)C(=O)NCC 1626a_100000212058_200011297158 [0,1,0,0,0,0|1,0,2]=4 524 B10R0.19 C#CCNC(=O)C(=O)NCC 240690a_100000212058_200011297158 [0,1,0,0,0,0|1,0,2]=4 525 B10R0.19 C#CCNC(=O)C(=O)NCC 527a_100000212058_200011297158 [0,1,0,0,0,0|1,0,2]=4 526 B10R0.19 C#CCNC(=O)C(=O)OCC 11a_100000212058_100014798877 [0,1,0,0,0,0|1,0,2]=4 527 B10R0.19 C#CCNC(=O)C(=O)OCC 1626a_100000212058_100014798877 [0,1,0,0,0,0|1,0,2]=4 528 B10R0.19 C#CCNC(=O)C(=O)OCC 240690a_100000212058_100014798877 [0,1,0,0,0,0|1,0,2]=4 529 B10R0.19 C/C=C/CC(=O)/C(=C/CC)/C 1458a_100016988807_100102629194 [0,1,0,0,0,0|1,0,2]=4 530 B10R0.19 C/C=C/CC(=O)C(=O)NCC 1458a_200011297158_100102629194 [0,1,0,0,0,0|1,0,1]=3 531 B10R0.19 C/C=C/CC(=O)C(C)CCC 1458a_100000210906_100102629194 [0,1,0,0,0,0|1,0,2]=4 532 B10R0.19 C/C=C/CC(=O)[C@@H](O)CCC 1458a_100009822183_100102629194 [0,1,0,0,0,0|0,0,3]=4 533 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,1,0,0,0,0|2,0,0]=3 534 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,1,0,0,0,0|2,0,0]=3 535 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,1,0,0,0,0|2,0,0]=3 536 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100000755967_100015361967 [0,1,0,0,0,0|3,0,0]=4 537 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100015361967_100000755967 [0,1,0,0,0,0|3,0,0]=4 538 B10R0.19 C=CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000210623 [0,1,0,0,0,0|1,0,2]=4 539 B10R0.19 C=CCC(=O)C(=O)NCCC 1458a_200011297150_100000210623 [0,1,0,0,0,0|0,0,2]=3 540 B10R0.19 C=CCCC(=O)/C(=C/CC)/C 1458a_100016988807_100000754431 [0,1,0,0,0,0|1,0,2]=4 541 B10R0.19 C=CCCC(=O)C(=O)NCC 1458a_200011297158_100000754431 [0,1,0,0,0,0|1,0,1]=3 542 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000210906_100000754431 [0,1,0,0,0,0|1,0,2]=4 543 B10R0.19 C=CCCC(=O)C(C)CCC 1458a_100000749702_100000766640 [0,1,0,0,0,0|1,0,2]=4 544 B10R0.19 C=CCCC(=O)N(C)CCC 11a_100000747261_100000749702 [0,1,0,0,0,0|2,0,1]=4 545 B10R0.19 C=CCCC(=O)N(C)CCC 1626a_100000747261_100000749702 [0,1,0,0,0,0|2,0,1]=4 546 B10R0.19 C=CCCC(=O)N(C)CCC 240690a_100000747261_100000749702 [0,1,0,0,0,0|2,0,1]=4 547 B10R0.19 C=CCCC(=O)N(C)CCC 527a_100000747261_100000749702 [0,1,0,0,0,0|2,0,1]=4 548 B10R0.19 C=CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000754431 [0,1,0,0,0,0|0,0,3]=4 549 B10R0.19 C=CCCN(C)C(=O)CCC 11a_100020639649_100000211992 [0,1,0,0,0,0|2,0,1]=4 550 B10R0.19 C=CCCN(C)C(=O)CCC 1626a_100020639649_100000211992 [0,1,0,0,0,0|2,0,1]=4 551 B10R0.19 C=CCCN(C)C(=O)CCC 240690a_100020639649_100000211992 [0,1,0,0,0,0|2,0,1]=4 552 B10R0.19 C=CCCN(C)C(=O)CCC 527a_100020639649_100000211992 [0,1,0,0,0,0|2,0,1]=4 553 B10R0.19 C=CCNC(=O)C(=O)NCC 1626a_100020586998_200011297158 [0,1,0,0,0,0|1,0,2]=4 554 B10R0.19 C=CCNC(=O)C(=O)NCC 240690a_100020586998_200011297158 [0,1,0,0,0,0|1,0,2]=4 555 B10R0.19 C=CCNC(=O)C(=O)NCC 527a_100020586998_200011297158 [0,1,0,0,0,0|1,0,2]=4 556 B10R0.19 C=CCNC(=O)C(=O)OCC 1626a_100020586998_100014798877 [0,1,0,0,0,0|1,0,2]=4 557 B10R0.19 C=CCNC(=O)C(=O)OCC 240690a_100020586998_100014798877 [0,1,0,0,0,0|1,0,2]=4 558 B10R0.19 CC#CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000748600 [0,1,0,0,0,0|1,0,2]=4 559 B10R0.19 CC#CCC(=O)C(=O)NCC 1458a_200011297158_100000748600 [0,1,0,0,0,0|1,0,1]=3 560 B10R0.19 CC#CCC(=O)C(C)CCC 1458a_100000210906_100000748600 [0,1,0,0,0,0|1,0,2]=4 561 B10R0.19 CC#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000748600 [0,1,0,0,0,0|0,0,3]=4 562 B10R0.19 CC/C=C(\C)/C(=O)CCC#N 1458a_100016988807_100011215226 [0,1,0,0,0,0|1,0,2]=4 563 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,1,0,0,0,0|1,0,1]=3 564 B10R0.19 CC/C=C(\C)/C(=O)CCCF 1458a_100016988807_100011934791 [0,1,0,0,0,0|1,0,1]=3 565 B10R0.19 CC/C=C(\C)/C(=O)CCCO 1458a_100016988807_100011215043 [0,1,0,0,0,0|1,0,1]=3 566 B10R0.19 CC/C=C(\C)/C(=O)CCOC 1458a_100016988807_100000233755 [0,1,0,0,0,0|1,0,1]=3 567 B10R0.19 CC/C=C(\C)/C(=O)CCSC 1458a_100016988807_100000751147 [0,1,0,0,0,0|1,0,1]=3 568 B10R0.19 CC/C=C(\C)/C(=O)NCCC 11a_100020643023_100016988807 [0,1,0,0,0,0|1,0,1]=3 569 B10R0.19 CC/C=C(\C)/C(=O)NCCC 1626a_100020643023_100016988807 [0,1,0,0,0,0|1,0,1]=3 570 B10R0.19 CC/C=C(\C)/C(=O)NCCC 240690a_100020643023_100016988807 [0,1,0,0,0,0|1,0,1]=3 571 B10R0.19 CC/C=C(\C)/C(=O)NCCC 527a_100020643023_100016988807 [0,1,0,0,0,0|1,0,1]=3 572 B10R0.19 CC/C=C(\C)/C(=O)NCCF 11a_100000724931_100016988807 [0,1,0,0,0,0|2,0,1]=4 573 B10R0.19 CC/C=C(\C)/C(=O)NCCF 1626a_100000724931_100016988807 [0,1,0,0,0,0|2,0,1]=4 574 B10R0.19 CC/C=C(\C)/C(=O)NCCF 240690a_100000724931_100016988807 [0,1,0,0,0,0|2,0,1]=4 575 B10R0.19 CC/C=C(\C)/C(=O)NCCF 527a_100000724931_100016988807 [0,1,0,0,0,0|2,0,1]=4 576 B10R0.19 CC/C=C(\C)/C(=O)NCCO 240690a_100000210304_100016988807 [0,1,0,0,0,0|2,0,1]=4 577 B10R0.19 CC/C=C(\C)/C(=O)NCCO 527a_100000210304_100016988807 [0,1,0,0,0,0|2,0,1]=4 578 B10R0.19 CC/C=C(\C)/C(=O)NNCC 22a_100000756455_100016988807 [0,1,0,0,0,0|2,0,1]=4 579 B10R0.19 CC=CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000070051 [0,1,0,0,0,0|1,0,2]=4 580 B10R0.19 CC=CCC(=O)C(=O)NCC 1458a_200011297158_100000070051 [0,1,0,0,0,0|1,0,1]=3 581 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100000210906_100000070051 [0,1,0,0,0,0|1,0,2]=4 582 B10R0.19 CC=CCC(=O)C(C)CCC 1458a_100121576822_100000766640 [0,1,0,0,0,0|1,0,2]=4 583 B10R0.19 CC=CCC(=O)N(C)CCC 11a_100000747261_100121576822 [0,1,0,0,0,0|2,0,1]=4 584 B10R0.19 CC=CCC(=O)N(C)CCC 1626a_100000747261_100121576822 [0,1,0,0,0,0|2,0,1]=4 585 B10R0.19 CC=CCC(=O)N(C)CCC 240690a_100000747261_100121576822 [0,1,0,0,0,0|2,0,1]=4 586 B10R0.19 CC=CCC(=O)N(C)CCC 527a_100000747261_100121576822 [0,1,0,0,0,0|2,0,1]=4 587 B10R0.19 CC=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000070051 [0,1,0,0,0,0|0,0,3]=4 588 B10R0.19 CCC#CC(=O)C(C)CCC 1458a_100011827653_100000766640 [0,1,0,0,0,0|1,0,2]=4 589 B10R0.19 CCC/C=C(\C)/C(=O)CC#N 1458a_200020648666_100011214920 [0,1,0,0,0,0|2,0,1]=4 590 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,1,0,0,0,0|1,0,0]=2 591 B10R0.19 CCC/C=C(\C)/C(=O)CCF 1458a_200020648666_100011217306 [0,1,0,0,0,0|2,0,0]=3 592 B10R0.19 CCC/C=C(\C)/C(=O)CCO 1458a_200020648666_100000211926 [0,1,0,0,0,0|2,0,0]=3 593 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [0,1,0,0,0,0|2,0,0]=3 594 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [0,1,0,0,0,0|2,0,0]=3 595 B10R0.19 CCC/C=C(\C)/C(=O)NNC 22a_100016993582_200020648666 [0,1,0,0,0,0|3,0,0]=4 596 B10R0.19 CCC=CC(=O)C(C)CCC 1458a_100000212282_100000766640 [0,1,0,0,0,0|1,0,2]=4 597 B10R0.19 CCC=CC(=O)N(C)CCC 11a_100000747261_100000212282 [0,1,0,0,0,0|2,0,1]=4 598 B10R0.19 CCC=CC(=O)N(C)CCC 1626a_100000747261_100000212282 [0,1,0,0,0,0|2,0,1]=4 599 B10R0.19 CCC=CC(=O)N(C)CCC 240690a_100000747261_100000212282 [0,1,0,0,0,0|2,0,1]=4 600 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,1,0,0,0,0|0,0,2]=3 601 B10R0.19 CCCC(=O)N(C)CCC#N 11a_100000184479_100000211992 [0,1,0,0,0,0|2,0,1]=4 602 B10R0.19 CCCC(=O)N(C)CCC#N 1626a_100000184479_100000211992 [0,1,0,0,0,0|2,0,1]=4 603 B10R0.19 CCCC(=O)N(C)CCC#N 240690a_100000184479_100000211992 [0,1,0,0,0,0|2,0,1]=4 604 B10R0.19 CCCC(=O)N(C)CCC#N 527a_100000184479_100000211992 [0,1,0,0,0,0|2,0,1]=4 605 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [0,1,0,0,0,0|2,0,0]=3 606 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [0,1,0,0,0,0|2,0,0]=3 607 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [0,1,0,0,0,0|2,0,0]=3 608 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [0,1,0,0,0,0|2,0,0]=3 609 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [0,1,0,0,0,0|2,0,0]=3 610 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [0,1,0,0,0,0|2,0,0]=3 611 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [0,1,0,0,0,0|2,0,0]=3 612 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [0,1,0,0,0,0|2,0,0]=3 613 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [0,1,0,0,0,0|2,0,0]=3 614 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [0,1,0,0,0,0|2,0,0]=3 615 B10R0.19 CCCC(C)C(=O)CCC#N 1458a_100000210906_100011215226 [0,1,0,0,0,0|1,0,2]=4 616 B10R0.19 CCCC(C)C(=O)CCC#N 1458a_100011934036_100000766640 [0,1,0,0,0,0|1,0,2]=4 617 B10R0.19 CCCC(C)C(=O)CCCF 1458a_100000210906_100011934791 [0,1,0,0,0,0|1,0,1]=3 618 B10R0.19 CCCC(C)C(=O)CCCO 1458a_100000210906_100011215043 [0,1,0,0,0,0|1,0,1]=3 619 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000210906_100000233755 [0,1,0,0,0,0|1,0,1]=3 620 B10R0.19 CCCC(C)C(=O)CCOC 1458a_100000749529_100000766640 [0,1,0,0,0,0|1,0,1]=3 621 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000174002_100000766640 [0,1,0,0,0,0|1,0,1]=3 622 B10R0.19 CCCC(C)C(=O)CCSC 1458a_100000210906_100000751147 [0,1,0,0,0,0|1,0,1]=3 623 B10R0.19 CCCC(C)C(=O)COCC 1458a_100000211967_100000766640 [0,1,0,0,0,0|1,0,1]=3 624 B10R0.19 CCCC(C)C(=O)CSCC 1458a_100000230394_100000766640 [0,1,0,0,0,0|1,0,1]=3 625 B10R0.19 CCCC(C)C(=O)NCCF 11a_100000724931_100000210906 [0,1,0,0,0,0|2,0,1]=4 626 B10R0.19 CCCC(C)C(=O)NCCF 1626a_100000724931_100000210906 [0,1,0,0,0,0|2,0,1]=4 627 B10R0.19 CCCC(C)C(=O)NCCF 240690a_100000724931_100000210906 [0,1,0,0,0,0|2,0,1]=4 628 B10R0.19 CCCC(C)C(=O)NCCF 527a_100000724931_100000210906 [0,1,0,0,0,0|2,0,1]=4 629 B10R0.19 CCCC(C)C(=O)NCCO 240690a_100000210304_100000210906 [0,1,0,0,0,0|2,0,1]=4 630 B10R0.19 CCCC(C)C(=O)NCCO 527a_100000210304_100000210906 [0,1,0,0,0,0|2,0,1]=4 631 B10R0.19 CCCC(C)C(=O)NNCC 22a_100000756455_100000210906 [0,1,0,0,0,0|2,0,1]=4 632 B10R0.19 CCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210211 [0,1,0,0,0,0|3,0,0]=4 633 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,1,0,0,0,0|1,0,0]=2 634 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [0,1,0,0,0,0|1,0,1]=3 635 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [0,1,0,0,0,0|1,0,1]=3 636 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [0,1,0,0,0,0|2,0,1]=4 637 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000210183_100000765312 [0,1,0,0,0,0|2,0,1]=4 638 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000751857_100000210211 [0,1,0,0,0,0|2,0,1]=4 639 B10R0.19 CCCCC(=O)C(C)CSC 1458a_100000753918_100000210211 [0,1,0,0,0,0|2,0,1]=4 640 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,1,0,0,0,0|2,0,1]=4 641 B10R0.19 CCCCC(=O)C(C)SCC 1458a_100000230601_100000210211 [0,1,0,0,0,0|2,0,1]=4 642 B10R0.19 CCCCC(=O)N(C)CCC 11a_100000747261_100000210183 [0,1,0,0,0,0|2,0,0]=3 643 B10R0.19 CCCCC(=O)N(C)CCC 1626a_100000747261_100000210183 [0,1,0,0,0,0|2,0,0]=3 644 B10R0.19 CCCCC(=O)N(C)CCC 240690a_100000747261_100000210183 [0,1,0,0,0,0|2,0,0]=3 645 B10R0.19 CCCCC(=O)N(C)CCC 527a_100000747261_100000210183 [0,1,0,0,0,0|2,0,0]=3 646 B10R0.19 CCCCC(=O)N(C)CCO 240690a_100000210263_100000210183 [0,1,0,0,0,0|3,0,0]=4 647 B10R0.19 CCCCC(=O)N(C)CCO 527a_100000210263_100000210183 [0,1,0,0,0,0|3,0,0]=4 648 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [0,1,0,0,0,0|0,0,2]=3 649 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,1,0,0,0,0|1,0,1]=3 650 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,1,0,0,0,0|1,0,1]=3 651 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,1,0,0,0,0|2,0,1]=4 652 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,1,0,0,0,0|2,0,1]=4 653 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,1,0,0,0,0|2,0,1]=4 654 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,1,0,0,0,0|2,0,1]=4 655 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,1,0,0,0,0|2,0,1]=4 656 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,1,0,0,0,0|2,0,1]=4 657 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,1,0,0,0,0|2,0,1]=4 658 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,1,0,0,0,0|2,0,1]=4 659 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,1,0,0,0,0|0,0,2]=3 660 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,1,0,0,0,0|1,0,2]=4 661 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,1,0,0,0,0|1,0,2]=4 662 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,1,0,0,0,0|1,0,2]=4 663 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,1,0,0,0,0|1,0,2]=4 664 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 665 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 666 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 667 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 668 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,1,0,0,0,0|3,0,0]=4 669 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [0,1,0,0,0,0|3,0,0]=4 670 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [0,1,0,0,0,0|3,0,0]=4 671 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [0,1,0,0,0,0|3,0,0]=4 672 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 673 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 674 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 675 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,1,0,0,0,0|3,0,0]=4 676 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 677 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 678 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 679 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 680 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 681 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [0,1,0,0,0,0|3,0,0]=4 682 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [0,1,0,0,0,0|3,0,0]=4 683 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [0,1,0,0,0,0|3,0,0]=4 684 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [0,1,0,0,0,0|3,0,0]=4 685 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,1,0,0,0,0|3,0,0]=4 686 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,1,0,0,0,0|3,0,0]=4 687 B10R0.19 CCCN(C)C(=O)CCC#N 11a_100000747261_100011934036 [0,1,0,0,0,0|2,0,1]=4 688 B10R0.19 CCCN(C)C(=O)CCC#N 1626a_100000747261_100011934036 [0,1,0,0,0,0|2,0,1]=4 689 B10R0.19 CCCN(C)C(=O)CCC#N 240690a_100000747261_100011934036 [0,1,0,0,0,0|2,0,1]=4 690 B10R0.19 CCCN(C)C(=O)CCC#N 527a_100000747261_100011934036 [0,1,0,0,0,0|2,0,1]=4 691 B10R0.19 CCCN(C)C(=O)CCOC 11a_100000747261_100000749529 [0,1,0,0,0,0|2,0,0]=3 692 B10R0.19 CCCN(C)C(=O)CCOC 1626a_100000747261_100000749529 [0,1,0,0,0,0|2,0,0]=3 693 B10R0.19 CCCN(C)C(=O)CCOC 240690a_100000747261_100000749529 [0,1,0,0,0,0|2,0,0]=3 694 B10R0.19 CCCN(C)C(=O)CCOC 527a_100000747261_100000749529 [0,1,0,0,0,0|2,0,0]=3 695 B10R0.19 CCCN(C)C(=O)CCSC 11a_100000747261_100000174002 [0,1,0,0,0,0|2,0,0]=3 696 B10R0.19 CCCN(C)C(=O)CCSC 1626a_100000747261_100000174002 [0,1,0,0,0,0|2,0,0]=3 697 B10R0.19 CCCN(C)C(=O)CCSC 240690a_100000747261_100000174002 [0,1,0,0,0,0|2,0,0]=3 698 B10R0.19 CCCN(C)C(=O)CCSC 527a_100000747261_100000174002 [0,1,0,0,0,0|2,0,0]=3 699 B10R0.19 CCCN(C)C(=O)COCC 11a_100000747261_100000211967 [0,1,0,0,0,0|2,0,0]=3 700 B10R0.19 CCCN(C)C(=O)COCC 1626a_100000747261_100000211967 [0,1,0,0,0,0|2,0,0]=3 701 B10R0.19 CCCN(C)C(=O)COCC 240690a_100000747261_100000211967 [0,1,0,0,0,0|2,0,0]=3 702 B10R0.19 CCCN(C)C(=O)COCC 527a_100000747261_100000211967 [0,1,0,0,0,0|2,0,0]=3 703 B10R0.19 CCCN(C)C(=O)CSCC 11a_100000747261_100000230394 [0,1,0,0,0,0|2,0,0]=3 704 B10R0.19 CCCN(C)C(=O)CSCC 1626a_100000747261_100000230394 [0,1,0,0,0,0|2,0,0]=3 705 B10R0.19 CCCN(C)C(=O)CSCC 240690a_100000747261_100000230394 [0,1,0,0,0,0|2,0,0]=3 706 B10R0.19 CCCN(C)C(=O)CSCC 527a_100000747261_100000230394 [0,1,0,0,0,0|2,0,0]=3 707 B10R0.19 CCCN(C)C(=O)NCCF 273464a_100000724931_100000747261 [0,1,0,0,0,0|3,0,0]=4 708 B10R0.19 CCCN(C)C(=O)NCCO 273464a_100000210304_100000747261 [0,1,0,0,0,0|3,0,0]=4 709 B10R0.19 CCCNC(=O)/C(=N/OC)/C 11a_100020643023_100160996864 [0,1,0,0,0,0|3,0,0]=4 710 B10R0.19 CCCNC(=O)/C(=N/OC)/C 240690a_100020643023_100160996864 [0,1,0,0,0,0|3,0,0]=4 711 B10R0.19 CCCNC(=O)C(=O)CC#N 1458a_200011297150_100011214920 [0,1,0,0,0,0|1,0,1]=3 712 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [0,1,0,0,0,0|0,0,0]=1 713 B10R0.19 CCCNC(=O)C(=O)CCF 1458a_200011297150_100011217306 [0,1,0,0,0,0|1,0,0]=2 714 B10R0.19 CCCNC(=O)C(=O)CCO 1458a_200011297150_100000211926 [0,1,0,0,0,0|1,0,0]=2 715 B10R0.19 CCCNC(=O)C(=O)NCC 1626a_100020643023_200011297158 [0,1,0,0,0,0|1,0,0]=2 716 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100015525214_200011297150 [0,1,0,0,0,0|1,0,0]=2 717 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100020643023_200011297158 [0,1,0,0,0,0|1,0,0]=2 718 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100015525214_200011297150 [0,1,0,0,0,0|1,0,0]=2 719 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100020643023_200011297158 [0,1,0,0,0,0|1,0,0]=2 720 B10R0.19 CCCNC(=O)C(=O)NNC 22a_100016993582_200011297150 [0,1,0,0,0,0|2,0,0]=3 721 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,1,0,0,0,0|1,0,0]=2 722 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,1,0,0,0,0|1,0,0]=2 723 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,1,0,0,0,0|1,0,0]=2 724 B10R0.19 CCCNC(=O)C(C)CCC 11a_100020643023_100000210906 [0,1,0,0,0,0|1,0,1]=3 725 B10R0.19 CCCNC(=O)C(C)CCC 1626a_100020643023_100000210906 [0,1,0,0,0,0|1,0,1]=3 726 B10R0.19 CCCNC(=O)C(C)CCC 240690a_100020643023_100000210906 [0,1,0,0,0,0|1,0,1]=3 727 B10R0.19 CCCNC(=O)C(C)CCC 527a_100020643023_100000210906 [0,1,0,0,0,0|1,0,1]=3 728 B10R0.19 CCCNC(=O)C(C)COC 11a_100020643023_100000751857 [0,1,0,0,0,0|2,0,1]=4 729 B10R0.19 CCCNC(=O)C(C)COC 1626a_100020643023_100000751857 [0,1,0,0,0,0|2,0,1]=4 730 B10R0.19 CCCNC(=O)C(C)COC 240690a_100020643023_100000751857 [0,1,0,0,0,0|2,0,1]=4 731 B10R0.19 CCCNC(=O)C(C)COC 527a_100020643023_100000751857 [0,1,0,0,0,0|2,0,1]=4 732 B10R0.19 CCCNC(=O)C(C)CSC 11a_100020643023_100000753918 [0,1,0,0,0,0|2,0,1]=4 733 B10R0.19 CCCNC(=O)C(C)CSC 1626a_100020643023_100000753918 [0,1,0,0,0,0|2,0,1]=4 734 B10R0.19 CCCNC(=O)C(C)CSC 240690a_100020643023_100000753918 [0,1,0,0,0,0|2,0,1]=4 735 B10R0.19 CCCNC(=O)C(C)CSC 527a_100020643023_100000753918 [0,1,0,0,0,0|2,0,1]=4 736 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100015525214_100000230305 [0,1,0,0,0,0|2,0,1]=4 737 B10R0.19 CCCNC(=O)C(C)NCC 2230a_100025744714_100000210202 [0,1,0,0,0,0|2,0,1]=4 738 B10R0.19 CCCNC(=O)C(C)NCC 34a_100025744714_100000210202 [0,1,0,0,0,0|2,0,1]=4 739 B10R0.19 CCCNC(=O)C(C)OCC 11a_100020643023_100000739345 [0,1,0,0,0,0|2,0,1]=4 740 B10R0.19 CCCNC(=O)C(C)OCC 1626a_100020643023_100000739345 [0,1,0,0,0,0|2,0,1]=4 741 B10R0.19 CCCNC(=O)C(C)OCC 240690a_100020643023_100000739345 [0,1,0,0,0,0|2,0,1]=4 742 B10R0.19 CCCNC(=O)C(C)OCC 34a_100121572206_100000230305 [0,1,0,0,0,0|2,0,1]=4 743 B10R0.19 CCCNC(=O)C(C)OCC 527a_100020643023_100000739345 [0,1,0,0,0,0|2,0,1]=4 744 B10R0.19 CCCNC(=O)C(C)SCC 11a_100020643023_100000230601 [0,1,0,0,0,0|2,0,1]=4 745 B10R0.19 CCCNC(=O)C(C)SCC 1626a_100020643023_100000230601 [0,1,0,0,0,0|2,0,1]=4 746 B10R0.19 CCCNC(=O)C(C)SCC 240690a_100020643023_100000230601 [0,1,0,0,0,0|2,0,1]=4 747 B10R0.19 CCCNC(=O)C(C)SCC 527a_100020643023_100000230601 [0,1,0,0,0,0|2,0,1]=4 748 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000210202_100000230305 [0,1,0,0,0,0|2,0,1]=4 749 B10R0.19 CCCNC(=O)C(C)SCC 62a_100000230305_100000210202 [0,1,0,0,0,0|2,0,1]=4 750 B10R0.19 CCCNC(=O)N(C)CCC 2708a_100020643023_100000747261 [0,1,0,0,0,0|2,0,0]=3 751 B10R0.19 CCCNC(=O)N(C)CCC 273464a_100020643023_100000747261 [0,1,0,0,0,0|2,0,0]=3 752 B10R0.19 CCCNC(=O)N(C)CCO 2708a_100020643023_100000210263 [0,1,0,0,0,0|3,0,0]=4 753 B10R0.19 CCCNC(=O)N(C)CCO 273464a_100020643023_100000210263 [0,1,0,0,0,0|3,0,0]=4 754 B10R0.19 CCCNC(=O)[C@@H](O)CCC 240690a_100020643023_100009822183 [0,1,0,0,0,0|0,0,2]=3 755 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [0,1,0,0,0,0|2,0,1]=4 756 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [0,1,0,0,0,0|2,0,1]=4 757 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [0,1,0,0,0,0|2,0,1]=4 758 B10R0.19 CCCOC(=O)C(C)NCC 2230a_100015525214_100000760410 [0,1,0,0,0,0|2,0,1]=4 759 B10R0.19 CCCOC(=O)C(C)OCC 34a_100000037348_100000210202 [0,1,0,0,0,0|2,0,1]=4 760 B10R0.19 CCCOC(=O)C(C)OCC 34a_100121572206_100000760410 [0,1,0,0,0,0|2,0,1]=4 761 B10R0.19 CCCOC(=O)C(C)OCC 7a_100000037348_100000210202 [0,1,0,0,0,0|2,0,1]=4 762 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000210202_100000760410 [0,1,0,0,0,0|2,0,1]=4 763 B10R0.19 CCCOC(=O)C(C)SCC 62a_100000760410_100000210202 [0,1,0,0,0,0|2,0,1]=4 764 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,1,0,0,0,0|2,0,1]=4 765 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,1,0,0,0,0|2,0,1]=4 766 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,1,0,0,0,0|2,0,1]=4 767 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,1,0,0,0,0|2,0,1]=4 768 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [0,1,0,0,0,0|2,0,1]=4 769 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [0,1,0,0,0,0|2,0,1]=4 770 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,1,0,0,0,0|2,0,1]=4 771 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,1,0,0,0,0|2,0,1]=4 772 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,1,0,0,0,0|2,0,1]=4 773 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,1,0,0,0,0|2,0,1]=4 774 B10R0.19 CCC[C@H](O)C(=O)CCC#N 1458a_100009822183_100011215226 [0,1,0,0,0,0|0,0,3]=4 775 B10R0.19 CCC[C@H](O)C(=O)CCCF 1458a_100009822183_100011934791 [0,1,0,0,0,0|0,0,2]=3 776 B10R0.19 CCC[C@H](O)C(=O)CCCO 1458a_100009822183_100011215043 [0,1,0,0,0,0|0,0,2]=3 777 B10R0.19 CCC[C@H](O)C(=O)CCOC 1458a_100009822183_100000233755 [0,1,0,0,0,0|0,0,2]=3 778 B10R0.19 CCC[C@H](O)C(=O)CCSC 1458a_100009822183_100000751147 [0,1,0,0,0,0|0,0,2]=3 779 B10R0.19 CCC[C@H](O)C(=O)NCCF 240690a_100000724931_100009822183 [0,1,0,0,0,0|1,0,2]=4 780 B10R0.19 CCC[C@H](O)C(=O)NCCO 240690a_100000210304_100009822183 [0,1,0,0,0,0|1,0,2]=4 781 B10R0.19 CCC[C@H](O)C(=O)NNCC 22a_100000756455_100009822183 [0,1,0,0,0,0|1,0,2]=4 782 B10R0.19 CCNC(=O)C(=O)CCC#N 1458a_200011297158_100011215226 [0,1,0,0,0,0|1,0,1]=3 783 B10R0.19 CCNC(=O)C(=O)CCCF 1458a_200011297158_100011934791 [0,1,0,0,0,0|1,0,0]=2 784 B10R0.19 CCNC(=O)C(=O)CCCO 1458a_200011297158_100011215043 [0,1,0,0,0,0|1,0,0]=2 785 B10R0.19 CCNC(=O)C(=O)CCOC 1458a_200011297158_100000233755 [0,1,0,0,0,0|1,0,0]=2 786 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,1,0,0,0,0|1,0,0]=2 787 B10R0.19 CCNC(=O)C(=O)NCC#N 1626a_100000734998_200011297158 [0,1,0,0,0,0|2,0,1]=4 788 B10R0.19 CCNC(=O)C(=O)NCC#N 527a_100000734998_200011297158 [0,1,0,0,0,0|2,0,1]=4 789 B10R0.19 CCNC(=O)C(=O)NCCF 1626a_100000724931_200011297158 [0,1,0,0,0,0|2,0,0]=3 790 B10R0.19 CCNC(=O)C(=O)NCCF 240690a_100000724931_200011297158 [0,1,0,0,0,0|2,0,0]=3 791 B10R0.19 CCNC(=O)C(=O)NCCF 527a_100000724931_200011297158 [0,1,0,0,0,0|2,0,0]=3 792 B10R0.19 CCNC(=O)C(=O)NCCO 240690a_100000210304_200011297158 [0,1,0,0,0,0|2,0,0]=3 793 B10R0.19 CCNC(=O)C(=O)NCCO 527a_100000210304_200011297158 [0,1,0,0,0,0|2,0,0]=3 794 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [0,1,0,0,0,0|1,0,2]=4 795 B10R0.19 CCNC(=O)N(C)CCCO 2708a_100015525214_100000213112 [0,1,0,0,0,0|3,0,0]=4 796 B10R0.19 CCNC(=O)N(C)CCCO 273464a_100015525214_100000213112 [0,1,0,0,0,0|3,0,0]=4 797 B10R0.19 CCNC(=O)N(C)CCOC 2708a_100015525214_100000743101 [0,1,0,0,0,0|3,0,0]=4 798 B10R0.19 CCNC(=O)N(C)CCOC 273464a_100015525214_100000743101 [0,1,0,0,0,0|3,0,0]=4 799 B10R0.19 CCNC(=O)N(C)CCSC 2708a_100015525214_100000686725 [0,1,0,0,0,0|3,0,0]=4 800 B10R0.19 CCNC(=O)N(C)CCSC 273464a_100015525214_100000686725 [0,1,0,0,0,0|3,0,0]=4 801 B10R0.19 CCNN=C(C)C(=O)OCC 4a_100000756455_100000209952 [0,1,0,0,0,0|3,0,0]=4 802 B10R0.19 CCNNC(=O)C(=O)NCC 22a_100000756455_200011297158 [0,1,0,0,0,0|2,0,0]=3 803 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,1,0,0,0,0|1,0,0]=2 804 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,1,0,0,0,0|1,0,0]=2 805 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100000211299_100015361967 [0,1,0,0,0,0|2,0,0]=3 806 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100015361967_100000211299 [0,1,0,0,0,0|2,0,0]=3 807 B10R0.19 CCOC(=O)C(=O)NCC#N 1626a_100000734998_100014798877 [0,1,0,0,0,0|2,0,1]=4 808 B10R0.19 CCOC(=O)C(=O)NCCF 11a_100000724931_100014798877 [0,1,0,0,0,0|2,0,0]=3 809 B10R0.19 CCOC(=O)C(=O)NCCF 1626a_100000724931_100014798877 [0,1,0,0,0,0|2,0,0]=3 810 B10R0.19 CCOC(=O)C(=O)NCCF 240690a_100000724931_100014798877 [0,1,0,0,0,0|2,0,0]=3 811 B10R0.19 CCOC(=O)C(=O)NCCO 240690a_100000210304_100014798877 [0,1,0,0,0,0|2,0,0]=3 812 B10R0.19 CCOC(C)C(=O)CCCF 1458a_100000739345_100011934791 [0,1,0,0,0,0|2,0,1]=4 813 B10R0.19 CCOC(C)C(=O)CCCO 1458a_100000739345_100011215043 [0,1,0,0,0,0|2,0,1]=4 814 B10R0.19 CCOC(C)C(=O)CCOC 1458a_100000739345_100000233755 [0,1,0,0,0,0|2,0,1]=4 815 B10R0.19 CCOC(C)C(=O)CCSC 1458a_100000739345_100000751147 [0,1,0,0,0,0|2,0,1]=4 816 B10R0.19 CCOCC(=O)C(C)CCO 1458a_100000211967_100009893172 [0,1,0,0,0,0|2,0,1]=4 817 B10R0.19 CCOCC(=O)C(C)COC 1458a_100000211967_100000765312 [0,1,0,0,0,0|2,0,1]=4 818 B10R0.19 CCOCC(=O)N(C)CCO 240690a_100000210263_100000211967 [0,1,0,0,0,0|3,0,0]=4 819 B10R0.19 CCOCC(=O)N(C)CCO 527a_100000210263_100000211967 [0,1,0,0,0,0|3,0,0]=4 820 B10R0.19 CCSC(C)C(=O)CCCF 1458a_100000230601_100011934791 [0,1,0,0,0,0|2,0,1]=4 821 B10R0.19 CCSC(C)C(=O)CCCO 1458a_100000230601_100011215043 [0,1,0,0,0,0|2,0,1]=4 822 B10R0.19 CCSC(C)C(=O)CCOC 1458a_100000230601_100000233755 [0,1,0,0,0,0|2,0,1]=4 823 B10R0.19 CCSC(C)C(=O)CCSC 1458a_100000230601_100000751147 [0,1,0,0,0,0|2,0,1]=4 824 B10R0.19 CCSCC(=O)C(C)CCO 1458a_100000230394_100009893172 [0,1,0,0,0,0|2,0,1]=4 825 B10R0.19 CCSCC(=O)C(C)COC 1458a_100000230394_100000765312 [0,1,0,0,0,0|2,0,1]=4 826 B10R0.19 CCSCC(=O)N(C)CCO 240690a_100000210263_100000230394 [0,1,0,0,0,0|3,0,0]=4 827 B10R0.19 CCSCC(=O)N(C)CCO 527a_100000210263_100000230394 [0,1,0,0,0,0|3,0,0]=4 828 B10R0.19 CN(CCCO)C(=O)CCO 240690a_100000213112_100011216618 [0,1,0,0,0,0|3,0,0]=4 829 B10R0.19 CO/N=C(\C)/C(=O)CCCF 1458a_100160996864_100011934791 [0,1,0,0,0,0|3,0,0]=4 830 B10R0.19 CO/N=C(\C)/C(=O)CCCO 1458a_100160996864_100011215043 [0,1,0,0,0,0|3,0,0]=4 831 B10R0.19 CO/N=C(\C)/C(=O)CCSC 1458a_100160996864_100000751147 [0,1,0,0,0,0|3,0,0]=4 832 B10R0.19 COCC(=O)N(C)CCCO 240690a_100000213112_100000210968 [0,1,0,0,0,0|3,0,0]=4 833 B10R0.19 COCC(=O)N(C)CCCO 527a_100000213112_100000210968 [0,1,0,0,0,0|3,0,0]=4 834 B10R0.19 COCC(=O)N(C)CCSC 11a_100000686725_100000210968 [0,1,0,0,0,0|3,0,0]=4 835 B10R0.19 COCC(=O)N(C)CCSC 1626a_100000686725_100000210968 [0,1,0,0,0,0|3,0,0]=4 836 B10R0.19 COCC(=O)N(C)CCSC 240690a_100000686725_100000210968 [0,1,0,0,0,0|3,0,0]=4 837 B10R0.19 COCC(=O)N(C)CCSC 527a_100000686725_100000210968 [0,1,0,0,0,0|3,0,0]=4 838 B10R0.19 COCC(C)C(=O)CCCF 1458a_100000751857_100011934791 [0,1,0,0,0,0|2,0,1]=4 839 B10R0.19 COCC(C)C(=O)CCCO 1458a_100000751857_100011215043 [0,1,0,0,0,0|2,0,1]=4 840 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000174002_100000765312 [0,1,0,0,0,0|2,0,1]=4 841 B10R0.19 COCC(C)C(=O)CCSC 1458a_100000751857_100000751147 [0,1,0,0,0,0|2,0,1]=4 842 B10R0.19 COCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000233755 [0,1,0,0,0,0|3,0,0]=4 843 B10R0.19 COCCC(=O)C(C)CCO 1458a_100000749529_100009893172 [0,1,0,0,0,0|2,0,1]=4 844 B10R0.19 COCCC(=O)C(C)COC 1458a_100000749529_100000765312 [0,1,0,0,0,0|2,0,1]=4 845 B10R0.19 COCCC(=O)C(C)COC 1458a_100000751857_100000233755 [0,1,0,0,0,0|2,0,1]=4 846 B10R0.19 COCCC(=O)C(C)CSC 1458a_100000753918_100000233755 [0,1,0,0,0,0|2,0,1]=4 847 B10R0.19 COCCC(=O)N(C)CCO 240690a_100000210263_100000749529 [0,1,0,0,0,0|3,0,0]=4 848 B10R0.19 COCCC(=O)N(C)CCO 527a_100000210263_100000749529 [0,1,0,0,0,0|3,0,0]=4 849 B10R0.19 COCCN(C)C(=O)CCO 240690a_100000743101_100011216618 [0,1,0,0,0,0|3,0,0]=4 850 B10R0.19 COCCN(C)C(=O)COC 11a_100000743101_100000210968 [0,1,0,0,0,0|3,0,0]=4 851 B10R0.19 COCCN(C)C(=O)COC 1626a_100000743101_100000210968 [0,1,0,0,0,0|3,0,0]=4 852 B10R0.19 COCCN(C)C(=O)COC 240690a_100000743101_100000210968 [0,1,0,0,0,0|3,0,0]=4 853 B10R0.19 COCCN(C)C(=O)COC 527a_100000743101_100000210968 [0,1,0,0,0,0|3,0,0]=4 854 B10R0.19 COCCN(C)C(=O)CSC 11a_100000743101_100000184570 [0,1,0,0,0,0|3,0,0]=4 855 B10R0.19 COCCN(C)C(=O)CSC 1626a_100000743101_100000184570 [0,1,0,0,0,0|3,0,0]=4 856 B10R0.19 COCCN(C)C(=O)CSC 240690a_100000743101_100000184570 [0,1,0,0,0,0|3,0,0]=4 857 B10R0.19 COCCN(C)C(=O)CSC 527a_100000743101_100000184570 [0,1,0,0,0,0|3,0,0]=4 858 B10R0.19 CSCC(=O)N(C)CCCO 240690a_100000213112_100000184570 [0,1,0,0,0,0|3,0,0]=4 859 B10R0.19 CSCC(=O)N(C)CCCO 527a_100000213112_100000184570 [0,1,0,0,0,0|3,0,0]=4 860 B10R0.19 CSCC(C)C(=O)CCCF 1458a_100000753918_100011934791 [0,1,0,0,0,0|2,0,1]=4 861 B10R0.19 CSCC(C)C(=O)CCCO 1458a_100000753918_100011215043 [0,1,0,0,0,0|2,0,1]=4 862 B10R0.19 CSCCC(=O)C(C)CCO 1458a_100000174002_100009893172 [0,1,0,0,0,0|2,0,1]=4 863 B10R0.19 CSCCC(=O)C(C)CSC 1458a_100000753918_100000751147 [0,1,0,0,0,0|2,0,1]=4 864 B10R0.19 CSCCC(=O)N(C)CCO 240690a_100000210263_100000174002 [0,1,0,0,0,0|3,0,0]=4 865 B10R0.19 CSCCC(=O)N(C)CCO 527a_100000210263_100000174002 [0,1,0,0,0,0|3,0,0]=4 866 B10R0.19 CSCCC(O)C(=O)CCF 1458a_100000685904_100011217306 [0,1,0,0,0,0|1,0,2]=4 867 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,1,0,0,0,0|1,0,2]=4 868 B10R0.19 CSCCN(C)C(=O)CCO 240690a_100000686725_100011216618 [0,1,0,0,0,0|3,0,0]=4 869 B10R0.19 CSCCN(C)C(=O)CSC 11a_100000686725_100000184570 [0,1,0,0,0,0|3,0,0]=4 870 B10R0.19 CSCCN(C)C(=O)CSC 1626a_100000686725_100000184570 [0,1,0,0,0,0|3,0,0]=4 871 B10R0.19 CSCCN(C)C(=O)CSC 240690a_100000686725_100000184570 [0,1,0,0,0,0|3,0,0]=4 872 B10R0.19 CSCCN(C)C(=O)CSC 527a_100000686725_100000184570 [0,1,0,0,0,0|3,0,0]=4 873 B10R0.32 C#CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000184674 [0,1,0,0,0,0|1,0,2]=4 874 B10R0.32 C=C(C)CC(=O)/C(=C/CC)/C 1458a_100016988807_100000748629 [0,1,0,0,0,0|1,0,2]=4 875 B10R0.32 C=C(C)CC(=O)C(=O)NCC 1458a_200011297158_100000748629 [0,1,0,0,0,0|1,0,1]=3 876 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [0,1,0,0,0,0|1,0,2]=4 877 B10R0.32 C=C(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000748629 [0,1,0,0,0,0|0,0,3]=4 878 B10R0.32 C=C(C)CN(C)C(=O)CCC 11a_100000225649_100000211992 [0,1,0,0,0,0|2,0,1]=4 879 B10R0.32 C=C(C)CN(C)C(=O)CCC 1626a_100000225649_100000211992 [0,1,0,0,0,0|2,0,1]=4 880 B10R0.32 C=C(C)CN(C)C(=O)CCC 527a_100000225649_100000211992 [0,1,0,0,0,0|2,0,1]=4 881 B10R0.32 C=C(CN(C)C)C(=O)OCC 269982a_100102631434_100000755967 [0,1,0,0,0,0|3,0,0]=4 882 B10R0.32 C=C(F)CC(=O)C(=O)NCC 1458a_200011297158_100009893438 [0,1,0,0,0,0|1,0,2]=4 883 B10R0.32 C=CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210623 [0,1,0,0,0,0|1,0,2]=4 884 B10R0.32 CC(C)CC(=O)C(C)CCO 1458a_100000210554_100009893172 [0,1,0,0,0,0|2,0,1]=4 885 B10R0.32 CC(C)CC(=O)N(C)CCO 240690a_100000210263_100000210554 [0,1,0,0,0,0|3,0,0]=4 886 B10R0.32 CC(C)CC(=O)N(C)CCO 527a_100000210263_100000210554 [0,1,0,0,0,0|3,0,0]=4 887 B10R0.32 CC(C)CC(C)C(=O)CCO 1458a_100011216618_100000731052 [0,1,0,0,0,0|2,0,1]=4 888 B10R0.32 CC(C)CN(C)C(=O)CCO 240690a_100000747067_100011216618 [0,1,0,0,0,0|3,0,0]=4 889 B10R0.32 CC(C)C[C@H](O)C(=O)CCF 1458a_100012027011_100011217306 [0,1,0,0,0,0|1,0,2]=4 890 B10R0.32 CC(C)C[C@H](O)C(=O)CCO 1458a_100012027011_100000211926 [0,1,0,0,0,0|1,0,2]=4 891 B10R0.32 CC(C)NC(=O)C(=O)CC#N 1458a_100011220036_100011214920 [0,1,0,0,0,0|2,0,1]=4 892 B10R0.32 CC(C)NC(=O)C(=O)CCF 1458a_100011220036_100011217306 [0,1,0,0,0,0|2,0,0]=3 893 B10R0.32 CC(C)NC(=O)C(=O)CCO 1458a_100011220036_100000211926 [0,1,0,0,0,0|2,0,0]=3 894 B10R0.32 CC(CCO)C(=O)C[C@@H](C)O 1458a_100011933948_100009893172 [0,1,0,0,0,0|2,0,1]=4 895 B10R0.32 CC(O)CN(C)C(=O)CCO 240690a_100000227577_100011216618 [0,1,0,0,0,0|3,0,0]=4 896 B10R0.32 CC/C=C(\C)/C(=O)CC(C)C 1458a_100016988807_100000210624 [0,1,0,0,0,0|1,0,1]=3 897 B10R0.32 CC/C=C(\C)/C(=O)CC(C)O 1458a_100016988807_100011218427 [0,1,0,0,0,0|1,0,1]=3 898 B10R0.32 CC/C=C(\C)/C(=O)CC(F)F 1458a_100016988807_100011934356 [0,1,0,0,0,0|2,0,1]=4 899 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 11a_100138425928_100016988807 [0,1,0,0,0,0|2,0,1]=4 900 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_100016988807 [0,1,0,0,0,0|2,0,1]=4 901 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 240690a_100138425928_100016988807 [0,1,0,0,0,0|2,0,1]=4 902 B10R0.32 CC/C=C(\C)/C(=O)NC(C)C 527a_100138425928_100016988807 [0,1,0,0,0,0|2,0,1]=4 903 B10R0.32 CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210303 [0,1,0,0,0,0|1,0,0]=2 904 B10R0.32 CCCC(=O)C(C)CC(C)C 1458a_100000211992_100000731052 [0,1,0,0,0,0|1,0,1]=3 905 B10R0.32 CCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210303 [0,1,0,0,0,0|2,0,1]=4 906 B10R0.32 CCCC(=O)N(C)CC(C)C 11a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 907 B10R0.32 CCCC(=O)N(C)CC(C)C 1626a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 908 B10R0.32 CCCC(=O)N(C)CC(C)C 240690a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 909 B10R0.32 CCCC(=O)N(C)CC(C)C 527a_100000747067_100000211992 [0,1,0,0,0,0|2,0,0]=3 910 B10R0.32 CCCC(=O)N(C)CC(C)O 240690a_100000227577_100000211992 [0,1,0,0,0,0|2,0,0]=3 911 B10R0.32 CCCC(=O)N(C)CC(C)O 527a_100000227577_100000211992 [0,1,0,0,0,0|2,0,0]=3 912 B10R0.32 CCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210303 [0,1,0,0,0,0|0,0,2]=3 913 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [0,1,0,0,0,0|1,0,1]=3 914 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [0,1,0,0,0,0|1,0,1]=3 915 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,1,0,0,0,0|1,0,1]=3 916 B10R0.32 CCCC(C)C(=O)CC(F)F 1458a_100000210906_100011934356 [0,1,0,0,0,0|2,0,1]=4 917 B10R0.32 CCCC(C)C(=O)CN(C)C 1458a_100000750896_100000766640 [0,1,0,0,0,0|2,0,1]=4 918 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,1,0,0,0,0|1,0,1]=3 919 B10R0.32 CCCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000766640 [0,1,0,0,0,0|2,0,1]=4 920 B10R0.32 CCCC(C)C(=O)NC(C)C 11a_100138425928_100000210906 [0,1,0,0,0,0|2,0,1]=4 921 B10R0.32 CCCC(C)C(=O)NC(C)C 1626a_100138425928_100000210906 [0,1,0,0,0,0|2,0,1]=4 922 B10R0.32 CCCC(C)C(=O)NC(C)C 240690a_100138425928_100000210906 [0,1,0,0,0,0|2,0,1]=4 923 B10R0.32 CCCC(C)C(=O)NC(C)C 527a_100138425928_100000210906 [0,1,0,0,0,0|2,0,1]=4 924 B10R0.32 CCCN(C)C(=O)CC(C)C 11a_100000747261_100000210554 [0,1,0,0,0,0|2,0,0]=3 925 B10R0.32 CCCN(C)C(=O)CC(C)C 1626a_100000747261_100000210554 [0,1,0,0,0,0|2,0,0]=3 926 B10R0.32 CCCN(C)C(=O)CC(C)C 240690a_100000747261_100000210554 [0,1,0,0,0,0|2,0,0]=3 927 B10R0.32 CCCN(C)C(=O)CC(C)C 527a_100000747261_100000210554 [0,1,0,0,0,0|2,0,0]=3 928 B10R0.32 CCCN(C)C(=O)CN(C)C 11a_100000747261_100000750896 [0,1,0,0,0,0|3,0,0]=4 929 B10R0.32 CCCN(C)C(=O)CN(C)C 240690a_100000747261_100000750896 [0,1,0,0,0,0|3,0,0]=4 930 B10R0.32 CCCN(C)C(=O)CN(C)C 527a_100000747261_100000750896 [0,1,0,0,0,0|3,0,0]=4 931 B10R0.32 CCCN(C)C(=O)C[C@@H](C)O 240690a_100000747261_100011933948 [0,1,0,0,0,0|2,0,0]=3 932 B10R0.32 CCCN(C)C(=O)C[S+](C)C 11a_100000747261_200159257847 [0,1,0,0,0,0|3,0,0]=4 933 B10R0.32 CCCN(C)C(=O)C[S+](C)C 1626a_100000747261_200159257847 [0,1,0,0,0,0|3,0,0]=4 934 B10R0.32 CCCN(C)C(=O)C[S+](C)C 240690a_100000747261_200159257847 [0,1,0,0,0,0|3,0,0]=4 935 B10R0.32 CCCN(C)C(=O)C[S+](C)C 527a_100000747261_200159257847 [0,1,0,0,0,0|3,0,0]=4 936 B10R0.32 CCCN(C)C(=O)NC(C)C 2708a_100138425928_100000747261 [0,1,0,0,0,0|3,0,0]=4 937 B10R0.32 CCCN(C)C(=O)NC(C)C 273464a_100138425928_100000747261 [0,1,0,0,0,0|3,0,0]=4 938 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [0,1,0,0,0,0|0,0,2]=3 939 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [0,1,0,0,0,0|0,0,2]=3 940 B10R0.32 CCC[C@H](O)C(=O)CC(F)F 1458a_100009822183_100011934356 [0,1,0,0,0,0|1,0,2]=4 941 B10R0.32 CCC[C@H](O)C(=O)NC(C)C 240690a_100138425928_100009822183 [0,1,0,0,0,0|1,0,2]=4 942 B10R0.32 CCNC(=O)C(=O)CC(=O)N 1458a_200011297158_100000187820 [0,1,0,0,0,0|2,0,1]=4 943 B10R0.32 CCNC(=O)C(=O)CC(=O)[O-] 1458a_200011297158_100020667443 [0,1,0,0,0,0|2,0,1]=4 944 B10R0.32 CCNC(=O)C(=O)CC(C)C 1458a_200011297158_100000210624 [0,1,0,0,0,0|1,0,0]=2 945 B10R0.32 CCNC(=O)C(=O)CC(C)O 1458a_200011297158_100011218427 [0,1,0,0,0,0|1,0,0]=2 946 B10R0.32 CCNC(=O)C(=O)CC(F)F 1458a_200011297158_100011934356 [0,1,0,0,0,0|2,0,0]=3 947 B10R0.32 CCNC(=O)C(=O)C[N+](=O)[O-] 1458a_200011297158_100000761209 [0,1,0,0,0,0|3,0,0]=4 948 B10R0.32 CCNC(=O)C(=O)NC(C)C 1626a_100138425928_200011297158 [0,1,0,0,0,0|2,0,0]=3 949 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100015525214_100011220036 [0,1,0,0,0,0|2,0,0]=3 950 B10R0.32 CCNC(=O)C(=O)NC(C)C 240690a_100138425928_200011297158 [0,1,0,0,0,0|2,0,0]=3 951 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100015525214_100011220036 [0,1,0,0,0,0|2,0,0]=3 952 B10R0.32 CCNC(=O)C(=O)NC(C)C 527a_100138425928_200011297158 [0,1,0,0,0,0|2,0,0]=3 953 B10R0.32 CCNC(=O)N(C)CC(C)C 2708a_100015525214_100000747067 [0,1,0,0,0,0|3,0,0]=4 954 B10R0.32 CCNC(=O)N(C)CC(C)C 273464a_100015525214_100000747067 [0,1,0,0,0,0|3,0,0]=4 955 B10R0.32 CCNC(=O)N(C)CC(C)O 2708a_100015525214_100000227577 [0,1,0,0,0,0|3,0,0]=4 956 B10R0.32 CCNC(=O)[C@@H](O)CC(C)C 240690a_100015525214_100012027011 [0,1,0,0,0,0|1,0,2]=4 957 B10R0.32 CCOC(=O)C(=O)CN(C)C 269982a_100102631434_100000211299 [0,1,0,0,0,0|2,0,0]=3 958 B10R0.32 CCOC(=O)C(=O)NC(C)C 11a_100138425928_100014798877 [0,1,0,0,0,0|2,0,0]=3 959 B10R0.32 CCOC(=O)C(=O)NC(C)C 1626a_100138425928_100014798877 [0,1,0,0,0,0|2,0,0]=3 960 B10R0.32 CCOC(=O)C(=O)NC(C)C 240690a_100138425928_100014798877 [0,1,0,0,0,0|2,0,0]=3 961 B10R0.32 CCOC(C)C(=O)CC(C)C 1458a_100000739345_100000210624 [0,1,0,0,0,0|2,0,1]=4 962 B10R0.32 CCOC(C)C(=O)CC(C)O 1458a_100000739345_100011218427 [0,1,0,0,0,0|2,0,1]=4 963 B10R0.32 CCSC(C)C(=O)CC(C)C 1458a_100000230601_100000210624 [0,1,0,0,0,0|2,0,1]=4 964 B10R0.32 CCSC(C)C(=O)CC(C)O 1458a_100000230601_100011218427 [0,1,0,0,0,0|2,0,1]=4 965 B10R0.32 CNNC(=O)C(=O)NC(C)C 22a_100016993582_100011220036 [0,1,0,0,0,0|3,0,0]=4 966 B10R0.32 CO/N=C(\C)/C(=O)CC(C)C 1458a_100160996864_100000210624 [0,1,0,0,0,0|3,0,0]=4 967 B10R0.32 CO/N=C(\C)/C(=O)CC(C)O 1458a_100160996864_100011218427 [0,1,0,0,0,0|3,0,0]=4 968 B10R0.32 COCC(=O)C(C)CC(C)C 1458a_100000210968_100000731052 [0,1,0,0,0,0|2,0,1]=4 969 B10R0.32 COCC(=O)N(C)CC(C)C 11a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 970 B10R0.32 COCC(=O)N(C)CC(C)C 1626a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 971 B10R0.32 COCC(=O)N(C)CC(C)C 240690a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 972 B10R0.32 COCC(=O)N(C)CC(C)C 527a_100000747067_100000210968 [0,1,0,0,0,0|3,0,0]=4 973 B10R0.32 COCC(=O)N(C)CC(C)O 240690a_100000227577_100000210968 [0,1,0,0,0,0|3,0,0]=4 974 B10R0.32 COCC(=O)N(C)CC(C)O 527a_100000227577_100000210968 [0,1,0,0,0,0|3,0,0]=4 975 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000210554_100000765312 [0,1,0,0,0,0|2,0,1]=4 976 B10R0.32 COCC(C)C(=O)CC(C)C 1458a_100000751857_100000210624 [0,1,0,0,0,0|2,0,1]=4 977 B10R0.32 COCC(C)C(=O)CC(C)O 1458a_100000751857_100011218427 [0,1,0,0,0,0|2,0,1]=4 978 B10R0.32 COCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000765312 [0,1,0,0,0,0|2,0,1]=4 979 B10R0.32 CSCC(=O)C(C)CC(C)C 1458a_100000184570_100000731052 [0,1,0,0,0,0|2,0,1]=4 980 B10R0.32 CSCC(=O)N(C)CC(C)C 11a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 981 B10R0.32 CSCC(=O)N(C)CC(C)C 1626a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 982 B10R0.32 CSCC(=O)N(C)CC(C)C 240690a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 983 B10R0.32 CSCC(=O)N(C)CC(C)C 527a_100000747067_100000184570 [0,1,0,0,0,0|3,0,0]=4 984 B10R0.32 CSCC(=O)N(C)CC(C)O 240690a_100000227577_100000184570 [0,1,0,0,0,0|3,0,0]=4 985 B10R0.32 CSCC(=O)N(C)CC(C)O 527a_100000227577_100000184570 [0,1,0,0,0,0|3,0,0]=4 986 B10R0.32 CSCC(C)C(=O)CC(C)C 1458a_100000753918_100000210624 [0,1,0,0,0,0|2,0,1]=4 987 B10R0.32 CSCC(C)C(=O)CC(C)O 1458a_100000753918_100011218427 [0,1,0,0,0,0|2,0,1]=4 988 B10R0.32 C[C@@H](O)CC(=O)N(C)CCO 240690a_100000210263_100011933948 [0,1,0,0,0,0|3,0,0]=4 989 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100000211992_100011219200 [0,1,0,0,0,0|1,0,1]=3 990 B10R0.33 CCCC(=O)C(CC)CCC 1458a_100011416436_100000210303 [0,1,0,0,0,0|1,0,1]=3 991 B10R0.33 CCCC(=O)C(CCC)OC 34a_200011216804_200000210301 [0,1,0,0,0,0|0,0,2]=3 992 B10R0.33 CCCC(=O)C(CCC)OC 7a_200011216804_200000210301 [0,1,0,0,0,0|0,0,2]=3 993 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 34a_200011216804_200025704644 [0,1,0,0,0,0|0,0,2]=3 994 B10R0.33 CCCC(=O)C(CCC)O[13CH3] 7a_200011216804_200025704644 [0,1,0,0,0,0|0,0,2]=3 995 B10R0.33 CCCC(=O)N(CC)CCC 11a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 996 B10R0.33 CCCC(=O)N(CC)CCC 1626a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 997 B10R0.33 CCCC(=O)N(CC)CCC 240690a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 998 B10R0.33 CCCC(=O)N(CC)CCC 527a_100000226822_100000211992 [0,1,0,0,0,0|2,0,0]=3 999 B10R0.33 CCCC(=O)N(CC)CCO 240690a_100000210973_100000211992 [0,1,0,0,0,0|3,0,0]=4 1000 B10R0.33 CCCC(=O)N(CC)CCO 527a_100000210973_100000211992 [0,1,0,0,0,0|3,0,0]=4 1001 B10R0.33 CCCC(CC)C(=O)CCF 1458a_100011416436_100011217306 [0,1,0,0,0,0|2,0,1]=4 1002 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011216618_100011219200 [0,1,0,0,0,0|2,0,1]=4 1003 B10R0.33 CCCC(CC)C(=O)CCO 1458a_100011416436_100000211926 [0,1,0,0,0,0|2,0,1]=4 1004 B10R0.33 CCCC(CC)C(=O)COC 1458a_100000210968_100011219200 [0,1,0,0,0,0|2,0,1]=4 1005 B10R0.33 CCCC(CC)C(=O)CSC 1458a_100000184570_100011219200 [0,1,0,0,0,0|2,0,1]=4 1006 B10R0.33 CCCC(CC)C(=O)NCC 11a_100015525214_100011416436 [0,1,0,0,0,0|2,0,1]=4 1007 B10R0.33 CCCC(CC)C(=O)NCC 240690a_100015525214_100011416436 [0,1,0,0,0,0|2,0,1]=4 1008 B10R0.33 CCCC(CC)C(=O)NCC 527a_100015525214_100011416436 [0,1,0,0,0,0|2,0,1]=4 1009 B10R0.33 CCCC(NC)C(=O)OCC 2230a_106832991635_100000695697 [0,1,0,0,0,0|2,0,1]=4 1010 B10R0.33 CCCC(NC)C(=O)OCC 34a_100102657272_100000695697 [0,1,0,0,0,0|2,0,1]=4 1011 B10R0.33 CCCC(NC)C(=O)OCC 7a_106832991635_100000695697 [0,1,0,0,0,0|2,0,1]=4 1012 B10R0.33 CCCC(OC)C(=O)OCC 34a_100138415774_100000695697 [0,1,0,0,0,0|1,0,2]=4 1013 B10R0.33 CCCC(OC)C(=O)OCC 34a_200011218214_200000210301 [0,1,0,0,0,0|1,0,2]=4 1014 B10R0.33 CCCC(OC)C(=O)OCC 7a_200011218214_200000210301 [0,1,0,0,0,0|1,0,2]=4 1015 B10R0.33 CCCC(O[13CH3])C(=O)OCC 34a_200011218214_200025704644 [0,1,0,0,0,0|1,0,2]=4 1016 B10R0.33 CCCC(O[13CH3])C(=O)OCC 7a_200011218214_200025704644 [0,1,0,0,0,0|1,0,2]=4 1017 B10R0.33 CCCC(SC)C(=O)OCC 62a_100000695697_200000210301 [0,1,0,0,0,0|1,1,1]=4 1018 B10R0.33 CCCC(SC)C(=O)OCC 62a_200000210301_100000695697 [0,1,0,0,0,0|1,1,1]=4 1019 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_100000695697_200025704644 [0,1,0,0,0,0|1,1,1]=4 1020 B10R0.33 CCCC(S[13CH3])C(=O)OCC 62a_200025704644_100000695697 [0,1,0,0,0,0|1,1,1]=4 1021 B10R0.33 CCCN(CC)C(=O)CCO 240690a_100000226822_100011216618 [0,1,0,0,0,0|3,0,0]=4 1022 B10R0.33 CCCN(CC)C(=O)COC 11a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 1023 B10R0.33 CCCN(CC)C(=O)COC 1626a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 1024 B10R0.33 CCCN(CC)C(=O)COC 240690a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 1025 B10R0.33 CCCN(CC)C(=O)COC 527a_100000226822_100000210968 [0,1,0,0,0,0|3,0,0]=4 1026 B10R0.33 CCCN(CC)C(=O)CSC 11a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 1027 B10R0.33 CCCN(CC)C(=O)CSC 1626a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 1028 B10R0.33 CCCN(CC)C(=O)CSC 240690a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 1029 B10R0.33 CCCN(CC)C(=O)CSC 527a_100000226822_100000184570 [0,1,0,0,0,0|3,0,0]=4 1030 B10R0.33 CCCN(CC)C(=O)NCC 2708a_100015525214_100000226822 [0,1,0,0,0,0|3,0,0]=4 1031 B10R0.33 CCCN(CC)C(=O)NCC 273464a_100015525214_100000226822 [0,1,0,0,0,0|3,0,0]=4 1032 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000053139_100000210202 [0,1,0,0,0,0|2,0,1]=4 1033 B10R0.33 CCOC(=O)C(C=O)SCC 62a_100000210202_100000053139 [0,1,0,0,0,0|2,0,1]=4 1034 B10R0.35 C#CC(C)C(=O)C(=O)NCC 1458a_200011297158_200000035995 [0,1,0,0,0,0|1,0,2]=4 1035 B10R0.35 CC/C=C(\C)/C(=O)C(C)CC 1458a_100016988807_100000758301 [0,1,0,0,0,0|1,0,1]=3 1036 B10R0.35 CC/C=C(\C)/C(=O)N(C)CC 11a_100000225621_100016988807 [0,1,0,0,0,0|2,0,1]=4 1037 B10R0.35 CC/C=C(\C)/C(=O)N(C)CC 1626a_100000225621_100016988807 [0,1,0,0,0,0|2,0,1]=4 1038 B10R0.35 CC/C=C(\C)/C(=O)N(C)CC 240690a_100000225621_100016988807 [0,1,0,0,0,0|2,0,1]=4 1039 B10R0.35 CC/C=C(\C)/C(=O)N(C)CC 527a_100000225621_100016988807 [0,1,0,0,0,0|2,0,1]=4 1040 B10R0.35 CCC(C)C(=O)/C(=N/OC)/C 1458a_100160996864_100000758301 [0,1,0,0,0,0|3,0,0]=4 1041 B10R0.35 CCC(C)C(=O)C(C)CCO 1458a_100011192722_100009893172 [0,1,0,0,0,0|2,0,1]=4 1042 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100000751857_100000758301 [0,1,0,0,0,0|2,0,1]=4 1043 B10R0.35 CCC(C)C(=O)C(C)COC 1458a_100011192722_100000765312 [0,1,0,0,0,0|2,0,1]=4 1044 B10R0.35 CCC(C)C(=O)C(C)CSC 1458a_100000753918_100000758301 [0,1,0,0,0,0|2,0,1]=4 1045 B10R0.35 CCC(C)C(=O)N(C)CCO 240690a_100000210263_100011192722 [0,1,0,0,0,0|3,0,0]=4 1046 B10R0.35 CCC(C)C(=O)N(C)CCO 527a_100000210263_100011192722 [0,1,0,0,0,0|3,0,0]=4 1047 B10R0.35 CCC(C)N(C)C(=O)CCO 240690a_100000741768_100011216618 [0,1,0,0,0,0|3,0,0]=4 1048 B10R0.35 CCC(C)N(C)C(=O)COC 11a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1049 B10R0.35 CCC(C)N(C)C(=O)COC 1626a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1050 B10R0.35 CCC(C)N(C)C(=O)COC 240690a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1051 B10R0.35 CCC(C)N(C)C(=O)COC 527a_100000741768_100000210968 [0,1,0,0,0,0|3,0,0]=4 1052 B10R0.35 CCC(C)N(C)C(=O)CSC 11a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1053 B10R0.35 CCC(C)N(C)C(=O)CSC 1626a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1054 B10R0.35 CCC(C)N(C)C(=O)CSC 240690a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1055 B10R0.35 CCC(C)N(C)C(=O)CSC 527a_100000741768_100000184570 [0,1,0,0,0,0|3,0,0]=4 1056 B10R0.35 CCC(O)C(=O)C(C)CCO 1458a_100011196387_100009893172 [0,1,0,0,0,0|2,0,1]=4 1057 B10R0.35 CCC(O)C(=O)C(C)COC 1458a_100011196387_100000765312 [0,1,0,0,0,0|2,0,1]=4 1058 B10R0.35 CCC(O)C(=O)N(C)CCO 240690a_100000210263_100011196387 [0,1,0,0,0,0|3,0,0]=4 1059 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [0,1,0,0,0,0|1,0,2]=4 1060 B10R0.35 CCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210303 [0,1,0,0,0,0|2,0,1]=4 1061 B10R0.35 CCCC(=O)N(C)C(C)CC 11a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1062 B10R0.35 CCCC(=O)N(C)C(C)CC 1626a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1063 B10R0.35 CCCC(=O)N(C)C(C)CC 240690a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1064 B10R0.35 CCCC(=O)N(C)C(C)CC 527a_100000741768_100000211992 [0,1,0,0,0,0|2,0,0]=3 1065 B10R0.35 CCCC(=O)N(C)C(C)CO 240690a_100000693034_100000211992 [0,1,0,0,0,0|3,0,0]=4 1066 B10R0.35 CCCC(=O)N(C)C(C)CO 527a_100000693034_100000211992 [0,1,0,0,0,0|3,0,0]=4 1067 B10R0.35 CCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210303 [0,1,0,0,0,0|1,0,2]=4 1068 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100000210906_100000758301 [0,1,0,0,0,0|1,0,1]=3 1069 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100011192722_100000766640 [0,1,0,0,0,0|1,0,1]=3 1070 B10R0.35 CCCC(C)C(=O)C(C)OC 1458a_100000743197_100000766640 [0,1,0,0,0,0|2,0,1]=4 1071 B10R0.35 CCCC(C)C(=O)C(C)SC 1458a_100000149566_100000766640 [0,1,0,0,0,0|2,0,1]=4 1072 B10R0.35 CCCC(C)C(=O)C(O)CC 1458a_100011196387_100000766640 [0,1,0,0,0,0|1,0,1]=3 1073 B10R0.35 CCCC(C)C(=O)C(O)CO 1458a_100011215603_100000766640 [0,1,0,0,0,0|2,0,1]=4 1074 B10R0.35 CCCC(C)C(=O)N(C)CC 11a_100000225621_100000210906 [0,1,0,0,0,0|2,0,1]=4 1075 B10R0.35 CCCC(C)C(=O)N(C)CC 1626a_100000225621_100000210906 [0,1,0,0,0,0|2,0,1]=4 1076 B10R0.35 CCCC(C)C(=O)N(C)CC 240690a_100000225621_100000210906 [0,1,0,0,0,0|2,0,1]=4 1077 B10R0.35 CCCC(C)C(=O)N(C)CC 527a_100000225621_100000210906 [0,1,0,0,0,0|2,0,1]=4 1078 B10R0.35 CCCN(C)C(=O)C(C)CC 11a_100000747261_100011192722 [0,1,0,0,0,0|2,0,0]=3 1079 B10R0.35 CCCN(C)C(=O)C(C)CC 1626a_100000747261_100011192722 [0,1,0,0,0,0|2,0,0]=3 1080 B10R0.35 CCCN(C)C(=O)C(C)CC 240690a_100000747261_100011192722 [0,1,0,0,0,0|2,0,0]=3 1081 B10R0.35 CCCN(C)C(=O)C(C)CC 527a_100000747261_100011192722 [0,1,0,0,0,0|2,0,0]=3 1082 B10R0.35 CCCN(C)C(=O)C(C)OC 11a_100000747261_100000743197 [0,1,0,0,0,0|3,0,0]=4 1083 B10R0.35 CCCN(C)C(=O)C(C)OC 1626a_100000747261_100000743197 [0,1,0,0,0,0|3,0,0]=4 1084 B10R0.35 CCCN(C)C(=O)C(C)OC 240690a_100000747261_100000743197 [0,1,0,0,0,0|3,0,0]=4 1085 B10R0.35 CCCN(C)C(=O)C(C)OC 527a_100000747261_100000743197 [0,1,0,0,0,0|3,0,0]=4 1086 B10R0.35 CCCN(C)C(=O)C(C)SC 11a_100000747261_100000149566 [0,1,0,0,0,0|3,0,0]=4 1087 B10R0.35 CCCN(C)C(=O)C(C)SC 1626a_100000747261_100000149566 [0,1,0,0,0,0|3,0,0]=4 1088 B10R0.35 CCCN(C)C(=O)C(C)SC 240690a_100000747261_100000149566 [0,1,0,0,0,0|3,0,0]=4 1089 B10R0.35 CCCN(C)C(=O)C(C)SC 527a_100000747261_100000149566 [0,1,0,0,0,0|3,0,0]=4 1090 B10R0.35 CCCN(C)C(=O)C(O)CC 240690a_100000747261_100011196387 [0,1,0,0,0,0|2,0,0]=3 1091 B10R0.35 CCCN(C)C(=O)C(O)CO 240690a_100000747261_100011215603 [0,1,0,0,0,0|3,0,0]=4 1092 B10R0.35 CCC[C@H](O)C(=O)C(C)CC 1458a_100009822183_100000758301 [0,1,0,0,0,0|0,0,2]=3 1093 B10R0.35 CCC[C@H](O)C(=O)N(C)CC 240690a_100000225621_100009822183 [0,1,0,0,0,0|1,0,2]=4 1094 B10R0.35 CCNC(=O)C(=O)C(C)C#N 1458a_200011297158_100000703298 [0,1,0,0,0,0|2,0,1]=4 1095 B10R0.35 CCNC(=O)C(=O)C(C)CC 1458a_200011297158_100000758301 [0,1,0,0,0,0|1,0,0]=2 1096 B10R0.35 CCNC(=O)C(=O)N(C)CC 1626a_100000225621_200011297158 [0,1,0,0,0,0|2,0,0]=3 1097 B10R0.35 CCNC(=O)C(=O)N(C)CC 240690a_100000225621_200011297158 [0,1,0,0,0,0|2,0,0]=3 1098 B10R0.35 CCNC(=O)C(=O)N(C)CC 527a_100000225621_200011297158 [0,1,0,0,0,0|2,0,0]=3 1099 B10R0.35 CCNC(=O)N(C)C(C)CC 2708a_100015525214_100000741768 [0,1,0,0,0,0|3,0,0]=4 1100 B10R0.35 CCNC(=O)N(C)C(C)CC 273464a_100015525214_100000741768 [0,1,0,0,0,0|3,0,0]=4 1101 B10R0.35 CCOC(=O)C(=O)C(C)NC 2230a_106832991635_100010256902 [0,1,0,0,0,0|2,0,0]=3 1102 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_100010256902_200000210301 [0,1,0,0,0,0|2,0,0]=3 1103 B10R0.35 CCOC(=O)C(=O)C(C)SC 62a_200000210301_100010256902 [0,1,0,0,0,0|2,0,0]=3 1104 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_100010256902_200025704644 [0,1,0,0,0,0|2,0,0]=3 1105 B10R0.35 CCOC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100010256902 [0,1,0,0,0,0|2,0,0]=3 1106 B10R0.35 CCOC(=O)C(=O)N(C)CC 11a_100000225621_100014798877 [0,1,0,0,0,0|2,0,0]=3 1107 B10R0.35 CCOC(=O)C(=O)N(C)CC 1626a_100000225621_100014798877 [0,1,0,0,0,0|2,0,0]=3 1108 B10R0.35 CCOC(=O)C(=O)N(C)CC 240690a_100000225621_100014798877 [0,1,0,0,0,0|2,0,0]=3 1109 B10R0.35 CCOC(C)C(=O)C(C)CC 1458a_100000739345_100000758301 [0,1,0,0,0,0|2,0,1]=4 1110 B10R0.35 CCSC(C)C(=O)C(C)CC 1458a_100000230601_100000758301 [0,1,0,0,0,0|2,0,1]=4 1111 B10R0.129 CCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210303 [0,1,0,0,0,0|1,0,1]=3 1112 B10R0.129 CCCC(=O)C(C)(C)OCC 1458a_100011458965_100000210303 [0,1,0,0,0,0|2,0,1]=4 1113 B10R0.129 CCCC(C)(C)C(=O)CCF 1458a_100011215034_100011217306 [0,1,0,0,0,0|2,0,1]=4 1114 B10R0.129 CCCC(C)(C)C(=O)CCO 1458a_100011215034_100000211926 [0,1,0,0,0,0|2,0,1]=4 1115 B10R0.129 CCCC(C)(C)C(=O)NCC 11a_100015525214_100011215034 [0,1,0,0,0,0|2,0,1]=4 1116 B10R0.129 CCCC(C)(C)C(=O)NCC 240690a_100015525214_100011215034 [0,1,0,0,0,0|2,0,1]=4 1117 B10R0.129 CCCC(C)(C)C(=O)NCC 527a_100015525214_100011215034 [0,1,0,0,0,0|2,0,1]=4 1118 B10R0.129 CCCN(C)S(=O)(=O)CCC 270084a_100000747261_100000211391 [0,1,0,0,0,0|3,0,0]=4 1119 B10R0.129 CCCN(C)S(=O)(=O)CCC 274078a_100000747261_100000211391 [0,1,0,0,0,0|3,0,0]=4 1120 B10R0.129 CCCN(C)S(=O)(=O)CCC 40a_100000747261_100000054278 [0,1,0,0,0,0|3,0,0]=4 1121 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,0,0,1,0,0|2,0,1]=4 1122 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,0,0,1,0,0|2,0,1]=4 1123 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,0,0,1,0,0|2,0,1]=4 1124 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,0,0,1,0,0|2,0,1]=4 1125 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,0,0,1,0,0|2,0,1]=4 1126 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,0,0,1,0,0|2,0,1]=4 1127 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,0,0,1,0,0|2,0,1]=4 1128 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,0,0,1,0,0|2,0,1]=4 1129 B10R1.11 C#CCC(=O)C1=CCCC1 1458a_100000038896_100000184674 [0,0,0,1,0,0|1,0,2]=4 1130 B10R1.11 C=CCC(=O)C1=CCCC1 1458a_100000038896_100000210623 [0,0,0,1,0,0|1,0,2]=4 1131 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,0,0,1,0,0|1,0,0]=2 1132 B10R1.11 CCCC(=O)C1=CCOC1 1458a_100000139269_100000210303 [0,0,0,1,0,0|2,0,0]=3 1133 B10R1.11 CCCC(=O)C1=COCC1 1458a_100000750620_100000210303 [0,0,0,1,0,0|2,0,0]=3 1134 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,0,0,1,0,0|1,0,1]=3 1135 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,0,0,1,0,0|1,0,1]=3 1136 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,0,0,1,0,0|0,1,1]=3 1137 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,0,0,1,0,0|2,0,1]=4 1138 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,0,0,1,0,0|2,0,1]=4 1139 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,0,0,1,0,0|2,0,0]=3 1140 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,0,0,1,0,0|2,0,0]=3 1141 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 1142 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 1143 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 1144 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,0,0,1,0,0|0,0,2]=3 1145 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,0,0,1,0,0|2,0,0]=3 1146 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,0,0,1,0,0|2,0,0]=3 1147 B10R1.11 CCNC(=O)C1=CCOC1 11a_100015525214_100000139269 [0,0,0,1,0,0|3,0,0]=4 1148 B10R1.11 CCNC(=O)C1=CCOC1 240690a_100015525214_100000139269 [0,0,0,1,0,0|3,0,0]=4 1149 B10R1.11 CCNC(=O)C1=COCC1 240690a_100015525214_100000750620 [0,0,0,1,0,0|3,0,0]=4 1150 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,0,0,1,0,0|2,0,1]=4 1151 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,0,0,1,0,0|2,0,1]=4 1152 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,0,0,1,0,0|2,0,1]=4 1153 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,0,0,1,0,0|1,1,1]=4 1154 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,0,0,1,0,0|1,1,1]=4 1155 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,0,0,1,0,0|1,1,1]=4 1156 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,0,0,1,0,0|3,0,0]=4 1157 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,0,0,1,0,0|3,0,0]=4 1158 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,0,0,1,0,0|1,0,2]=4 1159 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,0,0,1,0,0|1,0,2]=4 1160 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,0,0,1,0,0|1,0,2]=4 1161 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [0,0,0,1,0,0|3,0,0]=4 1162 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [0,0,0,1,0,0|3,0,0]=4 1163 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [0,0,0,1,0,0|3,0,0]=4 1164 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [0,0,0,1,0,0|3,0,0]=4 1165 B10R1.11 CNNC(=O)C1=CCCC1 22a_100016993582_100000038896 [0,0,0,1,0,0|3,0,0]=4 1166 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,0,0,1,0,0|2,0,1]=4 1167 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,0,0,1,0,0|3,0,0]=4 1168 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,0,0,1,0,0|3,0,0]=4 1169 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,0,0,1,0,0|3,0,0]=4 1170 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,0,0,1,0,0|3,0,0]=4 1171 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,0,0,1,0,0|2,0,1]=4 1172 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [0,0,0,1,0,0|3,0,0]=4 1173 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [0,0,0,1,0,0|3,0,0]=4 1174 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [0,0,0,1,0,0|3,0,0]=4 1175 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [0,0,0,1,0,0|3,0,0]=4 1176 B10R1.11 N#CCC(=O)C1=CCCC1 1458a_100000038896_100011214920 [0,0,0,1,0,0|2,0,1]=4 1177 B10R1.11 O=C(CCF)C1=CCCC1 1458a_100000038896_100011217306 [0,0,0,1,0,0|2,0,0]=3 1178 B10R1.11 O=C(CCF)C1=CCOC1 1458a_100000139269_100011217306 [0,0,0,1,0,0|3,0,0]=4 1179 B10R1.11 O=C(CCF)C1=COCC1 1458a_100000750620_100011217306 [0,0,0,1,0,0|3,0,0]=4 1180 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,0,0,1,0,0|2,0,1]=4 1181 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,0,0,1,0,0|1,1,1]=4 1182 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,0,0,1,0,0|1,0,2]=4 1183 B10R1.11 O=C(CCO)C1=CCCC1 1458a_100000038896_100000211926 [0,0,0,1,0,0|2,0,0]=3 1184 B10R1.11 O=C(CCO)C1=CCOC1 1458a_100000139269_100000211926 [0,0,0,1,0,0|3,0,0]=4 1185 B10R1.11 O=C(CCO)C1=COCC1 1458a_100000750620_100000211926 [0,0,0,1,0,0|3,0,0]=4 1186 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,0,0,1,0,0|2,0,1]=4 1187 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,0,0,1,0,0|2,0,1]=4 1188 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,0,0,1,0,0|1,1,1]=4 1189 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,0,0,1,0,0|3,0,0]=4 1190 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,0,0,1,0,0|1,0,2]=4 1191 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [0,0,0,1,0,0|3,0,0]=4 1192 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,0,0,1,0,0|3,0,0]=4 1193 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [0,0,0,1,0,0|3,0,0]=4 1194 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [0,0,0,1,0,0|3,0,0]=4 1195 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 2230a_100016994881_200000210301 [0,0,0,1,0,0|3,0,0]=4 1196 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 269982a_100016994881_200000210301 [0,0,0,1,0,0|3,0,0]=4 1197 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 34a_100016994881_200000210301 [0,0,0,1,0,0|3,0,0]=4 1198 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 2230a_100016994881_200025704644 [0,0,0,1,0,0|3,0,0]=4 1199 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 269982a_100016994881_200025704644 [0,0,0,1,0,0|3,0,0]=4 1200 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 34a_100016994881_200025704644 [0,0,0,1,0,0|3,0,0]=4 1201 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,0,0,1,0,0|2,0,1]=4 1202 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,0,0,1,0,0|2,0,1]=4 1203 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,0,0,1,0,0|1,0,1]=3 1204 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,0,0,1,0,0|2,0,1]=4 1205 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,0,0,1,0,0|2,0,1]=4 1206 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,0,0,1,0,0|2,0,1]=4 1207 B10R1.140 CC1CC(C1)C(=O)CCF 1458a_100000686124_100011217306 [0,0,0,1,0,0|2,0,1]=4 1208 B10R1.140 CC1CC(C1)C(=O)CCO 1458a_100000686124_100000211926 [0,0,0,1,0,0|2,0,1]=4 1209 B10R1.140 CC1CN(C1)C(=O)CCO 240690a_100000702820_100011216618 [0,0,0,1,0,0|3,0,0]=4 1210 B10R1.140 CCCC(=O)C1CC(C1)C 1458a_100000686124_100000210303 [0,0,0,1,0,0|1,0,1]=3 1211 B10R1.140 CCCC(=O)C1CC(C1)F 1458a_100000062598_100000210303 [0,0,0,1,0,0|2,0,1]=4 1212 B10R1.140 CCCC(=O)C1CN(C1)C 1458a_100012002723_100000210303 [0,0,0,1,0,0|2,0,1]=4 1213 B10R1.140 CCCC(=O)N1CC(C1)C 11a_100000702820_100000211992 [0,0,0,1,0,0|2,0,0]=3 1214 B10R1.140 CCCC(=O)N1CC(C1)C 240690a_100000702820_100000211992 [0,0,0,1,0,0|2,0,0]=3 1215 B10R1.140 CCCC(=O)N1CC(C1)C 527a_100000702820_100000211992 [0,0,0,1,0,0|2,0,0]=3 1216 B10R1.140 CCCC(=O)N1CC(C1)F 11a_100000690557_100000211992 [0,0,0,1,0,0|3,0,0]=4 1217 B10R1.140 CCCC(=O)N1CC(C1)F 240690a_100000690557_100000211992 [0,0,0,1,0,0|3,0,0]=4 1218 B10R1.140 CCCC(=O)N1CC(C1)F 527a_100000690557_100000211992 [0,0,0,1,0,0|3,0,0]=4 1219 B10R1.140 CCCC(=O)N1CC(C1)O 11a_100000749847_100000211992 [0,0,0,1,0,0|3,0,0]=4 1220 B10R1.140 CCCC(=O)N1CC(C1)O 240690a_100000749847_100000211992 [0,0,0,1,0,0|3,0,0]=4 1221 B10R1.140 CCCC(=O)N1CC(C1)O 527a_100000749847_100000211992 [0,0,0,1,0,0|3,0,0]=4 1222 B10R1.140 CCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210303 [0,0,0,1,0,0|2,0,1]=4 1223 B10R1.140 CCNC(=O)C1CC(C1)C 11a_100015525214_100000686124 [0,0,0,1,0,0|2,0,1]=4 1224 B10R1.140 CCNC(=O)C1CC(C1)C 240690a_100015525214_100000686124 [0,0,0,1,0,0|2,0,1]=4 1225 B10R1.140 CCNC(=O)C1CC(C1)C 527a_100015525214_100000686124 [0,0,0,1,0,0|2,0,1]=4 1226 B10R1.140 CCNC(=O)N1CC(C1)C 2708a_100015525214_100000702820 [0,0,0,1,0,0|3,0,0]=4 1227 B10R1.140 CCNC(=O)N1CC(C1)C 273464a_100015525214_100000702820 [0,0,0,1,0,0|3,0,0]=4 1228 B10R1.140 COCC(=O)N1CC(C1)C 11a_100000702820_100000210968 [0,0,0,1,0,0|3,0,0]=4 1229 B10R1.140 COCC(=O)N1CC(C1)C 240690a_100000702820_100000210968 [0,0,0,1,0,0|3,0,0]=4 1230 B10R1.140 COCC(=O)N1CC(C1)C 527a_100000702820_100000210968 [0,0,0,1,0,0|3,0,0]=4 1231 B10R1.140 CSCC(=O)N1CC(C1)C 11a_100000702820_100000184570 [0,0,0,1,0,0|3,0,0]=4 1232 B10R1.140 CSCC(=O)N1CC(C1)C 240690a_100000702820_100000184570 [0,0,0,1,0,0|3,0,0]=4 1233 B10R1.140 CSCC(=O)N1CC(C1)C 527a_100000702820_100000184570 [0,0,0,1,0,0|3,0,0]=4 1234 B10R1.212 CC(CCO)C(=O)C1CC1 1458a_100000210395_100009893172 [0,0,0,1,0,0|2,0,1]=4 1235 B10R1.212 CCCC(=O)N(C)C1CC1 11a_100000226674_100000211992 [0,0,0,1,0,0|2,0,0]=3 1236 B10R1.212 CCCC(=O)N(C)C1CC1 1626a_100000226674_100000211992 [0,0,0,1,0,0|2,0,0]=3 1237 B10R1.212 CCCC(=O)N(C)C1CC1 240690a_100000226674_100000211992 [0,0,0,1,0,0|2,0,0]=3 1238 B10R1.212 CCCC(=O)N(C)C1CC1 527a_100000226674_100000211992 [0,0,0,1,0,0|2,0,0]=3 1239 B10R1.212 CCCC(C)C(=O)C1CC1 1458a_100000210395_100000766640 [0,0,0,1,0,0|1,0,1]=3 1240 B10R1.212 CCCC(C)C(=O)C1CO1 1458a_100000701028_100000766640 [0,0,0,1,0,0|2,0,1]=4 1241 B10R1.212 CCCN(C)C(=O)C1CC1 11a_100000747261_100000210395 [0,0,0,1,0,0|2,0,0]=3 1242 B10R1.212 CCCN(C)C(=O)C1CC1 1626a_100000747261_100000210395 [0,0,0,1,0,0|2,0,0]=3 1243 B10R1.212 CCCN(C)C(=O)C1CC1 240690a_100000747261_100000210395 [0,0,0,1,0,0|2,0,0]=3 1244 B10R1.212 CCCN(C)C(=O)C1CC1 527a_100000747261_100000210395 [0,0,0,1,0,0|2,0,0]=3 1245 B10R1.212 CCCN(C)C(=O)C1CO1 11a_100000747261_100000701028 [0,0,0,1,0,0|3,0,0]=4 1246 B10R1.212 CCCN(C)C(=O)C1CO1 1626a_100000747261_100000701028 [0,0,0,1,0,0|3,0,0]=4 1247 B10R1.212 CCCN(C)C(=O)C1CO1 240690a_100000747261_100000701028 [0,0,0,1,0,0|3,0,0]=4 1248 B10R1.212 CCCN(C)C(=O)C1CO1 527a_100000747261_100000701028 [0,0,0,1,0,0|3,0,0]=4 1249 B10R1.212 CCNC(=O)N(C)C1CC1 2708a_100015525214_100000226674 [0,0,0,1,0,0|3,0,0]=4 1250 B10R1.212 CCNC(=O)N(C)C1CC1 273464a_100015525214_100000226674 [0,0,0,1,0,0|3,0,0]=4 1251 B10R1.212 CN(C(=O)CCO)C1CC1 240690a_100000226674_100011216618 [0,0,0,1,0,0|3,0,0]=4 1252 B10R1.212 CN(CCO)C(=O)C1CC1 240690a_100000210263_100000210395 [0,0,0,1,0,0|3,0,0]=4 1253 B10R1.212 CN(CCO)C(=O)C1CC1 527a_100000210263_100000210395 [0,0,0,1,0,0|3,0,0]=4 1254 B10R1.212 COCC(=O)N(C)C1CC1 11a_100000226674_100000210968 [0,0,0,1,0,0|3,0,0]=4 1255 B10R1.212 COCC(=O)N(C)C1CC1 1626a_100000226674_100000210968 [0,0,0,1,0,0|3,0,0]=4 1256 B10R1.212 COCC(=O)N(C)C1CC1 240690a_100000226674_100000210968 [0,0,0,1,0,0|3,0,0]=4 1257 B10R1.212 COCC(=O)N(C)C1CC1 527a_100000226674_100000210968 [0,0,0,1,0,0|3,0,0]=4 1258 B10R1.212 COCC(C)C(=O)C1CC1 1458a_100000210395_100000765312 [0,0,0,1,0,0|2,0,1]=4 1259 B10R1.212 CSCC(=O)N(C)C1CC1 11a_100000226674_100000184570 [0,0,0,1,0,0|3,0,0]=4 1260 B10R1.212 CSCC(=O)N(C)C1CC1 1626a_100000226674_100000184570 [0,0,0,1,0,0|3,0,0]=4 1261 B10R1.212 CSCC(=O)N(C)C1CC1 240690a_100000226674_100000184570 [0,0,0,1,0,0|3,0,0]=4 1262 B10R1.212 CSCC(=O)N(C)C1CC1 527a_100000226674_100000184570 [0,0,0,1,0,0|3,0,0]=4 1263 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,0,0,1,0,0|3,0,0]=4 1264 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,0,0,1,0,0|3,0,0]=4 1265 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,0,0,1,0,0|3,0,0]=4 1266 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,0,0,1,0,0|3,0,0]=4 1267 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,0,0,1,0,0|3,0,0]=4 1268 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,0,0,1,0,0|3,0,0]=4 1269 B10R1.401 CC1(CCC1)C(=O)CCF 1458a_100000684636_100011217306 [0,0,0,1,0,0|2,0,1]=4 1270 B10R1.401 CC1(CCC1)C(=O)CCO 1458a_100000684636_100000211926 [0,0,0,1,0,0|2,0,1]=4 1271 B10R1.401 CCCC(=O)C1(CCC1)C 1458a_100000684636_100000210303 [0,0,0,1,0,0|1,0,1]=3 1272 B10R1.401 CCCC(=O)C1(CCC1)O 1458a_100000242746_100000210303 [0,0,0,1,0,0|0,0,2]=3 1273 B10R1.401 CCCC(=O)C1(COC1)C 1458a_100000094709_100000210303 [0,0,0,1,0,0|2,0,1]=4 1274 B10R1.401 CCCC(=O)C1(COC1)O 1458a_100010273515_100000210303 [0,0,0,1,0,0|1,0,2]=4 1275 B10R1.401 CCNC(=O)C1(CCC1)C 11a_100015525214_100000684636 [0,0,0,1,0,0|2,0,1]=4 1276 B10R1.401 CCNC(=O)C1(CCC1)C 240690a_100015525214_100000684636 [0,0,0,1,0,0|2,0,1]=4 1277 B10R1.401 CCNC(=O)C1(CCC1)C 527a_100015525214_100000684636 [0,0,0,1,0,0|2,0,1]=4 1278 B10R1.401 CCNC(=O)C1(CCC1)O 240690a_100015525214_100000242746 [0,0,0,1,0,0|1,0,2]=4 1279 B10R1.401 O=C(CCF)C1(CCC1)O 1458a_100000242746_100011217306 [0,0,0,1,0,0|1,0,2]=4 1280 B10R1.401 O=C(CCO)C1(CCC1)O 1458a_100000242746_100000211926 [0,0,0,1,0,0|1,0,2]=4 1281 B10R0.2 C#CCC(=O)C=C(C)CCC 1458a_100020676950_100000184674 [0,0,0,0,0,1|1,0,2]=4 1282 B10R0.2 C#CCC(=O)CC(=C)CCC 1458a_100000138376_100000184674 [0,0,0,0,0,1|1,0,2]=4 1283 B10R0.2 C#CCC(=O)CC(=O)CCC 1458a_100011220946_100000747444 [0,0,0,0,0,1|0,0,2]=3 1284 B10R0.2 C#CCC(=O)CC(=O)NCC 1458a_100011220946_100000183381 [0,0,0,0,0,1|1,0,2]=4 1285 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,0,0,0,0,1|1,0,2]=4 1286 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,0,0,0,0,1|1,0,2]=4 1287 B10R0.2 C#CCC(=O)CS(=O)CCC 1458a_100011387404_100000184674 [0,0,0,0,0,1|1,0,2]=4 1288 B10R0.2 C=C(CCC)CC(=O)CC#N 1458a_100000138376_100011214920 [0,0,0,0,0,1|2,0,1]=4 1289 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,0,0,0,0,1|1,0,0]=2 1290 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,0,0,0,0,1|2,0,0]=3 1291 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,0,0,0,0,1|2,0,0]=3 1292 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,0,0,0,0,1|2,0,0]=3 1293 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,0,0,0,0,1|2,0,0]=3 1294 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,0,0,0,0,1|2,0,0]=3 1295 B10R0.2 C=C(CCC)CC(=O)NNC 22a_100016993582_100000138376 [0,0,0,0,0,1|3,0,0]=4 1296 B10R0.2 C=CCC(=O)C=C(C)CCC 1458a_100020676950_100000210623 [0,0,0,0,0,1|1,0,2]=4 1297 B10R0.2 C=CCC(=O)CC(=C)CCC 1458a_100000138376_100000210623 [0,0,0,0,0,1|1,0,2]=4 1298 B10R0.2 C=CCC(=O)CC(=O)CCC 1458a_100000210193_100000747444 [0,0,0,0,0,1|0,0,2]=3 1299 B10R0.2 C=CCC(=O)CC(=O)NCC 1458a_100000210193_100000183381 [0,0,0,0,0,1|1,0,2]=4 1300 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,0,0,0,0,1|1,0,2]=4 1301 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,0,0,0,0,1|1,0,2]=4 1302 B10R0.2 C=CCC(=O)CS(=O)CCC 1458a_100011387404_100000210623 [0,0,0,0,0,1|1,0,2]=4 1303 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,0,0,0,0,1|1,0,2]=4 1304 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,0,0,0,0,1|0,0,2]=3 1305 B10R0.2 CC#CC(=O)CC(=O)NCC 1458a_100000763181_100000183381 [0,0,0,0,0,1|1,0,2]=4 1306 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,0,0,0,0,1|1,0,2]=4 1307 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,0,0,0,0,1|0,0,2]=3 1308 B10R0.2 CC=CC(=O)CC(=O)NCC 1458a_100000210699_100000183381 [0,0,0,0,0,1|1,0,2]=4 1309 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,0,0,0,0,1|1,0,2]=4 1310 B10R0.2 CCCC(=CC(=O)CC#N)C 1458a_100020676950_100011214920 [0,0,0,0,0,1|2,0,1]=4 1311 B10R0.2 CCCC(=CC(=O)CCF)C 1458a_100020676950_100011217306 [0,0,0,0,0,1|2,0,0]=3 1312 B10R0.2 CCCC(=CC(=O)CCO)C 1458a_100020676950_100000211926 [0,0,0,0,0,1|2,0,0]=3 1313 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,0,0,0,0,1|2,0,0]=3 1314 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,0,0,0,0,1|2,0,0]=3 1315 B10R0.2 CCCC(=CC(=O)NNC)C 22a_100016993582_100020676950 [0,0,0,0,0,1|3,0,0]=4 1316 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,0,0,0,0,1|1,0,0]=2 1317 B10R0.2 CCCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747444 [0,0,0,0,0,1|1,0,2]=4 1318 B10R0.2 CCCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747444 [0,0,0,0,0,1|1,0,2]=4 1319 B10R0.2 CCCC(=O)CC(=O)C=CI 1458a_100016256311_100000747444 [0,0,0,0,0,1|1,0,2]=4 1320 B10R0.2 CCCC(=O)CC(=O)CC#N 1458a_100051588842_100000747444 [0,0,0,0,0,1|1,0,1]=3 1321 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,0,0,0,0,1|0,0,0]=1 1322 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,0,0,0,0,1|1,0,0]=2 1323 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,0,0,0,0,1|1,0,0]=2 1324 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,0,0,0,0,1|1,0,0]=2 1325 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,0,0,0,0,1|1,0,0]=2 1326 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,0,0,0,0,1|2,0,0]=3 1327 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,0,0,0,0,1|1,0,0]=2 1328 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,0,0,0,0,1|1,0,0]=2 1329 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,0,0,0,0,1|1,0,1]=3 1330 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,0,0,0,0,1|1,0,1]=3 1331 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,0,0,0,0,1|2,0,1]=4 1332 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,0,0,0,0,1|2,0,0]=3 1333 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,0,0,0,0,1|2,0,0]=3 1334 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,0,0,0,0,1|3,0,0]=4 1335 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,0,0,0,0,1|3,0,0]=4 1336 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,0,0,0,0,1|1,0,0]=2 1337 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,0,0,0,0,1|1,0,1]=3 1338 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,0,0,0,0,1|1,0,1]=3 1339 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,0,0,0,0,1|1,0,1]=3 1340 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,0,0,0,0,1|1,0,1]=3 1341 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,0,0,0,0,1|2,0,1]=4 1342 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,0,0,0,0,1|2,0,1]=4 1343 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,0,0,0,0,1|2,0,1]=4 1344 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,0,0,0,0,1|2,0,1]=4 1345 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,0,0,0,0,1|2,0,1]=4 1346 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,0,0,0,0,1|2,0,1]=4 1347 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,0,0,0,0,1|2,0,1]=4 1348 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,0,0,0,0,1|2,0,1]=4 1349 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,0,0,0,0,1|2,0,1]=4 1350 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,0,0,0,0,1|2,0,1]=4 1351 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,0,0,0,0,1|2,0,1]=4 1352 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,0,0,0,0,1|2,0,1]=4 1353 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,0,0,0,0,1|2,0,1]=4 1354 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,0,0,0,0,1|2,0,1]=4 1355 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,0,0,0,0,1|2,0,1]=4 1356 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,0,0,0,0,1|2,0,1]=4 1357 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,0,0,0,0,1|2,0,1]=4 1358 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,0,0,0,0,1|2,0,1]=4 1359 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,0,0,0,0,1|2,0,1]=4 1360 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,0,0,0,0,1|2,0,1]=4 1361 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,0,0,0,0,1|2,0,1]=4 1362 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,0,0,0,0,1|2,0,1]=4 1363 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,0,0,0,0,1|2,0,1]=4 1364 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,0,0,0,0,1|2,0,1]=4 1365 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,0,0,0,0,1|2,0,1]=4 1366 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,0,0,0,0,1|2,0,1]=4 1367 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,0,0,0,0,1|2,0,1]=4 1368 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,0,0,0,0,1|2,0,1]=4 1369 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,0,0,0,0,1|3,0,0]=4 1370 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,0,0,0,0,1|3,0,0]=4 1371 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,0,0,0,0,1|3,0,0]=4 1372 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,0,0,0,0,1|3,0,0]=4 1373 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,0,0,0,0,1|3,0,0]=4 1374 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,0,0,0,0,1|3,0,0]=4 1375 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,0,0,0,0,1|3,0,0]=4 1376 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,0,0,0,0,1|3,0,0]=4 1377 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,0,0,0,0,1|3,0,0]=4 1378 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,0,0,0,0,1|3,0,0]=4 1379 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,0,0,0,0,1|3,0,0]=4 1380 B10R0.2 CCCS(=O)CC(=O)CC#N 1458a_100011387404_100011214920 [0,0,0,0,0,1|2,0,1]=4 1381 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [0,0,0,0,0,1|2,0,0]=3 1382 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,0,0,0,0,1|2,0,0]=3 1383 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,0,0,0,0,1|2,0,0]=3 1384 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,0,0,0,0,1|2,0,0]=3 1385 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,0,0,0,0,1|2,0,0]=3 1386 B10R0.2 CCCS(=O)CC(=O)NNC 22a_100016993582_100011387404 [0,0,0,0,0,1|3,0,0]=4 1387 B10R0.2 CCNC(=O)CC(=O)CC#N 1458a_100051588842_100000183381 [0,0,0,0,0,1|2,0,1]=4 1388 B10R0.2 CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183381 [0,0,0,0,0,1|2,0,0]=3 1389 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,0,0,0,0,1|2,0,0]=3 1390 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,0,0,0,0,1|2,0,0]=3 1391 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,0,0,0,0,1|2,0,0]=3 1392 B10R0.2 CCNC(=O)NC(=O)CNC 2230a_106832991635_100000183762 [0,0,0,0,0,1|2,0,0]=3 1393 B10R0.2 CCNC(=O)NC(=O)CNC 7a_106832991635_100000183762 [0,0,0,0,0,1|2,0,0]=3 1394 B10R0.2 CCNC(=O)NC(=O)CSC 62a_200000210301_100000183762 [0,0,0,0,0,1|2,0,0]=3 1395 B10R0.2 CCNC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183762 [0,0,0,0,0,1|2,0,0]=3 1396 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,0,0,0,0,1|3,0,0]=4 1397 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,0,0,0,0,1|3,0,0]=4 1398 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,0,0,0,0,1|3,0,0]=4 1399 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,0,0,0,0,1|3,0,0]=4 1400 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,0,0,0,0,1|3,0,0]=4 1401 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,0,0,0,0,1|3,0,0]=4 1402 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,0,0,0,0,1|3,0,0]=4 1403 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,0,0,0,0,1|3,0,0]=4 1404 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,0,0,0,0,1|2,0,1]=4 1405 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,0,0,0,0,1|2,0,1]=4 1406 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,0,0,0,0,1|2,0,0]=3 1407 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,0,0,0,0,1|2,0,0]=3 1408 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,0,0,0,0,1|2,0,0]=3 1409 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,0,0,0,0,1|2,0,0]=3 1410 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,0,0,0,0,1|2,0,0]=3 1411 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,0,0,0,0,1|2,0,0]=3 1412 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,0,0,0,0,1|2,0,0]=3 1413 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,0,0,0,0,1|2,0,0]=3 1414 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,0,0,0,0,1|2,0,0]=3 1415 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,0,0,0,0,1|3,0,0]=4 1416 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,0,0,0,0,1|2,0,0]=3 1417 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,0,0,0,0,1|2,0,0]=3 1418 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,0,0,0,0,1|2,0,0]=3 1419 B10R0.2 COCC(=O)CC(=O)NCO 1458a_100000210968_100000185155 [0,0,0,0,0,1|3,0,0]=4 1420 B10R0.2 CSCC(=O)CC(=O)NCO 1458a_100000184570_100000185155 [0,0,0,0,0,1|3,0,0]=4 1421 B10R0.2 O=C(CCO)CC(=O)NCO 1458a_100011216618_100000185155 [0,0,0,0,0,1|3,0,0]=4 1422 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [2,0,0,0,0,0|1,0,0]=3 1423 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [2,0,0,0,0,0|1,0,0]=3 1424 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [2,0,0,0,0,0|1,0,0]=3 1425 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [2,0,0,0,0,0|1,0,0]=3 1426 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [2,0,0,0,0,0|2,0,0]=4 1427 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,1]=4 1428 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,1]=4 1429 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 1430 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,1]=4 1431 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 1432 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,1]=4 1433 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,1]=4 1434 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [2,0,0,0,0,0|0,0,2]=4 1435 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [2,0,0,0,0,0|1,0,1]=4 1436 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|1,0,1]=4 1437 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|1,0,1]=4 1438 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [2,0,0,0,0,0|1,0,1]=4 1439 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [2,0,0,0,0,0|1,0,1]=4 1440 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [2,0,0,0,0,0|1,0,1]=4 1441 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [2,0,0,0,0,0|1,0,1]=4 1442 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 1443 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 1444 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 1445 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 1446 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 1447 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 1448 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [2,0,0,0,0,0|0,0,1]=3 1449 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [2,0,0,0,0,0|1,0,1]=4 1450 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [2,0,0,0,0,0|1,0,1]=4 1451 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [2,0,0,0,0,0|1,0,1]=4 1452 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [2,0,0,0,0,0|1,0,1]=4 1453 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|0,0,1]=3 1454 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|0,0,1]=3 1455 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,1]=4 1456 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|1,0,1]=4 1457 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,1]=4 1458 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 1459 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 1460 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,1]=4 1461 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 1462 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 1463 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 1464 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 1465 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 1466 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 1467 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [2,0,0,0,0,0|2,0,0]=4 1468 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 1469 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 1470 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 1471 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 1472 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [2,0,0,0,0,0|2,0,0]=4 1473 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [2,0,0,0,0,0|2,0,0]=4 1474 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [2,0,0,0,0,0|1,0,1]=4 1475 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [2,0,0,0,0,0|1,0,1]=4 1476 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [2,0,0,0,0,0|1,0,1]=4 1477 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [2,0,0,0,0,0|1,0,1]=4 1478 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [2,0,0,0,0,0|1,0,1]=4 1479 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [2,0,0,0,0,0|0,0,2]=4 1480 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [2,0,0,0,0,0|0,0,2]=4 1481 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [2,0,0,0,0,0|0,0,2]=4 1482 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [2,0,0,0,0,0|0,0,2]=4 1483 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|0,0,2]=4 1484 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|0,0,1]=3 1485 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [2,0,0,0,0,0|1,0,1]=4 1486 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [2,0,0,0,0,0|1,0,1]=4 1487 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [2,0,0,0,0,0|1,0,1]=4 1488 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [2,0,0,0,0,0|1,0,1]=4 1489 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [2,0,0,0,0,0|1,0,1]=4 1490 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [2,0,0,0,0,0|1,0,1]=4 1491 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [2,0,0,0,0,0|1,0,1]=4 1492 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [2,0,0,0,0,0|1,0,1]=4 1493 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [2,0,0,0,0,0|1,0,1]=4 1494 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|0,0,0]=2 1495 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|1,0,0]=3 1496 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|1,0,0]=3 1497 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|1,0,0]=3 1498 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|1,0,0]=3 1499 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|1,0,0]=3 1500 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|1,0,0]=3 1501 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|1,0,0]=3 1502 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|1,0,0]=3 1503 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|1,0,0]=3 1504 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|1,0,0]=3 1505 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|1,0,0]=3 1506 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1507 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1508 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 1509 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 1510 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [2,0,0,0,0,0|2,0,0]=4 1511 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [2,0,0,0,0,0|2,0,0]=4 1512 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [2,0,0,0,0,0|2,0,0]=4 1513 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [2,0,0,0,0,0|2,0,0]=4 1514 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [2,0,0,0,0,0|2,0,0]=4 1515 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [2,0,0,0,0,0|2,0,0]=4 1516 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|2,0,0]=4 1517 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 1518 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 1519 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 1520 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 1521 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 1522 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1523 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1524 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 1525 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 1526 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1527 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1528 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 1529 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 1530 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 1531 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 1532 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 1533 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1534 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1535 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 1536 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|2,0,0]=4 1537 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|2,0,0]=4 1538 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|2,0,0]=4 1539 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|2,0,0]=4 1540 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|2,0,0]=4 1541 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|2,0,0]=4 1542 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|2,0,0]=4 1543 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|2,0,0]=4 1544 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [2,0,0,0,0,0|2,0,0]=4 1545 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [2,0,0,0,0,0|2,0,0]=4 1546 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [2,0,0,0,0,0|2,0,0]=4 1547 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [2,0,0,0,0,0|2,0,0]=4 1548 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [2,0,0,0,0,0|2,0,0]=4 1549 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [2,0,0,0,0,0|2,0,0]=4 1550 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [2,0,0,0,0,0|1,0,0]=3 1551 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [2,0,0,0,0,0|2,0,0]=4 1552 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [2,0,0,0,0,0|2,0,0]=4 1553 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [2,0,0,0,0,0|2,0,0]=4 1554 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [2,0,0,0,0,0|1,0,0]=3 1555 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [2,0,0,0,0,0|1,0,0]=3 1556 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [2,0,0,0,0,0|1,0,1]=4 1557 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [2,0,0,0,0,0|1,0,1]=4 1558 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [2,0,0,0,0,0|1,0,1]=4 1559 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [2,0,0,0,0,0|1,0,1]=4 1560 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [2,0,0,0,0,0|1,0,1]=4 1561 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 1562 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 1563 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 1564 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [2,0,0,0,0,0|2,0,0]=4 1565 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [2,0,0,0,0,0|0,0,2]=4 1566 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [2,0,0,0,0,0|0,0,2]=4 1567 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|1,0,1]=4 1568 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|1,0,1]=4 1569 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|1,0,1]=4 1570 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 1571 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 1572 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 1573 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [2,0,0,0,0,0|2,0,0]=4 1574 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|0,0,2]=4 1575 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|0,0,2]=4 1576 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [2,0,0,0,0,0|1,0,0]=3 1577 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [2,0,0,0,0,0|2,0,0]=4 1578 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [2,0,0,0,0,0|1,0,0]=3 1579 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [2,0,0,0,0,0|1,0,0]=3 1580 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [2,0,0,0,0,0|1,0,0]=3 1581 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [2,0,0,0,0,0|1,0,0]=3 1582 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [2,0,0,0,0,0|1,0,0]=3 1583 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [2,0,0,0,0,0|1,0,1]=4 1584 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [2,0,0,0,0,0|1,0,0]=3 1585 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [2,0,0,0,0,0|1,0,1]=4 1586 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [2,0,0,0,0,0|1,0,1]=4 1587 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [2,0,0,0,0,0|0,0,2]=4 1588 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [2,0,0,0,0,0|2,0,0]=4 1589 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [2,0,0,0,0,0|2,0,0]=4 1590 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [2,0,0,0,0,0|2,0,0]=4 1591 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [2,0,0,0,0,0|2,0,0]=4 1592 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [2,0,0,0,0,0|2,0,0]=4 1593 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [2,0,0,0,0,0|2,0,0]=4 1594 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [2,0,0,0,0,0|2,0,0]=4 1595 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [2,0,0,0,0,0|2,0,0]=4 1596 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [2,0,0,0,0,0|2,0,0]=4 1597 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [2,0,0,0,0,0|2,0,0]=4 1598 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [2,0,0,0,0,0|2,0,0]=4 1599 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [2,0,0,0,0,0|2,0,0]=4 1600 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [1,1,0,0,0,0|0,0,2]=4 1601 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,1,0,0,0,0|0,0,2]=4 1602 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [1,1,0,0,0,0|1,0,1]=4 1603 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [1,1,0,0,0,0|1,0,1]=4 1604 B9R0.4 CC(C)CC(=O)NCCF 11a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 1605 B9R0.4 CC(C)CC(=O)NCCF 1626a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 1606 B9R0.4 CC(C)CC(=O)NCCF 240690a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 1607 B9R0.4 CC(C)CC(=O)NCCF 527a_100000724931_100000210554 [1,1,0,0,0,0|2,0,0]=4 1608 B9R0.4 CC(C)CC(=O)NCCO 240690a_100000210304_100000210554 [1,1,0,0,0,0|2,0,0]=4 1609 B9R0.4 CC(C)CC(=O)NCCO 527a_100000210304_100000210554 [1,1,0,0,0,0|2,0,0]=4 1610 B9R0.4 CCC#CC(=O)CC(C)C 1458a_100011827653_100000210624 [1,1,0,0,0,0|0,0,2]=4 1611 B9R0.4 CCC#CC(=O)CC(C)O 1458a_100011827653_100011218427 [1,1,0,0,0,0|0,0,2]=4 1612 B9R0.4 CCC=CC(=O)CC(C)C 1458a_100000212282_100000210624 [1,1,0,0,0,0|0,0,1]=3 1613 B9R0.4 CCC=CC(=O)CC(C)O 1458a_100000212282_100011218427 [1,1,0,0,0,0|0,0,1]=3 1614 B9R0.4 CCC=CC(=O)CC(F)F 1458a_100000212282_100011934356 [1,1,0,0,0,0|1,0,1]=4 1615 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [1,1,0,0,0,0|1,0,1]=4 1616 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [1,1,0,0,0,0|1,0,1]=4 1617 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [1,1,0,0,0,0|1,0,1]=4 1618 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|0,0,1]=3 1619 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|0,0,1]=3 1620 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|0,0,1]=3 1621 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [1,1,0,0,0,0|1,0,1]=4 1622 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [1,1,0,0,0,0|1,0,1]=4 1623 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|0,0,1]=3 1624 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [1,1,0,0,0,0|1,0,1]=4 1625 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 1626 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 1627 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 1628 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,1,0,0,0,0|1,0,1]=4 1629 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [1,1,0,0,0,0|1,0,1]=4 1630 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [1,1,0,0,0,0|1,0,0]=3 1631 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [1,1,0,0,0,0|1,0,0]=3 1632 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [1,1,0,0,0,0|1,0,0]=3 1633 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [1,1,0,0,0,0|1,0,0]=3 1634 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [1,1,0,0,0,0|2,0,0]=4 1635 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [1,1,0,0,0,0|2,0,0]=4 1636 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [1,1,0,0,0,0|2,0,0]=4 1637 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [1,1,0,0,0,0|2,0,0]=4 1638 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [1,1,0,0,0,0|2,0,0]=4 1639 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [1,1,0,0,0,0|2,0,0]=4 1640 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [1,1,0,0,0,0|2,0,0]=4 1641 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [1,1,0,0,0,0|2,0,0]=4 1642 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [1,1,0,0,0,0|2,0,0]=4 1643 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,1,0,0,0,0|1,0,0]=3 1644 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [1,1,0,0,0,0|2,0,0]=4 1645 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [1,1,0,0,0,0|2,0,0]=4 1646 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [1,1,0,0,0,0|2,0,0]=4 1647 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [1,1,0,0,0,0|2,0,0]=4 1648 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [1,1,0,0,0,0|2,0,0]=4 1649 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 1650 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 1651 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [1,1,0,0,0,0|2,0,0]=4 1652 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 1653 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [1,1,0,0,0,0|1,0,1]=4 1654 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [1,1,0,0,0,0|2,0,0]=4 1655 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [1,1,0,0,0,0|2,0,0]=4 1656 B9R0.4 CCNNC(=O)CC(C)C 22a_100000756455_100000210554 [1,1,0,0,0,0|2,0,0]=4 1657 B9R0.4 CCNNC(=O)C[C@@H](C)O 22a_100000756455_100011933948 [1,1,0,0,0,0|2,0,0]=4 1658 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [1,1,0,0,0,0|1,0,1]=4 1659 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,1,0,0,0,0|1,0,1]=4 1660 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [1,1,0,0,0,0|1,0,1]=4 1661 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,1,0,0,0,0|1,0,1]=4 1662 B9R0.4 COC=CC(=O)CC(C)C 1458a_100016268678_100000210624 [1,1,0,0,0,0|1,0,1]=4 1663 B9R0.4 COC=CC(=O)CC(C)O 1458a_100016268678_100011218427 [1,1,0,0,0,0|1,0,1]=4 1664 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [1,1,0,0,0,0|1,0,1]=4 1665 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [1,1,0,0,0,0|1,0,1]=4 1666 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,1,0,0,0,0|1,0,1]=4 1667 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,1,0,0,0,0|1,0,1]=4 1668 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [1,1,0,0,0,0|1,0,1]=4 1669 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [1,1,0,0,0,0|1,0,1]=4 1670 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,1,0,0,0,0|1,0,1]=4 1671 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,1,0,0,0,0|1,0,1]=4 1672 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,1,0,0,0,0|1,0,1]=4 1673 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,1,0,0,0,0|1,0,1]=4 1674 B9R0.4 C[C@@H](O)CC(=O)NCCF 240690a_100000724931_100011933948 [1,1,0,0,0,0|2,0,0]=4 1675 B9R0.4 C[C@@H](O)CC(=O)NCCO 240690a_100000210304_100011933948 [1,1,0,0,0,0|2,0,0]=4 1676 B9R0.5 C#CCC(=O)C=CCCC 1458a_100000212230_100000184674 [1,1,0,0,0,0|0,0,2]=4 1677 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,1,0,0,0,0|0,0,2]=4 1678 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,1,0,0,0,0|0,0,2]=4 1679 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [1,1,0,0,0,0|1,0,1]=4 1680 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [1,1,0,0,0,0|1,0,1]=4 1681 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [1,1,0,0,0,0|1,0,1]=4 1682 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [1,1,0,0,0,0|1,0,1]=4 1683 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [1,1,0,0,0,0|0,0,2]=4 1684 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [1,1,0,0,0,0|0,0,2]=4 1685 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,1,0,0,0,0|0,0,2]=4 1686 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,1,0,0,0,0|0,0,2]=4 1687 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [1,1,0,0,0,0|1,0,1]=4 1688 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [1,1,0,0,0,0|1,0,1]=4 1689 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [1,1,0,0,0,0|1,0,1]=4 1690 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [1,1,0,0,0,0|1,0,1]=4 1691 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [1,1,0,0,0,0|1,0,1]=4 1692 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [1,1,0,0,0,0|1,0,1]=4 1693 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [1,1,0,0,0,0|1,0,1]=4 1694 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,1,0,0,0,0|0,0,1]=3 1695 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [1,1,0,0,0,0|1,0,1]=4 1696 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [1,1,0,0,0,0|1,0,1]=4 1697 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 1698 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 1699 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 1700 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,1,0,0,0,0|0,0,1]=3 1701 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [1,1,0,0,0,0|1,0,1]=4 1702 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [1,1,0,0,0,0|1,0,1]=4 1703 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [1,1,0,0,0,0|1,0,1]=4 1704 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,1,0,0,0,0|0,0,2]=4 1705 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [1,1,0,0,0,0|1,0,1]=4 1706 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,1,0,0,0,0|0,0,1]=3 1707 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [1,1,0,0,0,0|1,0,1]=4 1708 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [1,1,0,0,0,0|1,0,1]=4 1709 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,1,0,0,0,0|1,0,1]=4 1710 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [1,1,0,0,0,0|0,0,1]=3 1711 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [1,1,0,0,0,0|0,0,1]=3 1712 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,1,0,0,0,0|0,0,2]=4 1713 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,1,0,0,0,0|0,0,2]=4 1714 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|0,0,1]=3 1715 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|0,0,1]=3 1716 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|0,0,1]=3 1717 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|0,0,1]=3 1718 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|0,0,1]=3 1719 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|0,0,1]=3 1720 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|0,0,1]=3 1721 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|0,0,1]=3 1722 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|0,0,1]=3 1723 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|0,0,1]=3 1724 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,1,0,0,0,0|1,0,1]=4 1725 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,1,0,0,0,0|1,0,1]=4 1726 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,1,0,0,0,0|1,0,1]=4 1727 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,1,0,0,0,0|1,0,1]=4 1728 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,1,0,0,0,0|1,0,1]=4 1729 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,1,0,0,0,0|1,0,1]=4 1730 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,1,0,0,0,0|1,0,1]=4 1731 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,1,0,0,0,0|1,0,1]=4 1732 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,1,0,0,0,0|1,0,1]=4 1733 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,1,0,0,0,0|1,0,1]=4 1734 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [1,1,0,0,0,0|1,0,1]=4 1735 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [1,1,0,0,0,0|1,0,1]=4 1736 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [1,1,0,0,0,0|1,0,1]=4 1737 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [1,1,0,0,0,0|1,0,1]=4 1738 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,1,0,0,0,0|1,0,0]=3 1739 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,1,0,0,0,0|1,0,0]=3 1740 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,1,0,0,0,0|1,0,0]=3 1741 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,1,0,0,0,0|1,0,0]=3 1742 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,1,0,0,0,0|1,0,0]=3 1743 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,1,0,0,0,0|1,0,0]=3 1744 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,1,0,0,0,0|1,0,0]=3 1745 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,1,0,0,0,0|1,0,0]=3 1746 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,1,0,0,0,0|1,0,0]=3 1747 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,1,0,0,0,0|1,0,0]=3 1748 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,1,0,0,0,0|1,0,0]=3 1749 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,1,0,0,0,0|1,0,0]=3 1750 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,1,0,0,0,0|1,0,0]=3 1751 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [1,1,0,0,0,0|2,0,0]=4 1752 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,1,0,0,0,0|1,0,0]=3 1753 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,1,0,0,0,0|1,0,0]=3 1754 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,1,0,0,0,0|1,0,0]=3 1755 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [1,1,0,0,0,0|2,0,0]=4 1756 B9R0.5 CCCC=CC(=O)CC#N 1458a_100000212230_100011214920 [1,1,0,0,0,0|1,0,1]=4 1757 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,1,0,0,0,0|0,0,0]=2 1758 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [1,1,0,0,0,0|1,0,0]=3 1759 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [1,1,0,0,0,0|1,0,0]=3 1760 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,1,0,0,0,0|1,0,0]=3 1761 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,1,0,0,0,0|1,0,0]=3 1762 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [1,1,0,0,0,0|2,0,0]=4 1763 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|0,0,1]=3 1764 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|0,0,1]=3 1765 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|1,0,1]=4 1766 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|1,0,1]=4 1767 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|1,0,1]=4 1768 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 1769 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|1,0,1]=4 1770 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 1771 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|1,0,1]=4 1772 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|1,0,1]=4 1773 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,1,0,0,0,0|1,0,1]=4 1774 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,1,0,0,0,0|1,0,1]=4 1775 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,1,0,0,0,0|1,0,1]=4 1776 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,1,0,0,0,0|1,0,1]=4 1777 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,1,0,0,0,0|1,0,1]=4 1778 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 1779 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 1780 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 1781 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|0,0,1]=3 1782 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|0,0,1]=3 1783 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|0,0,1]=3 1784 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|0,0,1]=3 1785 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,1,0,0,0,0|1,0,1]=4 1786 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,1,0,0,0,0|1,0,1]=4 1787 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,1,0,0,0,0|1,0,1]=4 1788 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,1,0,0,0,0|1,0,1]=4 1789 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,1,0,0,0,0|1,0,1]=4 1790 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,1,0,0,0,0|1,0,1]=4 1791 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,1,0,0,0,0|1,0,1]=4 1792 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,1,0,0,0,0|1,0,1]=4 1793 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,1,0,0,0,0|1,0,1]=4 1794 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,1,0,0,0,0|1,0,1]=4 1795 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,1,0,0,0,0|1,0,1]=4 1796 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,1,0,0,0,0|1,0,1]=4 1797 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,1,0,0,0,0|1,0,1]=4 1798 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,1,0,0,0,0|1,0,1]=4 1799 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,1,0,0,0,0|1,0,1]=4 1800 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,1,0,0,0,0|1,0,1]=4 1801 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,1,0,0,0,0|1,0,1]=4 1802 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,1,0,0,0,0|1,0,1]=4 1803 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,1,0,0,0,0|1,0,1]=4 1804 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,1,0,0,0,0|1,0,1]=4 1805 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,1,0,0,0,0|1,0,1]=4 1806 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,1,0,0,0,0|1,0,1]=4 1807 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,1,0,0,0,0|1,0,1]=4 1808 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,1,0,0,0,0|1,0,1]=4 1809 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,1,0,0,0,0|1,0,1]=4 1810 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,1,0,0,0,0|1,0,1]=4 1811 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,1,0,0,0,0|1,0,1]=4 1812 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,1,0,0,0,0|1,0,1]=4 1813 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,1,0,0,0,0|1,0,1]=4 1814 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,1,0,0,0,0|1,0,1]=4 1815 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,1,0,0,0,0|1,0,1]=4 1816 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,1,0,0,0,0|1,0,1]=4 1817 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [1,1,0,0,0,0|2,0,0]=4 1818 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,1,0,0,0,0|1,0,0]=3 1819 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [1,1,0,0,0,0|2,0,0]=4 1820 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [1,1,0,0,0,0|2,0,0]=4 1821 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [1,1,0,0,0,0|2,0,0]=4 1822 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 1823 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,1,0,0,0,0|2,0,0]=4 1824 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,1,0,0,0,0|2,0,0]=4 1825 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|0,0,1]=3 1826 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,1,0,0,0,0|1,0,1]=4 1827 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|1,0,1]=4 1828 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,1,0,0,0,0|1,0,1]=4 1829 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,1,0,0,0,0|1,0,1]=4 1830 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,1,0,0,0,0|1,0,1]=4 1831 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,1,0,0,0,0|1,0,1]=4 1832 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,1,0,0,0,0|1,0,1]=4 1833 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|0,0,1]=3 1834 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|0,0,1]=3 1835 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|0,0,1]=3 1836 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,1,0,0,0,0|1,0,1]=4 1837 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,1,0,0,0,0|1,0,1]=4 1838 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,1,0,0,0,0|1,0,1]=4 1839 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,1,0,0,0,0|1,0,1]=4 1840 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,1,0,0,0,0|1,0,1]=4 1841 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,1,0,0,0,0|1,0,1]=4 1842 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,1,0,0,0,0|1,0,1]=4 1843 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,1,0,0,0,0|1,0,1]=4 1844 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,1,0,0,0,0|1,0,1]=4 1845 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [1,1,0,0,0,0|1,0,1]=4 1846 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [1,1,0,0,0,0|1,0,1]=4 1847 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [1,1,0,0,0,0|1,0,1]=4 1848 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [1,1,0,0,0,0|1,0,1]=4 1849 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,1,0,0,0,0|1,0,1]=4 1850 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,1,0,0,0,0|1,0,1]=4 1851 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,1,0,0,0,0|1,0,1]=4 1852 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,1,0,0,0,0|1,0,1]=4 1853 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,1,0,0,0,0|1,0,1]=4 1854 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,1,0,0,0,0|1,0,1]=4 1855 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,1,0,0,0,0|1,0,1]=4 1856 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,1,0,0,0,0|1,0,1]=4 1857 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,1,0,0,0,0|1,0,1]=4 1858 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,1,0,0,0,0|1,0,1]=4 1859 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,1,0,0,0,0|1,0,1]=4 1860 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,1,0,0,0,0|1,0,1]=4 1861 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,1,0,0,0,0|1,0,1]=4 1862 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,1,0,0,0,0|1,0,1]=4 1863 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 1864 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 1865 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 1866 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 1867 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,1,0,0,0,0|2,0,0]=4 1868 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,1,0,0,0,0|2,0,0]=4 1869 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 1870 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,1,0,0,0,0|2,0,0]=4 1871 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 1872 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,1,0,0,0,0|2,0,0]=4 1873 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 1874 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,1,0,0,0,0|2,0,0]=4 1875 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,1,0,0,0,0|2,0,0]=4 1876 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 1877 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 1878 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 1879 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 1880 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,1,0,0,0,0|2,0,0]=4 1881 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,1,0,0,0,0|2,0,0]=4 1882 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,1,0,0,0,0|1,0,1]=4 1883 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,1,0,0,0,0|1,0,1]=4 1884 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,1,0,0,0,0|1,0,1]=4 1885 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [1,1,0,0,0,0|2,0,0]=4 1886 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [1,1,0,0,0,0|1,0,1]=4 1887 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [1,1,0,0,0,0|1,0,1]=4 1888 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [1,1,0,0,0,0|1,0,1]=4 1889 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [1,1,0,0,0,0|1,0,1]=4 1890 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [1,1,0,0,0,0|1,0,1]=4 1891 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [1,1,0,0,0,0|1,0,1]=4 1892 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [1,1,0,0,0,0|1,0,1]=4 1893 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [1,1,0,0,0,0|1,0,1]=4 1894 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,1,0,0,0,0|1,0,1]=4 1895 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,1,0,0,0,0|1,0,1]=4 1896 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,1,0,0,0,0|1,0,1]=4 1897 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,1,0,0,0,0|1,0,1]=4 1898 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,1,0,0,0,0|1,0,1]=4 1899 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,1,0,0,0,0|1,0,1]=4 1900 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,1,0,0,0,0|1,0,1]=4 1901 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,1,0,0,0,0|1,0,1]=4 1902 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,1,0,0,0,0|1,0,1]=4 1903 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,1,0,0,0,0|1,0,1]=4 1904 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,1,0,0,0,0|1,0,1]=4 1905 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,1,0,0,0,0|1,0,1]=4 1906 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,1,0,0,0,0|2,0,0]=4 1907 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,1,0,0,0,0|2,0,0]=4 1908 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,1,0,0,0,0|2,0,0]=4 1909 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,1,0,0,0,0|2,0,0]=4 1910 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,1,0,0,0,0|2,0,0]=4 1911 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,1,0,0,0,0|2,0,0]=4 1912 B9R0.5 CCOC=CC(=O)CCF 1458a_100016266692_100011217306 [1,1,0,0,0,0|1,0,1]=4 1913 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [1,1,0,0,0,0|1,0,1]=4 1914 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,1,0,0,0,0|1,0,1]=4 1915 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|1,0,1]=4 1916 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|1,0,1]=4 1917 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,1,0,0,0,0|1,0,1]=4 1918 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,1,0,0,0,0|1,0,1]=4 1919 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,1,0,0,0,0|1,0,1]=4 1920 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,1,0,0,0,0|1,0,1]=4 1921 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|1,0,1]=4 1922 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|1,0,1]=4 1923 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,1,0,0,0,0|1,0,1]=4 1924 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,1,0,0,0,0|1,0,1]=4 1925 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1926 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [1,1,0,0,0,0|2,0,0]=4 1927 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [1,1,0,0,0,0|2,0,0]=4 1928 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [1,1,0,0,0,0|2,0,0]=4 1929 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [1,1,0,0,0,0|2,0,0]=4 1930 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [1,1,0,0,0,0|2,0,0]=4 1931 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [1,1,0,0,0,0|2,0,0]=4 1932 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,1,0,0,0,0|1,0,1]=4 1933 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,1,0,0,0,0|1,0,1]=4 1934 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 1935 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 1936 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 1937 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [1,1,0,0,0,0|2,0,0]=4 1938 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [1,1,0,0,0,0|2,0,0]=4 1939 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [1,1,0,0,0,0|2,0,0]=4 1940 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 1941 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 1942 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 1943 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [1,1,0,0,0,0|2,0,0]=4 1944 B9R0.5 COCC=CC(=O)CCF 1458a_100016285016_100011217306 [1,1,0,0,0,0|1,0,1]=4 1945 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [1,1,0,0,0,0|1,0,1]=4 1946 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,1,0,0,0,0|1,0,1]=4 1947 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,1,0,0,0,0|1,0,1]=4 1948 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,1,0,0,0,0|1,0,1]=4 1949 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,1,0,0,0,0|1,0,1]=4 1950 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,1,0,0,0,0|1,0,1]=4 1951 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [1,1,0,0,0,0|2,0,0]=4 1952 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1953 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 1954 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 1955 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [1,1,0,0,0,0|2,0,0]=4 1956 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [1,1,0,0,0,0|2,0,0]=4 1957 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 1958 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 1959 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [1,1,0,0,0,0|2,0,0]=4 1960 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [1,1,0,0,0,0|2,0,0]=4 1961 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [1,1,0,0,0,0|2,0,0]=4 1962 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [1,1,0,0,0,0|2,0,0]=4 1963 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [1,1,0,0,0,0|2,0,0]=4 1964 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [1,1,0,0,0,0|2,0,0]=4 1965 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [1,1,0,0,0,0|2,0,0]=4 1966 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [1,1,0,0,0,0|2,0,0]=4 1967 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [1,1,0,0,0,0|2,0,0]=4 1968 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [1,1,0,0,0,0|2,0,0]=4 1969 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,1,0,0,0,0|1,0,1]=4 1970 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,1,0,0,0,0|1,0,1]=4 1971 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 1972 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 1973 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 1974 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [1,1,0,0,0,0|2,0,0]=4 1975 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [1,1,0,0,0,0|2,0,0]=4 1976 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [1,1,0,0,0,0|2,0,0]=4 1977 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,1,0,0,0,0|1,0,1]=4 1978 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,1,0,0,0,0|1,0,1]=4 1979 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [1,1,0,0,0,0|2,0,0]=4 1980 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 1981 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 1982 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 1983 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [1,1,0,0,0,0|2,0,0]=4 1984 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|1,0,1]=4 1985 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,1,0,0,0,0|1,0,1]=4 1986 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|1,0,1]=4 1987 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|1,0,1]=4 1988 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [1,1,0,0,0,0|2,0,0]=4 1989 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [1,1,0,0,0,0|2,0,0]=4 1990 B9R0.8 CCC#CC(=O)C(C)CC 1458a_100011827653_100000758301 [1,1,0,0,0,0|0,0,2]=4 1991 B9R0.8 CCC(C)C(=O)C=COC 1458a_100016268678_100000758301 [1,1,0,0,0,0|1,0,1]=4 1992 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [1,1,0,0,0,0|1,0,1]=4 1993 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [1,1,0,0,0,0|1,0,1]=4 1994 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [1,1,0,0,0,0|1,0,1]=4 1995 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [1,1,0,0,0,0|1,0,1]=4 1996 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [1,1,0,0,0,0|1,0,1]=4 1997 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [1,1,0,0,0,0|1,0,1]=4 1998 B9R0.8 CCC(C)C(=O)NCCF 11a_100000724931_100011192722 [1,1,0,0,0,0|2,0,0]=4 1999 B9R0.8 CCC(C)C(=O)NCCF 1626a_100000724931_100011192722 [1,1,0,0,0,0|2,0,0]=4 2000 B9R0.8 CCC(C)C(=O)NCCF 240690a_100000724931_100011192722 [1,1,0,0,0,0|2,0,0]=4 2001 B9R0.8 CCC(C)C(=O)NCCF 527a_100000724931_100011192722 [1,1,0,0,0,0|2,0,0]=4 2002 B9R0.8 CCC(C)C(=O)NCCO 240690a_100000210304_100011192722 [1,1,0,0,0,0|2,0,0]=4 2003 B9R0.8 CCC(C)C(=O)NCCO 527a_100000210304_100011192722 [1,1,0,0,0,0|2,0,0]=4 2004 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [1,1,0,0,0,0|1,0,1]=4 2005 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [1,1,0,0,0,0|1,0,1]=4 2006 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [1,1,0,0,0,0|1,0,1]=4 2007 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [1,1,0,0,0,0|1,0,1]=4 2008 B9R0.8 CCC(O)C(=O)NCCF 240690a_100000724931_100011196387 [1,1,0,0,0,0|2,0,0]=4 2009 B9R0.8 CCC(O)C(=O)NCCO 240690a_100000210304_100011196387 [1,1,0,0,0,0|2,0,0]=4 2010 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [1,1,0,0,0,0|1,0,1]=4 2011 B9R0.8 CCC=CC(=O)C(C)CC 1458a_100000212282_100000758301 [1,1,0,0,0,0|0,0,1]=3 2012 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [1,1,0,0,0,0|1,0,1]=4 2013 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [1,1,0,0,0,0|1,0,1]=4 2014 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [1,1,0,0,0,0|1,0,1]=4 2015 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [1,1,0,0,0,0|0,0,1]=3 2016 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [1,1,0,0,0,0|0,0,1]=3 2017 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [1,1,0,0,0,0|1,0,1]=4 2018 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [1,1,0,0,0,0|1,0,1]=4 2019 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|0,0,1]=3 2020 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [1,1,0,0,0,0|1,0,1]=4 2021 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2022 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2023 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2024 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [1,1,0,0,0,0|1,0,1]=4 2025 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [1,1,0,0,0,0|1,0,1]=4 2026 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 2027 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 2028 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 2029 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [1,1,0,0,0,0|1,0,0]=3 2030 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [1,1,0,0,0,0|2,0,0]=4 2031 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [1,1,0,0,0,0|2,0,0]=4 2032 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [1,1,0,0,0,0|2,0,0]=4 2033 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [1,1,0,0,0,0|2,0,0]=4 2034 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [1,1,0,0,0,0|2,0,0]=4 2035 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [1,1,0,0,0,0|2,0,0]=4 2036 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [1,1,0,0,0,0|2,0,0]=4 2037 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 2038 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 2039 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 2040 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [1,1,0,0,0,0|2,0,0]=4 2041 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [1,1,0,0,0,0|2,0,0]=4 2042 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 2043 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 2044 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 2045 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [1,1,0,0,0,0|2,0,0]=4 2046 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [1,1,0,0,0,0|2,0,0]=4 2047 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [1,1,0,0,0,0|2,0,0]=4 2048 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [1,1,0,0,0,0|2,0,0]=4 2049 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [1,1,0,0,0,0|2,0,0]=4 2050 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [1,1,0,0,0,0|1,0,0]=3 2051 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [1,1,0,0,0,0|2,0,0]=4 2052 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 2053 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 2054 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [1,1,0,0,0,0|2,0,0]=4 2055 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [1,1,0,0,0,0|2,0,0]=4 2056 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [1,1,0,0,0,0|2,0,0]=4 2057 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [1,1,0,0,0,0|2,0,0]=4 2058 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [1,1,0,0,0,0|2,0,0]=4 2059 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [1,1,0,0,0,0|2,0,0]=4 2060 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [1,1,0,0,0,0|2,0,0]=4 2061 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [1,1,0,0,0,0|2,0,0]=4 2062 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [1,1,0,0,0,0|2,0,0]=4 2063 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [1,1,0,0,0,0|2,0,0]=4 2064 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [1,1,0,0,0,0|2,0,0]=4 2065 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [1,1,0,0,0,0|2,0,0]=4 2066 B9R0.8 CCNNC(=O)C(C)CC 22a_100000756455_100011192722 [1,1,0,0,0,0|2,0,0]=4 2067 B9R0.8 CCNNC(=O)C(O)CC 22a_100000756455_100011196387 [1,1,0,0,0,0|2,0,0]=4 2068 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [1,1,0,0,0,0|1,0,1]=4 2069 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [1,1,0,0,0,0|1,0,1]=4 2070 B9R0.18 C#CCCC(=O)C=CCC 1458a_100000212282_100000753159 [1,1,0,0,0,0|0,0,2]=4 2071 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [1,1,0,0,0,0|0,0,2]=4 2072 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [1,1,0,0,0,0|0,0,2]=4 2073 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [1,1,0,0,0,0|1,0,1]=4 2074 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [1,1,0,0,0,0|1,0,1]=4 2075 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [1,1,0,0,0,0|1,0,1]=4 2076 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [1,1,0,0,0,0|1,0,1]=4 2077 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [1,1,0,0,0,0|0,0,2]=4 2078 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,1,0,0,0,0|0,0,2]=4 2079 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [1,1,0,0,0,0|0,0,2]=4 2080 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,1,0,0,0,0|0,0,2]=4 2081 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,1,0,0,0,0|0,0,2]=4 2082 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [1,1,0,0,0,0|1,0,1]=4 2083 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [1,1,0,0,0,0|1,0,1]=4 2084 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [1,1,0,0,0,0|1,0,1]=4 2085 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [1,1,0,0,0,0|1,0,1]=4 2086 B9R0.18 CC#CCC(=O)C=CCC 1458a_100000212282_100000748600 [1,1,0,0,0,0|0,0,2]=4 2087 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [1,1,0,0,0,0|0,0,2]=4 2088 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [1,1,0,0,0,0|0,0,2]=4 2089 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,1,0,0,0,0|0,0,2]=4 2090 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,1,0,0,0,0|0,0,2]=4 2091 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [1,1,0,0,0,0|1,0,1]=4 2092 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [1,1,0,0,0,0|1,0,1]=4 2093 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [1,1,0,0,0,0|1,0,1]=4 2094 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [1,1,0,0,0,0|1,0,1]=4 2095 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [1,1,0,0,0,0|0,0,2]=4 2096 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [1,1,0,0,0,0|0,0,2]=4 2097 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [1,1,0,0,0,0|0,0,2]=4 2098 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [1,1,0,0,0,0|0,0,2]=4 2099 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [1,1,0,0,0,0|0,0,2]=4 2100 B9R0.18 CCC=CC(=O)CCC#N 1458a_100000212282_100011215226 [1,1,0,0,0,0|0,0,2]=4 2101 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|0,0,1]=3 2102 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [1,1,0,0,0,0|0,0,1]=3 2103 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [1,1,0,0,0,0|0,0,1]=3 2104 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [1,1,0,0,0,0|0,0,1]=3 2105 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [1,1,0,0,0,0|0,0,1]=3 2106 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [1,1,0,0,0,0|0,0,1]=3 2107 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [1,1,0,0,0,0|0,0,1]=3 2108 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [1,1,0,0,0,0|0,0,1]=3 2109 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [1,1,0,0,0,0|1,0,1]=4 2110 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [1,1,0,0,0,0|1,0,1]=4 2111 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [1,1,0,0,0,0|1,0,1]=4 2112 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [1,1,0,0,0,0|1,0,1]=4 2113 B9R0.18 CCC=CC(=O)NNCC 22a_100000756455_100000212282 [1,1,0,0,0,0|1,0,1]=4 2114 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [1,1,0,0,0,0|1,0,1]=4 2115 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [1,1,0,0,0,0|0,0,2]=4 2116 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [1,1,0,0,0,0|0,0,2]=4 2117 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|0,0,1]=3 2118 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|0,0,1]=3 2119 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|0,0,1]=3 2120 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,1,0,0,0,0|0,0,1]=3 2121 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,1,0,0,0,0|0,0,1]=3 2122 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,1,0,0,0,0|0,0,1]=3 2123 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,1,0,0,0,0|0,0,1]=3 2124 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|0,0,1]=3 2125 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|0,0,1]=3 2126 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|0,0,1]=3 2127 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|0,0,1]=3 2128 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|0,0,1]=3 2129 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|0,0,1]=3 2130 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2131 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2132 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2133 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [1,1,0,0,0,0|1,0,1]=4 2134 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 2135 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,1]=4 2136 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [1,1,0,0,0,0|1,0,1]=4 2137 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [1,1,0,0,0,0|1,0,1]=4 2138 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [1,1,0,0,0,0|1,0,1]=4 2139 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [1,1,0,0,0,0|1,0,1]=4 2140 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [1,1,0,0,0,0|1,0,1]=4 2141 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [1,1,0,0,0,0|1,0,1]=4 2142 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [1,1,0,0,0,0|1,0,1]=4 2143 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [1,1,0,0,0,0|1,0,0]=3 2144 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [1,1,0,0,0,0|1,0,0]=3 2145 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [1,1,0,0,0,0|1,0,0]=3 2146 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [1,1,0,0,0,0|1,0,0]=3 2147 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [1,1,0,0,0,0|1,0,0]=3 2148 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [1,1,0,0,0,0|1,0,0]=3 2149 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [1,1,0,0,0,0|1,0,0]=3 2150 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [1,1,0,0,0,0|1,0,0]=3 2151 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [1,1,0,0,0,0|1,0,0]=3 2152 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [1,1,0,0,0,0|1,0,0]=3 2153 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 2154 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 2155 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 2156 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [1,1,0,0,0,0|1,0,0]=3 2157 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 2158 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [1,1,0,0,0,0|1,0,0]=3 2159 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [1,1,0,0,0,0|1,0,0]=3 2160 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [1,1,0,0,0,0|1,0,0]=3 2161 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [1,1,0,0,0,0|1,0,0]=3 2162 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [1,1,0,0,0,0|1,0,0]=3 2163 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [1,1,0,0,0,0|1,0,0]=3 2164 B9R0.18 CCCNC(=O)CSCF 62a_100000183358_100015361967 [1,1,0,0,0,0|2,0,0]=4 2165 B9R0.18 CCCNC(=O)CSCF 62a_100015361967_100000183358 [1,1,0,0,0,0|2,0,0]=4 2166 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [1,1,0,0,0,0|1,0,0]=3 2167 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [1,1,0,0,0,0|1,0,0]=3 2168 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [1,1,0,0,0,0|1,0,0]=3 2169 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 2170 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [1,1,0,0,0,0|2,0,0]=4 2171 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 2172 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 2173 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 2174 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [1,1,0,0,0,0|2,0,0]=4 2175 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 2176 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 2177 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [1,1,0,0,0,0|2,0,0]=4 2178 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [1,1,0,0,0,0|2,0,0]=4 2179 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [1,1,0,0,0,0|2,0,0]=4 2180 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [1,1,0,0,0,0|1,0,0]=3 2181 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,1,0,0,0,0|1,0,0]=3 2182 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [1,1,0,0,0,0|1,0,0]=3 2183 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [1,1,0,0,0,0|1,0,0]=3 2184 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [1,1,0,0,0,0|2,0,0]=4 2185 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [1,1,0,0,0,0|2,0,0]=4 2186 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [1,1,0,0,0,0|2,0,0]=4 2187 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [1,1,0,0,0,0|2,0,0]=4 2188 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [1,1,0,0,0,0|2,0,0]=4 2189 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [1,1,0,0,0,0|2,0,0]=4 2190 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [1,1,0,0,0,0|2,0,0]=4 2191 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [1,1,0,0,0,0|2,0,0]=4 2192 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [1,1,0,0,0,0|2,0,0]=4 2193 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [1,1,0,0,0,0|2,0,0]=4 2194 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [1,1,0,0,0,0|2,0,0]=4 2195 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [1,1,0,0,0,0|2,0,0]=4 2196 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [1,1,0,0,0,0|1,0,1]=4 2197 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,1]=4 2198 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [1,1,0,0,0,0|1,0,1]=4 2199 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [1,1,0,0,0,0|1,0,1]=4 2200 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 2201 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 2202 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 2203 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 2204 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 2205 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 2206 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [1,1,0,0,0,0|1,0,1]=4 2207 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|1,0,1]=4 2208 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [1,1,0,0,0,0|1,0,1]=4 2209 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [1,1,0,0,0,0|1,0,1]=4 2210 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 2211 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 2212 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 2213 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 2214 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 2215 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 2216 B9R0.18 COC=CC(=O)CCCF 1458a_100016268678_100011934791 [1,1,0,0,0,0|1,0,1]=4 2217 B9R0.18 COC=CC(=O)CCCO 1458a_100016268678_100011215043 [1,1,0,0,0,0|1,0,1]=4 2218 B9R0.18 COC=CC(=O)CCOC 1458a_100016268678_100000233755 [1,1,0,0,0,0|1,0,1]=4 2219 B9R0.18 COC=CC(=O)CCSC 1458a_100016268678_100000751147 [1,1,0,0,0,0|1,0,1]=4 2220 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [1,1,0,0,0,0|1,0,1]=4 2221 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,1,0,0,0,0|1,0,1]=4 2222 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [1,1,0,0,0,0|1,0,1]=4 2223 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [1,1,0,0,0,0|1,0,1]=4 2224 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [1,1,0,0,0,0|1,0,1]=4 2225 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 2226 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 2227 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 2228 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 2229 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 2230 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 2231 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [1,1,0,0,0,0|1,0,1]=4 2232 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,1,0,0,0,0|1,0,1]=4 2233 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [1,1,0,0,0,0|1,0,1]=4 2234 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 2235 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 2236 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 2237 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 2238 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 2239 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 2240 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [1,1,0,0,0,0|1,0,1]=4 2241 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [1,1,0,0,0,0|1,0,1]=4 2242 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [1,1,0,0,0,0|1,0,1]=4 2243 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [1,1,0,0,0,0|1,0,1]=4 2244 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [1,1,0,0,0,0|1,0,1]=4 2245 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [1,1,0,0,0,0|1,0,1]=4 2246 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [1,1,0,0,0,0|1,0,1]=4 2247 B9R0.34 CCC(C)NC(=O)CCO 240690a_100000209981_100011216618 [1,1,0,0,0,0|2,0,0]=4 2248 B9R0.34 CCC(C)NC(=O)CNC 2230a_106832991635_100000182745 [1,1,0,0,0,0|2,0,0]=4 2249 B9R0.34 CCC(C)NC(=O)CNC 34a_100102657272_100000182745 [1,1,0,0,0,0|2,0,0]=4 2250 B9R0.34 CCC(C)NC(=O)CNC 7a_106832991635_100000182745 [1,1,0,0,0,0|2,0,0]=4 2251 B9R0.34 CCC(C)NC(=O)COC 11a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 2252 B9R0.34 CCC(C)NC(=O)COC 1626a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 2253 B9R0.34 CCC(C)NC(=O)COC 240690a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 2254 B9R0.34 CCC(C)NC(=O)COC 34a_100138415774_100000182745 [1,1,0,0,0,0|2,0,0]=4 2255 B9R0.34 CCC(C)NC(=O)COC 527a_100000209981_100000210968 [1,1,0,0,0,0|2,0,0]=4 2256 B9R0.34 CCC(C)NC(=O)CSC 11a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 2257 B9R0.34 CCC(C)NC(=O)CSC 1626a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 2258 B9R0.34 CCC(C)NC(=O)CSC 240690a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 2259 B9R0.34 CCC(C)NC(=O)CSC 527a_100000209981_100000184570 [1,1,0,0,0,0|2,0,0]=4 2260 B9R0.34 CCC(C)NC(=O)CSC 62a_100000182745_200000210301 [1,1,0,0,0,0|2,0,0]=4 2261 B9R0.34 CCC(C)NC(=O)CSC 62a_200000210301_100000182745 [1,1,0,0,0,0|2,0,0]=4 2262 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_100000182745_200025704644 [1,1,0,0,0,0|2,0,0]=4 2263 B9R0.34 CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000182745 [1,1,0,0,0,0|2,0,0]=4 2264 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [1,1,0,0,0,0|1,0,1]=4 2265 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [1,1,0,0,0,0|1,0,1]=4 2266 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [1,1,0,0,0,0|1,0,1]=4 2267 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [1,1,0,0,0,0|1,0,1]=4 2268 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [1,1,0,0,0,0|1,0,1]=4 2269 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [1,1,0,0,0,0|1,0,1]=4 2270 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [1,1,0,0,0,0|0,0,1]=3 2271 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,1,0,0,0,0|0,0,2]=4 2272 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,1,0,0,0,0|0,0,2]=4 2273 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,1,0,0,0,0|0,0,1]=3 2274 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,1,0,0,0,0|0,0,1]=3 2275 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,1,0,0,0,0|0,0,1]=3 2276 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,1,0,0,0,0|0,0,1]=3 2277 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [1,1,0,0,0,0|1,0,1]=4 2278 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [1,1,0,0,0,0|1,0,1]=4 2279 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [1,1,0,0,0,0|1,0,1]=4 2280 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,1,0,0,0,0|0,0,1]=3 2281 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,1,0,0,0,0|1,0,1]=4 2282 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 2283 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 2284 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 2285 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [1,1,0,0,0,0|1,0,0]=3 2286 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [1,1,0,0,0,0|2,0,0]=4 2287 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [1,1,0,0,0,0|2,0,0]=4 2288 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [1,1,0,0,0,0|2,0,0]=4 2289 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [1,1,0,0,0,0|2,0,0]=4 2290 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [1,1,0,0,0,0|2,0,0]=4 2291 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [1,1,0,0,0,0|2,0,0]=4 2292 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [1,1,0,0,0,0|1,0,1]=4 2293 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [1,1,0,0,0,0|1,0,1]=4 2294 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 2295 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 2296 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,1,0,0,0,0|1,0,1]=4 2297 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,1,0,0,0,0|1,0,1]=4 2298 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 2299 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 2300 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 2301 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 2302 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 2303 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 2304 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [1,1,0,0,0,0|1,0,1]=4 2305 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [1,1,0,0,0,0|1,0,1]=4 2306 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [1,1,0,0,0,0|1,0,1]=4 2307 B9R0.40 CCC/C=C(\CC)/CNC 269862a_106832991636_100020616858 [1,1,0,0,0,0|2,0,0]=4 2308 B9R0.40 CCC/C=C(\CC)/COC 34a_200015372368_200000210301 [1,1,0,0,0,0|2,0,0]=4 2309 B9R0.40 CCC/C=C(\CC)/COC 7a_200015372368_200000210301 [1,1,0,0,0,0|2,0,0]=4 2310 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 34a_200015372368_200025704644 [1,1,0,0,0,0|2,0,0]=4 2311 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 7a_200015372368_200025704644 [1,1,0,0,0,0|2,0,0]=4 2312 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [1,1,0,0,0,0|0,0,2]=4 2313 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [1,1,0,0,0,0|0,0,2]=4 2314 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [1,1,0,0,0,0|1,0,1]=4 2315 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [1,1,0,0,0,0|1,0,1]=4 2316 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [1,1,0,0,0,0|1,0,1]=4 2317 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [1,1,0,0,0,0|1,0,1]=4 2318 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [1,1,0,0,0,0|1,0,1]=4 2319 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [1,1,0,0,0,0|1,0,1]=4 2320 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [1,1,0,0,0,0|1,0,1]=4 2321 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [1,1,0,0,0,0|1,0,1]=4 2322 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [1,1,0,0,0,0|1,0,1]=4 2323 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [1,1,0,0,0,0|2,0,0]=4 2324 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [1,1,0,0,0,0|2,0,0]=4 2325 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [1,1,0,0,0,0|2,0,0]=4 2326 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [1,1,0,0,0,0|1,0,1]=4 2327 B9R0.48 CC(O)CNC(=O)CCO 240690a_100000210904_100011216618 [1,1,0,0,0,0|2,0,0]=4 2328 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [1,1,0,0,0,0|0,0,1]=3 2329 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,1,0,0,0,0|0,0,1]=3 2330 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,1,0,0,0,0|0,0,1]=3 2331 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,1,0,0,0,0|0,0,1]=3 2332 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [1,1,0,0,0,0|1,0,1]=4 2333 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [1,1,0,0,0,0|1,0,1]=4 2334 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [1,1,0,0,0,0|1,0,1]=4 2335 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [1,1,0,0,0,0|1,0,1]=4 2336 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [1,1,0,0,0,0|1,0,1]=4 2337 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [1,1,0,0,0,0|1,0,1]=4 2338 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [1,1,0,0,0,0|1,0,0]=3 2339 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [1,1,0,0,0,0|1,0,0]=3 2340 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [1,1,0,0,0,0|1,0,0]=3 2341 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [1,1,0,0,0,0|1,0,0]=3 2342 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [1,1,0,0,0,0|1,0,0]=3 2343 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [1,1,0,0,0,0|1,0,0]=3 2344 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [1,1,0,0,0,0|1,0,0]=3 2345 B9R0.48 CCCC(=O)NCC(F)F 11a_100000765723_100000211992 [1,1,0,0,0,0|2,0,0]=4 2346 B9R0.48 CCCC(=O)NCC(F)F 1626a_100000765723_100000211992 [1,1,0,0,0,0|2,0,0]=4 2347 B9R0.48 CCCC(=O)NCC(F)F 240690a_100000765723_100000211992 [1,1,0,0,0,0|2,0,0]=4 2348 B9R0.48 CCCC(=O)NCC(F)F 527a_100000765723_100000211992 [1,1,0,0,0,0|2,0,0]=4 2349 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [1,1,0,0,0,0|2,0,0]=4 2350 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [1,1,0,0,0,0|1,0,1]=4 2351 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [1,1,0,0,0,0|2,0,0]=4 2352 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [1,1,0,0,0,0|2,0,0]=4 2353 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [1,1,0,0,0,0|1,0,1]=4 2354 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [1,1,0,0,0,0|1,0,1]=4 2355 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [1,1,0,0,0,0|1,0,1]=4 2356 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [1,1,0,0,0,0|1,0,1]=4 2357 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [1,1,0,0,0,0|1,0,1]=4 2358 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 2359 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 2360 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 2361 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 2362 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 2363 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 2364 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 2365 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [1,1,0,0,0,0|2,0,0]=4 2366 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 2367 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [1,1,0,0,0,0|2,0,0]=4 2368 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 2369 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [1,1,0,0,0,0|2,0,0]=4 2370 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [1,1,0,0,0,0|2,0,0]=4 2371 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [1,1,0,0,0,0|2,0,0]=4 2372 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [1,1,0,0,0,0|1,0,1]=4 2373 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [1,1,0,0,0,0|1,0,1]=4 2374 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [1,1,0,0,0,0|2,0,0]=4 2375 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [1,1,0,0,0,0|2,0,0]=4 2376 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [1,1,0,0,0,0|2,0,0]=4 2377 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [1,1,0,0,0,0|2,0,0]=4 2378 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [1,1,0,0,0,0|2,0,0]=4 2379 B9R0.48 COCC(=O)NCC(C)O 11a_100000210904_100000210968 [1,1,0,0,0,0|2,0,0]=4 2380 B9R0.48 COCC(=O)NCC(C)O 240690a_100000210904_100000210968 [1,1,0,0,0,0|2,0,0]=4 2381 B9R0.48 COCC(=O)NCC(C)O 527a_100000210904_100000210968 [1,1,0,0,0,0|2,0,0]=4 2382 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [1,1,0,0,0,0|1,0,1]=4 2383 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [1,1,0,0,0,0|1,0,1]=4 2384 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [1,1,0,0,0,0|2,0,0]=4 2385 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [1,1,0,0,0,0|2,0,0]=4 2386 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [1,1,0,0,0,0|2,0,0]=4 2387 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [1,1,0,0,0,0|2,0,0]=4 2388 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [1,1,0,0,0,0|2,0,0]=4 2389 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [1,1,0,0,0,0|2,0,0]=4 2390 B9R0.48 CSCC(=O)NCC(C)O 11a_100000210904_100000184570 [1,1,0,0,0,0|2,0,0]=4 2391 B9R0.48 CSCC(=O)NCC(C)O 240690a_100000210904_100000184570 [1,1,0,0,0,0|2,0,0]=4 2392 B9R0.48 CSCC(=O)NCC(C)O 527a_100000210904_100000184570 [1,1,0,0,0,0|2,0,0]=4 2393 B9R0.66 CCCNS(=O)(=O)CCC 270084a_100020643023_100000211391 [1,1,0,0,0,0|2,0,0]=4 2394 B9R0.66 CCCNS(=O)(=O)CCC 274078a_100020643023_100000211391 [1,1,0,0,0,0|2,0,0]=4 2395 B9R0.66 CCCNS(=O)(=O)CCC 40a_100020643023_100000054278 [1,1,0,0,0,0|2,0,0]=4 2396 B9R0.6 CC/C=C(\C)/C(=O)C(C)C 1458a_100016988807_100000210206 [1,1,0,0,0,0|1,0,1]=4 2397 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [1,1,0,0,0,0|1,0,0]=3 2398 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [1,1,0,0,0,0|1,0,1]=4 2399 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 2400 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 2401 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 2402 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [1,1,0,0,0,0|2,0,0]=4 2403 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [1,1,0,0,0,0|0,0,2]=4 2404 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [1,1,0,0,0,0|1,0,1]=4 2405 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [1,1,0,0,0,0|1,0,1]=4 2406 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [1,1,0,0,0,0|1,0,1]=4 2407 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [1,1,0,0,0,0|1,0,1]=4 2408 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [1,1,0,0,0,0|1,0,1]=4 2409 B9R0.6 CCCN(C)C(=O)C(C)C 11a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 2410 B9R0.6 CCCN(C)C(=O)C(C)C 1626a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 2411 B9R0.6 CCCN(C)C(=O)C(C)C 240690a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 2412 B9R0.6 CCCN(C)C(=O)C(C)C 527a_100000747261_100000210198 [1,1,0,0,0,0|2,0,0]=4 2413 B9R0.6 CCCN(C)C(=O)C(C)F 11a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 2414 B9R0.6 CCCN(C)C(=O)C(C)F 1626a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 2415 B9R0.6 CCCN(C)C(=O)C(C)F 240690a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 2416 B9R0.6 CCCN(C)C(=O)C(C)F 527a_100000747261_100000062450 [1,1,0,0,0,0|2,0,0]=4 2417 B9R0.6 CCCN(C)C(=O)[C@@H](C)O 240690a_100000747261_100000717761 [1,1,0,0,0,0|2,0,0]=4 2418 B9R0.6 CCCN(C)C(=O)[C@H](C)O 1626a_100000747261_217856618621 [1,1,0,0,0,0|2,0,0]=4 2419 B9R0.6 CCCN(C)C(=O)[C@H](C)O 240690a_100000747261_217856618621 [1,1,0,0,0,0|2,0,0]=4 2420 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [1,1,0,0,0,0|0,0,2]=4 2421 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [1,1,0,0,0,0|1,0,0]=3 2422 B9R0.6 CCNC(=O)C(=O)N(C)C 1626a_100102631434_200011297158 [1,1,0,0,0,0|2,0,0]=4 2423 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100015525214_100011218876 [1,1,0,0,0,0|2,0,0]=4 2424 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100102631434_200011297158 [1,1,0,0,0,0|2,0,0]=4 2425 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100015525214_100011218876 [1,1,0,0,0,0|2,0,0]=4 2426 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100102631434_200011297158 [1,1,0,0,0,0|2,0,0]=4 2427 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [1,1,0,0,0,0|2,0,0]=4 2428 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [1,1,0,0,0,0|2,0,0]=4 2429 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [1,1,0,0,0,0|2,0,0]=4 2430 B9R0.6 CN(C)C(=O)C(=O)CCF 1458a_100011218876_100011217306 [1,1,0,0,0,0|2,0,0]=4 2431 B9R0.6 CN(C)C(=O)C(=O)CCO 1458a_100011218876_100000211926 [1,1,0,0,0,0|2,0,0]=4 2432 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [1,1,0,0,0,0|1,0,1]=4 2433 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [1,1,0,0,0,0|1,0,1]=4 2434 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 2435 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 2436 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 2437 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 2438 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [1,1,0,0,0,0|1,0,1]=4 2439 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [1,1,0,0,0,0|0,0,2]=4 2440 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [1,1,0,0,0,0|1,0,1]=4 2441 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [1,1,0,0,0,0|1,0,1]=4 2442 B9R0.23 C/C=C(\C)/C(=O)CC(C)O 1458a_100020587367_100011218427 [1,1,0,0,0,0|1,0,1]=4 2443 B9R0.23 C=C(C)CC(=O)C(=O)NC 1458a_100011218921_100000748629 [1,1,0,0,0,0|1,0,1]=4 2444 B9R0.23 CC(C)NC(=O)C(=O)CF 1458a_100011220036_100015361967 [1,1,0,0,0,0|2,0,0]=4 2445 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [1,1,0,0,0,0|1,0,0]=3 2446 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [1,1,0,0,0,0|1,0,1]=4 2447 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 2448 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 2449 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 2450 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 2451 B9R0.23 CCC(=O)N(C)CC(C)O 240690a_100000227577_100000210414 [1,1,0,0,0,0|2,0,0]=4 2452 B9R0.23 CCC(=O)N(C)CC(C)O 527a_100000227577_100000210414 [1,1,0,0,0,0|2,0,0]=4 2453 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [1,1,0,0,0,0|0,0,2]=4 2454 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [1,1,0,0,0,0|1,0,1]=4 2455 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [1,1,0,0,0,0|1,0,1]=4 2456 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [1,1,0,0,0,0|1,0,1]=4 2457 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [1,1,0,0,0,0|1,0,1]=4 2458 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [1,1,0,0,0,0|0,0,2]=4 2459 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [1,1,0,0,0,0|0,0,2]=4 2460 B9R0.23 CCN(C)C(=O)CC(C)C 11a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 2461 B9R0.23 CCN(C)C(=O)CC(C)C 1626a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 2462 B9R0.23 CCN(C)C(=O)CC(C)C 240690a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 2463 B9R0.23 CCN(C)C(=O)CC(C)C 527a_100000225621_100000210554 [1,1,0,0,0,0|2,0,0]=4 2464 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 240690a_100000225621_100011933948 [1,1,0,0,0,0|2,0,0]=4 2465 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [1,1,0,0,0,0|1,0,0]=3 2466 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [1,1,0,0,0,0|1,0,0]=3 2467 B9R0.23 CNC(=O)C(=O)CC(F)F 1458a_100011218921_100011934356 [1,1,0,0,0,0|2,0,0]=4 2468 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100102657272_100011220036 [1,1,0,0,0,0|2,0,0]=4 2469 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100138425928_100011218921 [1,1,0,0,0,0|2,0,0]=4 2470 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100102657272_100011220036 [1,1,0,0,0,0|2,0,0]=4 2471 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100138425928_100011218921 [1,1,0,0,0,0|2,0,0]=4 2472 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100102657272_100011220036 [1,1,0,0,0,0|2,0,0]=4 2473 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100138425928_100011218921 [1,1,0,0,0,0|2,0,0]=4 2474 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [1,1,0,0,0,0|2,0,0]=4 2475 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [1,1,0,0,0,0|2,0,0]=4 2476 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [1,1,0,0,0,0|2,0,0]=4 2477 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [1,1,0,0,0,0|2,0,0]=4 2478 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [1,1,0,0,0,0|1,0,1]=4 2479 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 2480 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 2481 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 2482 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [1,1,0,0,0,0|2,0,0]=4 2483 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [1,1,0,0,0,0|1,0,0]=3 2484 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [1,1,0,0,0,0|1,0,1]=4 2485 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [1,1,0,0,0,0|0,0,2]=4 2486 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [1,1,0,0,0,0|2,0,0]=4 2487 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [1,1,0,0,0,0|2,0,0]=4 2488 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [1,1,0,0,0,0|2,0,0]=4 2489 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [1,1,0,0,0,0|2,0,0]=4 2490 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [1,1,0,0,0,0|2,0,0]=4 2491 B9R0.27 CCN(C)C(=O)C(=O)NC 1626a_100000225621_100011218921 [1,1,0,0,0,0|2,0,0]=4 2492 B9R0.27 CCN(C)C(=O)C(=O)NC 240690a_100000225621_100011218921 [1,1,0,0,0,0|2,0,0]=4 2493 B9R0.27 CCN(C)C(=O)C(=O)NC 527a_100000225621_100011218921 [1,1,0,0,0,0|2,0,0]=4 2494 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [1,1,0,0,0,0|2,0,0]=4 2495 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [1,1,0,0,0,0|2,0,0]=4 2496 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [1,1,0,0,0,0|2,0,0]=4 2497 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [1,1,0,0,0,0|2,0,0]=4 2498 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [1,1,0,0,0,0|2,0,0]=4 2499 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [1,1,0,0,0,0|2,0,0]=4 2500 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [1,1,0,0,0,0|2,0,0]=4 2501 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [1,1,0,0,0,0|2,0,0]=4 2502 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [1,1,0,0,0,0|2,0,0]=4 2503 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [1,1,0,0,0,0|2,0,0]=4 2504 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [1,1,0,0,0,0|2,0,0]=4 2505 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [1,1,0,0,0,0|1,0,1]=4 2506 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [1,1,0,0,0,0|1,0,1]=4 2507 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [1,1,0,0,0,0|0,0,2]=4 2508 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 2509 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 2510 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 2511 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [1,1,0,0,0,0|2,0,0]=4 2512 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [1,1,0,0,0,0|1,0,1]=4 2513 B11R0.1 C=C(C)CC(=O)C=C(C)CCC 1458a_100020676950_100000748629 [0,1,0,0,0,1|1,0,1]=4 2514 B11R0.1 C=C(C)CC(=O)CC(=C)CCC 1458a_100000138376_100000748629 [0,1,0,0,0,1|1,0,1]=4 2515 B11R0.1 C=C(C)CC(=O)CC(=O)OCC 1458a_100000243816_100000748629 [0,1,0,0,0,1|1,0,1]=4 2516 B11R0.1 C=C(C)CC(=O)CS(=O)CCC 1458a_100011387404_100000748629 [0,1,0,0,0,1|1,0,1]=4 2517 B11R0.1 C=C(CCC)CC(=O)CC(C)C 1458a_100000138376_100000210624 [0,1,0,0,0,1|1,0,0]=3 2518 B11R0.1 C=C(CCC)CC(=O)CC(C)O 1458a_100000138376_100011218427 [0,1,0,0,0,1|1,0,0]=3 2519 B11R0.1 C=C(CCC)CC(=O)CC(F)F 1458a_100000138376_100011934356 [0,1,0,0,0,1|2,0,0]=4 2520 B11R0.1 C=C(CCC)CC(=O)NC(C)C 11a_100138425928_100000138376 [0,1,0,0,0,1|2,0,0]=4 2521 B11R0.1 C=C(CCC)CC(=O)NC(C)C 240690a_100138425928_100000138376 [0,1,0,0,0,1|2,0,0]=4 2522 B11R0.1 C=C(CCC)CC(=O)NC(C)C 527a_100138425928_100000138376 [0,1,0,0,0,1|2,0,0]=4 2523 B11R0.1 CC(C)CC(=O)CC(=O)NCO 1458a_100000210554_100000185155 [0,1,0,0,0,1|2,0,0]=4 2524 B11R0.1 CC(C)NC(=O)CC(=O)CCO 1458a_100011216618_100000183996 [0,1,0,0,0,1|2,0,0]=4 2525 B11R0.1 CC(C)OC(=O)CC(=O)CCO 1458a_100011216618_100011215430 [0,1,0,0,0,1|2,0,0]=4 2526 B11R0.1 CCCC(=CC(=O)CC(C)C)C 1458a_100020676950_100000210624 [0,1,0,0,0,1|1,0,0]=3 2527 B11R0.1 CCCC(=CC(=O)CC(C)O)C 1458a_100020676950_100011218427 [0,1,0,0,0,1|1,0,0]=3 2528 B11R0.1 CCCC(=CC(=O)CC(F)F)C 1458a_100020676950_100011934356 [0,1,0,0,0,1|2,0,0]=4 2529 B11R0.1 CCCC(=CC(=O)NC(C)C)C 11a_100138425928_100020676950 [0,1,0,0,0,1|2,0,0]=4 2530 B11R0.1 CCCC(=CC(=O)NC(C)C)C 1626a_100138425928_100020676950 [0,1,0,0,0,1|2,0,0]=4 2531 B11R0.1 CCCC(=CC(=O)NC(C)C)C 240690a_100138425928_100020676950 [0,1,0,0,0,1|2,0,0]=4 2532 B11R0.1 CCCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747444 [0,1,0,0,0,1|0,0,2]=4 2533 B11R0.1 CCCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747444 [0,1,0,0,0,1|0,0,2]=4 2534 B11R0.1 CCCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747444 [0,1,0,0,0,1|0,0,2]=4 2535 B11R0.1 CCCC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747444 [0,1,0,0,0,1|1,0,1]=4 2536 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,1,0,0,0,1|0,0,0]=2 2537 B11R0.1 CCCC(=O)CC(=O)CN(C)C 1458a_100000750896_100000747444 [0,1,0,0,0,1|1,0,0]=3 2538 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,1,0,0,0,1|0,0,0]=2 2539 B11R0.1 CCCC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000747444 [0,1,0,0,0,1|1,0,0]=3 2540 B11R0.1 CCCC(=O)CC(=O)NC(=O)C 1458a_100000211992_100000183797 [0,1,0,0,0,1|1,0,1]=4 2541 B11R0.1 CCCC(=O)CC(=O)NC(C)C 1458a_100000211992_100000183996 [0,1,0,0,0,1|1,0,0]=3 2542 B11R0.1 CCCC(=O)CC(=O)OC(C)C 1458a_100000211992_100011215430 [0,1,0,0,0,1|1,0,0]=3 2543 B11R0.1 CCCC(=O)CN(C)CC(C)C 2230a_100000747067_100000747444 [0,1,0,0,0,1|2,0,0]=4 2544 B11R0.1 CCCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747444 [0,1,0,0,0,1|2,0,0]=4 2545 B11R0.1 CCCC(=O)CN(C)CC(C)O 2230a_100000227577_100000747444 [0,1,0,0,0,1|2,0,0]=4 2546 B11R0.1 CCCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747444 [0,1,0,0,0,1|2,0,0]=4 2547 B11R0.1 CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000211992 [0,1,0,0,0,1|1,0,1]=4 2548 B11R0.1 CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211992 [0,1,0,0,0,1|1,0,1]=4 2549 B11R0.1 CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211992 [0,1,0,0,0,1|1,0,1]=4 2550 B11R0.1 CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000211992 [0,1,0,0,0,1|1,0,1]=4 2551 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,1,0,0,0,1|1,0,1]=4 2552 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,1,0,0,0,1|1,0,1]=4 2553 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,1,0,0,0,1|1,0,1]=4 2554 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,1,0,0,0,1|1,0,1]=4 2555 B11R0.1 CCCC(C)NC(=O)CC(C)C 11a_100000741246_100000210554 [0,1,0,0,0,1|1,0,1]=4 2556 B11R0.1 CCCC(C)NC(=O)CC(C)C 1626a_100000741246_100000210554 [0,1,0,0,0,1|1,0,1]=4 2557 B11R0.1 CCCC(C)NC(=O)CC(C)C 240690a_100000741246_100000210554 [0,1,0,0,0,1|1,0,1]=4 2558 B11R0.1 CCCC(C)NC(=O)CC(C)C 527a_100000741246_100000210554 [0,1,0,0,0,1|1,0,1]=4 2559 B11R0.1 CCCC(C)NC(=O)C[C@@H](C)O 240690a_100000741246_100011933948 [0,1,0,0,0,1|1,0,1]=4 2560 B11R0.1 CCCS(=O)CC(=O)CC(C)C 1458a_100011387404_100000210624 [0,1,0,0,0,1|1,0,0]=3 2561 B11R0.1 CCCS(=O)CC(=O)CC(C)O 1458a_100011387404_100011218427 [0,1,0,0,0,1|1,0,0]=3 2562 B11R0.1 CCCS(=O)CC(=O)CC(F)F 1458a_100011387404_100011934356 [0,1,0,0,0,1|2,0,0]=4 2563 B11R0.1 CCCS(=O)CC(=O)NC(C)C 11a_100138425928_100011387404 [0,1,0,0,0,1|2,0,0]=4 2564 B11R0.1 CCCS(=O)CC(=O)NC(C)C 1626a_100138425928_100011387404 [0,1,0,0,0,1|2,0,0]=4 2565 B11R0.1 CCCS(=O)CC(=O)NC(C)C 240690a_100138425928_100011387404 [0,1,0,0,0,1|2,0,0]=4 2566 B11R0.1 CCCS(=O)CC(=O)NC(C)C 527a_100138425928_100011387404 [0,1,0,0,0,1|2,0,0]=4 2567 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,1,0,0,0,1|1,0,0]=3 2568 B11R0.1 CCNC(=O)CC(=O)CN(C)C 1458a_100000750896_100000183381 [0,1,0,0,0,1|2,0,0]=4 2569 B11R0.1 CCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183381 [0,1,0,0,0,1|1,0,0]=3 2570 B11R0.1 CCNC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000183381 [0,1,0,0,0,1|2,0,0]=4 2571 B11R0.1 CCNC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000183762 [0,1,0,0,0,1|1,0,1]=4 2572 B11R0.1 CCNC(=O)NC(=O)CN(C)C 2230a_100102631434_100000183762 [0,1,0,0,0,1|2,0,0]=4 2573 B11R0.1 CCNC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183762 [0,1,0,0,0,1|2,0,0]=4 2574 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,1,0,0,0,1|1,0,0]=3 2575 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,1,0,0,0,1|1,0,0]=3 2576 B11R0.1 CCOC(=O)CC(=O)CC(C)O 1458a_100000243816_100011218427 [0,1,0,0,0,1|1,0,0]=3 2577 B11R0.1 CCOC(=O)CC(=O)CC(F)F 1458a_100000243816_100011934356 [0,1,0,0,0,1|2,0,0]=4 2578 B11R0.1 CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000188475 [0,1,0,0,0,1|2,0,0]=4 2579 B11R0.1 CCOC(=O)CC(=O)CN(C)C 269982a_100102631434_100000210311 [0,1,0,0,0,1|2,0,0]=4 2580 B11R0.1 CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000188475 [0,1,0,0,0,1|1,0,0]=3 2581 B11R0.1 CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000188475 [0,1,0,0,0,1|2,0,0]=4 2582 B11R0.1 CCOC(=O)CC(=O)NC(C)C 240690a_100138425928_100000243816 [0,1,0,0,0,1|2,0,0]=4 2583 B11R0.1 CCOC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010344 [0,1,0,0,0,1|1,0,1]=4 2584 B11R0.1 CCOC(=O)NC(=O)CN(C)C 269982a_100102631434_100000010344 [0,1,0,0,0,1|2,0,0]=4 2585 B11R0.1 COCC(=O)CC(=O)NC(C)C 1458a_100000210968_100000183996 [0,1,0,0,0,1|2,0,0]=4 2586 B11R0.1 COCC(=O)CC(=O)OC(C)C 1458a_100000210968_100011215430 [0,1,0,0,0,1|2,0,0]=4 2587 B11R0.1 CSCC(=O)CC(=O)NC(C)C 1458a_100000184570_100000183996 [0,1,0,0,0,1|2,0,0]=4 2588 B11R0.1 CSCC(=O)CC(=O)OC(C)C 1458a_100000184570_100011215430 [0,1,0,0,0,1|2,0,0]=4 2589 B11R0.1 C[C@@H](O)CC(=O)CC(=O)NCO 1458a_100011933948_100000185155 [0,1,0,0,0,1|2,0,0]=4 2590 B11R0.5 C#CCC(=O)CC(=O)NCCC 1458a_100011220946_100000183358 [0,1,0,0,0,1|0,0,2]=4 2591 B11R0.5 C#CCC(=O)CC(=O)OCCC 1458a_100011220946_200011215008 [0,1,0,0,0,1|0,0,2]=4 2592 B11R0.5 C#CCCC(=O)C=C(C)CCC 1458a_100020676950_100000753159 [0,1,0,0,0,1|1,0,1]=4 2593 B11R0.5 C#CCCC(=O)CC(=C)CCC 1458a_100000138376_100000753159 [0,1,0,0,0,1|1,0,1]=4 2594 B11R0.5 C#CCCC(=O)CC(=O)CCC 1458a_100000692101_100000747444 [0,1,0,0,0,1|0,0,1]=3 2595 B11R0.5 C#CCCC(=O)CC(=O)NCC 1458a_100000692101_100000183381 [0,1,0,0,0,1|1,0,1]=4 2596 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000243816_100000753159 [0,1,0,0,0,1|1,0,1]=4 2597 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000692101_100000188475 [0,1,0,0,0,1|1,0,1]=4 2598 B11R0.5 C#CCCC(=O)CS(=O)CCC 1458a_100011387404_100000753159 [0,1,0,0,0,1|1,0,1]=4 2599 B11R0.5 C/C=C/CC(=O)C=C(C)CCC 1458a_100020676950_100102629194 [0,1,0,0,0,1|1,0,1]=4 2600 B11R0.5 C/C=C/CC(=O)CC(=O)OCC 1458a_100000243816_100102629194 [0,1,0,0,0,1|1,0,1]=4 2601 B11R0.5 C/C=C/CC(=O)CS(=O)CCC 1458a_100011387404_100102629194 [0,1,0,0,0,1|1,0,1]=4 2602 B11R0.5 C=C(CC(=O)CCC)OCOC 1458a_100000211992_100000042856 [0,1,0,0,0,1|2,0,0]=4 2603 B11R0.5 C=C(CCC)CC(=O)C/C=C/C 1458a_100000138376_100102629194 [0,1,0,0,0,1|1,0,1]=4 2604 B11R0.5 C=C(CCC)CC(=O)CC#CC 1458a_100000138376_100000748600 [0,1,0,0,0,1|1,0,1]=4 2605 B11R0.5 C=C(CCC)CC(=O)CC=CC 1458a_100000138376_100000070051 [0,1,0,0,0,1|1,0,1]=4 2606 B11R0.5 C=C(CCC)CC(=O)CCC#N 1458a_100000138376_100011215226 [0,1,0,0,0,1|1,0,1]=4 2607 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,1,0,0,0,1|1,0,0]=3 2608 B11R0.5 C=C(CCC)CC(=O)CCCF 1458a_100000138376_100011934791 [0,1,0,0,0,1|1,0,0]=3 2609 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [0,1,0,0,0,1|1,0,0]=3 2610 B11R0.5 C=C(CCC)CC(=O)CCOC 1458a_100000138376_100000233755 [0,1,0,0,0,1|1,0,0]=3 2611 B11R0.5 C=C(CCC)CC(=O)CCSC 1458a_100000138376_100000751147 [0,1,0,0,0,1|1,0,0]=3 2612 B11R0.5 C=C(CCC)CC(=O)NCCC 11a_100020643023_100000138376 [0,1,0,0,0,1|1,0,0]=3 2613 B11R0.5 C=C(CCC)CC(=O)NCCC 240690a_100020643023_100000138376 [0,1,0,0,0,1|1,0,0]=3 2614 B11R0.5 C=C(CCC)CC(=O)NCCC 527a_100020643023_100000138376 [0,1,0,0,0,1|1,0,0]=3 2615 B11R0.5 C=C(CCC)CC(=O)NCCF 11a_100000724931_100000138376 [0,1,0,0,0,1|2,0,0]=4 2616 B11R0.5 C=C(CCC)CC(=O)NCCF 240690a_100000724931_100000138376 [0,1,0,0,0,1|2,0,0]=4 2617 B11R0.5 C=C(CCC)CC(=O)NCCF 527a_100000724931_100000138376 [0,1,0,0,0,1|2,0,0]=4 2618 B11R0.5 C=C(CCC)CC(=O)NCCO 240690a_100000210304_100000138376 [0,1,0,0,0,1|2,0,0]=4 2619 B11R0.5 C=C(CCC)CC(=O)NCCO 527a_100000210304_100000138376 [0,1,0,0,0,1|2,0,0]=4 2620 B11R0.5 C=C(CCC)CC(=O)NNCC 22a_100000756455_100000138376 [0,1,0,0,0,1|2,0,0]=4 2621 B11R0.5 C=CCC(=O)CC(=O)NCCC 1458a_100000210193_100000183358 [0,1,0,0,0,1|0,0,2]=4 2622 B11R0.5 C=CCC(=O)CC(=O)OCCC 1458a_100000210193_200011215008 [0,1,0,0,0,1|0,0,2]=4 2623 B11R0.5 C=CCCC(=O)C=C(C)CCC 1458a_100020676950_100000754431 [0,1,0,0,0,1|1,0,1]=4 2624 B11R0.5 C=CCCC(=O)CC(=C)CCC 1458a_100000138376_100000754431 [0,1,0,0,0,1|1,0,1]=4 2625 B11R0.5 C=CCCC(=O)CC(=O)CCC 1458a_100000749702_100000747444 [0,1,0,0,0,1|0,0,1]=3 2626 B11R0.5 C=CCCC(=O)CC(=O)NCC 1458a_100000749702_100000183381 [0,1,0,0,0,1|1,0,1]=4 2627 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000243816_100000754431 [0,1,0,0,0,1|1,0,1]=4 2628 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000749702_100000188475 [0,1,0,0,0,1|1,0,1]=4 2629 B11R0.5 C=CCCC(=O)CS(=O)CCC 1458a_100011387404_100000754431 [0,1,0,0,0,1|1,0,1]=4 2630 B11R0.5 C=CCNC(=O)CC(=O)CCC 1458a_100000211992_100000183597 [0,1,0,0,0,1|0,0,2]=4 2631 B11R0.5 C=CCOC(=O)CC(=O)CCC 1458a_100000211992_100000033060 [0,1,0,0,0,1|0,0,2]=4 2632 B11R0.5 CC#CC(=O)CC(=O)NCCC 1458a_100000763181_100000183358 [0,1,0,0,0,1|0,0,2]=4 2633 B11R0.5 CC#CC(=O)CC(=O)OCCC 1458a_100000763181_200011215008 [0,1,0,0,0,1|0,0,2]=4 2634 B11R0.5 CC#CCC(=O)C=C(C)CCC 1458a_100020676950_100000748600 [0,1,0,0,0,1|1,0,1]=4 2635 B11R0.5 CC#CCC(=O)CC(=O)OCC 1458a_100000243816_100000748600 [0,1,0,0,0,1|1,0,1]=4 2636 B11R0.5 CC#CCC(=O)CS(=O)CCC 1458a_100011387404_100000748600 [0,1,0,0,0,1|1,0,1]=4 2637 B11R0.5 CC=CC(=O)CC(=O)NCCC 1458a_100000210699_100000183358 [0,1,0,0,0,1|0,0,2]=4 2638 B11R0.5 CC=CC(=O)CC(=O)OCCC 1458a_100000210699_200011215008 [0,1,0,0,0,1|0,0,2]=4 2639 B11R0.5 CC=CCC(=O)C=C(C)CCC 1458a_100020676950_100000070051 [0,1,0,0,0,1|1,0,1]=4 2640 B11R0.5 CC=CCC(=O)CC(=O)CCC 1458a_100121576822_100000747444 [0,1,0,0,0,1|0,0,1]=3 2641 B11R0.5 CC=CCC(=O)CC(=O)NCC 1458a_100121576822_100000183381 [0,1,0,0,0,1|1,0,1]=4 2642 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100000243816_100000070051 [0,1,0,0,0,1|1,0,1]=4 2643 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100121576822_100000188475 [0,1,0,0,0,1|1,0,1]=4 2644 B11R0.5 CC=CCC(=O)CS(=O)CCC 1458a_100011387404_100000070051 [0,1,0,0,0,1|1,0,1]=4 2645 B11R0.5 CCC#CC(=O)CC(=O)CCC 1458a_100011827653_100000747444 [0,1,0,0,0,1|0,0,1]=3 2646 B11R0.5 CCC#CC(=O)CC(=O)NCC 1458a_100011827653_100000183381 [0,1,0,0,0,1|1,0,1]=4 2647 B11R0.5 CCC#CC(=O)CC(=O)OCC 1458a_100011827653_100000188475 [0,1,0,0,0,1|1,0,1]=4 2648 B11R0.5 CCC=CC(=O)CC(=O)CCC 1458a_100000212282_100000747444 [0,1,0,0,0,1|0,0,1]=3 2649 B11R0.5 CCC=CC(=O)CC(=O)NCC 1458a_100000212282_100000183381 [0,1,0,0,0,1|1,0,1]=4 2650 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [0,1,0,0,0,1|1,0,1]=4 2651 B11R0.5 CCCC(=CC(=O)CCC#N)C 1458a_100020676950_100011215226 [0,1,0,0,0,1|1,0,1]=4 2652 B11R0.5 CCCC(=CC(=O)CCCF)C 1458a_100020676950_100011934791 [0,1,0,0,0,1|1,0,0]=3 2653 B11R0.5 CCCC(=CC(=O)CCCO)C 1458a_100020676950_100011215043 [0,1,0,0,0,1|1,0,0]=3 2654 B11R0.5 CCCC(=CC(=O)CCOC)C 1458a_100020676950_100000233755 [0,1,0,0,0,1|1,0,0]=3 2655 B11R0.5 CCCC(=CC(=O)CCSC)C 1458a_100020676950_100000751147 [0,1,0,0,0,1|1,0,0]=3 2656 B11R0.5 CCCC(=CC(=O)NCCF)C 11a_100000724931_100020676950 [0,1,0,0,0,1|2,0,0]=4 2657 B11R0.5 CCCC(=CC(=O)NCCF)C 1626a_100000724931_100020676950 [0,1,0,0,0,1|2,0,0]=4 2658 B11R0.5 CCCC(=CC(=O)NCCF)C 240690a_100000724931_100020676950 [0,1,0,0,0,1|2,0,0]=4 2659 B11R0.5 CCCC(=CC(=O)NCCO)C 240690a_100000210304_100020676950 [0,1,0,0,0,1|2,0,0]=4 2660 B11R0.5 CCCC(=CC(=O)NNCC)C 22a_100000756455_100020676950 [0,1,0,0,0,1|2,0,0]=4 2661 B11R0.5 CCCC(=O)CC(=O)C#CCO 1458a_100000049017_100000747444 [0,1,0,0,0,1|0,0,2]=4 2662 B11R0.5 CCCC(=O)CC(=O)C=COC 1458a_100016268678_100000747444 [0,1,0,0,0,1|0,0,2]=4 2663 B11R0.5 CCCC(=O)CC(=O)CCC#N 1458a_100011934036_100000747444 [0,1,0,0,0,1|0,0,1]=3 2664 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,1,0,0,0,1|0,0,0]=2 2665 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,1,0,0,0,1|0,0,0]=2 2666 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,1,0,0,0,1|0,0,0]=2 2667 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [0,1,0,0,0,1|0,0,0]=2 2668 B11R0.5 CCCC(=O)CC(=O)NCC#N 1458a_100000211992_100000736037 [0,1,0,0,0,1|1,0,1]=4 2669 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,1,0,0,0,1|2,0,0]=4 2670 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,1,0,0,0,1|2,0,0]=4 2671 B11R0.5 CCCC(=O)CN(C)CCOC 2230a_100000743101_100000747444 [0,1,0,0,0,1|2,0,0]=4 2672 B11R0.5 CCCC(=O)CN(C)CCOC 269982a_100000743101_100000747444 [0,1,0,0,0,1|2,0,0]=4 2673 B11R0.5 CCCC(=O)CN(C)CCSC 2230a_100000686725_100000747444 [0,1,0,0,0,1|2,0,0]=4 2674 B11R0.5 CCCC(=O)CN(C)CCSC 269982a_100000686725_100000747444 [0,1,0,0,0,1|2,0,0]=4 2675 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,1,0,0,0,1|1,0,1]=4 2676 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,1,0,0,0,1|1,0,1]=4 2677 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [0,1,0,0,0,1|1,0,1]=4 2678 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [0,1,0,0,0,1|1,0,1]=4 2679 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [0,1,0,0,0,1|1,0,1]=4 2680 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [0,1,0,0,0,1|1,0,1]=4 2681 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,1,0,0,0,1|1,0,1]=4 2682 B11R0.5 CCCC(C)CC(=O)CSCC 1458a_100000230394_100011216630 [0,1,0,0,0,1|1,0,1]=4 2683 B11R0.5 CCCC(C)NC(=O)CCOC 11a_100000741246_100000749529 [0,1,0,0,0,1|1,0,1]=4 2684 B11R0.5 CCCC(C)NC(=O)CCOC 1626a_100000741246_100000749529 [0,1,0,0,0,1|1,0,1]=4 2685 B11R0.5 CCCC(C)NC(=O)CCOC 240690a_100000741246_100000749529 [0,1,0,0,0,1|1,0,1]=4 2686 B11R0.5 CCCC(C)NC(=O)CCOC 527a_100000741246_100000749529 [0,1,0,0,0,1|1,0,1]=4 2687 B11R0.5 CCCC(C)NC(=O)CCSC 11a_100000741246_100000174002 [0,1,0,0,0,1|1,0,1]=4 2688 B11R0.5 CCCC(C)NC(=O)CCSC 1626a_100000741246_100000174002 [0,1,0,0,0,1|1,0,1]=4 2689 B11R0.5 CCCC(C)NC(=O)CCSC 240690a_100000741246_100000174002 [0,1,0,0,0,1|1,0,1]=4 2690 B11R0.5 CCCC(C)NC(=O)CCSC 527a_100000741246_100000174002 [0,1,0,0,0,1|1,0,1]=4 2691 B11R0.5 CCCC(C)NC(=O)COCC 11a_100000741246_100000211967 [0,1,0,0,0,1|1,0,1]=4 2692 B11R0.5 CCCC(C)NC(=O)COCC 1626a_100000741246_100000211967 [0,1,0,0,0,1|1,0,1]=4 2693 B11R0.5 CCCC(C)NC(=O)COCC 240690a_100000741246_100000211967 [0,1,0,0,0,1|1,0,1]=4 2694 B11R0.5 CCCC(C)NC(=O)COCC 527a_100000741246_100000211967 [0,1,0,0,0,1|1,0,1]=4 2695 B11R0.5 CCCC(C)NC(=O)CSCC 11a_100000741246_100000230394 [0,1,0,0,0,1|1,0,1]=4 2696 B11R0.5 CCCC(C)NC(=O)CSCC 1626a_100000741246_100000230394 [0,1,0,0,0,1|1,0,1]=4 2697 B11R0.5 CCCC(C)NC(=O)CSCC 240690a_100000741246_100000230394 [0,1,0,0,0,1|1,0,1]=4 2698 B11R0.5 CCCC(C)NC(=O)CSCC 527a_100000741246_100000230394 [0,1,0,0,0,1|1,0,1]=4 2699 B11R0.5 CCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210211 [0,1,0,0,0,1|1,0,0]=3 2700 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,1,0,0,0,1|0,0,0]=2 2701 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [0,1,0,0,0,1|1,0,0]=3 2702 B11R0.5 CCCCC(=O)CC(=O)NCO 1458a_100000210183_100000185155 [0,1,0,0,0,1|2,0,0]=4 2703 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,1,0,0,0,1|1,0,0]=3 2704 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,1,0,0,0,1|1,0,0]=3 2705 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,1,0,0,0,1|1,0,1]=4 2706 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,1,0,0,0,1|1,0,1]=4 2707 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [0,1,0,0,0,1|1,0,0]=3 2708 B11R0.5 CCCCC(=O)NC(C)CCC 11a_100000741246_100000210183 [0,1,0,0,0,1|1,0,1]=4 2709 B11R0.5 CCCCC(=O)NC(C)CCC 1626a_100000741246_100000210183 [0,1,0,0,0,1|1,0,1]=4 2710 B11R0.5 CCCCC(=O)NC(C)CCC 240690a_100000741246_100000210183 [0,1,0,0,0,1|1,0,1]=4 2711 B11R0.5 CCCCC(=O)NC(C)CCC 527a_100000741246_100000210183 [0,1,0,0,0,1|1,0,1]=4 2712 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [0,1,0,0,0,1|1,0,1]=4 2713 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [0,1,0,0,0,1|1,0,1]=4 2714 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [0,1,0,0,0,1|1,0,1]=4 2715 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [0,1,0,0,0,1|1,0,1]=4 2716 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [0,1,0,0,0,1|2,0,0]=4 2717 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [0,1,0,0,0,1|2,0,0]=4 2718 B11R0.5 CCCNC(=O)C=C(C)CCC 11a_100020643023_100020676950 [0,1,0,0,0,1|1,0,0]=3 2719 B11R0.5 CCCNC(=O)C=C(C)CCC 1626a_100020643023_100020676950 [0,1,0,0,0,1|1,0,0]=3 2720 B11R0.5 CCCNC(=O)C=C(C)CCC 240690a_100020643023_100020676950 [0,1,0,0,0,1|1,0,0]=3 2721 B11R0.5 CCCNC(=O)CC(=O)CC#N 1458a_100051588842_100000183358 [0,1,0,0,0,1|1,0,1]=4 2722 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [0,1,0,0,0,1|0,0,0]=2 2723 B11R0.5 CCCNC(=O)CC(=O)CCO 1458a_100011216618_100000183358 [0,1,0,0,0,1|1,0,0]=3 2724 B11R0.5 CCCNC(=O)CC(=O)COC 1458a_100000210968_100000183358 [0,1,0,0,0,1|1,0,0]=3 2725 B11R0.5 CCCNC(=O)CC(=O)CSC 1458a_100000184570_100000183358 [0,1,0,0,0,1|1,0,0]=3 2726 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [0,1,0,0,0,1|1,0,0]=3 2727 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [0,1,0,0,0,1|1,0,1]=4 2728 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [0,1,0,0,0,1|1,0,1]=4 2729 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [0,1,0,0,0,1|1,0,1]=4 2730 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [0,1,0,0,0,1|1,0,1]=4 2731 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000684209_100000210303 [0,1,0,0,0,1|2,0,0]=4 2732 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000747261_100000183358 [0,1,0,0,0,1|2,0,0]=4 2733 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000684209_100000210303 [0,1,0,0,0,1|2,0,0]=4 2734 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000747261_100000183358 [0,1,0,0,0,1|2,0,0]=4 2735 B11R0.5 CCCNC(=O)CS(=O)CCC 11a_100020643023_100011387404 [0,1,0,0,0,1|1,0,0]=3 2736 B11R0.5 CCCNC(=O)CS(=O)CCC 1626a_100020643023_100011387404 [0,1,0,0,0,1|1,0,0]=3 2737 B11R0.5 CCCNC(=O)CS(=O)CCC 240690a_100020643023_100011387404 [0,1,0,0,0,1|1,0,0]=3 2738 B11R0.5 CCCNC(=O)CS(=O)CCC 527a_100020643023_100011387404 [0,1,0,0,0,1|1,0,0]=3 2739 B11R0.5 CCCNC(=O)NC(=O)CNC 2230a_106832991635_100000184120 [0,1,0,0,0,1|1,0,0]=3 2740 B11R0.5 CCCNC(=O)NC(=O)CNC 7a_106832991635_100000184120 [0,1,0,0,0,1|1,0,0]=3 2741 B11R0.5 CCCNC(=O)NC(=O)CSC 62a_200000210301_100000184120 [0,1,0,0,0,1|1,0,0]=3 2742 B11R0.5 CCCNC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000184120 [0,1,0,0,0,1|1,0,0]=3 2743 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100000741246_100020643023 [0,1,0,0,0,1|1,0,1]=4 2744 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100020643023_100000741246 [0,1,0,0,0,1|1,0,1]=4 2745 B11R0.5 CCCNC(=O)NC(C)CCC 273464a_100000741246_100020643023 [0,1,0,0,0,1|1,0,1]=4 2746 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100000741246_100020643023 [0,1,0,0,0,1|1,0,1]=4 2747 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100020643023_100000741246 [0,1,0,0,0,1|1,0,1]=4 2748 B11R0.5 CCCOC(=O)CC(=O)CC#N 1458a_100051588842_200011215008 [0,1,0,0,0,1|1,0,1]=4 2749 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,1,0,0,0,1|0,0,0]=2 2750 B11R0.5 CCCOC(=O)CC(=O)CCO 1458a_100011216618_200011215008 [0,1,0,0,0,1|1,0,0]=3 2751 B11R0.5 CCCOC(=O)CC(=O)COC 1458a_100000210968_200011215008 [0,1,0,0,0,1|1,0,0]=3 2752 B11R0.5 CCCOC(=O)CC(=O)CSC 1458a_100000184570_200011215008 [0,1,0,0,0,1|1,0,0]=3 2753 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [0,1,0,0,0,1|2,0,0]=4 2754 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [0,1,0,0,0,1|2,0,0]=4 2755 B11R0.5 CCCS(=O)CC(=O)CCC#N 1458a_100011387404_100011215226 [0,1,0,0,0,1|1,0,1]=4 2756 B11R0.5 CCCS(=O)CC(=O)CCCF 1458a_100011387404_100011934791 [0,1,0,0,0,1|1,0,0]=3 2757 B11R0.5 CCCS(=O)CC(=O)CCCO 1458a_100011387404_100011215043 [0,1,0,0,0,1|1,0,0]=3 2758 B11R0.5 CCCS(=O)CC(=O)CCOC 1458a_100011387404_100000233755 [0,1,0,0,0,1|1,0,0]=3 2759 B11R0.5 CCCS(=O)CC(=O)CCSC 1458a_100011387404_100000751147 [0,1,0,0,0,1|1,0,0]=3 2760 B11R0.5 CCCS(=O)CC(=O)NCCF 11a_100000724931_100011387404 [0,1,0,0,0,1|2,0,0]=4 2761 B11R0.5 CCCS(=O)CC(=O)NCCF 1626a_100000724931_100011387404 [0,1,0,0,0,1|2,0,0]=4 2762 B11R0.5 CCCS(=O)CC(=O)NCCF 240690a_100000724931_100011387404 [0,1,0,0,0,1|2,0,0]=4 2763 B11R0.5 CCCS(=O)CC(=O)NCCF 527a_100000724931_100011387404 [0,1,0,0,0,1|2,0,0]=4 2764 B11R0.5 CCCS(=O)CC(=O)NCCO 240690a_100000210304_100011387404 [0,1,0,0,0,1|2,0,0]=4 2765 B11R0.5 CCCS(=O)CC(=O)NCCO 527a_100000210304_100011387404 [0,1,0,0,0,1|2,0,0]=4 2766 B11R0.5 CCCS(=O)CC(=O)NNCC 22a_100000756455_100011387404 [0,1,0,0,0,1|2,0,0]=4 2767 B11R0.5 CCNC(=O)CC(=O)CCC#N 1458a_100011934036_100000183381 [0,1,0,0,0,1|1,0,1]=4 2768 B11R0.5 CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183381 [0,1,0,0,0,1|1,0,0]=3 2769 B11R0.5 CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183381 [0,1,0,0,0,1|1,0,0]=3 2770 B11R0.5 CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183381 [0,1,0,0,0,1|1,0,0]=3 2771 B11R0.5 CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183381 [0,1,0,0,0,1|1,0,0]=3 2772 B11R0.5 CCNC(=O)NC(=O)CSCC 62a_100000210202_100000183762 [0,1,0,0,0,1|1,0,0]=3 2773 B11R0.5 CCNC(=O)NC(=O)CSCF 62a_100015361967_100000183762 [0,1,0,0,0,1|2,0,0]=4 2774 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [0,1,0,0,0,1|2,0,0]=4 2775 B11R0.5 CCNCC(=O)NC(=O)NCC 2230a_100015525214_100000183762 [0,1,0,0,0,1|1,0,0]=3 2776 B11R0.5 CCNNC(=O)CC(=O)OCC 22a_100000756455_100000243816 [0,1,0,0,0,1|2,0,0]=4 2777 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [0,1,0,0,0,1|2,0,0]=4 2778 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [0,1,0,0,0,1|2,0,0]=4 2779 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100000243816_100011215226 [0,1,0,0,0,1|1,0,1]=4 2780 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000188475 [0,1,0,0,0,1|1,0,1]=4 2781 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [0,1,0,0,0,1|1,0,0]=3 2782 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,1,0,0,0,1|1,0,0]=3 2783 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [0,1,0,0,0,1|1,0,0]=3 2784 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [0,1,0,0,0,1|1,0,0]=3 2785 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [0,1,0,0,0,1|1,0,0]=3 2786 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [0,1,0,0,0,1|1,0,0]=3 2787 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [0,1,0,0,0,1|1,0,0]=3 2788 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [0,1,0,0,0,1|1,0,0]=3 2789 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [0,1,0,0,0,1|1,0,0]=3 2790 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100000210311_100015361967 [0,1,0,0,0,1|2,0,0]=4 2791 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100015361967_100000210311 [0,1,0,0,0,1|2,0,0]=4 2792 B11R0.5 CCOC(=O)CC(=O)NCCF 240690a_100000724931_100000243816 [0,1,0,0,0,1|2,0,0]=4 2793 B11R0.5 CCOC(=O)CC(=O)NCCO 240690a_100000210304_100000243816 [0,1,0,0,0,1|2,0,0]=4 2794 B11R0.5 CCOC(=O)NC(=O)CSCC 62a_100000210202_100000010344 [0,1,0,0,0,1|1,0,0]=3 2795 B11R0.5 CCOC(=O)NC(=O)CSCF 62a_100015361967_100000010344 [0,1,0,0,0,1|2,0,0]=4 2796 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [0,1,0,0,0,1|2,0,0]=4 2797 B11R0.5 CCOCC(=O)CC(=O)NCO 1458a_100000211967_100000185155 [0,1,0,0,0,1|2,0,0]=4 2798 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [0,1,0,0,0,1|1,0,0]=3 2799 B11R0.5 CCSCC(=O)CC(=O)NCO 1458a_100000230394_100000185155 [0,1,0,0,0,1|2,0,0]=4 2800 B11R0.5 COCCC(=O)CC(=O)NCO 1458a_100000749529_100000185155 [0,1,0,0,0,1|2,0,0]=4 2801 B11R0.5 CSCCC(=O)CC(=O)NCO 1458a_100000174002_100000185155 [0,1,0,0,0,1|2,0,0]=4 2802 B11R0.177 CCCC(=O)C(C)C(=O)NCC 1458a_100000211992_100000230173 [0,1,0,0,0,1|1,0,0]=3 2803 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100000211992_100011216346 [0,1,0,0,0,1|1,0,0]=3 2804 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210303 [0,1,0,0,0,1|1,0,0]=3 2805 B11R0.177 CCCC(=O)C(F)C(=O)OCC 1458a_100000211992_100000760018 [0,1,0,0,0,1|1,0,0]=3 2806 B11R0.177 CCNC(=O)C(C)C(=O)CCO 1458a_100011216618_100000230173 [0,1,0,0,0,1|2,0,0]=4 2807 B11R0.177 CCNC(=O)C(C)C(=O)COC 1458a_100000210968_100000230173 [0,1,0,0,0,1|2,0,0]=4 2808 B11R0.177 CCNC(=O)C(C)C(=O)CSC 1458a_100000184570_100000230173 [0,1,0,0,0,1|2,0,0]=4 2809 B11R0.177 CCNC(=O)C(C)C(=O)OCC 11a_100015525214_100132301724 [0,1,0,0,0,1|2,0,0]=4 2810 B11R0.177 CCNC(=O)C(C)C(=O)OCC 240690a_100015525214_100132301724 [0,1,0,0,0,1|2,0,0]=4 2811 B11R0.177 CCNC(=O)C(C)C(=O)OCC 527a_100015525214_100132301724 [0,1,0,0,0,1|2,0,0]=4 2812 B11R0.177 CCOC(=O)C(C)C(=O)CCF 1458a_100132301724_100011217306 [0,1,0,0,0,1|2,0,0]=4 2813 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100011216346 [0,1,0,0,0,1|2,0,0]=4 2814 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100132301724_100000211926 [0,1,0,0,0,1|2,0,0]=4 2815 B11R0.177 CCOC(=O)C(C)C(=O)COC 1458a_100000210968_100011216346 [0,1,0,0,0,1|2,0,0]=4 2816 B11R0.177 CCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100011216346 [0,1,0,0,0,1|2,0,0]=4 2817 B11R0.177 CCOC(=O)C(F)C(=O)CCO 1458a_100011216618_100000760018 [0,1,0,0,0,1|2,0,0]=4 2818 B11R0.177 CCOC(=O)C(F)C(=O)COC 1458a_100000210968_100000760018 [0,1,0,0,0,1|2,0,0]=4 2819 B11R0.177 CCOC(=O)C(F)C(=O)CSC 1458a_100000184570_100000760018 [0,1,0,0,0,1|2,0,0]=4 2820 B11R0.182 CCCC(=O)CN(CC)CCC 2230a_100000226822_100000747444 [0,1,0,0,0,1|2,0,0]=4 2821 B11R0.182 CCCC(=O)CN(CC)CCC 269982a_100000226822_100000747444 [0,1,0,0,0,1|2,0,0]=4 2822 B11R0.182 CCCC(=O)NC(CC)CCC 11a_100000747048_100000211992 [0,1,0,0,0,1|1,0,1]=4 2823 B11R0.182 CCCC(=O)NC(CC)CCC 1626a_100000747048_100000211992 [0,1,0,0,0,1|1,0,1]=4 2824 B11R0.182 CCCC(=O)NC(CC)CCC 240690a_100000747048_100000211992 [0,1,0,0,0,1|1,0,1]=4 2825 B11R0.182 CCCC(=O)NC(CC)CCC 527a_100000747048_100000211992 [0,1,0,0,0,1|1,0,1]=4 2826 B11R0.182 CCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000211992 [0,1,0,0,0,1|0,0,2]=4 2827 B11R0.182 CCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000211992 [0,1,0,0,0,1|0,0,2]=4 2828 B11R0.187 C/C=C(\C)/C(=O)CC(=O)CCC 1458a_100020587367_100000747444 [0,1,0,0,0,1|0,0,2]=4 2829 B11R0.187 C=C(CCC)CC(=O)C(C)CC 1458a_100000138376_100000758301 [0,1,0,0,0,1|1,0,0]=3 2830 B11R0.187 C=C(CCC)CC(=O)N(C)CC 11a_100000225621_100000138376 [0,1,0,0,0,1|2,0,0]=4 2831 B11R0.187 C=C(CCC)CC(=O)N(C)CC 240690a_100000225621_100000138376 [0,1,0,0,0,1|2,0,0]=4 2832 B11R0.187 C=C(CCC)CC(=O)N(C)CC 527a_100000225621_100000138376 [0,1,0,0,0,1|2,0,0]=4 2833 B11R0.187 C=CC(C)C(=O)CC(=O)CCC 1458a_100011216780_100000747444 [0,1,0,0,0,1|0,0,2]=4 2834 B11R0.187 CCC(C)C(=O)CC(=O)NCO 1458a_100011192722_100000185155 [0,1,0,0,0,1|2,0,0]=4 2835 B11R0.187 CCC(O)C(=O)CC(=O)NCO 1458a_100011196387_100000185155 [0,1,0,0,0,1|2,0,0]=4 2836 B11R0.187 CCCC(=CC(=O)C(C)CC)C 1458a_100020676950_100000758301 [0,1,0,0,0,1|1,0,0]=3 2837 B11R0.187 CCCC(=CC(=O)N(C)CC)C 11a_100000225621_100020676950 [0,1,0,0,0,1|2,0,0]=4 2838 B11R0.187 CCCC(=CC(=O)N(C)CC)C 1626a_100000225621_100020676950 [0,1,0,0,0,1|2,0,0]=4 2839 B11R0.187 CCCC(=CC(=O)N(C)CC)C 240690a_100000225621_100020676950 [0,1,0,0,0,1|2,0,0]=4 2840 B11R0.187 CCCC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000747444 [0,1,0,0,0,1|1,0,1]=4 2841 B11R0.187 CCCC(=O)CC(=O)C(C)C#N 1458a_100000753662_100000747444 [0,1,0,0,0,1|1,0,1]=4 2842 B11R0.187 CCCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747444 [0,1,0,0,0,1|0,0,0]=2 2843 B11R0.187 CCCC(=O)CC(=O)C(C)OC 1458a_100000743197_100000747444 [0,1,0,0,0,1|1,0,0]=3 2844 B11R0.187 CCCC(=O)CC(=O)C(C)SC 1458a_100000149566_100000747444 [0,1,0,0,0,1|1,0,0]=3 2845 B11R0.187 CCCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747444 [0,1,0,0,0,1|0,0,0]=2 2846 B11R0.187 CCCC(=O)CC(=O)C(O)CO 1458a_100011215603_100000747444 [0,1,0,0,0,1|1,0,0]=3 2847 B11R0.187 CCCC(=O)CC(=O)N(C)CC 1458a_100000211992_100011894763 [0,1,0,0,0,1|1,0,0]=3 2848 B11R0.187 CCCC(=O)CC(=O)N(C)OC 1458a_100000211992_100000764215 [0,1,0,0,0,1|2,0,0]=4 2849 B11R0.187 CCCC(=O)CN(C)C(C)CC 2230a_100000741768_100000747444 [0,1,0,0,0,1|2,0,0]=4 2850 B11R0.187 CCCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747444 [0,1,0,0,0,1|2,0,0]=4 2851 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100000748435_100000758301 [0,1,0,0,0,1|1,0,1]=4 2852 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100011192722_100011216630 [0,1,0,0,0,1|1,0,1]=4 2853 B11R0.187 CCCC(C)CC(=O)C(O)CC 1458a_100011196387_100011216630 [0,1,0,0,0,1|1,0,1]=4 2854 B11R0.187 CCCC(C)NC(=O)C(C)CC 11a_100000741246_100011192722 [0,1,0,0,0,1|1,0,1]=4 2855 B11R0.187 CCCC(C)NC(=O)C(C)CC 1626a_100000741246_100011192722 [0,1,0,0,0,1|1,0,1]=4 2856 B11R0.187 CCCC(C)NC(=O)C(C)CC 240690a_100000741246_100011192722 [0,1,0,0,0,1|1,0,1]=4 2857 B11R0.187 CCCC(C)NC(=O)C(C)CC 527a_100000741246_100011192722 [0,1,0,0,0,1|1,0,1]=4 2858 B11R0.187 CCCC(C)NC(=O)C(O)CC 240690a_100000741246_100011196387 [0,1,0,0,0,1|1,0,1]=4 2859 B11R0.187 CCCS(=O)CC(=O)C(C)CC 1458a_100011387404_100000758301 [0,1,0,0,0,1|1,0,0]=3 2860 B11R0.187 CCCS(=O)CC(=O)N(C)CC 11a_100000225621_100011387404 [0,1,0,0,0,1|2,0,0]=4 2861 B11R0.187 CCCS(=O)CC(=O)N(C)CC 1626a_100000225621_100011387404 [0,1,0,0,0,1|2,0,0]=4 2862 B11R0.187 CCCS(=O)CC(=O)N(C)CC 240690a_100000225621_100011387404 [0,1,0,0,0,1|2,0,0]=4 2863 B11R0.187 CCCS(=O)CC(=O)N(C)CC 527a_100000225621_100011387404 [0,1,0,0,0,1|2,0,0]=4 2864 B11R0.187 CCN(C)C(=O)CC(=O)CCO 1458a_100011216618_100011894763 [0,1,0,0,0,1|2,0,0]=4 2865 B11R0.187 CCN(C)C(=O)CC(=O)COC 1458a_100000210968_100011894763 [0,1,0,0,0,1|2,0,0]=4 2866 B11R0.187 CCN(C)C(=O)CC(=O)CSC 1458a_100000184570_100011894763 [0,1,0,0,0,1|2,0,0]=4 2867 B11R0.187 CCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183381 [0,1,0,0,0,1|1,0,0]=3 2868 B11R0.187 CCNC(=O)CC(=O)C(C)OC 1458a_100000743197_100000183381 [0,1,0,0,0,1|2,0,0]=4 2869 B11R0.187 CCNC(=O)CC(=O)C(C)SC 1458a_100000149566_100000183381 [0,1,0,0,0,1|2,0,0]=4 2870 B11R0.187 CCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183381 [0,1,0,0,0,1|1,0,0]=3 2871 B11R0.187 CCNC(=O)CC(=O)C(O)CO 1458a_100011215603_100000183381 [0,1,0,0,0,1|2,0,0]=4 2872 B11R0.187 CCNC(=O)NC(=O)C(C)NC 2230a_106832991635_100000183890 [0,1,0,0,0,1|2,0,0]=4 2873 B11R0.187 CCNC(=O)NC(=O)C(C)NC 7a_106832991635_100000183890 [0,1,0,0,0,1|2,0,0]=4 2874 B11R0.187 CCNC(=O)NC(=O)C(C)SC 62a_200000210301_100000183890 [0,1,0,0,0,1|2,0,0]=4 2875 B11R0.187 CCNC(=O)NC(=O)C(C)S[13CH3] 62a_200025704644_100000183890 [0,1,0,0,0,1|2,0,0]=4 2876 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100000243816_100000758301 [0,1,0,0,0,1|1,0,0]=3 2877 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000188475 [0,1,0,0,0,1|1,0,0]=3 2878 B11R0.187 CCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000188475 [0,1,0,0,0,1|2,0,0]=4 2879 B11R0.187 CCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000188475 [0,1,0,0,0,1|2,0,0]=4 2880 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_100010090504_200000210301 [0,1,0,0,0,1|2,0,0]=4 2881 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_200000210301_100010090504 [0,1,0,0,0,1|2,0,0]=4 2882 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_100010090504_200025704644 [0,1,0,0,0,1|2,0,0]=4 2883 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100010090504 [0,1,0,0,0,1|2,0,0]=4 2884 B11R0.187 CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000188475 [0,1,0,0,0,1|1,0,0]=3 2885 B11R0.187 CCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000188475 [0,1,0,0,0,1|2,0,0]=4 2886 B11R0.187 CCOC(=O)CC(=O)N(C)CC 240690a_100000225621_100000243816 [0,1,0,0,0,1|2,0,0]=4 2887 B11R0.353 CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210303 [0,1,0,0,0,1|0,0,2]=4 2888 B11R0.353 CCCC(=O)NS(=O)(=O)CCC 2740a_100000171175_100000211992 [0,1,0,0,0,1|1,0,0]=3 2889 B11R0.353 CCCC(=O)NS(=O)(=O)CCO 2740a_100012334274_100000211992 [0,1,0,0,0,1|2,0,0]=4 2890 B11R0.353 CCCS(=O)(=O)NC(=O)CCO 2740a_100000171175_100011216618 [0,1,0,0,0,1|2,0,0]=4 2891 B11R0.353 CCCS(=O)(=O)NC(=O)COC 2740a_100000171175_100000210968 [0,1,0,0,0,1|2,0,0]=4 2892 B11R0.353 CCCS(=O)(=O)NC(=O)CSC 2740a_100000171175_100000184570 [0,1,0,0,0,1|2,0,0]=4 2893 B11R0.11 C#CCCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000753159 [0,2,0,0,0,0|1,0,1]=4 2894 B11R0.11 C#CCCC(=O)C(=O)NCCC 1458a_200011297150_100000753159 [0,2,0,0,0,0|0,0,1]=3 2895 B11R0.11 C#CCNC(=O)C(=O)NCCC 1626a_100000212058_200011297150 [0,2,0,0,0,0|0,0,2]=4 2896 B11R0.11 C#CCNC(=O)C(=O)NCCC 240690a_100000212058_200011297150 [0,2,0,0,0,0|0,0,2]=4 2897 B11R0.11 C#CCNC(=O)C(=O)NCCC 527a_100000212058_200011297150 [0,2,0,0,0,0|0,0,2]=4 2898 B11R0.11 C/C=C/CC(=O)/C(=C/CCC)/C 1458a_200020648666_100102629194 [0,2,0,0,0,0|1,0,1]=4 2899 B11R0.11 C/C=C/CC(=O)C(=O)NCCC 1458a_200011297150_100102629194 [0,2,0,0,0,0|0,0,1]=3 2900 B11R0.11 C=CCCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000754431 [0,2,0,0,0,0|1,0,1]=4 2901 B11R0.11 C=CCCC(=O)C(=O)NCCC 1458a_200011297150_100000754431 [0,2,0,0,0,0|0,0,1]=3 2902 B11R0.11 C=CCNC(=O)C(=O)NCCC 1626a_100020586998_200011297150 [0,2,0,0,0,0|0,0,2]=4 2903 B11R0.11 C=CCNC(=O)C(=O)NCCC 240690a_100020586998_200011297150 [0,2,0,0,0,0|0,0,2]=4 2904 B11R0.11 C=CCNC(=O)C(=O)NCCC 527a_100020586998_200011297150 [0,2,0,0,0,0|0,0,2]=4 2905 B11R0.11 CC#CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000748600 [0,2,0,0,0,0|1,0,1]=4 2906 B11R0.11 CC#CCC(=O)C(=O)NCCC 1458a_200011297150_100000748600 [0,2,0,0,0,0|0,0,1]=3 2907 B11R0.11 CC=CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000070051 [0,2,0,0,0,0|1,0,1]=4 2908 B11R0.11 CC=CCC(=O)C(=O)NCCC 1458a_200011297150_100000070051 [0,2,0,0,0,0|0,0,1]=3 2909 B11R0.11 CCC/C=C(\C)/C(=O)CCC#N 1458a_200020648666_100011215226 [0,2,0,0,0,0|1,0,1]=4 2910 B11R0.11 CCC/C=C(\C)/C(=O)CCCC 1458a_200020648666_100000210211 [0,2,0,0,0,0|1,0,0]=3 2911 B11R0.11 CCC/C=C(\C)/C(=O)CCCF 1458a_200020648666_100011934791 [0,2,0,0,0,0|1,0,0]=3 2912 B11R0.11 CCC/C=C(\C)/C(=O)CCCO 1458a_200020648666_100011215043 [0,2,0,0,0,0|1,0,0]=3 2913 B11R0.11 CCC/C=C(\C)/C(=O)CCOC 1458a_200020648666_100000233755 [0,2,0,0,0,0|1,0,0]=3 2914 B11R0.11 CCC/C=C(\C)/C(=O)CCSC 1458a_200020648666_100000751147 [0,2,0,0,0,0|1,0,0]=3 2915 B11R0.11 CCC/C=C(\C)/C(=O)NCCC 11a_100020643023_200020648666 [0,2,0,0,0,0|1,0,0]=3 2916 B11R0.11 CCC/C=C(\C)/C(=O)NCCC 1626a_100020643023_200020648666 [0,2,0,0,0,0|1,0,0]=3 2917 B11R0.11 CCC/C=C(\C)/C(=O)NCCC 240690a_100020643023_200020648666 [0,2,0,0,0,0|1,0,0]=3 2918 B11R0.11 CCC/C=C(\C)/C(=O)NCCF 11a_100000724931_200020648666 [0,2,0,0,0,0|2,0,0]=4 2919 B11R0.11 CCC/C=C(\C)/C(=O)NCCF 1626a_100000724931_200020648666 [0,2,0,0,0,0|2,0,0]=4 2920 B11R0.11 CCC/C=C(\C)/C(=O)NCCF 240690a_100000724931_200020648666 [0,2,0,0,0,0|2,0,0]=4 2921 B11R0.11 CCC/C=C(\C)/C(=O)NCCO 240690a_100000210304_200020648666 [0,2,0,0,0,0|2,0,0]=4 2922 B11R0.11 CCC/C=C(\C)/C(=O)NNCC 22a_100000756455_200020648666 [0,2,0,0,0,0|2,0,0]=4 2923 B11R0.11 CCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210211 [0,2,0,0,0,0|0,0,0]=2 2924 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [0,2,0,0,0,0|1,0,1]=4 2925 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [0,2,0,0,0,0|1,0,1]=4 2926 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [0,2,0,0,0,0|0,0,2]=4 2927 B11R0.11 CCCCC(=O)C(O)CCSC 1458a_100000685904_100000210211 [0,2,0,0,0,0|0,0,2]=4 2928 B11R0.11 CCCCC(=O)N(C)CCCC 11a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 2929 B11R0.11 CCCCC(=O)N(C)CCCC 1626a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 2930 B11R0.11 CCCCC(=O)N(C)CCCC 240690a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 2931 B11R0.11 CCCCC(=O)N(C)CCCC 527a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 2932 B11R0.11 CCCCC(=O)N(C)CCCO 240690a_100000213112_100000210183 [0,2,0,0,0,0|2,0,0]=4 2933 B11R0.11 CCCCC(=O)N(C)CCCO 527a_100000213112_100000210183 [0,2,0,0,0,0|2,0,0]=4 2934 B11R0.11 CCCCC(=O)N(C)CCOC 11a_100000743101_100000210183 [0,2,0,0,0,0|2,0,0]=4 2935 B11R0.11 CCCCC(=O)N(C)CCOC 1626a_100000743101_100000210183 [0,2,0,0,0,0|2,0,0]=4 2936 B11R0.11 CCCCC(=O)N(C)CCOC 240690a_100000743101_100000210183 [0,2,0,0,0,0|2,0,0]=4 2937 B11R0.11 CCCCC(=O)N(C)CCOC 527a_100000743101_100000210183 [0,2,0,0,0,0|2,0,0]=4 2938 B11R0.11 CCCCC(=O)N(C)CCSC 11a_100000686725_100000210183 [0,2,0,0,0,0|2,0,0]=4 2939 B11R0.11 CCCCC(=O)N(C)CCSC 1626a_100000686725_100000210183 [0,2,0,0,0,0|2,0,0]=4 2940 B11R0.11 CCCCC(=O)N(C)CCSC 240690a_100000686725_100000210183 [0,2,0,0,0,0|2,0,0]=4 2941 B11R0.11 CCCCC(=O)N(C)CCSC 527a_100000686725_100000210183 [0,2,0,0,0,0|2,0,0]=4 2942 B11R0.11 CCCCC(C)C(=O)CCCF 1458a_100000725509_100011934791 [0,2,0,0,0,0|1,0,1]=4 2943 B11R0.11 CCCCC(C)C(=O)CCCO 1458a_100000725509_100011215043 [0,2,0,0,0,0|1,0,1]=4 2944 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000725509_100000233755 [0,2,0,0,0,0|1,0,1]=4 2945 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000749529_200011215066 [0,2,0,0,0,0|1,0,1]=4 2946 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000174002_200011215066 [0,2,0,0,0,0|1,0,1]=4 2947 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000725509_100000751147 [0,2,0,0,0,0|1,0,1]=4 2948 B11R0.11 CCCCC(C)C(=O)COCC 1458a_100000211967_200011215066 [0,2,0,0,0,0|1,0,1]=4 2949 B11R0.11 CCCCC(C)C(=O)CSCC 1458a_100000230394_200011215066 [0,2,0,0,0,0|1,0,1]=4 2950 B11R0.11 CCCCC(C)C(=O)NCCC 11a_100020643023_100000725509 [0,2,0,0,0,0|1,0,1]=4 2951 B11R0.11 CCCCC(C)C(=O)NCCC 1626a_100020643023_100000725509 [0,2,0,0,0,0|1,0,1]=4 2952 B11R0.11 CCCCC(C)C(=O)NCCC 240690a_100020643023_100000725509 [0,2,0,0,0,0|1,0,1]=4 2953 B11R0.11 CCCCC(C)C(=O)NCCC 527a_100020643023_100000725509 [0,2,0,0,0,0|1,0,1]=4 2954 B11R0.11 CCCCC(O)C(=O)CCCF 1458a_100000720857_100011934791 [0,2,0,0,0,0|0,0,2]=4 2955 B11R0.11 CCCCC(O)C(=O)CCCO 1458a_100000720857_100011215043 [0,2,0,0,0,0|0,0,2]=4 2956 B11R0.11 CCCCC(O)C(=O)CCOC 1458a_100000720857_100000233755 [0,2,0,0,0,0|0,0,2]=4 2957 B11R0.11 CCCCC(O)C(=O)CCSC 1458a_100000720857_100000751147 [0,2,0,0,0,0|0,0,2]=4 2958 B11R0.11 CCCCC(O)C(=O)NCCC 240690a_100020643023_100000720857 [0,2,0,0,0,0|0,0,2]=4 2959 B11R0.11 CCCCC(O)C(=O)NCCC 527a_100020643023_100000720857 [0,2,0,0,0,0|0,0,2]=4 2960 B11R0.11 CCCCN(C)C(=O)CCOC 11a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 2961 B11R0.11 CCCCN(C)C(=O)CCOC 1626a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 2962 B11R0.11 CCCCN(C)C(=O)CCOC 240690a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 2963 B11R0.11 CCCCN(C)C(=O)CCOC 527a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 2964 B11R0.11 CCCCN(C)C(=O)CCSC 11a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 2965 B11R0.11 CCCCN(C)C(=O)CCSC 1626a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 2966 B11R0.11 CCCCN(C)C(=O)CCSC 240690a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 2967 B11R0.11 CCCCN(C)C(=O)CCSC 527a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 2968 B11R0.11 CCCCN(C)C(=O)CNCC 2230a_100015525214_100000230175 [0,2,0,0,0,0|2,0,0]=4 2969 B11R0.11 CCCCN(C)C(=O)COCC 11a_100000207549_100000211967 [0,2,0,0,0,0|2,0,0]=4 2970 B11R0.11 CCCCN(C)C(=O)COCC 1626a_100000207549_100000211967 [0,2,0,0,0,0|2,0,0]=4 2971 B11R0.11 CCCCN(C)C(=O)COCC 240690a_100000207549_100000211967 [0,2,0,0,0,0|2,0,0]=4 2972 B11R0.11 CCCCN(C)C(=O)COCC 34a_100121572206_100000230175 [0,2,0,0,0,0|2,0,0]=4 2973 B11R0.11 CCCCN(C)C(=O)COCC 527a_100000207549_100000211967 [0,2,0,0,0,0|2,0,0]=4 2974 B11R0.11 CCCCN(C)C(=O)CSCC 11a_100000207549_100000230394 [0,2,0,0,0,0|2,0,0]=4 2975 B11R0.11 CCCCN(C)C(=O)CSCC 1626a_100000207549_100000230394 [0,2,0,0,0,0|2,0,0]=4 2976 B11R0.11 CCCCN(C)C(=O)CSCC 240690a_100000207549_100000230394 [0,2,0,0,0,0|2,0,0]=4 2977 B11R0.11 CCCCN(C)C(=O)CSCC 527a_100000207549_100000230394 [0,2,0,0,0,0|2,0,0]=4 2978 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000210202_100000230175 [0,2,0,0,0,0|2,0,0]=4 2979 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000230175_100000210202 [0,2,0,0,0,0|2,0,0]=4 2980 B11R0.11 CCCCN(C)C(=O)NCCC 2708a_100020643023_100000207549 [0,2,0,0,0,0|2,0,0]=4 2981 B11R0.11 CCCCN(C)C(=O)NCCC 273464a_100020643023_100000207549 [0,2,0,0,0,0|2,0,0]=4 2982 B11R0.11 CCCNC(=O)C(=O)CCC#N 1458a_200011297150_100011215226 [0,2,0,0,0,0|0,0,1]=3 2983 B11R0.11 CCCNC(=O)C(=O)CCCF 1458a_200011297150_100011934791 [0,2,0,0,0,0|0,0,0]=2 2984 B11R0.11 CCCNC(=O)C(=O)CCCO 1458a_200011297150_100011215043 [0,2,0,0,0,0|0,0,0]=2 2985 B11R0.11 CCCNC(=O)C(=O)CCOC 1458a_200011297150_100000233755 [0,2,0,0,0,0|0,0,0]=2 2986 B11R0.11 CCCNC(=O)C(=O)CCSC 1458a_200011297150_100000751147 [0,2,0,0,0,0|0,0,0]=2 2987 B11R0.11 CCCNC(=O)C(=O)NCC#N 1626a_100000734998_200011297150 [0,2,0,0,0,0|1,0,1]=4 2988 B11R0.11 CCCNC(=O)C(=O)NCC#N 527a_100000734998_200011297150 [0,2,0,0,0,0|1,0,1]=4 2989 B11R0.11 CCCNC(=O)C(=O)NCCC 1626a_100020643023_200011297150 [0,2,0,0,0,0|0,0,0]=2 2990 B11R0.11 CCCNC(=O)C(=O)NCCC 240690a_100020643023_200011297150 [0,2,0,0,0,0|0,0,0]=2 2991 B11R0.11 CCCNC(=O)C(=O)NCCC 527a_100020643023_200011297150 [0,2,0,0,0,0|0,0,0]=2 2992 B11R0.11 CCCNC(=O)C(=O)NCCF 1626a_100000724931_200011297150 [0,2,0,0,0,0|1,0,0]=3 2993 B11R0.11 CCCNC(=O)C(=O)NCCF 240690a_100000724931_200011297150 [0,2,0,0,0,0|1,0,0]=3 2994 B11R0.11 CCCNC(=O)C(=O)NCCF 527a_100000724931_200011297150 [0,2,0,0,0,0|1,0,0]=3 2995 B11R0.11 CCCNC(=O)C(=O)NCCO 240690a_100000210304_200011297150 [0,2,0,0,0,0|1,0,0]=3 2996 B11R0.11 CCCNC(=O)C(=O)NCCO 527a_100000210304_200011297150 [0,2,0,0,0,0|1,0,0]=3 2997 B11R0.11 CCCNC(=O)C(=O)NNCC 22a_100000756455_200011297150 [0,2,0,0,0,0|1,0,0]=3 2998 B11R0.11 CCCNC(=O)C(C)NCCC 2230a_100025744714_100000210303 [0,2,0,0,0,0|1,0,1]=4 2999 B11R0.11 CCCNC(=O)C(C)NCCC 34a_100025744714_100000210303 [0,2,0,0,0,0|1,0,1]=4 3000 B11R0.11 CCCNC(=O)C(C)OCCC 34a_100000210258_100000230305 [0,2,0,0,0,0|1,0,1]=4 3001 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000210303_100000230305 [0,2,0,0,0,0|1,0,1]=4 3002 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000230305_100000210303 [0,2,0,0,0,0|1,0,1]=4 3003 B11R0.11 CCCNC(=O)C(O)CCSC 240690a_100020643023_100000685904 [0,2,0,0,0,0|0,0,2]=4 3004 B11R0.11 CCCNC(=O)N(C)CCCO 2708a_100020643023_100000213112 [0,2,0,0,0,0|2,0,0]=4 3005 B11R0.11 CCCNC(=O)N(C)CCCO 273464a_100020643023_100000213112 [0,2,0,0,0,0|2,0,0]=4 3006 B11R0.11 CCCNC(=O)N(C)CCOC 2708a_100020643023_100000743101 [0,2,0,0,0,0|2,0,0]=4 3007 B11R0.11 CCCNC(=O)N(C)CCOC 273464a_100020643023_100000743101 [0,2,0,0,0,0|2,0,0]=4 3008 B11R0.11 CCCNC(=O)N(C)CCSC 2708a_100020643023_100000686725 [0,2,0,0,0,0|2,0,0]=4 3009 B11R0.11 CCCNC(=O)N(C)CCSC 273464a_100020643023_100000686725 [0,2,0,0,0,0|2,0,0]=4 3010 B11R0.11 CCCOC(=O)C(=NNCC)C 4a_100000756455_100010632825 [0,2,0,0,0,0|2,0,0]=4 3011 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000037348_100000210303 [0,2,0,0,0,0|1,0,1]=4 3012 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000210258_100000760410 [0,2,0,0,0,0|1,0,1]=4 3013 B11R0.11 CCCOC(=O)C(C)OCCC 7a_100000037348_100000210303 [0,2,0,0,0,0|1,0,1]=4 3014 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000210303_100000760410 [0,2,0,0,0,0|1,0,1]=4 3015 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000760410_100000210303 [0,2,0,0,0,0|1,0,1]=4 3016 B11R0.11 CCOCC(=O)N(C)CCCO 240690a_100000213112_100000211967 [0,2,0,0,0,0|2,0,0]=4 3017 B11R0.11 CCOCC(=O)N(C)CCCO 527a_100000213112_100000211967 [0,2,0,0,0,0|2,0,0]=4 3018 B11R0.11 CCOCC(=O)N(C)CCOC 11a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 3019 B11R0.11 CCOCC(=O)N(C)CCOC 1626a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 3020 B11R0.11 CCOCC(=O)N(C)CCOC 240690a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 3021 B11R0.11 CCOCC(=O)N(C)CCOC 527a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 3022 B11R0.11 CCOCC(=O)N(C)CCSC 11a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 3023 B11R0.11 CCOCC(=O)N(C)CCSC 1626a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 3024 B11R0.11 CCOCC(=O)N(C)CCSC 240690a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 3025 B11R0.11 CCOCC(=O)N(C)CCSC 527a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 3026 B11R0.11 CCSCC(=O)N(C)CCCO 240690a_100000213112_100000230394 [0,2,0,0,0,0|2,0,0]=4 3027 B11R0.11 CCSCC(=O)N(C)CCCO 527a_100000213112_100000230394 [0,2,0,0,0,0|2,0,0]=4 3028 B11R0.11 CCSCC(=O)N(C)CCOC 11a_100000743101_100000230394 [0,2,0,0,0,0|2,0,0]=4 3029 B11R0.11 CCSCC(=O)N(C)CCOC 1626a_100000743101_100000230394 [0,2,0,0,0,0|2,0,0]=4 3030 B11R0.11 CCSCC(=O)N(C)CCOC 240690a_100000743101_100000230394 [0,2,0,0,0,0|2,0,0]=4 3031 B11R0.11 CCSCC(=O)N(C)CCOC 527a_100000743101_100000230394 [0,2,0,0,0,0|2,0,0]=4 3032 B11R0.11 CCSCC(=O)N(C)CCSC 11a_100000686725_100000230394 [0,2,0,0,0,0|2,0,0]=4 3033 B11R0.11 CCSCC(=O)N(C)CCSC 1626a_100000686725_100000230394 [0,2,0,0,0,0|2,0,0]=4 3034 B11R0.11 CCSCC(=O)N(C)CCSC 240690a_100000686725_100000230394 [0,2,0,0,0,0|2,0,0]=4 3035 B11R0.11 CCSCC(=O)N(C)CCSC 527a_100000686725_100000230394 [0,2,0,0,0,0|2,0,0]=4 3036 B11R0.11 COCCC(=O)C(O)CCSC 1458a_100000685904_100000233755 [0,2,0,0,0,0|0,0,2]=4 3037 B11R0.11 COCCC(=O)N(C)CCCO 240690a_100000213112_100000749529 [0,2,0,0,0,0|2,0,0]=4 3038 B11R0.11 COCCC(=O)N(C)CCCO 527a_100000213112_100000749529 [0,2,0,0,0,0|2,0,0]=4 3039 B11R0.11 COCCC(=O)N(C)CCOC 11a_100000743101_100000749529 [0,2,0,0,0,0|2,0,0]=4 3040 B11R0.11 COCCC(=O)N(C)CCOC 1626a_100000743101_100000749529 [0,2,0,0,0,0|2,0,0]=4 3041 B11R0.11 COCCC(=O)N(C)CCOC 240690a_100000743101_100000749529 [0,2,0,0,0,0|2,0,0]=4 3042 B11R0.11 COCCC(=O)N(C)CCOC 527a_100000743101_100000749529 [0,2,0,0,0,0|2,0,0]=4 3043 B11R0.11 COCCC(=O)N(C)CCSC 11a_100000686725_100000749529 [0,2,0,0,0,0|2,0,0]=4 3044 B11R0.11 COCCC(=O)N(C)CCSC 1626a_100000686725_100000749529 [0,2,0,0,0,0|2,0,0]=4 3045 B11R0.11 COCCC(=O)N(C)CCSC 240690a_100000686725_100000749529 [0,2,0,0,0,0|2,0,0]=4 3046 B11R0.11 COCCC(=O)N(C)CCSC 527a_100000686725_100000749529 [0,2,0,0,0,0|2,0,0]=4 3047 B11R0.11 COCCN(C)C(=O)CCSC 11a_100000743101_100000174002 [0,2,0,0,0,0|2,0,0]=4 3048 B11R0.11 COCCN(C)C(=O)CCSC 1626a_100000743101_100000174002 [0,2,0,0,0,0|2,0,0]=4 3049 B11R0.11 COCCN(C)C(=O)CCSC 240690a_100000743101_100000174002 [0,2,0,0,0,0|2,0,0]=4 3050 B11R0.11 COCCN(C)C(=O)CCSC 527a_100000743101_100000174002 [0,2,0,0,0,0|2,0,0]=4 3051 B11R0.11 CSCCC(=O)C(O)CCSC 1458a_100000685904_100000751147 [0,2,0,0,0,0|0,0,2]=4 3052 B11R0.11 CSCCC(=O)N(C)CCCO 240690a_100000213112_100000174002 [0,2,0,0,0,0|2,0,0]=4 3053 B11R0.11 CSCCC(=O)N(C)CCCO 527a_100000213112_100000174002 [0,2,0,0,0,0|2,0,0]=4 3054 B11R0.11 CSCCC(=O)N(C)CCSC 11a_100000686725_100000174002 [0,2,0,0,0,0|2,0,0]=4 3055 B11R0.11 CSCCC(=O)N(C)CCSC 1626a_100000686725_100000174002 [0,2,0,0,0,0|2,0,0]=4 3056 B11R0.11 CSCCC(=O)N(C)CCSC 240690a_100000686725_100000174002 [0,2,0,0,0,0|2,0,0]=4 3057 B11R0.11 CSCCC(=O)N(C)CCSC 527a_100000686725_100000174002 [0,2,0,0,0,0|2,0,0]=4 3058 B11R0.11 CSCCC(O)C(=O)CCCF 1458a_100000685904_100011934791 [0,2,0,0,0,0|0,0,2]=4 3059 B11R0.11 CSCCC(O)C(=O)CCCO 1458a_100000685904_100011215043 [0,2,0,0,0,0|0,0,2]=4 3060 B11R0.12 CCCC(C)(C)C(=O)CCCF 1458a_100011215034_100011934791 [0,2,0,0,0,0|1,0,1]=4 3061 B11R0.12 CCCC(C)(C)C(=O)CCCO 1458a_100011215034_100011215043 [0,2,0,0,0,0|1,0,1]=4 3062 B11R0.12 CCCC(C)(C)C(=O)CCOC 1458a_100011215034_100000233755 [0,2,0,0,0,0|1,0,1]=4 3063 B11R0.12 CCCC(C)(C)C(=O)CCSC 1458a_100011215034_100000751147 [0,2,0,0,0,0|1,0,1]=4 3064 B11R0.12 CCCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210211 [0,2,0,0,0,0|1,0,1]=4 3065 B11R0.12 CCCNC(=O)C(C)(C)CCC 11a_100020643023_100011215034 [0,2,0,0,0,0|1,0,1]=4 3066 B11R0.12 CCCNC(=O)C(C)(C)CCC 1626a_100020643023_100011215034 [0,2,0,0,0,0|1,0,1]=4 3067 B11R0.12 CCCNC(=O)C(C)(C)CCC 240690a_100020643023_100011215034 [0,2,0,0,0,0|1,0,1]=4 3068 B11R0.12 CCCNC(=O)C(C)(C)CCC 527a_100020643023_100011215034 [0,2,0,0,0,0|1,0,1]=4 3069 B11R0.43 C#CC(C)NC(=O)C(=O)NCC 1626a_100000707721_200011297158 [0,2,0,0,0,0|2,0,0]=4 3070 B11R0.43 C#CC(C)NC(=O)C(=O)NCC 240690a_100000707721_200011297158 [0,2,0,0,0,0|2,0,0]=4 3071 B11R0.43 C#CC(C)NC(=O)C(=O)NCC 527a_100000707721_200011297158 [0,2,0,0,0,0|2,0,0]=4 3072 B11R0.43 C#CC(C)NC(=O)C(=O)OCC 11a_100000707721_100014798877 [0,2,0,0,0,0|2,0,0]=4 3073 B11R0.43 C#CC(C)NC(=O)C(=O)OCC 1626a_100000707721_100014798877 [0,2,0,0,0,0|2,0,0]=4 3074 B11R0.43 C#CC(C)NC(=O)C(=O)OCC 240690a_100000707721_100014798877 [0,2,0,0,0,0|2,0,0]=4 3075 B11R0.43 C#CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000184674 [0,2,0,0,0,0|0,0,2]=4 3076 B11R0.43 C=C(CN(C)CC)C(=O)OCC 269982a_100000225621_100000755967 [0,2,0,0,0,0|2,0,0]=4 3077 B11R0.43 C=CC(C)CC(=O)C(C)CCC 1458a_100011934298_100000766640 [0,2,0,0,0,0|1,0,1]=4 3078 B11R0.43 C=CC(C)CC(=O)N(C)CCC 11a_100000747261_100011934298 [0,2,0,0,0,0|2,0,0]=4 3079 B11R0.43 C=CC(C)CC(=O)N(C)CCC 1626a_100000747261_100011934298 [0,2,0,0,0,0|2,0,0]=4 3080 B11R0.43 C=CC(C)CC(=O)N(C)CCC 240690a_100000747261_100011934298 [0,2,0,0,0,0|2,0,0]=4 3081 B11R0.43 C=CC(C)CC(=O)N(C)CCC 527a_100000747261_100011934298 [0,2,0,0,0,0|2,0,0]=4 3082 B11R0.43 C=CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210623 [0,2,0,0,0,0|0,0,2]=4 3083 B11R0.43 CC/C=C(\C)/C(=O)CC(=O)CC 1458a_100016988807_100000747405 [0,2,0,0,0,0|1,0,1]=4 3084 B11R0.43 CC/C=C(\C)/C(=O)CC(C)CC 1458a_100016988807_100000748023 [0,2,0,0,0,0|1,0,1]=4 3085 B11R0.43 CC/C=C(\C)/C(=O)CC(O)CC 1458a_100016988807_100011218378 [0,2,0,0,0,0|1,0,1]=4 3086 B11R0.43 CC/C=C(\C)/C(=O)C[C@@H](C)CC 1458a_100016988807_100009816398 [0,2,0,0,0,0|1,0,1]=4 3087 B11R0.43 CC/C=C(\C)/C(=O)C[C@@H](C)CO 1458a_100016988807_100000059175 [0,2,0,0,0,0|1,0,1]=4 3088 B11R0.43 CC/C=C(\C)/C(=O)NC(C)CC 11a_100000209981_100016988807 [0,2,0,0,0,0|1,0,1]=4 3089 B11R0.43 CC/C=C(\C)/C(=O)NC(C)CC 1626a_100000209981_100016988807 [0,2,0,0,0,0|1,0,1]=4 3090 B11R0.43 CC/C=C(\C)/C(=O)NC(C)CC 240690a_100000209981_100016988807 [0,2,0,0,0,0|1,0,1]=4 3091 B11R0.43 CC/C=C(\C)/C(=O)NC(C)CC 527a_100000209981_100016988807 [0,2,0,0,0,0|1,0,1]=4 3092 B11R0.43 CCC(C)NC(=O)C(=O)CC#N 1458a_200011297154_100011214920 [0,2,0,0,0,0|1,0,1]=4 3093 B11R0.43 CCC(C)NC(=O)C(=O)CCF 1458a_200011297154_100011217306 [0,2,0,0,0,0|1,0,0]=3 3094 B11R0.43 CCC(C)NC(=O)C(=O)CCO 1458a_200011297154_100000211926 [0,2,0,0,0,0|1,0,0]=3 3095 B11R0.43 CCC(C)NC(=O)C(=O)NNC 22a_100016993582_200011297154 [0,2,0,0,0,0|2,0,0]=4 3096 B11R0.43 CCCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210303 [0,2,0,0,0,0|0,0,0]=2 3097 B11R0.43 CCCC(=O)C(C)CN(C)CC 1458a_200015185930_100000210303 [0,2,0,0,0,0|1,0,1]=4 3098 B11R0.43 CCCC(=O)N(C)CC(C)CC 11a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 3099 B11R0.43 CCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 3100 B11R0.43 CCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 3101 B11R0.43 CCCC(=O)N(C)CC(C)CC 527a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 3102 B11R0.43 CCCC(=O)N(C)CC(O)CO 240690a_100011216503_100000211992 [0,2,0,0,0,0|2,0,0]=4 3103 B11R0.43 CCCC(=O)N(C)CC(O)CO 527a_100011216503_100000211992 [0,2,0,0,0,0|2,0,0]=4 3104 B11R0.43 CCCC(C)C(=O)CC(=O)CC 1458a_100000210906_100000747405 [0,2,0,0,0,0|1,0,1]=4 3105 B11R0.43 CCCC(C)C(=O)CC(C)CC 1458a_100000210906_100000748023 [0,2,0,0,0,0|1,0,1]=4 3106 B11R0.43 CCCC(C)C(=O)CC(C)CC 1458a_100000708755_100000766640 [0,2,0,0,0,0|1,0,1]=4 3107 B11R0.43 CCCC(C)C(=O)CC(O)CC 1458a_100000210906_100011218378 [0,2,0,0,0,0|1,0,1]=4 3108 B11R0.43 CCCC(C)C(=O)CC(O)CC 1458a_100011667805_100000766640 [0,2,0,0,0,0|1,0,1]=4 3109 B11R0.43 CCCC(C)C(=O)CN(C)CC 1458a_100116209913_100000766640 [0,2,0,0,0,0|1,0,1]=4 3110 B11R0.43 CCCC(C)C(=O)C[C@@H](C)CC 1458a_100000210906_100009816398 [0,2,0,0,0,0|1,0,1]=4 3111 B11R0.43 CCCC(C)C(=O)C[C@@H](C)CO 1458a_100000210906_100000059175 [0,2,0,0,0,0|1,0,1]=4 3112 B11R0.43 CCCC(C)C(=O)NC(C)CC 11a_100000209981_100000210906 [0,2,0,0,0,0|1,0,1]=4 3113 B11R0.43 CCCC(C)C(=O)NC(C)CC 1626a_100000209981_100000210906 [0,2,0,0,0,0|1,0,1]=4 3114 B11R0.43 CCCC(C)C(=O)NC(C)CC 240690a_100000209981_100000210906 [0,2,0,0,0,0|1,0,1]=4 3115 B11R0.43 CCCC(C)C(=O)NC(C)CC 527a_100000209981_100000210906 [0,2,0,0,0,0|1,0,1]=4 3116 B11R0.43 CCCN(C)C(=O)CC(C)CC 11a_100000747261_100000708755 [0,2,0,0,0,0|2,0,0]=4 3117 B11R0.43 CCCN(C)C(=O)CC(C)CC 1626a_100000747261_100000708755 [0,2,0,0,0,0|2,0,0]=4 3118 B11R0.43 CCCN(C)C(=O)CC(C)CC 240690a_100000747261_100000708755 [0,2,0,0,0,0|2,0,0]=4 3119 B11R0.43 CCCN(C)C(=O)CC(C)CC 527a_100000747261_100000708755 [0,2,0,0,0,0|2,0,0]=4 3120 B11R0.43 CCCN(C)C(=O)CC(O)CC 1626a_100000747261_100011667805 [0,2,0,0,0,0|2,0,0]=4 3121 B11R0.43 CCCN(C)C(=O)CC(O)CC 240690a_100000747261_100011667805 [0,2,0,0,0,0|2,0,0]=4 3122 B11R0.43 CCCN(C)C(=O)CN(C)CC 240690a_100000747261_100116209913 [0,2,0,0,0,0|2,0,0]=4 3123 B11R0.43 CCCN(C)C(=O)CN(C)CC 527a_100000747261_100116209913 [0,2,0,0,0,0|2,0,0]=4 3124 B11R0.43 CCCN(C)C(=O)NC(C)CC 2708a_100000209981_100000747261 [0,2,0,0,0,0|2,0,0]=4 3125 B11R0.43 CCCN(C)C(=O)NC(C)CC 273464a_100000209981_100000747261 [0,2,0,0,0,0|2,0,0]=4 3126 B11R0.43 CCC[C@H](O)C(=O)CC(=O)CC 1458a_100009822183_100000747405 [0,2,0,0,0,0|0,0,2]=4 3127 B11R0.43 CCC[C@H](O)C(=O)CC(C)CC 1458a_100009822183_100000748023 [0,2,0,0,0,0|0,0,2]=4 3128 B11R0.43 CCC[C@H](O)C(=O)CC(O)CC 1458a_100009822183_100011218378 [0,2,0,0,0,0|0,0,2]=4 3129 B11R0.43 CCC[C@H](O)C(=O)C[C@@H](C)CC 1458a_100009822183_100009816398 [0,2,0,0,0,0|0,0,2]=4 3130 B11R0.43 CCC[C@H](O)C(=O)C[C@@H](C)CO 1458a_100009822183_100000059175 [0,2,0,0,0,0|0,0,2]=4 3131 B11R0.43 CCC[C@H](O)C(=O)NC(C)CC 240690a_100000209981_100009822183 [0,2,0,0,0,0|0,0,2]=4 3132 B11R0.43 CCNC(=O)C(=O)CC(=O)CC 1458a_200011297158_100000747405 [0,2,0,0,0,0|1,0,0]=3 3133 B11R0.43 CCNC(=O)C(=O)CC(=O)NC 1458a_200011297158_100000183359 [0,2,0,0,0,0|1,0,1]=4 3134 B11R0.43 CCNC(=O)C(=O)CC(=O)OC 1458a_200011297158_100000747449 [0,2,0,0,0,0|1,0,1]=4 3135 B11R0.43 CCNC(=O)C(=O)CC(C)CC 1458a_200011297158_100000748023 [0,2,0,0,0,0|1,0,0]=3 3136 B11R0.43 CCNC(=O)C(=O)CC(O)CC 1458a_200011297158_100011218378 [0,2,0,0,0,0|1,0,0]=3 3137 B11R0.43 CCNC(=O)C(=O)C[C@@H](C)CC 1458a_200011297158_100009816398 [0,2,0,0,0,0|1,0,0]=3 3138 B11R0.43 CCNC(=O)C(=O)C[C@@H](C)CO 1458a_200011297158_100000059175 [0,2,0,0,0,0|1,0,0]=3 3139 B11R0.43 CCNC(=O)C(=O)NC(C)C#N 1626a_100000737613_200011297158 [0,2,0,0,0,0|2,0,0]=4 3140 B11R0.43 CCNC(=O)C(=O)NC(C)C#N 527a_100000737613_200011297158 [0,2,0,0,0,0|2,0,0]=4 3141 B11R0.43 CCNC(=O)C(=O)NC(C)CC 1626a_100000209981_200011297158 [0,2,0,0,0,0|1,0,0]=3 3142 B11R0.43 CCNC(=O)C(=O)NC(C)CC 240690a_100000209981_200011297158 [0,2,0,0,0,0|1,0,0]=3 3143 B11R0.43 CCNC(=O)C(=O)NC(C)CC 240690a_100015525214_200011297154 [0,2,0,0,0,0|1,0,0]=3 3144 B11R0.43 CCNC(=O)C(=O)NC(C)CC 527a_100000209981_200011297158 [0,2,0,0,0,0|1,0,0]=3 3145 B11R0.43 CCNC(=O)C(=O)NC(C)CC 527a_100015525214_200011297154 [0,2,0,0,0,0|1,0,0]=3 3146 B11R0.43 CCNC(=O)C(=O)N[C@H](C)CF 1626a_100102880703_200011297158 [0,2,0,0,0,0|2,0,0]=4 3147 B11R0.43 CCNC(=O)C(=O)N[C@H](C)CF 240690a_100102880703_200011297158 [0,2,0,0,0,0|2,0,0]=4 3148 B11R0.43 CCNC(=O)C(=O)N[C@H](C)CF 527a_100102880703_200011297158 [0,2,0,0,0,0|2,0,0]=4 3149 B11R0.43 CCNC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_200011297158 [0,2,0,0,0,0|2,0,0]=4 3150 B11R0.43 CCNC(=O)C(=O)N[C@H](C)CO 527a_100000737577_200011297158 [0,2,0,0,0,0|2,0,0]=4 3151 B11R0.43 CCOC(=O)C(=O)CN(C)CC 269982a_100000225621_100000211299 [0,2,0,0,0,0|1,0,0]=3 3152 B11R0.43 CCOC(=O)C(=O)NC(C)C#N 11a_100000737613_100014798877 [0,2,0,0,0,0|2,0,0]=4 3153 B11R0.43 CCOC(=O)C(=O)NC(C)C#N 1626a_100000737613_100014798877 [0,2,0,0,0,0|2,0,0]=4 3154 B11R0.43 CCOC(=O)C(=O)NC(C)CC 11a_100000209981_100014798877 [0,2,0,0,0,0|1,0,0]=3 3155 B11R0.43 CCOC(=O)C(=O)NC(C)CC 1626a_100000209981_100014798877 [0,2,0,0,0,0|1,0,0]=3 3156 B11R0.43 CCOC(=O)C(=O)NC(C)CC 240690a_100000209981_100014798877 [0,2,0,0,0,0|1,0,0]=3 3157 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CF 11a_100102880703_100014798877 [0,2,0,0,0,0|2,0,0]=4 3158 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CF 1626a_100102880703_100014798877 [0,2,0,0,0,0|2,0,0]=4 3159 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CF 240690a_100102880703_100014798877 [0,2,0,0,0,0|2,0,0]=4 3160 B11R0.43 CCOC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100014798877 [0,2,0,0,0,0|2,0,0]=4 3161 B11R0.59 C#CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000184674 [0,2,0,0,0,0|0,0,2]=4 3162 B11R0.59 C=C(C)CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000730704 [0,2,0,0,0,0|1,0,1]=4 3163 B11R0.59 C=C(C)CCC(=O)C(=O)NCC 1458a_200011297158_100000730704 [0,2,0,0,0,0|1,0,0]=3 3164 B11R0.59 C=C(C)CCC(=O)C(C)CCC 1458a_100000210906_100000730704 [0,2,0,0,0,0|1,0,1]=4 3165 B11R0.59 C=C(C)CCC(=O)C(C)CCC 1458a_200000688413_100000766640 [0,2,0,0,0,0|1,0,1]=4 3166 B11R0.59 C=C(C)CCC(=O)N(C)CCC 11a_100000747261_200000688413 [0,2,0,0,0,0|2,0,0]=4 3167 B11R0.59 C=C(C)CCC(=O)N(C)CCC 1626a_100000747261_200000688413 [0,2,0,0,0,0|2,0,0]=4 3168 B11R0.59 C=C(C)CCC(=O)N(C)CCC 240690a_100000747261_200000688413 [0,2,0,0,0,0|2,0,0]=4 3169 B11R0.59 C=C(C)CCC(=O)N(C)CCC 527a_100000747261_200000688413 [0,2,0,0,0,0|2,0,0]=4 3170 B11R0.59 C=C(C)CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000730704 [0,2,0,0,0,0|0,0,2]=4 3171 B11R0.59 C=C(C)CNC(=O)C(=O)NCC 1626a_100000765925_200011297158 [0,2,0,0,0,0|1,0,1]=4 3172 B11R0.59 C=C(C)CNC(=O)C(=O)NCC 240690a_100000765925_200011297158 [0,2,0,0,0,0|1,0,1]=4 3173 B11R0.59 C=C(C)CNC(=O)C(=O)NCC 527a_100000765925_200011297158 [0,2,0,0,0,0|1,0,1]=4 3174 B11R0.59 C=C(C)CNC(=O)C(=O)OCC 11a_100000765925_100014798877 [0,2,0,0,0,0|1,0,1]=4 3175 B11R0.59 C=C(C)CNC(=O)C(=O)OCC 1626a_100000765925_100014798877 [0,2,0,0,0,0|1,0,1]=4 3176 B11R0.59 C=C(C)CNC(=O)C(=O)OCC 240690a_100000765925_100014798877 [0,2,0,0,0,0|1,0,1]=4 3177 B11R0.59 C=C(CNC(C)C)C(=O)OCC 34a_100138425928_100000755967 [0,2,0,0,0,0|2,0,0]=4 3178 B11R0.59 C=C(COC(C)C)C(=O)OCC 34a_100000212225_100000755967 [0,2,0,0,0,0|2,0,0]=4 3179 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000210206_100000755967 [0,2,0,0,0,0|2,0,0]=4 3180 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000755967_100000210206 [0,2,0,0,0,0|2,0,0]=4 3181 B11R0.59 C=CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210623 [0,2,0,0,0,0|0,0,2]=4 3182 B11R0.59 CC(C)CNC(=O)C(=O)CC#N 1458a_200011297155_100011214920 [0,2,0,0,0,0|1,0,1]=4 3183 B11R0.59 CC(C)CNC(=O)C(=O)CCF 1458a_200011297155_100011217306 [0,2,0,0,0,0|1,0,0]=3 3184 B11R0.59 CC(C)CNC(=O)C(=O)CCO 1458a_200011297155_100000211926 [0,2,0,0,0,0|1,0,0]=3 3185 B11R0.59 CC/C=C(\C)/C(=O)CCC(C)C 1458a_100016988807_100000210312 [0,2,0,0,0,0|1,0,1]=4 3186 B11R0.59 CC/C=C(\C)/C(=O)CCC(C)O 1458a_100016988807_100012276601 [0,2,0,0,0,0|1,0,1]=4 3187 B11R0.59 CC/C=C(\C)/C(=O)NCC(C)C 11a_100000210953_100016988807 [0,2,0,0,0,0|1,0,1]=4 3188 B11R0.59 CC/C=C(\C)/C(=O)NCC(C)C 1626a_100000210953_100016988807 [0,2,0,0,0,0|1,0,1]=4 3189 B11R0.59 CC/C=C(\C)/C(=O)NCC(C)C 240690a_100000210953_100016988807 [0,2,0,0,0,0|1,0,1]=4 3190 B11R0.59 CC/C=C(\C)/C(=O)NCC(C)C 527a_100000210953_100016988807 [0,2,0,0,0,0|1,0,1]=4 3191 B11R0.59 CC/C=C(\C)/C(=O)NCC(C)O 11a_100000210904_100016988807 [0,2,0,0,0,0|1,0,1]=4 3192 B11R0.59 CC/C=C(\C)/C(=O)NCC(C)O 240690a_100000210904_100016988807 [0,2,0,0,0,0|1,0,1]=4 3193 B11R0.59 CC/C=C(\C)/C(=O)NCC(C)O 527a_100000210904_100016988807 [0,2,0,0,0,0|1,0,1]=4 3194 B11R0.59 CCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210303 [0,2,0,0,0,0|0,0,0]=2 3195 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [0,2,0,0,0,0|1,0,1]=4 3196 B11R0.59 CCCC(=O)N(C)CCC(C)C 11a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 3197 B11R0.59 CCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 3198 B11R0.59 CCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 3199 B11R0.59 CCCC(=O)N(C)CCC(C)C 527a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 3200 B11R0.59 CCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000211992 [0,2,0,0,0,0|2,0,0]=4 3201 B11R0.59 CCCC(=O)N(C)CCN(C)C 527a_100000225618_100000211992 [0,2,0,0,0,0|2,0,0]=4 3202 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000181311_100000766640 [0,2,0,0,0,0|1,0,1]=4 3203 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000210906_100000210312 [0,2,0,0,0,0|1,0,1]=4 3204 B11R0.59 CCCC(C)C(=O)CCC(C)O 1458a_100000210906_100012276601 [0,2,0,0,0,0|1,0,1]=4 3205 B11R0.59 CCCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000766640 [0,2,0,0,0,0|1,0,1]=4 3206 B11R0.59 CCCC(C)C(=O)COC(C)C 1458a_100000745533_100000766640 [0,2,0,0,0,0|1,0,1]=4 3207 B11R0.59 CCCC(C)C(=O)CSC(C)C 1458a_100000241585_100000766640 [0,2,0,0,0,0|1,0,1]=4 3208 B11R0.59 CCCC(C)C(=O)NCC(C)C 11a_100000210953_100000210906 [0,2,0,0,0,0|1,0,1]=4 3209 B11R0.59 CCCC(C)C(=O)NCC(C)C 1626a_100000210953_100000210906 [0,2,0,0,0,0|1,0,1]=4 3210 B11R0.59 CCCC(C)C(=O)NCC(C)C 240690a_100000210953_100000210906 [0,2,0,0,0,0|1,0,1]=4 3211 B11R0.59 CCCC(C)C(=O)NCC(C)C 527a_100000210953_100000210906 [0,2,0,0,0,0|1,0,1]=4 3212 B11R0.59 CCCC(C)C(=O)NCC(C)O 11a_100000210904_100000210906 [0,2,0,0,0,0|1,0,1]=4 3213 B11R0.59 CCCC(C)C(=O)NCC(C)O 240690a_100000210904_100000210906 [0,2,0,0,0,0|1,0,1]=4 3214 B11R0.59 CCCC(C)C(=O)NCC(C)O 527a_100000210904_100000210906 [0,2,0,0,0,0|1,0,1]=4 3215 B11R0.59 CCCN(C)C(=O)CCC(C)C 11a_100000747261_100000181311 [0,2,0,0,0,0|2,0,0]=4 3216 B11R0.59 CCCN(C)C(=O)CCC(C)C 1626a_100000747261_100000181311 [0,2,0,0,0,0|2,0,0]=4 3217 B11R0.59 CCCN(C)C(=O)CCC(C)C 240690a_100000747261_100000181311 [0,2,0,0,0,0|2,0,0]=4 3218 B11R0.59 CCCN(C)C(=O)CCC(C)C 527a_100000747261_100000181311 [0,2,0,0,0,0|2,0,0]=4 3219 B11R0.59 CCCN(C)C(=O)CCC(C)O 1626a_100000747261_100000718519 [0,2,0,0,0,0|2,0,0]=4 3220 B11R0.59 CCCN(C)C(=O)CCN(C)C 11a_100000747261_100000689311 [0,2,0,0,0,0|2,0,0]=4 3221 B11R0.59 CCCN(C)C(=O)CCN(C)C 240690a_100000747261_100000689311 [0,2,0,0,0,0|2,0,0]=4 3222 B11R0.59 CCCN(C)C(=O)CCN(C)C 527a_100000747261_100000689311 [0,2,0,0,0,0|2,0,0]=4 3223 B11R0.59 CCCN(C)C(=O)CC[S+](C)C 11a_100000747261_100009452791 [0,2,0,0,0,0|2,0,0]=4 3224 B11R0.59 CCCN(C)C(=O)CC[S+](C)C 1626a_100000747261_100009452791 [0,2,0,0,0,0|2,0,0]=4 3225 B11R0.59 CCCN(C)C(=O)CC[S+](C)C 240690a_100000747261_100009452791 [0,2,0,0,0,0|2,0,0]=4 3226 B11R0.59 CCCN(C)C(=O)COC(C)C 11a_100000747261_100000745533 [0,2,0,0,0,0|2,0,0]=4 3227 B11R0.59 CCCN(C)C(=O)COC(C)C 1626a_100000747261_100000745533 [0,2,0,0,0,0|2,0,0]=4 3228 B11R0.59 CCCN(C)C(=O)COC(C)C 240690a_100000747261_100000745533 [0,2,0,0,0,0|2,0,0]=4 3229 B11R0.59 CCCN(C)C(=O)COC(C)C 527a_100000747261_100000745533 [0,2,0,0,0,0|2,0,0]=4 3230 B11R0.59 CCCN(C)C(=O)CSC(C)C 11a_100000747261_100000241585 [0,2,0,0,0,0|2,0,0]=4 3231 B11R0.59 CCCN(C)C(=O)CSC(C)C 1626a_100000747261_100000241585 [0,2,0,0,0,0|2,0,0]=4 3232 B11R0.59 CCCN(C)C(=O)CSC(C)C 240690a_100000747261_100000241585 [0,2,0,0,0,0|2,0,0]=4 3233 B11R0.59 CCCN(C)C(=O)CSC(C)C 527a_100000747261_100000241585 [0,2,0,0,0,0|2,0,0]=4 3234 B11R0.59 CCCN(C)C(=O)NCC(C)C 2708a_100000210953_100000747261 [0,2,0,0,0,0|2,0,0]=4 3235 B11R0.59 CCCN(C)C(=O)NCC(C)C 273464a_100000210953_100000747261 [0,2,0,0,0,0|2,0,0]=4 3236 B11R0.59 CCCN(C)C(=O)NCC(C)O 273464a_100000210904_100000747261 [0,2,0,0,0,0|2,0,0]=4 3237 B11R0.59 CCC[C@H](O)C(=O)CCC(C)C 1458a_100009822183_100000210312 [0,2,0,0,0,0|0,0,2]=4 3238 B11R0.59 CCC[C@H](O)C(=O)CCC(C)O 1458a_100009822183_100012276601 [0,2,0,0,0,0|0,0,2]=4 3239 B11R0.59 CCC[C@H](O)C(=O)NCC(C)C 240690a_100000210953_100009822183 [0,2,0,0,0,0|0,0,2]=4 3240 B11R0.59 CCC[C@H](O)C(=O)NCC(C)O 240690a_100000210904_100009822183 [0,2,0,0,0,0|0,0,2]=4 3241 B11R0.59 CCNC(=O)C(=O)CC=C(C)C 1458a_200011297158_100000761012 [0,2,0,0,0,0|1,0,1]=4 3242 B11R0.59 CCNC(=O)C(=O)CCC(C)C 1458a_200011297158_100000210312 [0,2,0,0,0,0|1,0,0]=3 3243 B11R0.59 CCNC(=O)C(=O)CCC(C)O 1458a_200011297158_100012276601 [0,2,0,0,0,0|1,0,0]=3 3244 B11R0.59 CCNC(=O)C(=O)NCC(C)C 1626a_100000210953_200011297158 [0,2,0,0,0,0|1,0,0]=3 3245 B11R0.59 CCNC(=O)C(=O)NCC(C)C 240690a_100000210953_200011297158 [0,2,0,0,0,0|1,0,0]=3 3246 B11R0.59 CCNC(=O)C(=O)NCC(C)C 240690a_100015525214_200011297155 [0,2,0,0,0,0|1,0,0]=3 3247 B11R0.59 CCNC(=O)C(=O)NCC(C)C 527a_100000210953_200011297158 [0,2,0,0,0,0|1,0,0]=3 3248 B11R0.59 CCNC(=O)C(=O)NCC(C)C 527a_100015525214_200011297155 [0,2,0,0,0,0|1,0,0]=3 3249 B11R0.59 CCNC(=O)C(=O)NCC(C)O 240690a_100000210904_200011297158 [0,2,0,0,0,0|1,0,0]=3 3250 B11R0.59 CCNC(=O)C(=O)NCC(C)O 527a_100000210904_200011297158 [0,2,0,0,0,0|1,0,0]=3 3251 B11R0.59 CCNC(=O)C(=O)NCC(F)F 1626a_100000765723_200011297158 [0,2,0,0,0,0|2,0,0]=4 3252 B11R0.59 CCNC(=O)C(=O)NCC(F)F 240690a_100000765723_200011297158 [0,2,0,0,0,0|2,0,0]=4 3253 B11R0.59 CCNC(=O)C(=O)NCC(F)F 527a_100000765723_200011297158 [0,2,0,0,0,0|2,0,0]=4 3254 B11R0.59 CCNC(=O)C(=O)NNC(C)C 22a_100000741168_200011297158 [0,2,0,0,0,0|2,0,0]=4 3255 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000210206_100000211299 [0,2,0,0,0,0|1,0,0]=3 3256 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000211299_100000210206 [0,2,0,0,0,0|1,0,0]=3 3257 B11R0.59 CCOC(=O)C(=O)NCC(C)C 11a_100000210953_100014798877 [0,2,0,0,0,0|1,0,0]=3 3258 B11R0.59 CCOC(=O)C(=O)NCC(C)C 1626a_100000210953_100014798877 [0,2,0,0,0,0|1,0,0]=3 3259 B11R0.59 CCOC(=O)C(=O)NCC(C)C 240690a_100000210953_100014798877 [0,2,0,0,0,0|1,0,0]=3 3260 B11R0.59 CCOC(=O)C(=O)NCC(C)O 11a_100000210904_100014798877 [0,2,0,0,0,0|1,0,0]=3 3261 B11R0.59 CCOC(=O)C(=O)NCC(C)O 240690a_100000210904_100014798877 [0,2,0,0,0,0|1,0,0]=3 3262 B11R0.59 CCOC(=O)C(=O)NCC(F)F 11a_100000765723_100014798877 [0,2,0,0,0,0|2,0,0]=4 3263 B11R0.59 CCOC(=O)C(=O)NCC(F)F 1626a_100000765723_100014798877 [0,2,0,0,0,0|2,0,0]=4 3264 B11R0.59 CCOC(=O)C(=O)NCC(F)F 240690a_100000765723_100014798877 [0,2,0,0,0,0|2,0,0]=4 3265 B11R0.59 CNNC(=O)C(=O)NCC(C)C 22a_100016993582_200011297155 [0,2,0,0,0,0|2,0,0]=4 3266 B11R0.68 C#CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000753159 [0,2,0,0,0,0|1,0,1]=4 3267 B11R0.68 C/C=C/CC(=O)C(=O)NC(C)C 1458a_100011220036_100102629194 [0,2,0,0,0,0|1,0,1]=4 3268 B11R0.68 C=C(C)CC(=O)/C(=C/CCC)/C 1458a_200020648666_100000748629 [0,2,0,0,0,0|1,0,1]=4 3269 B11R0.68 C=C(C)CC(=O)C(=O)NCCC 1458a_200011297150_100000748629 [0,2,0,0,0,0|0,0,1]=3 3270 B11R0.68 C=C(F)CC(=O)C(=O)NCCC 1458a_200011297150_100009893438 [0,2,0,0,0,0|0,0,2]=4 3271 B11R0.68 C=CCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000754431 [0,2,0,0,0,0|1,0,1]=4 3272 B11R0.68 CC#CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000748600 [0,2,0,0,0,0|1,0,1]=4 3273 B11R0.68 CC(C)CC(=O)N(C)CCCO 240690a_100000213112_100000210554 [0,2,0,0,0,0|2,0,0]=4 3274 B11R0.68 CC(C)CC(=O)N(C)CCCO 527a_100000213112_100000210554 [0,2,0,0,0,0|2,0,0]=4 3275 B11R0.68 CC(C)C[C@H](O)C(=O)CCCF 1458a_100012027011_100011934791 [0,2,0,0,0,0|0,0,2]=4 3276 B11R0.68 CC(C)C[C@H](O)C(=O)CCCO 1458a_100012027011_100011215043 [0,2,0,0,0,0|0,0,2]=4 3277 B11R0.68 CC(C)NC(=O)C(=O)CCC#N 1458a_100011220036_100011215226 [0,2,0,0,0,0|1,0,1]=4 3278 B11R0.68 CC(C)NC(=O)C(=O)CCCF 1458a_100011220036_100011934791 [0,2,0,0,0,0|1,0,0]=3 3279 B11R0.68 CC(C)NC(=O)C(=O)CCCO 1458a_100011220036_100011215043 [0,2,0,0,0,0|1,0,0]=3 3280 B11R0.68 CC(C)NC(=O)C(=O)NCCF 1626a_100000724931_100011220036 [0,2,0,0,0,0|2,0,0]=4 3281 B11R0.68 CC(C)NC(=O)C(=O)NCCF 240690a_100000724931_100011220036 [0,2,0,0,0,0|2,0,0]=4 3282 B11R0.68 CC(C)NC(=O)C(=O)NCCF 527a_100000724931_100011220036 [0,2,0,0,0,0|2,0,0]=4 3283 B11R0.68 CC(C)NC(=O)C(=O)NCCO 240690a_100000210304_100011220036 [0,2,0,0,0,0|2,0,0]=4 3284 B11R0.68 CC(C)NC(=O)C(=O)NCCO 527a_100000210304_100011220036 [0,2,0,0,0,0|2,0,0]=4 3285 B11R0.68 CC=CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000070051 [0,2,0,0,0,0|1,0,1]=4 3286 B11R0.68 CCC/C=C(\C)/C(=O)CC(C)C 1458a_200020648666_100000210624 [0,2,0,0,0,0|1,0,0]=3 3287 B11R0.68 CCC/C=C(\C)/C(=O)CC(C)O 1458a_200020648666_100011218427 [0,2,0,0,0,0|1,0,0]=3 3288 B11R0.68 CCC/C=C(\C)/C(=O)CC(F)F 1458a_200020648666_100011934356 [0,2,0,0,0,0|2,0,0]=4 3289 B11R0.68 CCC/C=C(\C)/C(=O)NC(C)C 11a_100138425928_200020648666 [0,2,0,0,0,0|2,0,0]=4 3290 B11R0.68 CCC/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_200020648666 [0,2,0,0,0,0|2,0,0]=4 3291 B11R0.68 CCC/C=C(\C)/C(=O)NC(C)C 240690a_100138425928_200020648666 [0,2,0,0,0,0|2,0,0]=4 3292 B11R0.68 CCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210211 [0,2,0,0,0,0|1,0,0]=3 3293 B11R0.68 CCCCC(=O)C(C)CC(C)C 1458a_100000210183_100000731052 [0,2,0,0,0,0|1,0,1]=4 3294 B11R0.68 CCCCC(=O)N(C)CC(C)C 11a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 3295 B11R0.68 CCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 3296 B11R0.68 CCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 3297 B11R0.68 CCCCC(=O)N(C)CC(C)C 527a_100000747067_100000210183 [0,2,0,0,0,0|2,0,0]=4 3298 B11R0.68 CCCCC(=O)N(C)CC(C)O 240690a_100000227577_100000210183 [0,2,0,0,0,0|2,0,0]=4 3299 B11R0.68 CCCCC(=O)N(C)CC(C)O 527a_100000227577_100000210183 [0,2,0,0,0,0|2,0,0]=4 3300 B11R0.68 CCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210211 [0,2,0,0,0,0|0,0,2]=4 3301 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011215066 [0,2,0,0,0,0|1,0,1]=4 3302 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000725509_100000210624 [0,2,0,0,0,0|1,0,1]=4 3303 B11R0.68 CCCCC(C)C(=O)CC(C)O 1458a_100000725509_100011218427 [0,2,0,0,0,0|1,0,1]=4 3304 B11R0.68 CCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011215066 [0,2,0,0,0,0|1,0,1]=4 3305 B11R0.68 CCCCC(O)C(=O)CC(C)C 1458a_100000720857_100000210624 [0,2,0,0,0,0|0,0,2]=4 3306 B11R0.68 CCCCC(O)C(=O)CC(C)O 1458a_100000720857_100011218427 [0,2,0,0,0,0|0,0,2]=4 3307 B11R0.68 CCCCN(C)C(=O)CC(C)C 11a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 3308 B11R0.68 CCCCN(C)C(=O)CC(C)C 1626a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 3309 B11R0.68 CCCCN(C)C(=O)CC(C)C 240690a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 3310 B11R0.68 CCCCN(C)C(=O)CC(C)C 527a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 3311 B11R0.68 CCCCN(C)C(=O)C[C@@H](C)O 240690a_100000207549_100011933948 [0,2,0,0,0,0|2,0,0]=4 3312 B11R0.68 CCCNC(=O)C(=O)CC(=O)N 1458a_200011297150_100000187820 [0,2,0,0,0,0|1,0,1]=4 3313 B11R0.68 CCCNC(=O)C(=O)CC(=O)[O-] 1458a_200011297150_100020667443 [0,2,0,0,0,0|1,0,1]=4 3314 B11R0.68 CCCNC(=O)C(=O)CC(C)C 1458a_200011297150_100000210624 [0,2,0,0,0,0|0,0,0]=2 3315 B11R0.68 CCCNC(=O)C(=O)CC(C)O 1458a_200011297150_100011218427 [0,2,0,0,0,0|0,0,0]=2 3316 B11R0.68 CCCNC(=O)C(=O)CC(F)F 1458a_200011297150_100011934356 [0,2,0,0,0,0|1,0,0]=3 3317 B11R0.68 CCCNC(=O)C(=O)C[N+](=O)[O-] 1458a_200011297150_100000761209 [0,2,0,0,0,0|2,0,0]=4 3318 B11R0.68 CCCNC(=O)C(=O)NC(C)C 1626a_100020643023_100011220036 [0,2,0,0,0,0|1,0,0]=3 3319 B11R0.68 CCCNC(=O)C(=O)NC(C)C 1626a_100138425928_200011297150 [0,2,0,0,0,0|1,0,0]=3 3320 B11R0.68 CCCNC(=O)C(=O)NC(C)C 240690a_100020643023_100011220036 [0,2,0,0,0,0|1,0,0]=3 3321 B11R0.68 CCCNC(=O)C(=O)NC(C)C 240690a_100138425928_200011297150 [0,2,0,0,0,0|1,0,0]=3 3322 B11R0.68 CCCNC(=O)C(=O)NC(C)C 527a_100020643023_100011220036 [0,2,0,0,0,0|1,0,0]=3 3323 B11R0.68 CCCNC(=O)C(=O)NC(C)C 527a_100138425928_200011297150 [0,2,0,0,0,0|1,0,0]=3 3324 B11R0.68 CCCNC(=O)N(C)CC(C)C 2708a_100020643023_100000747067 [0,2,0,0,0,0|2,0,0]=4 3325 B11R0.68 CCCNC(=O)N(C)CC(C)C 273464a_100020643023_100000747067 [0,2,0,0,0,0|2,0,0]=4 3326 B11R0.68 CCCNC(=O)N(C)CC(C)O 2708a_100020643023_100000227577 [0,2,0,0,0,0|2,0,0]=4 3327 B11R0.68 CCCNC(=O)[C@@H](O)CC(C)C 1626a_100020643023_100012027011 [0,2,0,0,0,0|0,0,2]=4 3328 B11R0.68 CCCNC(=O)[C@@H](O)CC(C)C 240690a_100020643023_100012027011 [0,2,0,0,0,0|0,0,2]=4 3329 B11R0.68 CCNNC(=O)C(=O)NC(C)C 22a_100000756455_100011220036 [0,2,0,0,0,0|2,0,0]=4 3330 B11R0.68 CCOCC(=O)C(C)CC(C)C 1458a_100000211967_100000731052 [0,2,0,0,0,0|1,0,1]=4 3331 B11R0.68 CCOCC(=O)N(C)CC(C)C 11a_100000747067_100000211967 [0,2,0,0,0,0|2,0,0]=4 3332 B11R0.68 CCOCC(=O)N(C)CC(C)C 1626a_100000747067_100000211967 [0,2,0,0,0,0|2,0,0]=4 3333 B11R0.68 CCOCC(=O)N(C)CC(C)C 240690a_100000747067_100000211967 [0,2,0,0,0,0|2,0,0]=4 3334 B11R0.68 CCOCC(=O)N(C)CC(C)C 527a_100000747067_100000211967 [0,2,0,0,0,0|2,0,0]=4 3335 B11R0.68 CCOCC(=O)N(C)CC(C)O 240690a_100000227577_100000211967 [0,2,0,0,0,0|2,0,0]=4 3336 B11R0.68 CCOCC(=O)N(C)CC(C)O 527a_100000227577_100000211967 [0,2,0,0,0,0|2,0,0]=4 3337 B11R0.68 CCSCC(=O)C(C)CC(C)C 1458a_100000230394_100000731052 [0,2,0,0,0,0|1,0,1]=4 3338 B11R0.68 CCSCC(=O)N(C)CC(C)C 11a_100000747067_100000230394 [0,2,0,0,0,0|2,0,0]=4 3339 B11R0.68 CCSCC(=O)N(C)CC(C)C 1626a_100000747067_100000230394 [0,2,0,0,0,0|2,0,0]=4 3340 B11R0.68 CCSCC(=O)N(C)CC(C)C 240690a_100000747067_100000230394 [0,2,0,0,0,0|2,0,0]=4 3341 B11R0.68 CCSCC(=O)N(C)CC(C)C 527a_100000747067_100000230394 [0,2,0,0,0,0|2,0,0]=4 3342 B11R0.68 CCSCC(=O)N(C)CC(C)O 240690a_100000227577_100000230394 [0,2,0,0,0,0|2,0,0]=4 3343 B11R0.68 CCSCC(=O)N(C)CC(C)O 527a_100000227577_100000230394 [0,2,0,0,0,0|2,0,0]=4 3344 B11R0.68 COCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000233755 [0,2,0,0,0,0|1,0,0]=3 3345 B11R0.68 COCCC(=O)C(C)CC(C)C 1458a_100000749529_100000731052 [0,2,0,0,0,0|1,0,1]=4 3346 B11R0.68 COCCC(=O)N(C)CC(C)C 11a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 3347 B11R0.68 COCCC(=O)N(C)CC(C)C 1626a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 3348 B11R0.68 COCCC(=O)N(C)CC(C)C 240690a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 3349 B11R0.68 COCCC(=O)N(C)CC(C)C 527a_100000747067_100000749529 [0,2,0,0,0,0|2,0,0]=4 3350 B11R0.68 COCCC(=O)N(C)CC(C)O 240690a_100000227577_100000749529 [0,2,0,0,0,0|2,0,0]=4 3351 B11R0.68 COCCC(=O)N(C)CC(C)O 527a_100000227577_100000749529 [0,2,0,0,0,0|2,0,0]=4 3352 B11R0.68 COCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000233755 [0,2,0,0,0,0|0,0,2]=4 3353 B11R0.68 COCCN(C)C(=O)CC(C)C 11a_100000743101_100000210554 [0,2,0,0,0,0|2,0,0]=4 3354 B11R0.68 COCCN(C)C(=O)CC(C)C 1626a_100000743101_100000210554 [0,2,0,0,0,0|2,0,0]=4 3355 B11R0.68 COCCN(C)C(=O)CC(C)C 240690a_100000743101_100000210554 [0,2,0,0,0,0|2,0,0]=4 3356 B11R0.68 COCCN(C)C(=O)CC(C)C 527a_100000743101_100000210554 [0,2,0,0,0,0|2,0,0]=4 3357 B11R0.68 COCCN(C)C(=O)C[C@@H](C)O 240690a_100000743101_100011933948 [0,2,0,0,0,0|2,0,0]=4 3358 B11R0.68 CSCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000751147 [0,2,0,0,0,0|1,0,0]=3 3359 B11R0.68 CSCCC(=O)C(C)CC(C)C 1458a_100000174002_100000731052 [0,2,0,0,0,0|1,0,1]=4 3360 B11R0.68 CSCCC(=O)N(C)CC(C)C 11a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 3361 B11R0.68 CSCCC(=O)N(C)CC(C)C 1626a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 3362 B11R0.68 CSCCC(=O)N(C)CC(C)C 240690a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 3363 B11R0.68 CSCCC(=O)N(C)CC(C)C 527a_100000747067_100000174002 [0,2,0,0,0,0|2,0,0]=4 3364 B11R0.68 CSCCC(=O)N(C)CC(C)O 240690a_100000227577_100000174002 [0,2,0,0,0,0|2,0,0]=4 3365 B11R0.68 CSCCC(=O)N(C)CC(C)O 527a_100000227577_100000174002 [0,2,0,0,0,0|2,0,0]=4 3366 B11R0.68 CSCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000751147 [0,2,0,0,0,0|0,0,2]=4 3367 B11R0.68 CSCCC(O)C(=O)CC(C)C 1458a_100000685904_100000210624 [0,2,0,0,0,0|0,0,2]=4 3368 B11R0.68 CSCCC(O)C(=O)CC(C)O 1458a_100000685904_100011218427 [0,2,0,0,0,0|0,0,2]=4 3369 B11R0.68 CSCCN(C)C(=O)CC(C)C 11a_100000686725_100000210554 [0,2,0,0,0,0|2,0,0]=4 3370 B11R0.68 CSCCN(C)C(=O)CC(C)C 1626a_100000686725_100000210554 [0,2,0,0,0,0|2,0,0]=4 3371 B11R0.68 CSCCN(C)C(=O)CC(C)C 240690a_100000686725_100000210554 [0,2,0,0,0,0|2,0,0]=4 3372 B11R0.68 CSCCN(C)C(=O)CC(C)C 527a_100000686725_100000210554 [0,2,0,0,0,0|2,0,0]=4 3373 B11R0.68 CSCCN(C)C(=O)C[C@@H](C)O 240690a_100000686725_100011933948 [0,2,0,0,0,0|2,0,0]=4 3374 B11R0.68 C[C@@H](O)CC(=O)N(C)CCCO 240690a_100000213112_100011933948 [0,2,0,0,0,0|2,0,0]=4 3375 B11R0.69 CCCC(CC)C(=O)CCCF 1458a_100011416436_100011934791 [0,2,0,0,0,0|1,0,1]=4 3376 B11R0.69 CCCC(CC)C(=O)CCCO 1458a_100011416436_100011215043 [0,2,0,0,0,0|1,0,1]=4 3377 B11R0.69 CCCC(CC)C(=O)CCOC 1458a_100000749529_100011219200 [0,2,0,0,0,0|1,0,1]=4 3378 B11R0.69 CCCC(CC)C(=O)CCOC 1458a_100011416436_100000233755 [0,2,0,0,0,0|1,0,1]=4 3379 B11R0.69 CCCC(CC)C(=O)CCSC 1458a_100000174002_100011219200 [0,2,0,0,0,0|1,0,1]=4 3380 B11R0.69 CCCC(CC)C(=O)CCSC 1458a_100011416436_100000751147 [0,2,0,0,0,0|1,0,1]=4 3381 B11R0.69 CCCC(CC)C(=O)COCC 1458a_100000211967_100011219200 [0,2,0,0,0,0|1,0,1]=4 3382 B11R0.69 CCCC(CC)C(=O)CSCC 1458a_100000230394_100011219200 [0,2,0,0,0,0|1,0,1]=4 3383 B11R0.69 CCCCC(=O)C(CC)CCC 1458a_100000210183_100011219200 [0,2,0,0,0,0|1,0,1]=4 3384 B11R0.69 CCCCC(=O)C(CC)CCC 1458a_100011416436_100000210211 [0,2,0,0,0,0|1,0,1]=4 3385 B11R0.69 CCCCC(=O)N(CC)CCC 11a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 3386 B11R0.69 CCCCC(=O)N(CC)CCC 1626a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 3387 B11R0.69 CCCCC(=O)N(CC)CCC 240690a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 3388 B11R0.69 CCCCC(=O)N(CC)CCC 527a_100000226822_100000210183 [0,2,0,0,0,0|2,0,0]=4 3389 B11R0.69 CCCN(CC)C(=O)CCOC 11a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 3390 B11R0.69 CCCN(CC)C(=O)CCOC 1626a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 3391 B11R0.69 CCCN(CC)C(=O)CCOC 240690a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 3392 B11R0.69 CCCN(CC)C(=O)CCOC 527a_100000226822_100000749529 [0,2,0,0,0,0|2,0,0]=4 3393 B11R0.69 CCCN(CC)C(=O)CCSC 11a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 3394 B11R0.69 CCCN(CC)C(=O)CCSC 1626a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 3395 B11R0.69 CCCN(CC)C(=O)CCSC 240690a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 3396 B11R0.69 CCCN(CC)C(=O)CCSC 527a_100000226822_100000174002 [0,2,0,0,0,0|2,0,0]=4 3397 B11R0.69 CCCN(CC)C(=O)COCC 11a_100000226822_100000211967 [0,2,0,0,0,0|2,0,0]=4 3398 B11R0.69 CCCN(CC)C(=O)COCC 1626a_100000226822_100000211967 [0,2,0,0,0,0|2,0,0]=4 3399 B11R0.69 CCCN(CC)C(=O)COCC 240690a_100000226822_100000211967 [0,2,0,0,0,0|2,0,0]=4 3400 B11R0.69 CCCN(CC)C(=O)COCC 527a_100000226822_100000211967 [0,2,0,0,0,0|2,0,0]=4 3401 B11R0.69 CCCN(CC)C(=O)CSCC 11a_100000226822_100000230394 [0,2,0,0,0,0|2,0,0]=4 3402 B11R0.69 CCCN(CC)C(=O)CSCC 1626a_100000226822_100000230394 [0,2,0,0,0,0|2,0,0]=4 3403 B11R0.69 CCCN(CC)C(=O)CSCC 240690a_100000226822_100000230394 [0,2,0,0,0,0|2,0,0]=4 3404 B11R0.69 CCCN(CC)C(=O)CSCC 527a_100000226822_100000230394 [0,2,0,0,0,0|2,0,0]=4 3405 B11R0.69 CCCNC(=O)C(CC)CCC 11a_100020643023_100011416436 [0,2,0,0,0,0|1,0,1]=4 3406 B11R0.69 CCCNC(=O)C(CC)CCC 1626a_100020643023_100011416436 [0,2,0,0,0,0|1,0,1]=4 3407 B11R0.69 CCCNC(=O)C(CC)CCC 240690a_100020643023_100011416436 [0,2,0,0,0,0|1,0,1]=4 3408 B11R0.69 CCCNC(=O)C(CC)CCC 527a_100020643023_100011416436 [0,2,0,0,0,0|1,0,1]=4 3409 B11R0.69 CCCNC(=O)N(CC)CCC 2708a_100020643023_100000226822 [0,2,0,0,0,0|2,0,0]=4 3410 B11R0.69 CCCNC(=O)N(CC)CCC 273464a_100020643023_100000226822 [0,2,0,0,0,0|2,0,0]=4 3411 B11R0.73 C#CC(C)C(=O)C(=O)NCCC 1458a_200011297150_200000035995 [0,2,0,0,0,0|0,0,2]=4 3412 B11R0.73 CCC(C)C(=O)C(O)CCSC 1458a_100000685904_100000758301 [0,2,0,0,0,0|0,0,2]=4 3413 B11R0.73 CCC(C)C(=O)N(C)CCCO 240690a_100000213112_100011192722 [0,2,0,0,0,0|2,0,0]=4 3414 B11R0.73 CCC(C)C(=O)N(C)CCCO 527a_100000213112_100011192722 [0,2,0,0,0,0|2,0,0]=4 3415 B11R0.73 CCC(C)C(=O)N(C)CCOC 11a_100000743101_100011192722 [0,2,0,0,0,0|2,0,0]=4 3416 B11R0.73 CCC(C)C(=O)N(C)CCOC 1626a_100000743101_100011192722 [0,2,0,0,0,0|2,0,0]=4 3417 B11R0.73 CCC(C)C(=O)N(C)CCOC 240690a_100000743101_100011192722 [0,2,0,0,0,0|2,0,0]=4 3418 B11R0.73 CCC(C)C(=O)N(C)CCOC 527a_100000743101_100011192722 [0,2,0,0,0,0|2,0,0]=4 3419 B11R0.73 CCC(C)C(=O)N(C)CCSC 11a_100000686725_100011192722 [0,2,0,0,0,0|2,0,0]=4 3420 B11R0.73 CCC(C)C(=O)N(C)CCSC 1626a_100000686725_100011192722 [0,2,0,0,0,0|2,0,0]=4 3421 B11R0.73 CCC(C)C(=O)N(C)CCSC 240690a_100000686725_100011192722 [0,2,0,0,0,0|2,0,0]=4 3422 B11R0.73 CCC(C)C(=O)N(C)CCSC 527a_100000686725_100011192722 [0,2,0,0,0,0|2,0,0]=4 3423 B11R0.73 CCC(C)N(C)C(=O)CCOC 11a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 3424 B11R0.73 CCC(C)N(C)C(=O)CCOC 1626a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 3425 B11R0.73 CCC(C)N(C)C(=O)CCOC 240690a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 3426 B11R0.73 CCC(C)N(C)C(=O)CCOC 527a_100000741768_100000749529 [0,2,0,0,0,0|2,0,0]=4 3427 B11R0.73 CCC(C)N(C)C(=O)CCSC 11a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 3428 B11R0.73 CCC(C)N(C)C(=O)CCSC 1626a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 3429 B11R0.73 CCC(C)N(C)C(=O)CCSC 240690a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 3430 B11R0.73 CCC(C)N(C)C(=O)CCSC 527a_100000741768_100000174002 [0,2,0,0,0,0|2,0,0]=4 3431 B11R0.73 CCC(O)C(=O)N(C)CCCO 240690a_100000213112_100011196387 [0,2,0,0,0,0|2,0,0]=4 3432 B11R0.73 CCC(O)C(=O)N(C)CCOC 240690a_100000743101_100011196387 [0,2,0,0,0,0|2,0,0]=4 3433 B11R0.73 CCC(O)C(=O)N(C)CCSC 240690a_100000686725_100011196387 [0,2,0,0,0,0|2,0,0]=4 3434 B11R0.73 CCC/C=C(\C)/C(=O)C(C)CC 1458a_200020648666_100000758301 [0,2,0,0,0,0|1,0,0]=3 3435 B11R0.73 CCC/C=C(\C)/C(=O)N(C)CC 11a_100000225621_200020648666 [0,2,0,0,0,0|2,0,0]=4 3436 B11R0.73 CCC/C=C(\C)/C(=O)N(C)CC 1626a_100000225621_200020648666 [0,2,0,0,0,0|2,0,0]=4 3437 B11R0.73 CCC/C=C(\C)/C(=O)N(C)CC 240690a_100000225621_200020648666 [0,2,0,0,0,0|2,0,0]=4 3438 B11R0.73 CCCCC(=O)N(C)C(C)CC 11a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 3439 B11R0.73 CCCCC(=O)N(C)C(C)CC 1626a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 3440 B11R0.73 CCCCC(=O)N(C)C(C)CC 240690a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 3441 B11R0.73 CCCCC(=O)N(C)C(C)CC 527a_100000741768_100000210183 [0,2,0,0,0,0|2,0,0]=4 3442 B11R0.73 CCCCC(C)C(=O)C(C)CC 1458a_100000725509_100000758301 [0,2,0,0,0,0|1,0,1]=4 3443 B11R0.73 CCCCC(C)C(=O)C(C)CC 1458a_100011192722_200011215066 [0,2,0,0,0,0|1,0,1]=4 3444 B11R0.73 CCCCC(C)C(=O)C(O)CC 1458a_100011196387_200011215066 [0,2,0,0,0,0|1,0,1]=4 3445 B11R0.73 CCCCC(O)C(=O)C(C)CC 1458a_100000720857_100000758301 [0,2,0,0,0,0|0,0,2]=4 3446 B11R0.73 CCCCN(C)C(=O)C(C)CC 11a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 3447 B11R0.73 CCCCN(C)C(=O)C(C)CC 1626a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 3448 B11R0.73 CCCCN(C)C(=O)C(C)CC 240690a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 3449 B11R0.73 CCCCN(C)C(=O)C(C)CC 527a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 3450 B11R0.73 CCCCN(C)C(=O)C(O)CC 240690a_100000207549_100011196387 [0,2,0,0,0,0|2,0,0]=4 3451 B11R0.73 CCCNC(=O)C(=O)C(C)C#N 1458a_200011297150_100000703298 [0,2,0,0,0,0|1,0,1]=4 3452 B11R0.73 CCCNC(=O)C(=O)C(C)CC 1458a_200011297150_100000758301 [0,2,0,0,0,0|0,0,0]=2 3453 B11R0.73 CCCNC(=O)C(=O)N(C)CC 1626a_100000225621_200011297150 [0,2,0,0,0,0|1,0,0]=3 3454 B11R0.73 CCCNC(=O)C(=O)N(C)CC 240690a_100000225621_200011297150 [0,2,0,0,0,0|1,0,0]=3 3455 B11R0.73 CCCNC(=O)C(=O)N(C)CC 527a_100000225621_200011297150 [0,2,0,0,0,0|1,0,0]=3 3456 B11R0.73 CCCNC(=O)N(C)C(C)CC 2708a_100020643023_100000741768 [0,2,0,0,0,0|2,0,0]=4 3457 B11R0.73 CCCNC(=O)N(C)C(C)CC 273464a_100020643023_100000741768 [0,2,0,0,0,0|2,0,0]=4 3458 B11R0.73 CCOCC(=O)N(C)C(C)CC 11a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 3459 B11R0.73 CCOCC(=O)N(C)C(C)CC 1626a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 3460 B11R0.73 CCOCC(=O)N(C)C(C)CC 240690a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 3461 B11R0.73 CCOCC(=O)N(C)C(C)CC 527a_100000741768_100000211967 [0,2,0,0,0,0|2,0,0]=4 3462 B11R0.73 CCSCC(=O)N(C)C(C)CC 11a_100000741768_100000230394 [0,2,0,0,0,0|2,0,0]=4 3463 B11R0.73 CCSCC(=O)N(C)C(C)CC 1626a_100000741768_100000230394 [0,2,0,0,0,0|2,0,0]=4 3464 B11R0.73 CCSCC(=O)N(C)C(C)CC 240690a_100000741768_100000230394 [0,2,0,0,0,0|2,0,0]=4 3465 B11R0.73 CCSCC(=O)N(C)C(C)CC 527a_100000741768_100000230394 [0,2,0,0,0,0|2,0,0]=4 3466 B11R0.155 C#CCCCC(=O)/C(=C/CC)/C 1458a_100016988807_100000731252 [0,2,0,0,0,0|1,0,1]=4 3467 B11R0.155 C#CCCCC(=O)C(=O)NCC 1458a_200011297158_100000731252 [0,2,0,0,0,0|1,0,0]=3 3468 B11R0.155 C#CCCCC(=O)C(C)CCC 1458a_100000210906_100000731252 [0,2,0,0,0,0|1,0,1]=4 3469 B11R0.155 C#CCCCC(=O)C(C)CCC 1458a_100000690238_100000766640 [0,2,0,0,0,0|1,0,1]=4 3470 B11R0.155 C#CCCCC(=O)N(C)CCC 11a_100000747261_100000690238 [0,2,0,0,0,0|2,0,0]=4 3471 B11R0.155 C#CCCCC(=O)N(C)CCC 1626a_100000747261_100000690238 [0,2,0,0,0,0|2,0,0]=4 3472 B11R0.155 C#CCCCC(=O)N(C)CCC 240690a_100000747261_100000690238 [0,2,0,0,0,0|2,0,0]=4 3473 B11R0.155 C#CCCCC(=O)N(C)CCC 527a_100000747261_100000690238 [0,2,0,0,0,0|2,0,0]=4 3474 B11R0.155 C#CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000731252 [0,2,0,0,0,0|0,0,2]=4 3475 B11R0.155 C#CCCNC(=O)C(=O)NCC 1626a_100000755551_200011297158 [0,2,0,0,0,0|1,0,1]=4 3476 B11R0.155 C#CCCNC(=O)C(=O)NCC 240690a_100000755551_200011297158 [0,2,0,0,0,0|1,0,1]=4 3477 B11R0.155 C#CCCNC(=O)C(=O)NCC 527a_100000755551_200011297158 [0,2,0,0,0,0|1,0,1]=4 3478 B11R0.155 C#CCCNC(=O)C(=O)OCC 11a_100000755551_100014798877 [0,2,0,0,0,0|1,0,1]=4 3479 B11R0.155 C#CCCNC(=O)C(=O)OCC 1626a_100000755551_100014798877 [0,2,0,0,0,0|1,0,1]=4 3480 B11R0.155 C#CCCNC(=O)C(=O)OCC 240690a_100000755551_100014798877 [0,2,0,0,0,0|1,0,1]=4 3481 B11R0.155 C#CCSCC(=O)C(=O)OCC 62a_100000038162_100000211299 [0,2,0,0,0,0|1,0,1]=4 3482 B11R0.155 C=C(CNCCF)C(=O)OCC 34a_100000724931_100000755967 [0,2,0,0,0,0|2,0,0]=4 3483 B11R0.155 C=C(CNCCO)C(=O)OCC 34a_100016990907_100000755967 [0,2,0,0,0,0|2,0,0]=4 3484 B11R0.155 C=C(COCCBr)C(=O)OCC 34a_100000211926_100000755967 [0,2,0,0,0,0|2,0,0]=4 3485 B11R0.155 C=C(COCCC)C(=O)OCC 34a_100000210258_100000755967 [0,2,0,0,0,0|2,0,0]=4 3486 B11R0.155 C=C(COCCN)C(=O)OCC 34a_100000210304_100000755967 [0,2,0,0,0,0|2,0,0]=4 3487 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000210303_100000755967 [0,2,0,0,0,0|2,0,0]=4 3488 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000755967_100000210303 [0,2,0,0,0,0|2,0,0]=4 3489 B11R0.155 C=C(CSCCF)C(=O)OCC 62a_100000755967_100011217306 [0,2,0,0,0,0|2,0,0]=4 3490 B11R0.155 C=C(CSCCF)C(=O)OCC 62a_100011217306_100000755967 [0,2,0,0,0,0|2,0,0]=4 3491 B11R0.155 C=C(CSCCO)C(=O)OCC 62a_100000211926_100000755967 [0,2,0,0,0,0|2,0,0]=4 3492 B11R0.155 C=C(CSCCO)C(=O)OCC 62a_100000755967_100000211926 [0,2,0,0,0,0|2,0,0]=4 3493 B11R0.155 C=C(CSCOC)C(=O)OCC 62a_100000755967_100000766300 [0,2,0,0,0,0|2,0,0]=4 3494 B11R0.155 C=C(CSCOC)C(=O)OCC 62a_100000766300_100000755967 [0,2,0,0,0,0|2,0,0]=4 3495 B11R0.155 C=C(CSCSC)C(=O)OCC 62a_100000755967_100011218213 [0,2,0,0,0,0|2,0,0]=4 3496 B11R0.155 C=C(CSCSC)C(=O)OCC 62a_100011218213_100000755967 [0,2,0,0,0,0|2,0,0]=4 3497 B11R0.155 C=CCCCC(=O)/C(=C/CC)/C 1458a_100016988807_100000757094 [0,2,0,0,0,0|1,0,1]=4 3498 B11R0.155 C=CCCCC(=O)C(=O)NCC 1458a_200011297158_100000757094 [0,2,0,0,0,0|1,0,0]=3 3499 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000210906_100000757094 [0,2,0,0,0,0|1,0,1]=4 3500 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000766728_100000766640 [0,2,0,0,0,0|1,0,1]=4 3501 B11R0.155 C=CCCCC(=O)N(C)CCC 11a_100000747261_100000766728 [0,2,0,0,0,0|2,0,0]=4 3502 B11R0.155 C=CCCCC(=O)N(C)CCC 1626a_100000747261_100000766728 [0,2,0,0,0,0|2,0,0]=4 3503 B11R0.155 C=CCCCC(=O)N(C)CCC 240690a_100000747261_100000766728 [0,2,0,0,0,0|2,0,0]=4 3504 B11R0.155 C=CCCCC(=O)N(C)CCC 527a_100000747261_100000766728 [0,2,0,0,0,0|2,0,0]=4 3505 B11R0.155 C=CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000757094 [0,2,0,0,0,0|0,0,2]=4 3506 B11R0.155 C=CCCNC(=O)C(=O)NCC 1626a_100015191253_200011297158 [0,2,0,0,0,0|1,0,1]=4 3507 B11R0.155 C=CCCNC(=O)C(=O)NCC 240690a_100015191253_200011297158 [0,2,0,0,0,0|1,0,1]=4 3508 B11R0.155 C=CCCNC(=O)C(=O)NCC 527a_100015191253_200011297158 [0,2,0,0,0,0|1,0,1]=4 3509 B11R0.155 C=CCCNC(=O)C(=O)OCC 11a_100015191253_100014798877 [0,2,0,0,0,0|1,0,1]=4 3510 B11R0.155 C=CCCNC(=O)C(=O)OCC 1626a_100015191253_100014798877 [0,2,0,0,0,0|1,0,1]=4 3511 B11R0.155 C=CCCNC(=O)C(=O)OCC 240690a_100015191253_100014798877 [0,2,0,0,0,0|1,0,1]=4 3512 B11R0.155 C=CCSCC(=O)C(=O)OCC 62a_100000210623_100000211299 [0,2,0,0,0,0|1,0,1]=4 3513 B11R0.155 C=CCSCC(=O)C(=O)OCC 62a_100000211299_100000210623 [0,2,0,0,0,0|1,0,1]=4 3514 B11R0.155 C=COCCC(=O)C(=O)NCC 1458a_200011297158_100000039644 [0,2,0,0,0,0|1,0,1]=4 3515 B11R0.155 CC#CCNC(=O)C(=O)NCC 1626a_100000685387_200011297158 [0,2,0,0,0,0|1,0,1]=4 3516 B11R0.155 CC#CCNC(=O)C(=O)NCC 527a_100000685387_200011297158 [0,2,0,0,0,0|1,0,1]=4 3517 B11R0.155 CC#CCNC(=O)C(=O)OCC 11a_100000685387_100014798877 [0,2,0,0,0,0|1,0,1]=4 3518 B11R0.155 CC#CCNC(=O)C(=O)OCC 1626a_100000685387_100014798877 [0,2,0,0,0,0|1,0,1]=4 3519 B11R0.155 CC/C=C(\C)/C(=O)CCCC#N 1458a_100016988807_100000211468 [0,2,0,0,0,0|1,0,1]=4 3520 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [0,2,0,0,0,0|1,0,1]=4 3521 B11R0.155 CC/C=C(\C)/C(=O)CCCCF 1458a_100016988807_100000729493 [0,2,0,0,0,0|1,0,1]=4 3522 B11R0.155 CC/C=C(\C)/C(=O)CCCCO 1458a_100016988807_100000210776 [0,2,0,0,0,0|1,0,1]=4 3523 B11R0.155 CC/C=C(\C)/C(=O)CCCOC 1458a_100016988807_100000740836 [0,2,0,0,0,0|1,0,1]=4 3524 B11R0.155 CC/C=C(\C)/C(=O)CCOCC 1458a_100016988807_100011215890 [0,2,0,0,0,0|1,0,1]=4 3525 B11R0.155 CC/C=C(\C)/C(=O)CCSCC 1458a_100016988807_100000757381 [0,2,0,0,0,0|1,0,1]=4 3526 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 11a_100000102301_100016988807 [0,2,0,0,0,0|1,0,1]=4 3527 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100016988807 [0,2,0,0,0,0|1,0,1]=4 3528 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 240690a_100000102301_100016988807 [0,2,0,0,0,0|1,0,1]=4 3529 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 527a_100000102301_100016988807 [0,2,0,0,0,0|1,0,1]=4 3530 B11R0.155 CC/C=C(\C)/C(=O)NCCCF 11a_100015189416_100016988807 [0,2,0,0,0,0|1,0,1]=4 3531 B11R0.155 CC/C=C(\C)/C(=O)NCCCF 1626a_100015189416_100016988807 [0,2,0,0,0,0|1,0,1]=4 3532 B11R0.155 CC/C=C(\C)/C(=O)NCCCF 240690a_100015189416_100016988807 [0,2,0,0,0,0|1,0,1]=4 3533 B11R0.155 CC/C=C(\C)/C(=O)NCCCF 527a_100015189416_100016988807 [0,2,0,0,0,0|1,0,1]=4 3534 B11R0.155 CC/C=C(\C)/C(=O)NCCCO 240690a_100000182051_100016988807 [0,2,0,0,0,0|1,0,1]=4 3535 B11R0.155 CC/C=C(\C)/C(=O)NCCCO 527a_100000182051_100016988807 [0,2,0,0,0,0|1,0,1]=4 3536 B11R0.155 CC/C=C(\C)/C(=O)NCCOC 1626a_100000209980_100016988807 [0,2,0,0,0,0|1,0,1]=4 3537 B11R0.155 CC/C=C(\C)/C(=O)NCCOC 240690a_100000209980_100016988807 [0,2,0,0,0,0|1,0,1]=4 3538 B11R0.155 CC/C=C(\C)/C(=O)NCCOC 527a_100000209980_100016988807 [0,2,0,0,0,0|1,0,1]=4 3539 B11R0.155 CC/C=C(\C)/C(=O)NCCSC 11a_100020590264_100016988807 [0,2,0,0,0,0|1,0,1]=4 3540 B11R0.155 CC/C=C(\C)/C(=O)NCCSC 1626a_100020590264_100016988807 [0,2,0,0,0,0|1,0,1]=4 3541 B11R0.155 CC/C=C(\C)/C(=O)NCCSC 240690a_100020590264_100016988807 [0,2,0,0,0,0|1,0,1]=4 3542 B11R0.155 CC/C=C(\C)/C(=O)NCCSC 527a_100020590264_100016988807 [0,2,0,0,0,0|1,0,1]=4 3543 B11R0.155 CC/C=C(\C)/C(=O)NNCCC 22a_100000740057_100016988807 [0,2,0,0,0,0|1,0,1]=4 3544 B11R0.155 CC/C=C/CC(=O)C(C)CCC 1458a_100016274230_100000766640 [0,2,0,0,0,0|1,0,1]=4 3545 B11R0.155 CC/C=C/CC(=O)N(C)CCC 11a_100000747261_100016274230 [0,2,0,0,0,0|2,0,0]=4 3546 B11R0.155 CC/C=C/CC(=O)N(C)CCC 1626a_100000747261_100016274230 [0,2,0,0,0,0|2,0,0]=4 3547 B11R0.155 CC/C=C/CC(=O)N(C)CCC 240690a_100000747261_100016274230 [0,2,0,0,0,0|2,0,0]=4 3548 B11R0.155 CC/C=C/CC(=O)N(C)CCC 527a_100000747261_100016274230 [0,2,0,0,0,0|2,0,0]=4 3549 B11R0.155 CC/C=C\CC(=O)/C(=C/CC)/C 1458a_100016988807_100103147603 [0,2,0,0,0,0|1,0,1]=4 3550 B11R0.155 CC/C=C\CC(=O)C(=O)NCC 1458a_200011297158_100103147603 [0,2,0,0,0,0|1,0,0]=3 3551 B11R0.155 CC/C=C\CC(=O)C(C)CCC 1458a_100000210906_100103147603 [0,2,0,0,0,0|1,0,1]=4 3552 B11R0.155 CC/C=C\CC(=O)[C@@H](O)CCC 1458a_100009822183_100103147603 [0,2,0,0,0,0|0,0,2]=4 3553 B11R0.155 CCC#CCC(=O)/C(=C/CC)/C 1458a_100016988807_100009813939 [0,2,0,0,0,0|1,0,1]=4 3554 B11R0.155 CCC#CCC(=O)C(=O)NCC 1458a_200011297158_100009813939 [0,2,0,0,0,0|1,0,0]=3 3555 B11R0.155 CCC#CCC(=O)C(C)CCC 1458a_100000210906_100009813939 [0,2,0,0,0,0|1,0,1]=4 3556 B11R0.155 CCC#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100009813939 [0,2,0,0,0,0|0,0,2]=4 3557 B11R0.155 CCCC#CC(=O)C(C)CCC 1458a_200011218047_100000766640 [0,2,0,0,0,0|1,0,1]=4 3558 B11R0.155 CCCC#CC(=O)N(C)CCC 240690a_100000747261_200011218047 [0,2,0,0,0,0|2,0,0]=4 3559 B11R0.155 CCCC(=O)N(C)CCCCO 240690a_100000717598_100000211992 [0,2,0,0,0,0|2,0,0]=4 3560 B11R0.155 CCCC(=O)N(C)CCCOC 11a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 3561 B11R0.155 CCCC(=O)N(C)CCCOC 1626a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 3562 B11R0.155 CCCC(=O)N(C)CCCOC 240690a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 3563 B11R0.155 CCCC(=O)N(C)CCCOC 527a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 3564 B11R0.155 CCCC(C)C(=O)CCCC#N 1458a_100000075515_100000766640 [0,2,0,0,0,0|1,0,1]=4 3565 B11R0.155 CCCC(C)C(=O)CCCC#N 1458a_100000210906_100000211468 [0,2,0,0,0,0|1,0,1]=4 3566 B11R0.155 CCCC(C)C(=O)CCCCF 1458a_100000210906_100000729493 [0,2,0,0,0,0|1,0,1]=4 3567 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000210906_100000210776 [0,2,0,0,0,0|1,0,1]=4 3568 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000695505_100000766640 [0,2,0,0,0,0|1,0,1]=4 3569 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000210906_100000740836 [0,2,0,0,0,0|1,0,1]=4 3570 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000741012_100000766640 [0,2,0,0,0,0|1,0,1]=4 3571 B11R0.155 CCCC(C)C(=O)CCCSC 1458a_100000173376_100000766640 [0,2,0,0,0,0|1,0,1]=4 3572 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000210906_100011215890 [0,2,0,0,0,0|1,0,1]=4 3573 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000749530_100000766640 [0,2,0,0,0,0|1,0,1]=4 3574 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000210906_100000757381 [0,2,0,0,0,0|1,0,1]=4 3575 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000230768_100000766640 [0,2,0,0,0,0|1,0,1]=4 3576 B11R0.155 CCCC(C)C(=O)COCCO 1458a_100000708028_100000766640 [0,2,0,0,0,0|1,0,1]=4 3577 B11R0.155 CCCC(C)C(=O)NCCCF 11a_100015189416_100000210906 [0,2,0,0,0,0|1,0,1]=4 3578 B11R0.155 CCCC(C)C(=O)NCCCF 1626a_100015189416_100000210906 [0,2,0,0,0,0|1,0,1]=4 3579 B11R0.155 CCCC(C)C(=O)NCCCF 240690a_100015189416_100000210906 [0,2,0,0,0,0|1,0,1]=4 3580 B11R0.155 CCCC(C)C(=O)NCCCF 527a_100015189416_100000210906 [0,2,0,0,0,0|1,0,1]=4 3581 B11R0.155 CCCC(C)C(=O)NCCCO 240690a_100000182051_100000210906 [0,2,0,0,0,0|1,0,1]=4 3582 B11R0.155 CCCC(C)C(=O)NCCCO 527a_100000182051_100000210906 [0,2,0,0,0,0|1,0,1]=4 3583 B11R0.155 CCCC(C)C(=O)NCCOC 1626a_100000209980_100000210906 [0,2,0,0,0,0|1,0,1]=4 3584 B11R0.155 CCCC(C)C(=O)NCCOC 240690a_100000209980_100000210906 [0,2,0,0,0,0|1,0,1]=4 3585 B11R0.155 CCCC(C)C(=O)NCCOC 527a_100000209980_100000210906 [0,2,0,0,0,0|1,0,1]=4 3586 B11R0.155 CCCC(C)C(=O)NCCSC 11a_100020590264_100000210906 [0,2,0,0,0,0|1,0,1]=4 3587 B11R0.155 CCCC(C)C(=O)NCCSC 1626a_100020590264_100000210906 [0,2,0,0,0,0|1,0,1]=4 3588 B11R0.155 CCCC(C)C(=O)NCCSC 240690a_100020590264_100000210906 [0,2,0,0,0,0|1,0,1]=4 3589 B11R0.155 CCCC(C)C(=O)NCCSC 527a_100020590264_100000210906 [0,2,0,0,0,0|1,0,1]=4 3590 B11R0.155 CCCC=CC(=O)C(C)CCC 1458a_100000212230_100000766640 [0,2,0,0,0,0|1,0,1]=4 3591 B11R0.155 CCCC=CC(=O)N(C)CCC 11a_100000747261_100000212230 [0,2,0,0,0,0|2,0,0]=4 3592 B11R0.155 CCCC=CC(=O)N(C)CCC 1626a_100000747261_100000212230 [0,2,0,0,0,0|2,0,0]=4 3593 B11R0.155 CCCC=CC(=O)N(C)CCC 240690a_100000747261_100000212230 [0,2,0,0,0,0|2,0,0]=4 3594 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [0,2,0,0,0,0|1,0,0]=3 3595 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [0,2,0,0,0,0|1,0,1]=4 3596 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [0,2,0,0,0,0|1,0,1]=4 3597 B11R0.155 CCCCCC(=O)N(C)CCC 11a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 3598 B11R0.155 CCCCCC(=O)N(C)CCC 1626a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 3599 B11R0.155 CCCCCC(=O)N(C)CCC 240690a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 3600 B11R0.155 CCCCCC(=O)N(C)CCC 527a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 3601 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [0,2,0,0,0,0|0,0,2]=4 3602 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,2,0,0,0,0|1,0,1]=4 3603 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,2,0,0,0,0|1,0,1]=4 3604 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 3605 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 3606 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 3607 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 3608 B11R0.155 CCCCNC(=O)C(=O)NCC 1626a_100000102301_200011297158 [0,2,0,0,0,0|1,0,0]=3 3609 B11R0.155 CCCCNC(=O)C(=O)NCC 240690a_100000102301_200011297158 [0,2,0,0,0,0|1,0,0]=3 3610 B11R0.155 CCCCNC(=O)C(=O)NCC 527a_100000102301_200011297158 [0,2,0,0,0,0|1,0,0]=3 3611 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [0,2,0,0,0,0|1,0,0]=3 3612 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [0,2,0,0,0,0|1,0,0]=3 3613 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [0,2,0,0,0,0|1,0,0]=3 3614 B11R0.155 CCCCNC(=O)C(C)CCC 11a_100000102301_100000210906 [0,2,0,0,0,0|1,0,1]=4 3615 B11R0.155 CCCCNC(=O)C(C)CCC 1626a_100000102301_100000210906 [0,2,0,0,0,0|1,0,1]=4 3616 B11R0.155 CCCCNC(=O)C(C)CCC 240690a_100000102301_100000210906 [0,2,0,0,0,0|1,0,1]=4 3617 B11R0.155 CCCCNC(=O)C(C)CCC 527a_100000102301_100000210906 [0,2,0,0,0,0|1,0,1]=4 3618 B11R0.155 CCCCNC(=O)N(C)CCC 2708a_100000102301_100000747261 [0,2,0,0,0,0|2,0,0]=4 3619 B11R0.155 CCCCNC(=O)N(C)CCC 273464a_100000102301_100000747261 [0,2,0,0,0,0|2,0,0]=4 3620 B11R0.155 CCCCNC(=O)[C@@H](O)CCC 240690a_100000102301_100009822183 [0,2,0,0,0,0|0,0,2]=4 3621 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [0,2,0,0,0,0|1,0,1]=4 3622 B11R0.155 CCCN(C)C(=O)CCCC#N 11a_100000747261_100000075515 [0,2,0,0,0,0|2,0,0]=4 3623 B11R0.155 CCCN(C)C(=O)CCCC#N 1626a_100000747261_100000075515 [0,2,0,0,0,0|2,0,0]=4 3624 B11R0.155 CCCN(C)C(=O)CCCC#N 240690a_100000747261_100000075515 [0,2,0,0,0,0|2,0,0]=4 3625 B11R0.155 CCCN(C)C(=O)CCCC#N 527a_100000747261_100000075515 [0,2,0,0,0,0|2,0,0]=4 3626 B11R0.155 CCCN(C)C(=O)CCCCO 1626a_100000747261_100000695505 [0,2,0,0,0,0|2,0,0]=4 3627 B11R0.155 CCCN(C)C(=O)CCCOC 11a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 3628 B11R0.155 CCCN(C)C(=O)CCCOC 1626a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 3629 B11R0.155 CCCN(C)C(=O)CCCOC 240690a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 3630 B11R0.155 CCCN(C)C(=O)CCCOC 527a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 3631 B11R0.155 CCCN(C)C(=O)CCCSC 11a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 3632 B11R0.155 CCCN(C)C(=O)CCCSC 1626a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 3633 B11R0.155 CCCN(C)C(=O)CCCSC 240690a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 3634 B11R0.155 CCCN(C)C(=O)CCCSC 527a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 3635 B11R0.155 CCCN(C)C(=O)CCOCC 11a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 3636 B11R0.155 CCCN(C)C(=O)CCOCC 1626a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 3637 B11R0.155 CCCN(C)C(=O)CCOCC 240690a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 3638 B11R0.155 CCCN(C)C(=O)CCOCC 527a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 3639 B11R0.155 CCCN(C)C(=O)CCSCC 11a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 3640 B11R0.155 CCCN(C)C(=O)CCSCC 1626a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 3641 B11R0.155 CCCN(C)C(=O)CCSCC 240690a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 3642 B11R0.155 CCCN(C)C(=O)CCSCC 527a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 3643 B11R0.155 CCCN(C)C(=O)COCCO 1626a_100000747261_100000708028 [0,2,0,0,0,0|2,0,0]=4 3644 B11R0.155 CCCN(C)C(=O)COCCO 240690a_100000747261_100000708028 [0,2,0,0,0,0|2,0,0]=4 3645 B11R0.155 CCCN(C)C(=O)NCCCF 2708a_100015189416_100000747261 [0,2,0,0,0,0|2,0,0]=4 3646 B11R0.155 CCCN(C)C(=O)NCCCF 273464a_100015189416_100000747261 [0,2,0,0,0,0|2,0,0]=4 3647 B11R0.155 CCCN(C)C(=O)NCCCO 273464a_100000182051_100000747261 [0,2,0,0,0,0|2,0,0]=4 3648 B11R0.155 CCCN(C)C(=O)NCCOC 273464a_100000209980_100000747261 [0,2,0,0,0,0|2,0,0]=4 3649 B11R0.155 CCCN(C)C(=O)NCCSC 2708a_100020590264_100000747261 [0,2,0,0,0,0|2,0,0]=4 3650 B11R0.155 CCCN(C)C(=O)NCCSC 273464a_100020590264_100000747261 [0,2,0,0,0,0|2,0,0]=4 3651 B11R0.155 CCCNN=C(C)C(=O)OCC 4a_100000740057_100000209952 [0,2,0,0,0,0|2,0,0]=4 3652 B11R0.155 CCCNNC(=O)C(=O)NCC 22a_100000740057_200011297158 [0,2,0,0,0,0|1,0,0]=3 3653 B11R0.155 CCCNNC(=O)C(C)CCC 22a_100000740057_100000210906 [0,2,0,0,0,0|1,0,1]=4 3654 B11R0.155 CCCNNC(=O)[C@@H](O)CCC 22a_100000740057_100009822183 [0,2,0,0,0,0|0,0,2]=4 3655 B11R0.155 CCCOCC(=O)C(C)CCC 1458a_100000745993_100000766640 [0,2,0,0,0,0|1,0,1]=4 3656 B11R0.155 CCCOCC(=O)N(C)CCC 11a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 3657 B11R0.155 CCCOCC(=O)N(C)CCC 1626a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 3658 B11R0.155 CCCOCC(=O)N(C)CCC 240690a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 3659 B11R0.155 CCCOCC(=O)N(C)CCC 527a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 3660 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [0,2,0,0,0,0|1,0,0]=3 3661 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [0,2,0,0,0,0|1,0,0]=3 3662 B11R0.155 CCCSCC(=O)C(C)CCC 1458a_100000217233_100000766640 [0,2,0,0,0,0|1,0,1]=4 3663 B11R0.155 CCCSCC(=O)N(C)CCC 11a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 3664 B11R0.155 CCCSCC(=O)N(C)CCC 1626a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 3665 B11R0.155 CCCSCC(=O)N(C)CCC 240690a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 3666 B11R0.155 CCCSCC(=O)N(C)CCC 527a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 3667 B11R0.155 CCC[C@H](O)C(=O)CCCC#N 1458a_100009822183_100000211468 [0,2,0,0,0,0|0,0,2]=4 3668 B11R0.155 CCC[C@H](O)C(=O)CCCCF 1458a_100009822183_100000729493 [0,2,0,0,0,0|0,0,2]=4 3669 B11R0.155 CCC[C@H](O)C(=O)CCCCO 1458a_100009822183_100000210776 [0,2,0,0,0,0|0,0,2]=4 3670 B11R0.155 CCC[C@H](O)C(=O)CCCOC 1458a_100009822183_100000740836 [0,2,0,0,0,0|0,0,2]=4 3671 B11R0.155 CCC[C@H](O)C(=O)CCOCC 1458a_100009822183_100011215890 [0,2,0,0,0,0|0,0,2]=4 3672 B11R0.155 CCC[C@H](O)C(=O)CCSCC 1458a_100009822183_100000757381 [0,2,0,0,0,0|0,0,2]=4 3673 B11R0.155 CCC[C@H](O)C(=O)NCCCF 240690a_100015189416_100009822183 [0,2,0,0,0,0|0,0,2]=4 3674 B11R0.155 CCC[C@H](O)C(=O)NCCCO 240690a_100000182051_100009822183 [0,2,0,0,0,0|0,0,2]=4 3675 B11R0.155 CCC[C@H](O)C(=O)NCCOC 240690a_100000209980_100009822183 [0,2,0,0,0,0|0,0,2]=4 3676 B11R0.155 CCC[C@H](O)C(=O)NCCSC 240690a_100020590264_100009822183 [0,2,0,0,0,0|0,0,2]=4 3677 B11R0.155 CCNC(=O)C(=O)CC#CCO 1458a_200011297158_200000047223 [0,2,0,0,0,0|1,0,1]=4 3678 B11R0.155 CCNC(=O)C(=O)CCCC#N 1458a_200011297158_100000211468 [0,2,0,0,0,0|1,0,0]=3 3679 B11R0.155 CCNC(=O)C(=O)CCCCF 1458a_200011297158_100000729493 [0,2,0,0,0,0|1,0,0]=3 3680 B11R0.155 CCNC(=O)C(=O)CCCCO 1458a_200011297158_100000210776 [0,2,0,0,0,0|1,0,0]=3 3681 B11R0.155 CCNC(=O)C(=O)CCCOC 1458a_200011297158_100000740836 [0,2,0,0,0,0|1,0,0]=3 3682 B11R0.155 CCNC(=O)C(=O)CCOCC 1458a_200011297158_100011215890 [0,2,0,0,0,0|1,0,0]=3 3683 B11R0.155 CCNC(=O)C(=O)CCSCC 1458a_200011297158_100000757381 [0,2,0,0,0,0|1,0,0]=3 3684 B11R0.155 CCNC(=O)C(=O)NCCC#N 1626a_100000720768_200011297158 [0,2,0,0,0,0|1,0,1]=4 3685 B11R0.155 CCNC(=O)C(=O)NCCC#N 240690a_100000720768_200011297158 [0,2,0,0,0,0|1,0,1]=4 3686 B11R0.155 CCNC(=O)C(=O)NCCC#N 527a_100000720768_200011297158 [0,2,0,0,0,0|1,0,1]=4 3687 B11R0.155 CCNC(=O)C(=O)NCCCF 1626a_100015189416_200011297158 [0,2,0,0,0,0|1,0,0]=3 3688 B11R0.155 CCNC(=O)C(=O)NCCCF 240690a_100015189416_200011297158 [0,2,0,0,0,0|1,0,0]=3 3689 B11R0.155 CCNC(=O)C(=O)NCCCF 527a_100015189416_200011297158 [0,2,0,0,0,0|1,0,0]=3 3690 B11R0.155 CCNC(=O)C(=O)NCCCO 240690a_100000182051_200011297158 [0,2,0,0,0,0|1,0,0]=3 3691 B11R0.155 CCNC(=O)C(=O)NCCCO 527a_100000182051_200011297158 [0,2,0,0,0,0|1,0,0]=3 3692 B11R0.155 CCNC(=O)C(=O)NCCOC 1626a_100000209980_200011297158 [0,2,0,0,0,0|1,0,0]=3 3693 B11R0.155 CCNC(=O)C(=O)NCCOC 240690a_100000209980_200011297158 [0,2,0,0,0,0|1,0,0]=3 3694 B11R0.155 CCNC(=O)C(=O)NCCOC 527a_100000209980_200011297158 [0,2,0,0,0,0|1,0,0]=3 3695 B11R0.155 CCNC(=O)C(=O)NCCSC 1626a_100020590264_200011297158 [0,2,0,0,0,0|1,0,0]=3 3696 B11R0.155 CCNC(=O)C(=O)NCCSC 240690a_100020590264_200011297158 [0,2,0,0,0,0|1,0,0]=3 3697 B11R0.155 CCNC(=O)C(=O)NCCSC 527a_100020590264_200011297158 [0,2,0,0,0,0|1,0,0]=3 3698 B11R0.155 CCNC(=O)C(=O)NNCCO 22a_100000210001_200011297158 [0,2,0,0,0,0|2,0,0]=4 3699 B11R0.155 CCOC(=O)C(=O)CSCC#N 62a_100000211299_100011215382 [0,2,0,0,0,0|1,0,1]=4 3700 B11R0.155 CCOC(=O)C(=O)CSCC#N 62a_100011215382_100000211299 [0,2,0,0,0,0|1,0,1]=4 3701 B11R0.155 CCOC(=O)C(=O)CSCC=O 62a_100000211299_200015260668 [0,2,0,0,0,0|1,0,1]=4 3702 B11R0.155 CCOC(=O)C(=O)CSCC=O 62a_200015260668_100000211299 [0,2,0,0,0,0|1,0,1]=4 3703 B11R0.155 CCOC(=O)C(=O)CSCCF 62a_100000211299_100011217306 [0,2,0,0,0,0|1,0,0]=3 3704 B11R0.155 CCOC(=O)C(=O)CSCCF 62a_100011217306_100000211299 [0,2,0,0,0,0|1,0,0]=3 3705 B11R0.155 CCOC(=O)C(=O)CSCCO 62a_100000211299_100000211926 [0,2,0,0,0,0|1,0,0]=3 3706 B11R0.155 CCOC(=O)C(=O)CSCCO 62a_100000211926_100000211299 [0,2,0,0,0,0|1,0,0]=3 3707 B11R0.155 CCOC(=O)C(=O)CSCOC 62a_100000211299_100000766300 [0,2,0,0,0,0|1,0,0]=3 3708 B11R0.155 CCOC(=O)C(=O)CSCOC 62a_100000766300_100000211299 [0,2,0,0,0,0|1,0,0]=3 3709 B11R0.155 CCOC(=O)C(=O)CSCSC 62a_100000211299_100011218213 [0,2,0,0,0,0|1,0,0]=3 3710 B11R0.155 CCOC(=O)C(=O)CSCSC 62a_100011218213_100000211299 [0,2,0,0,0,0|1,0,0]=3 3711 B11R0.155 CCOC(=O)C(=O)NCCC#N 11a_100000720768_100014798877 [0,2,0,0,0,0|1,0,1]=4 3712 B11R0.155 CCOC(=O)C(=O)NCCC#N 1626a_100000720768_100014798877 [0,2,0,0,0,0|1,0,1]=4 3713 B11R0.155 CCOC(=O)C(=O)NCCC#N 240690a_100000720768_100014798877 [0,2,0,0,0,0|1,0,1]=4 3714 B11R0.155 CCOC(=O)C(=O)NCCCF 11a_100015189416_100014798877 [0,2,0,0,0,0|1,0,0]=3 3715 B11R0.155 CCOC(=O)C(=O)NCCCF 1626a_100015189416_100014798877 [0,2,0,0,0,0|1,0,0]=3 3716 B11R0.155 CCOC(=O)C(=O)NCCCF 240690a_100015189416_100014798877 [0,2,0,0,0,0|1,0,0]=3 3717 B11R0.155 CCOC(=O)C(=O)NCCCO 240690a_100000182051_100014798877 [0,2,0,0,0,0|1,0,0]=3 3718 B11R0.155 CCOC(=O)C(=O)NCCOC 1626a_100000209980_100014798877 [0,2,0,0,0,0|1,0,0]=3 3719 B11R0.155 CCOC(=O)C(=O)NCCOC 240690a_100000209980_100014798877 [0,2,0,0,0,0|1,0,0]=3 3720 B11R0.155 CCOC(=O)C(=O)NCCSC 11a_100020590264_100014798877 [0,2,0,0,0,0|1,0,0]=3 3721 B11R0.155 CCOC(=O)C(=O)NCCSC 1626a_100020590264_100014798877 [0,2,0,0,0,0|1,0,0]=3 3722 B11R0.155 CCOC(=O)C(=O)NCCSC 240690a_100020590264_100014798877 [0,2,0,0,0,0|1,0,0]=3 3723 B11R0.191 CCCC(=O)N(CC)CCOC 11a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 3724 B11R0.191 CCCC(=O)N(CC)CCOC 1626a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 3725 B11R0.191 CCCC(=O)N(CC)CCOC 240690a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 3726 B11R0.191 CCCC(=O)N(CC)CCOC 527a_100000731262_100000211992 [0,2,0,0,0,0|2,0,0]=4 3727 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211130_100000210303 [0,2,0,0,0,0|1,0,1]=4 3728 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211992_200011216223 [0,2,0,0,0,0|1,0,1]=4 3729 B11R0.191 CCCCN(CC)C(=O)CCC 11a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 3730 B11R0.191 CCCCN(CC)C(=O)CCC 1626a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 3731 B11R0.191 CCCCN(CC)C(=O)CCC 240690a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 3732 B11R0.191 CCCCN(CC)C(=O)CCC 527a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 3733 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000053139_100000210303 [0,2,0,0,0,0|1,0,1]=4 3734 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000210303_100000053139 [0,2,0,0,0,0|1,0,1]=4 3735 B11R0.247 CCCCC(C)(C)C(=O)CCC 1458a_100011216040_100000210303 [0,2,0,0,0,0|1,0,1]=4 3736 B11R0.247 CCCCC(C)(O)C(=O)CCC 1458a_100000137666_100000210303 [0,2,0,0,0,0|0,0,2]=4 3737 B11R0.247 CCCCC(F)(F)C(=O)CCC 1458a_100000100317_100000210303 [0,2,0,0,0,0|1,0,1]=4 3738 B11R0.56 CCCC(=O)/C(=C/C(C)C)/C#N 1458a_200042966509_100000210303 [0,2,0,0,0,0|1,0,1]=4 3739 B11R0.56 CCCC(=O)N(CC)CC(C)C 11a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 3740 B11R0.56 CCCC(=O)N(CC)CC(C)C 1626a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 3741 B11R0.56 CCCC(=O)N(CC)CC(C)C 240690a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 3742 B11R0.56 CCCC(=O)N(CC)CC(C)C 527a_100000738554_100000211992 [0,2,0,0,0,0|2,0,0]=4 3743 B11R0.56 CCCC(=O)N(CC)C[C@H](C)O 240690a_100000729506_100000211992 [0,2,0,0,0,0|2,0,0]=4 3744 B11R0.56 CCCC(=O)N(CC)C[C@H](C)O 527a_100000729506_100000211992 [0,2,0,0,0,0|2,0,0]=4 3745 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 11a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 3746 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 1626a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 3747 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 240690a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 3748 B11R0.58 CCCC(=O)N(C)C(C)C(C)C 527a_100000228512_100000211992 [0,2,0,0,0,0|2,0,0]=4 3749 B11R0.58 CCCC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000766640 [0,2,0,0,0,0|1,0,1]=4 3750 B11R0.58 CCCC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000766640 [0,2,0,0,0,0|1,0,1]=4 3751 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 11a_100000747261_100000755409 [0,2,0,0,0,0|2,0,0]=4 3752 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 1626a_100000747261_100000755409 [0,2,0,0,0,0|2,0,0]=4 3753 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 240690a_100000747261_100000755409 [0,2,0,0,0,0|2,0,0]=4 3754 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 527a_100000747261_100000755409 [0,2,0,0,0,0|2,0,0]=4 3755 B11R0.58 CCCN(C)C(=O)[C@H](O)C(C)C 240690a_100000747261_100000691806 [0,2,0,0,0,0|2,0,0]=4 3756 B11R0.58 CCNC(=O)C(=O)C(C)C(=O)C 1458a_200011297158_100000179758 [0,2,0,0,0,0|1,0,1]=4 3757 B11R0.58 CCNC(=O)C(=O)N(C)C(C)C 1626a_200000211004_200011297158 [0,2,0,0,0,0|2,0,0]=4 3758 B11R0.58 CCNC(=O)C(=O)N(C)C(C)C 240690a_200000211004_200011297158 [0,2,0,0,0,0|2,0,0]=4 3759 B11R0.58 CCNC(=O)C(=O)N(C)C(C)C 527a_200000211004_200011297158 [0,2,0,0,0,0|2,0,0]=4 3760 B11R0.58 CCOC(=O)C(=O)C(C)N(C)C 2230a_100102631434_100010256902 [0,2,0,0,0,0|2,0,0]=4 3761 B11R0.58 CCOC(=O)C(=O)C(C)N(C)C 269982a_100102631434_100010256902 [0,2,0,0,0,0|2,0,0]=4 3762 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 11a_200000211004_100014798877 [0,2,0,0,0,0|2,0,0]=4 3763 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 1626a_200000211004_100014798877 [0,2,0,0,0,0|2,0,0]=4 3764 B11R0.58 CCOC(=O)C(=O)N(C)C(C)C 240690a_200000211004_100014798877 [0,2,0,0,0,0|2,0,0]=4 3765 B11R0.63 CCC(C)C(=O)C(=O)NC(C)C 1458a_100011220036_100000758301 [0,2,0,0,0,0|1,0,0]=3 3766 B11R0.63 CCC(C)C(=O)C(C)CC(C)C 1458a_100011192722_100000731052 [0,2,0,0,0,0|1,0,1]=4 3767 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 11a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 3768 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 1626a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 3769 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 240690a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 3770 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 527a_100000747067_100011192722 [0,2,0,0,0,0|2,0,0]=4 3771 B11R0.63 CCC(C)C(=O)N(C)CC(C)O 240690a_100000227577_100011192722 [0,2,0,0,0,0|2,0,0]=4 3772 B11R0.63 CCC(C)C(=O)N(C)CC(C)O 527a_100000227577_100011192722 [0,2,0,0,0,0|2,0,0]=4 3773 B11R0.63 CCC(C)C(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000758301 [0,2,0,0,0,0|0,0,2]=4 3774 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 11a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 3775 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 1626a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 3776 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 240690a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 3777 B11R0.63 CCC(C)N(C)C(=O)CC(C)C 527a_100000741768_100000210554 [0,2,0,0,0,0|2,0,0]=4 3778 B11R0.63 CCC(C)N(C)C(=O)C[C@@H](C)O 240690a_100000741768_100011933948 [0,2,0,0,0,0|2,0,0]=4 3779 B11R0.63 CCC(O)C(=O)C(C)CC(C)C 1458a_100011196387_100000731052 [0,2,0,0,0,0|1,0,1]=4 3780 B11R0.63 CCC(O)C(=O)N(C)CC(C)C 240690a_100000747067_100011196387 [0,2,0,0,0,0|2,0,0]=4 3781 B11R0.63 CCC(O)C(=O)N(C)CC(C)O 240690a_100000227577_100011196387 [0,2,0,0,0,0|2,0,0]=4 3782 B11R0.63 CCN(C)C(=O)C(=O)NC(C)C 1626a_100000225621_100011220036 [0,2,0,0,0,0|2,0,0]=4 3783 B11R0.63 CCN(C)C(=O)C(=O)NC(C)C 240690a_100000225621_100011220036 [0,2,0,0,0,0|2,0,0]=4 3784 B11R0.63 CCN(C)C(=O)C(=O)NC(C)C 527a_100000225621_100011220036 [0,2,0,0,0,0|2,0,0]=4 3785 B11R0.99 CCCC(C)(C)C(=O)CC(C)C 1458a_100011215034_100000210624 [0,2,0,0,0,0|1,0,1]=4 3786 B11R0.99 CCCC(C)(C)C(=O)CC(C)O 1458a_100011215034_100011218427 [0,2,0,0,0,0|1,0,1]=4 3787 B11R0.133 CCCC(CC)C(=O)CC(C)C 1458a_100000210554_100011219200 [0,2,0,0,0,0|1,0,1]=4 3788 B11R0.133 CCCC(CC)C(=O)CC(C)C 1458a_100011416436_100000210624 [0,2,0,0,0,0|1,0,1]=4 3789 B11R0.133 CCCC(CC)C(=O)CC(C)O 1458a_100011416436_100011218427 [0,2,0,0,0,0|1,0,1]=4 3790 B11R0.133 CCCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_100011219200 [0,2,0,0,0,0|1,0,1]=4 3791 B11R0.133 CCCN(CC)C(=O)CC(C)C 11a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 3792 B11R0.133 CCCN(CC)C(=O)CC(C)C 1626a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 3793 B11R0.133 CCCN(CC)C(=O)CC(C)C 240690a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 3794 B11R0.133 CCCN(CC)C(=O)CC(C)C 527a_100000226822_100000210554 [0,2,0,0,0,0|2,0,0]=4 3795 B11R0.133 CCCN(CC)C(=O)C[C@@H](C)O 240690a_100000226822_100011933948 [0,2,0,0,0,0|2,0,0]=4 3796 B11R0.149 C=C(C)CC(=O)C(=O)NC(C)C 1458a_100011220036_100000748629 [0,2,0,0,0,0|1,0,1]=4 3797 B11R0.149 CC(C)CC(=O)C(=O)NC(C)C 1458a_100011220036_100000210624 [0,2,0,0,0,0|1,0,0]=3 3798 B11R0.149 CC(C)CC(=O)C(C)CC(C)C 1458a_100000210554_100000731052 [0,2,0,0,0,0|1,0,1]=4 3799 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 11a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 3800 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 1626a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 3801 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 240690a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 3802 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 527a_100000747067_100000210554 [0,2,0,0,0,0|2,0,0]=4 3803 B11R0.149 CC(C)CC(=O)N(C)CC(C)O 240690a_100000227577_100000210554 [0,2,0,0,0,0|2,0,0]=4 3804 B11R0.149 CC(C)CC(=O)N(C)CC(C)O 527a_100000227577_100000210554 [0,2,0,0,0,0|2,0,0]=4 3805 B11R0.149 CC(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210624 [0,2,0,0,0,0|0,0,2]=4 3806 B11R0.149 CC(C)CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000731052 [0,2,0,0,0,0|1,0,1]=4 3807 B11R0.149 CC(C)CN(C)C(=O)C[C@@H](C)O 240690a_100000747067_100011933948 [0,2,0,0,0,0|2,0,0]=4 3808 B11R0.149 CC(C)C[C@H](O)C(=O)CC(C)O 1458a_100012027011_100011218427 [0,2,0,0,0,0|0,0,2]=4 3809 B11R0.149 CC(C)NC(=O)C(=O)CC(F)F 1458a_100011220036_100011934356 [0,2,0,0,0,0|2,0,0]=4 3810 B11R0.149 CC(C)NC(=O)C(=O)NC(C)C 1626a_100138425928_100011220036 [0,2,0,0,0,0|2,0,0]=4 3811 B11R0.149 CC(C)NC(=O)C(=O)NC(C)C 240690a_100138425928_100011220036 [0,2,0,0,0,0|2,0,0]=4 3812 B11R0.149 CC(C)NC(=O)C(=O)NC(C)C 527a_100138425928_100011220036 [0,2,0,0,0,0|2,0,0]=4 3813 B11R0.149 CC(O)CC(=O)C(=O)NC(C)C 1458a_100011220036_100011218427 [0,2,0,0,0,0|1,0,0]=3 3814 B11R0.149 CC(O)CN(C)C(=O)C[C@@H](C)O 240690a_100000227577_100011933948 [0,2,0,0,0,0|2,0,0]=4 3815 B11R0.186 CC(C)(C)NC(=O)C(=O)CCF 1458a_100000238687_100011217306 [0,2,0,0,0,0|2,0,0]=4 3816 B11R0.186 CC(C)(C)NC(=O)C(=O)CCO 1458a_100000238687_100000211926 [0,2,0,0,0,0|2,0,0]=4 3817 B11R0.186 CCCC(=O)C(=O)NC(C)(C)C 1458a_100000238687_100000210303 [0,2,0,0,0,0|1,0,0]=3 3818 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 11a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 3819 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 1626a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 3820 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 240690a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 3821 B11R0.186 CCCC(=O)N(C)CC(C)(C)C 527a_100000742839_100000211992 [0,2,0,0,0,0|2,0,0]=4 3822 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 1626a_100000755907_100000211992 [0,2,0,0,0,0|2,0,0]=4 3823 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 240690a_100000755907_100000211992 [0,2,0,0,0,0|2,0,0]=4 3824 B11R0.186 CCCC(=O)N(C)CC(C)(C)O 527a_100000755907_100000211992 [0,2,0,0,0,0|2,0,0]=4 3825 B11R0.186 CCCC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000766640 [0,2,0,0,0,0|1,0,1]=4 3826 B11R0.186 CCCC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000766640 [0,2,0,0,0,0|1,0,1]=4 3827 B11R0.186 CCCN(C)C(=O)CC(C)(C)C 11a_100000747261_100000211214 [0,2,0,0,0,0|2,0,0]=4 3828 B11R0.186 CCCN(C)C(=O)CC(C)(C)C 1626a_100000747261_100000211214 [0,2,0,0,0,0|2,0,0]=4 3829 B11R0.186 CCCN(C)C(=O)CC(C)(C)C 240690a_100000747261_100000211214 [0,2,0,0,0,0|2,0,0]=4 3830 B11R0.186 CCCN(C)C(=O)CC(C)(C)C 527a_100000747261_100000211214 [0,2,0,0,0,0|2,0,0]=4 3831 B11R0.186 CCCN(C)C(=O)CC(C)(C)O 527a_100000747261_100000693243 [0,2,0,0,0,0|2,0,0]=4 3832 B11R0.186 CCNC(=O)C(=O)C[Si](C)(C)C 1458a_200011297158_100000233785 [0,2,0,0,0,0|1,1,0]=4 3833 B11R0.186 CCNC(=O)C(=O)NC(C)(C)C 1626a_100000715429_200011297158 [0,2,0,0,0,0|2,0,0]=4 3834 B11R0.186 CCNC(=O)C(=O)NC(C)(C)C 240690a_100000715429_200011297158 [0,2,0,0,0,0|2,0,0]=4 3835 B11R0.186 CCNC(=O)C(=O)NC(C)(C)C 240690a_100015525214_100000238687 [0,2,0,0,0,0|2,0,0]=4 3836 B11R0.186 CCNC(=O)C(=O)NC(C)(C)C 527a_100000715429_200011297158 [0,2,0,0,0,0|2,0,0]=4 3837 B11R0.186 CCNC(=O)C(=O)NC(C)(C)C 527a_100015525214_100000238687 [0,2,0,0,0,0|2,0,0]=4 3838 B11R0.186 CCOC(=O)C(=O)NC(C)(C)C 11a_100000715429_100014798877 [0,2,0,0,0,0|2,0,0]=4 3839 B11R0.186 CCOC(=O)C(=O)NC(C)(C)C 1626a_100000715429_100014798877 [0,2,0,0,0,0|2,0,0]=4 3840 B11R0.186 CCOC(=O)C(=O)NC(C)(C)C 240690a_100000715429_100014798877 [0,2,0,0,0,0|2,0,0]=4 3841 B11R0.240 CCCC(=O)C(C)(O)CC(C)C 1458a_100011434877_100000210303 [0,2,0,0,0,0|0,0,2]=4 3842 B11R0.18 CCCC(CC)C(=O)C(C)CC 1458a_100011192722_100011219200 [0,2,0,0,0,0|1,0,1]=4 3843 B11R0.18 CCCC(CC)C(=O)C(C)CC 1458a_100011416436_100000758301 [0,2,0,0,0,0|1,0,1]=4 3844 B11R0.18 CCCC(CC)C(=O)C(O)CC 1458a_100011196387_100011219200 [0,2,0,0,0,0|1,0,1]=4 3845 B11R0.18 CCCN(CC)C(=O)C(C)CC 11a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 3846 B11R0.18 CCCN(CC)C(=O)C(C)CC 1626a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 3847 B11R0.18 CCCN(CC)C(=O)C(C)CC 240690a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 3848 B11R0.18 CCCN(CC)C(=O)C(C)CC 527a_100000226822_100011192722 [0,2,0,0,0,0|2,0,0]=4 3849 B11R0.18 CCCN(CC)C(=O)C(O)CC 240690a_100000226822_100011196387 [0,2,0,0,0,0|2,0,0]=4 3850 B11R0.53 CCCC(=O)N(CC)C(C)CC 11a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 3851 B11R0.53 CCCC(=O)N(CC)C(C)CC 1626a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 3852 B11R0.53 CCCC(=O)N(CC)C(C)CC 240690a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 3853 B11R0.53 CCCC(=O)N(CC)C(C)CC 527a_100000732650_100000211992 [0,2,0,0,0,0|2,0,0]=4 3854 B11R0.57 CCCC(=O)N(CCC)C(C)C 11a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 3855 B11R0.57 CCCC(=O)N(CCC)C(C)C 1626a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 3856 B11R0.57 CCCC(=O)N(CCC)C(C)C 240690a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 3857 B11R0.57 CCCC(=O)N(CCC)C(C)C 527a_106256033942_100000211992 [0,2,0,0,0,0|2,0,0]=4 3858 B11R0.57 CCCC(C(=O)C)C(=O)OCC 1458a_100000070787_100000695697 [0,2,0,0,0,0|1,0,1]=4 3859 B11R0.61 CCCC(=O)C(CCC)CCC 1458a_100000211992_200011218217 [0,2,0,0,0,0|1,0,1]=4 3860 B11R0.61 CCCC(=O)C(CCC)CCC 1458a_100011215354_100000210303 [0,2,0,0,0,0|1,0,1]=4 3861 B11R0.61 CCCC(=O)C(CCC)OCC 34a_200011216804_100000210202 [0,2,0,0,0,0|0,0,2]=4 3862 B11R0.61 CCCC(=O)C(CCC)OCC 7a_200011216804_100000210202 [0,2,0,0,0,0|0,0,2]=4 3863 B11R0.61 CCCC(=O)C(CCC)OCF 34a_200011216804_100015361967 [0,2,0,0,0,0|0,0,2]=4 3864 B11R0.61 CCCC(=O)C(CCC)OCF 7a_200011216804_100015361967 [0,2,0,0,0,0|0,0,2]=4 3865 B11R0.61 CCCC(=O)N(CCC)CCC 11a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 3866 B11R0.61 CCCC(=O)N(CCC)CCC 1626a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 3867 B11R0.61 CCCC(=O)N(CCC)CCC 240690a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 3868 B11R0.61 CCCC(=O)N(CCC)CCC 527a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 3869 B11R0.61 CCCC(=O)N(CCC)CCO 240690a_100000211420_100000211992 [0,2,0,0,0,0|1,0,1]=4 3870 B11R0.241 CCCC(=O)C(C)(CC)CCC 1458a_100000211992_200000040151 [0,2,0,0,0,0|1,0,1]=4 3871 B11R0.241 CCCC(=O)C(C)(CC)CCC 1458a_200000724995_100000210303 [0,2,0,0,0,0|1,0,1]=4 3872 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 11a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 3873 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 1626a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 3874 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 240690a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 3875 B11R0.66 CCC(C)C(=O)N(C)C(C)CC 527a_100000741768_100011192722 [0,2,0,0,0,0|2,0,0]=4 3876 B11R0.66 CCC(O)C(=O)N(C)C(C)CC 240690a_100000741768_100011196387 [0,2,0,0,0,0|2,0,0]=4 3877 B11R0.103 CCCC(C)(C)C(=O)C(C)CC 1458a_100011215034_100000758301 [0,2,0,0,0,0|1,0,1]=4 3878 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 11a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 3879 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 1626a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 3880 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 240690a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 3881 B11R0.122 CCCC(=O)N(C)C(C)(C)CC 527a_200000755171_100000211992 [0,2,0,0,0,0|2,0,0]=4 3882 B11R0.122 CCCC(C)C(=O)C(C)(C)CC 1458a_100000749717_100000766640 [0,2,0,0,0,0|1,0,1]=4 3883 B11R0.122 CCCC(C)C(=O)C(C)(O)CC 1458a_100011219770_100000766640 [0,2,0,0,0,0|1,0,1]=4 3884 B11R0.122 CCCC(C)C(=O)C(F)(F)CC 1458a_100000061896_100000766640 [0,2,0,0,0,0|1,0,1]=4 3885 B11R0.122 CCCN(C)C(=O)C(C)(C)CC 11a_100000747261_100000749717 [0,2,0,0,0,0|2,0,0]=4 3886 B11R0.122 CCCN(C)C(=O)C(C)(C)CC 1626a_100000747261_100000749717 [0,2,0,0,0,0|2,0,0]=4 3887 B11R0.122 CCCN(C)C(=O)C(C)(C)CC 240690a_100000747261_100000749717 [0,2,0,0,0,0|2,0,0]=4 3888 B11R0.122 CCCN(C)C(=O)C(C)(C)CC 527a_100000747261_100000749717 [0,2,0,0,0,0|2,0,0]=4 3889 B11R0.122 CCCN(C)C(=O)C(C)(O)CC 240690a_100000747261_100011219770 [0,2,0,0,0,0|2,0,0]=4 3890 B11R0.122 CCCN(C)C(=O)C(F)(F)CC 11a_100000747261_100000061896 [0,2,0,0,0,0|2,0,0]=4 3891 B11R0.122 CCCN(C)C(=O)C(F)(F)CC 1626a_100000747261_100000061896 [0,2,0,0,0,0|2,0,0]=4 3892 B11R0.122 CCCN(C)C(=O)C(F)(F)CC 240690a_100000747261_100000061896 [0,2,0,0,0,0|2,0,0]=4 3893 B11R0.122 CCCN(C)C(=O)C(F)(F)CC 527a_100000747261_100000061896 [0,2,0,0,0,0|2,0,0]=4 3894 B11R0.179 CC/C=C(\C)/C(=O)C(CC)CC 1458a_100016988807_100000210505 [0,2,0,0,0,0|1,0,1]=4 3895 B11R0.179 CCCC(=O)C(=O)N(CC)CC 1458a_200000187824_100000210303 [0,2,0,0,0,0|1,0,0]=3 3896 B11R0.179 CCCC(=O)N(C)C(CC)CC 11a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 3897 B11R0.179 CCCC(=O)N(C)C(CC)CC 1626a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 3898 B11R0.179 CCCC(=O)N(C)C(CC)CC 240690a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 3899 B11R0.179 CCCC(=O)N(C)C(CC)CC 527a_100000737045_100000211992 [0,2,0,0,0,0|2,0,0]=4 3900 B11R0.179 CCCC(C)C(=O)C(CC)CC 1458a_100000210906_100000210505 [0,2,0,0,0,0|1,0,1]=4 3901 B11R0.179 CCCC(C)C(=O)C(CC)CC 1458a_100000211163_100000766640 [0,2,0,0,0,0|1,0,1]=4 3902 B11R0.179 CCCC(C)C(=O)C(CC)OC 1458a_100000747056_100000766640 [0,2,0,0,0,0|1,0,1]=4 3903 B11R0.179 CCCN(C)C(=O)C(CC)CC 11a_100000747261_100000211163 [0,2,0,0,0,0|2,0,0]=4 3904 B11R0.179 CCCN(C)C(=O)C(CC)CC 1626a_100000747261_100000211163 [0,2,0,0,0,0|2,0,0]=4 3905 B11R0.179 CCCN(C)C(=O)C(CC)CC 240690a_100000747261_100000211163 [0,2,0,0,0,0|2,0,0]=4 3906 B11R0.179 CCCN(C)C(=O)C(CC)CC 527a_100000747261_100000211163 [0,2,0,0,0,0|2,0,0]=4 3907 B11R0.179 CCCN(C)C(=O)C(CC)OC 11a_100000747261_100000747056 [0,2,0,0,0,0|2,0,0]=4 3908 B11R0.179 CCCN(C)C(=O)C(CC)OC 1626a_100000747261_100000747056 [0,2,0,0,0,0|2,0,0]=4 3909 B11R0.179 CCCN(C)C(=O)C(CC)OC 240690a_100000747261_100000747056 [0,2,0,0,0,0|2,0,0]=4 3910 B11R0.179 CCCN(C)C(=O)C(CC)OC 527a_100000747261_100000747056 [0,2,0,0,0,0|2,0,0]=4 3911 B11R0.179 CCC[C@H](O)C(=O)C(CC)CC 1458a_100009822183_100000210505 [0,2,0,0,0,0|0,0,2]=4 3912 B11R0.179 CCN(CC)C(=O)C(=O)CCF 1458a_200000187824_100011217306 [0,2,0,0,0,0|2,0,0]=4 3913 B11R0.179 CCN(CC)C(=O)C(=O)CCO 1458a_200000187824_100000211926 [0,2,0,0,0,0|2,0,0]=4 3914 B11R0.179 CCNC(=O)C(=O)C(CC)CC 1458a_200011297158_100000210505 [0,2,0,0,0,0|1,0,0]=3 3915 B11R0.179 CCNC(=O)C(=O)N(CC)CC 1626a_100000724800_200011297158 [0,2,0,0,0,0|2,0,0]=4 3916 B11R0.179 CCNC(=O)C(=O)N(CC)CC 240690a_100000724800_200011297158 [0,2,0,0,0,0|2,0,0]=4 3917 B11R0.179 CCNC(=O)C(=O)N(CC)CC 240690a_100015525214_200000187824 [0,2,0,0,0,0|2,0,0]=4 3918 B11R0.179 CCNC(=O)C(=O)N(CC)CC 527a_100000724800_200011297158 [0,2,0,0,0,0|2,0,0]=4 3919 B11R0.179 CCNC(=O)C(=O)N(CC)CC 527a_100015525214_200000187824 [0,2,0,0,0,0|2,0,0]=4 3920 B11R0.179 CCOC(=O)C(=O)C(CC)SC 62a_200000210301_200010191611 [0,2,0,0,0,0|1,0,0]=3 3921 B11R0.179 CCOC(=O)C(=O)C(CC)SC 62a_200010191611_200000210301 [0,2,0,0,0,0|1,0,0]=3 3922 B11R0.179 CCOC(=O)C(=O)C(CC)S[13CH3] 62a_200010191611_200025704644 [0,2,0,0,0,0|1,0,0]=3 3923 B11R0.179 CCOC(=O)C(=O)C(CC)S[13CH3] 62a_200025704644_200010191611 [0,2,0,0,0,0|1,0,0]=3 3924 B11R0.179 CCOC(=O)C(=O)N(CC)CC 11a_100000724800_100014798877 [0,2,0,0,0,0|2,0,0]=4 3925 B11R0.179 CCOC(=O)C(=O)N(CC)CC 1626a_100000724800_100014798877 [0,2,0,0,0,0|2,0,0]=4 3926 B11R0.179 CCOC(=O)C(=O)N(CC)CC 240690a_100000724800_100014798877 [0,2,0,0,0,0|2,0,0]=4 3927 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [1,0,0,1,0,0|2,0,0]=4 3928 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [1,0,0,1,0,0|2,0,0]=4 3929 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,0,0,1,0,0|1,0,1]=4 3930 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,0,0,1,0,0|1,0,1]=4 3931 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|1,0,1]=4 3932 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|1,0,1]=4 3933 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 3934 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 3935 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 3936 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [1,0,0,1,0,0|2,0,0]=4 3937 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 3938 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|1,0,1]=4 3939 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|1,0,1]=4 3940 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [1,0,0,1,0,0|2,0,0]=4 3941 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [1,0,0,1,0,0|2,0,0]=4 3942 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|1,0,1]=4 3943 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|1,0,1]=4 3944 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [1,0,0,1,0,0|2,0,0]=4 3945 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [1,0,0,1,0,0|2,0,0]=4 3946 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 3947 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 3948 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|1,0,1]=4 3949 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [1,0,0,1,0,0|2,0,0]=4 3950 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|1,0,1]=4 3951 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|1,0,1]=4 3952 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [1,0,0,1,0,0|2,0,0]=4 3953 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [1,0,0,1,0,0|2,0,0]=4 3954 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|1,0,1]=4 3955 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|1,0,1]=4 3956 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|1,0,1]=4 3957 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|1,0,1]=4 3958 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|1,0,1]=4 3959 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [1,0,0,1,0,0|1,0,1]=4 3960 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [1,0,0,1,0,0|2,0,0]=4 3961 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [1,0,0,1,0,0|2,0,0]=4 3962 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [1,0,0,1,0,0|1,0,1]=4 3963 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [1,0,0,1,0,0|2,0,0]=4 3964 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [1,0,0,1,0,0|2,0,0]=4 3965 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [1,0,0,1,0,0|2,0,0]=4 3966 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [1,0,0,1,0,0|2,0,0]=4 3967 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [1,0,0,1,0,0|0,0,1]=3 3968 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [1,0,0,1,0,0|0,0,1]=3 3969 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [1,0,0,1,0,0|1,0,1]=4 3970 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [1,0,0,1,0,0|1,0,1]=4 3971 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [1,0,0,1,0,0|1,0,1]=4 3972 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [1,0,0,1,0,0|1,0,0]=3 3973 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [1,0,0,1,0,0|1,0,0]=3 3974 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [1,0,0,1,0,0|1,0,0]=3 3975 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 3976 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 3977 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [1,0,0,1,0,0|1,0,1]=4 3978 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 3979 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 3980 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [1,0,0,1,0,0|1,0,1]=4 3981 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [1,0,0,1,0,0|1,0,1]=4 3982 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [1,0,0,1,0,0|1,0,1]=4 3983 B9R1.73 CNCC(=O)N1CCC1 2230a_106832991635_100000185095 [1,0,0,1,0,0|2,0,0]=4 3984 B9R1.73 CNCC(=O)N1CCC1 34a_100102657272_100000185095 [1,0,0,1,0,0|2,0,0]=4 3985 B9R1.73 CNCC(=O)N1CCC1 7a_106832991635_100000185095 [1,0,0,1,0,0|2,0,0]=4 3986 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [1,0,0,1,0,0|1,0,1]=4 3987 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [1,0,0,1,0,0|1,0,1]=4 3988 B9R1.73 COCC(=O)N1CCC1 11a_100000754969_100000210968 [1,0,0,1,0,0|2,0,0]=4 3989 B9R1.73 COCC(=O)N1CCC1 240690a_100000754969_100000210968 [1,0,0,1,0,0|2,0,0]=4 3990 B9R1.73 COCC(=O)N1CCC1 34a_100138415774_100000185095 [1,0,0,1,0,0|2,0,0]=4 3991 B9R1.73 COCC(=O)N1CCC1 527a_100000754969_100000210968 [1,0,0,1,0,0|2,0,0]=4 3992 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [1,0,0,1,0,0|1,0,1]=4 3993 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [1,0,0,1,0,0|1,0,1]=4 3994 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [1,0,0,1,0,0|1,0,1]=4 3995 B9R1.73 CSCC(=O)N1CCC1 11a_100000754969_100000184570 [1,0,0,1,0,0|2,0,0]=4 3996 B9R1.73 CSCC(=O)N1CCC1 240690a_100000754969_100000184570 [1,0,0,1,0,0|2,0,0]=4 3997 B9R1.73 CSCC(=O)N1CCC1 527a_100000754969_100000184570 [1,0,0,1,0,0|2,0,0]=4 3998 B9R1.73 CSCC(=O)N1CCC1 62a_100000185095_200000210301 [1,0,0,1,0,0|2,0,0]=4 3999 B9R1.73 CSCC(=O)N1CCC1 62a_200000210301_100000185095 [1,0,0,1,0,0|2,0,0]=4 4000 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [1,0,0,1,0,0|1,0,1]=4 4001 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [1,0,0,1,0,0|1,0,1]=4 4002 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [1,0,0,1,0,0|1,0,1]=4 4003 B9R1.73 O=C(CCO)N1CCC1 240690a_100000754969_100011216618 [1,0,0,1,0,0|2,0,0]=4 4004 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [1,0,0,1,0,0|1,0,1]=4 4005 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [1,0,0,1,0,0|1,0,1]=4 4006 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_100000185095_200025704644 [1,0,0,1,0,0|2,0,0]=4 4007 B9R1.73 [13CH3]SCC(=O)N1CCC1 62a_200025704644_100000185095 [1,0,0,1,0,0|2,0,0]=4 4008 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [1,0,0,1,0,0|0,0,1]=3 4009 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [1,0,0,1,0,0|0,0,1]=3 4010 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [1,0,0,1,0,0|1,0,1]=4 4011 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [1,0,0,1,0,0|1,0,1]=4 4012 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [1,0,0,1,0,0|1,0,1]=4 4013 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [1,0,0,1,0,0|1,0,0]=3 4014 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [1,0,0,1,0,0|1,0,0]=3 4015 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [1,0,0,1,0,0|1,0,0]=3 4016 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 4017 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 4018 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [1,0,0,1,0,0|1,0,1]=4 4019 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 4020 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 4021 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 4022 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 4023 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 4024 B9R1.75 CNCC(=O)NC1CC1 2230a_100000702991_200000210301 [1,0,0,1,0,0|2,0,0]=4 4025 B9R1.75 CNCC(=O)NC1CC1 2230a_106832991635_100000182950 [1,0,0,1,0,0|2,0,0]=4 4026 B9R1.75 CNCC(=O)NC1CC1 34a_100102657272_100000182950 [1,0,0,1,0,0|2,0,0]=4 4027 B9R1.75 CNCC(=O)NC1CC1 7a_106832991635_100000182950 [1,0,0,1,0,0|2,0,0]=4 4028 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [1,0,0,1,0,0|1,0,1]=4 4029 B9R1.75 COCC(=O)NC1CC1 1626a_100000212008_100000210968 [1,0,0,1,0,0|2,0,0]=4 4030 B9R1.75 COCC(=O)NC1CC1 240690a_100000212008_100000210968 [1,0,0,1,0,0|2,0,0]=4 4031 B9R1.75 COCC(=O)NC1CC1 34a_100138415774_100000182950 [1,0,0,1,0,0|2,0,0]=4 4032 B9R1.75 COCC(=O)NC1CC1 527a_100000212008_100000210968 [1,0,0,1,0,0|2,0,0]=4 4033 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [1,0,0,1,0,0|1,0,1]=4 4034 B9R1.75 CSCC(=O)NC1CC1 1626a_100000212008_100000184570 [1,0,0,1,0,0|2,0,0]=4 4035 B9R1.75 CSCC(=O)NC1CC1 240690a_100000212008_100000184570 [1,0,0,1,0,0|2,0,0]=4 4036 B9R1.75 CSCC(=O)NC1CC1 527a_100000212008_100000184570 [1,0,0,1,0,0|2,0,0]=4 4037 B9R1.75 CSCC(=O)NC1CC1 62a_100000182950_200000210301 [1,0,0,1,0,0|2,0,0]=4 4038 B9R1.75 CSCC(=O)NC1CC1 62a_200000210301_100000182950 [1,0,0,1,0,0|2,0,0]=4 4039 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [1,0,0,1,0,0|1,0,1]=4 4040 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [1,0,0,1,0,0|1,0,1]=4 4041 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [1,0,0,1,0,0|1,0,1]=4 4042 B9R1.75 O=C(CCO)NC1CC1 240690a_100000212008_100011216618 [1,0,0,1,0,0|2,0,0]=4 4043 B9R1.75 [13CH3]NCC(=O)NC1CC1 2230a_100000702991_200025704644 [1,0,0,1,0,0|2,0,0]=4 4044 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_100000182950_200025704644 [1,0,0,1,0,0|2,0,0]=4 4045 B9R1.75 [13CH3]SCC(=O)NC1CC1 62a_200025704644_100000182950 [1,0,0,1,0,0|2,0,0]=4 4046 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [1,0,0,1,0,0|0,0,1]=3 4047 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [1,0,0,1,0,0|1,0,1]=4 4048 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [1,0,0,1,0,0|1,0,0]=3 4049 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [1,0,0,1,0,0|1,0,0]=3 4050 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [1,0,0,1,0,0|1,0,0]=3 4051 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [1,0,0,1,0,0|1,0,0]=3 4052 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [1,0,0,1,0,0|2,0,0]=4 4053 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [1,0,0,1,0,0|2,0,0]=4 4054 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [1,0,0,1,0,0|2,0,0]=4 4055 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [1,0,0,1,0,0|2,0,0]=4 4056 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [1,0,0,1,0,0|1,0,1]=4 4057 B9R1.100 CCNNC(=O)C1CC1 22a_100000756455_100000210395 [1,0,0,1,0,0|2,0,0]=4 4058 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [1,0,0,1,0,0|1,0,1]=4 4059 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [1,0,0,1,0,0|1,0,1]=4 4060 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [1,0,0,1,0,0|1,0,1]=4 4061 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [1,0,0,1,0,0|1,0,1]=4 4062 B9R1.100 CNCOC(=O)C1CC1 2230a_106832991635_100000140896 [1,0,0,1,0,0|2,0,0]=4 4063 B9R1.100 CNCOC(=O)C1CC1 34a_100102657272_100000140896 [1,0,0,1,0,0|2,0,0]=4 4064 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [1,0,0,1,0,0|1,0,1]=4 4065 B9R1.100 COCOC(=O)C1CC1 34a_100138415774_100000140896 [1,0,0,1,0,0|2,0,0]=4 4066 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [1,0,0,1,0,0|1,0,1]=4 4067 B9R1.100 CSCOC(=O)C1CC1 62a_100000140896_200000210301 [1,0,0,1,0,0|2,0,0]=4 4068 B9R1.100 CSCOC(=O)C1CC1 62a_200000210301_100000140896 [1,0,0,1,0,0|2,0,0]=4 4069 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [1,0,0,1,0,0|1,0,1]=4 4070 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [1,0,0,1,0,0|1,0,1]=4 4071 B9R1.100 O=C(NCCF)C1CC1 11a_100000724931_100000210395 [1,0,0,1,0,0|2,0,0]=4 4072 B9R1.100 O=C(NCCF)C1CC1 1626a_100000724931_100000210395 [1,0,0,1,0,0|2,0,0]=4 4073 B9R1.100 O=C(NCCF)C1CC1 240690a_100000724931_100000210395 [1,0,0,1,0,0|2,0,0]=4 4074 B9R1.100 O=C(NCCF)C1CC1 527a_100000724931_100000210395 [1,0,0,1,0,0|2,0,0]=4 4075 B9R1.100 O=C(NCCO)C1CC1 240690a_100000210304_100000210395 [1,0,0,1,0,0|2,0,0]=4 4076 B9R1.100 O=C(NCCO)C1CC1 527a_100000210304_100000210395 [1,0,0,1,0,0|2,0,0]=4 4077 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_100000140896_200025704644 [1,0,0,1,0,0|2,0,0]=4 4078 B9R1.100 [13CH3]SCOC(=O)C1CC1 62a_200025704644_100000140896 [1,0,0,1,0,0|2,0,0]=4 4079 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [1,0,0,1,0,0|1,0,1]=4 4080 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [1,0,0,1,0,0|1,0,1]=4 4081 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|0,0,1]=3 4082 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [1,0,0,1,0,0|1,0,1]=4 4083 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,1]=4 4084 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,1]=4 4085 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [1,0,0,1,0,0|1,0,0]=3 4086 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [1,0,0,1,0,0|2,0,0]=4 4087 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [1,0,0,1,0,0|2,0,0]=4 4088 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [1,0,0,1,0,0|1,0,1]=4 4089 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [1,0,0,1,0,0|1,0,1]=4 4090 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [1,0,0,1,0,0|0,1,1]=4 4091 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [1,0,0,1,0,0|2,0,0]=4 4092 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [1,0,0,1,0,0|2,0,0]=4 4093 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,0,0,1,0,0|0,0,2]=4 4094 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [1,0,0,1,0,0|2,0,0]=4 4095 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [1,0,0,1,0,0|2,0,0]=4 4096 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [1,0,0,1,0,0|2,0,0]=4 4097 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [1,0,0,1,0,0|2,0,0]=4 4098 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [1,0,0,1,0,0|1,0,1]=4 4099 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [1,0,0,1,0,0|1,0,1]=4 4100 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [1,0,0,1,0,0|0,0,2]=4 4101 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [1,0,0,1,0,0|1,0,1]=4 4102 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [1,0,0,1,0,0|2,0,0]=4 4103 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [1,0,0,1,0,0|2,0,0]=4 4104 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [1,0,0,1,0,0|2,0,0]=4 4105 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [1,0,0,1,0,0|1,0,1]=4 4106 B9R1.101 CCC(=O)N(C)C1CC1 11a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 4107 B9R1.101 CCC(=O)N(C)C1CC1 1626a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 4108 B9R1.101 CCC(=O)N(C)C1CC1 240690a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 4109 B9R1.101 CCC(=O)N(C)C1CC1 527a_100000226674_100000210414 [1,0,0,1,0,0|2,0,0]=4 4110 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [1,0,0,1,0,0|1,0,1]=4 4111 B9R1.101 CCN(C)C(=O)C1CC1 11a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 4112 B9R1.101 CCN(C)C(=O)C1CC1 1626a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 4113 B9R1.101 CCN(C)C(=O)C1CC1 240690a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 4114 B9R1.101 CCN(C)C(=O)C1CC1 527a_100000225621_100000210395 [1,0,0,1,0,0|2,0,0]=4 4115 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [1,0,0,1,0,0|1,0,1]=4 4116 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [1,0,0,1,0,0|0,0,2]=4 4117 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,0,0,1,0,1|1,0,0]=3 4118 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,0,0,1,0,1|1,0,0]=3 4119 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,0,0,1,0,1|1,0,1]=4 4120 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,0,0,1,0,1|1,0,1]=4 4121 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,0,0,1,0,1|0,0,2]=4 4122 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,0,0,1,0,1|2,0,0]=4 4123 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,0,0,1,0,1|2,0,0]=4 4124 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,0,0,1,0,1|2,0,0]=4 4125 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,0,0,1,0,1|1,0,1]=4 4126 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,0,0,1,0,1|1,0,1]=4 4127 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,0,0,1,0,1|1,0,1]=4 4128 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,0,0,1,0,1|1,0,1]=4 4129 B11R1.30 CCNC(=O)C=C1CCCC1 11a_100015525214_100000743260 [0,0,0,1,0,1|2,0,0]=4 4130 B11R1.30 CCNC(=O)C=C1CCCC1 240690a_100015525214_100000743260 [0,0,0,1,0,1|2,0,0]=4 4131 B11R1.30 CCNC(=O)C=C1CCCC1 527a_100015525214_100000743260 [0,0,0,1,0,1|2,0,0]=4 4132 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,0,0,1,0,1|2,0,0]=4 4133 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,0,0,1,0,1|2,0,0]=4 4134 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,0,0,1,0,1|2,0,0]=4 4135 B11R1.30 O=C(C=C1CCCC1)CCF 1458a_100000743260_100011217306 [0,0,0,1,0,1|2,0,0]=4 4136 B11R1.30 O=C(C=C1CCCC1)CCO 1458a_100000743260_100000211926 [0,0,0,1,0,1|2,0,0]=4 4137 B11R1.30 O=C(CCF)CC1=CCCC1 1458a_100000050221_100011217306 [0,0,0,1,0,1|2,0,0]=4 4138 B11R1.30 O=C(CCO)CC1=CCCC1 1458a_100000050221_100000211926 [0,0,0,1,0,1|2,0,0]=4 4139 B11R1.127 CCCc1noc(n1)CCC 270196a_100011193412_100000211992 [0,0,0,1,0,1|1,0,1]=4 4140 B11R1.199 C#CCC(=O)C1CCCC1=O 1458a_100011220946_100000211823 [0,0,0,1,0,1|0,0,2]=4 4141 B11R1.199 C=CCC(=O)C1CCCC1=O 1458a_100000210193_100000211823 [0,0,0,1,0,1|0,0,2]=4 4142 B11R1.199 CC#CC(=O)C1CCCC1=O 1458a_100000763181_100000211823 [0,0,0,1,0,1|0,0,2]=4 4143 B11R1.199 CC=CC(=O)C1CCCC1=O 1458a_100000210699_100000211823 [0,0,0,1,0,1|0,0,2]=4 4144 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,0,0,1,0,1|0,0,0]=2 4145 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,0,0,1,0,1|1,0,1]=4 4146 B11R1.199 CCCC(=O)C1CCOC1=O 1458a_100000211992_100000211211 [0,0,0,1,0,1|1,0,0]=3 4147 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,0,0,1,0,1|1,0,1]=4 4148 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,0,0,1,0,1|1,0,1]=4 4149 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,0,0,1,0,1|1,0,1]=4 4150 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,0,0,1,0,1|1,0,1]=4 4151 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,0,0,1,0,1|1,0,1]=4 4152 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [0,0,0,1,0,1|2,0,0]=4 4153 B11R1.199 CCCN(C)C1CCCC1=O 2230a_100000747261_100000211823 [0,0,0,1,0,1|2,0,0]=4 4154 B11R1.199 CCCN(C)C1CCCC1=O 269982a_100000747261_100000211823 [0,0,0,1,0,1|2,0,0]=4 4155 B11R1.199 CNCC(=O)N1CCNC1=O 2230a_106832991635_100000185157 [0,0,0,1,0,1|2,0,0]=4 4156 B11R1.199 CNCC(=O)N1CCNC1=O 7a_106832991635_100000185157 [0,0,0,1,0,1|2,0,0]=4 4157 B11R1.199 COCC(=O)C1CCCC1=O 1458a_100000210968_100000211823 [0,0,0,1,0,1|1,0,0]=3 4158 B11R1.199 COCC(=O)C1CCOC1=O 1458a_100000210968_100000211211 [0,0,0,1,0,1|2,0,0]=4 4159 B11R1.199 CSCC(=O)C1CCCC1=O 1458a_100000184570_100000211823 [0,0,0,1,0,1|1,0,0]=3 4160 B11R1.199 CSCC(=O)C1CCOC1=O 1458a_100000184570_100000211211 [0,0,0,1,0,1|2,0,0]=4 4161 B11R1.199 CSCC(=O)N1CCNC1=O 62a_100000185157_200000210301 [0,0,0,1,0,1|2,0,0]=4 4162 B11R1.199 CSCC(=O)N1CCNC1=O 62a_200000210301_100000185157 [0,0,0,1,0,1|2,0,0]=4 4163 B11R1.199 N#CCC(=O)C1CCCC1=O 1458a_100051588842_100000211823 [0,0,0,1,0,1|1,0,1]=4 4164 B11R1.199 O=C(CCO)C1CCCC1=O 1458a_100011216618_100000211823 [0,0,0,1,0,1|1,0,0]=3 4165 B11R1.199 O=C(CCO)C1CCOC1=O 1458a_100011216618_100000211211 [0,0,0,1,0,1|2,0,0]=4 4166 B11R1.199 [13CH3]SCC(=O)N1CCNC1=O 62a_100000185157_200025704644 [0,0,0,1,0,1|2,0,0]=4 4167 B11R1.199 [13CH3]SCC(=O)N1CCNC1=O 62a_200025704644_100000185157 [0,0,0,1,0,1|2,0,0]=4 4168 B11R1.201 CCCC(=O)CN1CC(C1)C 2230a_100000702820_100000747444 [0,0,0,1,0,1|2,0,0]=4 4169 B11R1.201 CCCC(=O)CN1CC(C1)C 269982a_100000702820_100000747444 [0,0,0,1,0,1|2,0,0]=4 4170 B11R1.334 C#CCC(=O)CC(=O)C1CC1 1458a_100011220946_100000746382 [0,0,0,1,0,1|0,0,2]=4 4171 B11R1.334 C=CCC(=O)CC(=O)C1CC1 1458a_100000210193_100000746382 [0,0,0,1,0,1|0,0,2]=4 4172 B11R1.334 CC#CC(=O)CC(=O)C1CC1 1458a_100000763181_100000746382 [0,0,0,1,0,1|0,0,2]=4 4173 B11R1.334 CC(=CC(=O)CCF)C1CC1 1458a_100000742917_100011217306 [0,0,0,1,0,1|2,0,0]=4 4174 B11R1.334 CC(=CC(=O)CCO)C1CC1 1458a_100000742917_100000211926 [0,0,0,1,0,1|2,0,0]=4 4175 B11R1.334 CC=CC(=O)CC(=O)C1CC1 1458a_100000210699_100000746382 [0,0,0,1,0,1|0,0,2]=4 4176 B11R1.334 CCCC(=O)C=C(C)C1CC1 1458a_100000742917_100000210303 [0,0,0,1,0,1|1,0,0]=3 4177 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747444 [0,0,0,1,0,1|0,0,0]=2 4178 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000211992_100000746382 [0,0,0,1,0,1|0,0,0]=2 4179 B11R1.334 CCCC(=O)CC(=O)C1CO1 1458a_100000701028_100000747444 [0,0,0,1,0,1|1,0,0]=3 4180 B11R1.334 CCCC(=O)CN(C)C1CC1 2230a_100000226674_100000747444 [0,0,0,1,0,1|2,0,0]=4 4181 B11R1.334 CCCC(=O)CN(C)C1CC1 269982a_100000226674_100000747444 [0,0,0,1,0,1|2,0,0]=4 4182 B11R1.334 CCCC(=O)NC(C)C1CC1 11a_100000700016_100000211992 [0,0,0,1,0,1|1,0,1]=4 4183 B11R1.334 CCCC(=O)NC(C)C1CC1 1626a_100000700016_100000211992 [0,0,0,1,0,1|1,0,1]=4 4184 B11R1.334 CCCC(=O)NC(C)C1CC1 240690a_100000700016_100000211992 [0,0,0,1,0,1|1,0,1]=4 4185 B11R1.334 CCCC(=O)NC(C)C1CC1 527a_100000700016_100000211992 [0,0,0,1,0,1|1,0,1]=4 4186 B11R1.334 CCCC(C)CC(=O)C1CC1 1458a_100000210395_100011216630 [0,0,0,1,0,1|1,0,1]=4 4187 B11R1.334 CCCC(C)NC(=O)C1CC1 11a_100000741246_100000210395 [0,0,0,1,0,1|1,0,1]=4 4188 B11R1.334 CCCC(C)NC(=O)C1CC1 1626a_100000741246_100000210395 [0,0,0,1,0,1|1,0,1]=4 4189 B11R1.334 CCCC(C)NC(=O)C1CC1 240690a_100000741246_100000210395 [0,0,0,1,0,1|1,0,1]=4 4190 B11R1.334 CCCC(C)NC(=O)C1CC1 527a_100000741246_100000210395 [0,0,0,1,0,1|1,0,1]=4 4191 B11R1.334 CCCN(C)CC(=O)C1CC1 2230a_100000747261_100000746382 [0,0,0,1,0,1|2,0,0]=4 4192 B11R1.334 CCCN(C)CC(=O)C1CC1 269982a_100000747261_100000746382 [0,0,0,1,0,1|2,0,0]=4 4193 B11R1.334 CCNC(=O)C=C(C)C1CC1 11a_100015525214_100000742917 [0,0,0,1,0,1|2,0,0]=4 4194 B11R1.334 CCNC(=O)C=C(C)C1CC1 240690a_100015525214_100000742917 [0,0,0,1,0,1|2,0,0]=4 4195 B11R1.334 CCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183381 [0,0,0,1,0,1|1,0,0]=3 4196 B11R1.334 CCNC(=O)CC(=O)C1CO1 1458a_100000701028_100000183381 [0,0,0,1,0,1|2,0,0]=4 4197 B11R1.334 CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000188475 [0,0,0,1,0,1|1,0,0]=3 4198 B11R1.334 CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000188475 [0,0,0,1,0,1|2,0,0]=4 4199 B11R1.334 COCC(=O)CC(=O)C1CC1 1458a_100000210968_100000746382 [0,0,0,1,0,1|1,0,0]=3 4200 B11R1.334 CSCC(=O)CC(=O)C1CC1 1458a_100000184570_100000746382 [0,0,0,1,0,1|1,0,0]=3 4201 B11R1.334 N#CCC(=O)CC(=O)C1CC1 1458a_100051588842_100000746382 [0,0,0,1,0,1|1,0,1]=4 4202 B11R1.334 O=C(CC(=O)C1CC1)NCO 1458a_100000210395_100000185155 [0,0,0,1,0,1|2,0,0]=4 4203 B11R1.334 O=C(CCO)CC(=O)C1CC1 1458a_100011216618_100000746382 [0,0,0,1,0,1|1,0,0]=3 4204 B11R1.840 CCCC(=O)CC1(CCC1)C 1458a_100000211992_100000726658 [0,0,0,1,0,1|1,0,1]=4 4205 B11R1.840 CCCC(=O)NC1(CCC1)C 11a_100000692455_100000211992 [0,0,0,1,0,1|1,0,1]=4 4206 B11R1.840 CCCC(=O)NC1(CCC1)C 1626a_100000692455_100000211992 [0,0,0,1,0,1|1,0,1]=4 4207 B11R1.840 CCCC(=O)NC1(CCC1)C 240690a_100000692455_100000211992 [0,0,0,1,0,1|1,0,1]=4 4208 B11R1.840 CCCC(=O)NC1(CCC1)C 527a_100000692455_100000211992 [0,0,0,1,0,1|1,0,1]=4 4209 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [0,1,0,1,0,0|2,0,0]=4 4210 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [0,1,0,1,0,0|2,0,0]=4 4211 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [0,1,0,1,0,0|2,0,0]=4 4212 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [0,1,0,1,0,0|2,0,0]=4 4213 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,1,0,1,0,0|1,0,1]=4 4214 B11R1.15 CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210303 [0,1,0,1,0,0|1,0,1]=4 4215 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,1,0,1,0,0|2,0,0]=4 4216 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,1,0,1,0,0|2,0,0]=4 4217 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 4218 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 4219 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 4220 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 4221 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 4222 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 4223 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 4224 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,1,0,1,0,0|1,0,0]=3 4225 B11R1.16 CCCC(=O)C1=CCCCO1 1458a_100000764163_100000210303 [0,1,0,1,0,0|0,0,1]=3 4226 B11R1.16 CCCC(=O)C1=COCCC1 1458a_100000749935_100000210303 [0,1,0,1,0,0|0,0,1]=3 4227 B11R1.16 CCCC(=O)C1=COCCO1 1458a_100000008702_100000210303 [0,1,0,1,0,0|0,0,2]=4 4228 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,1,0,1,0,0|1,0,1]=4 4229 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,1,0,1,0,0|1,0,1]=4 4230 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,1,0,1,0,0|1,0,1]=4 4231 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,1,0,1,0,0|0,0,2]=4 4232 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [0,1,0,1,0,0|0,0,2]=4 4233 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [0,1,0,1,0,0|0,0,2]=4 4234 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [0,1,0,1,0,0|1,0,1]=4 4235 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [0,1,0,1,0,0|1,0,1]=4 4236 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [0,1,0,1,0,0|1,0,1]=4 4237 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,1,0,1,0,0|0,0,2]=4 4238 B11R1.16 CCCC(=O)C1SCCCS1 1458a_100000028545_100000210303 [0,1,0,1,0,0|0,1,1]=4 4239 B11R1.16 CCCC(=O)N1CCCOC1 11a_100000131196_100000211992 [0,1,0,1,0,0|1,0,1]=4 4240 B11R1.16 CCCC(=O)N1CCCOC1 240690a_100000131196_100000211992 [0,1,0,1,0,0|1,0,1]=4 4241 B11R1.16 CCCC(=O)N1CCOCC1 11a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 4242 B11R1.16 CCCC(=O)N1CCOCC1 1626a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 4243 B11R1.16 CCCC(=O)N1CCOCC1 240690a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 4244 B11R1.16 CCCC(=O)N1CCOCC1 527a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 4245 B11R1.16 CCCC(=O)N1CCSCC1 11a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 4246 B11R1.16 CCCC(=O)N1CCSCC1 240690a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 4247 B11R1.16 CCCC(=O)N1CCSCC1 527a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 4248 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [0,1,0,1,0,0|2,0,0]=4 4249 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [0,1,0,1,0,0|2,0,0]=4 4250 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [0,1,0,1,0,0|2,0,0]=4 4251 B11R1.16 CCNC(=O)C1=CCCCO1 11a_100015525214_100000764163 [0,1,0,1,0,0|1,0,1]=4 4252 B11R1.16 CCNC(=O)C1=CCCCO1 240690a_100015525214_100000764163 [0,1,0,1,0,0|1,0,1]=4 4253 B11R1.16 CCNC(=O)C1=CCCCO1 527a_100015525214_100000764163 [0,1,0,1,0,0|1,0,1]=4 4254 B11R1.16 CCNC(=O)C1=COCCC1 527a_100015525214_100000749935 [0,1,0,1,0,0|1,0,1]=4 4255 B11R1.16 O=C(CCF)C1=CCCCC1 1458a_100000765259_100011217306 [0,1,0,1,0,0|2,0,0]=4 4256 B11R1.16 O=C(CCF)C1=CCCCO1 1458a_100000764163_100011217306 [0,1,0,1,0,0|1,0,1]=4 4257 B11R1.16 O=C(CCF)C1=COCCC1 1458a_100000749935_100011217306 [0,1,0,1,0,0|1,0,1]=4 4258 B11R1.16 O=C(CCO)C1=CCCCC1 1458a_100000765259_100000211926 [0,1,0,1,0,0|2,0,0]=4 4259 B11R1.16 O=C(CCO)C1=CCCCO1 1458a_100000764163_100000211926 [0,1,0,1,0,0|1,0,1]=4 4260 B11R1.16 O=C(CCO)C1=COCCC1 1458a_100000749935_100000211926 [0,1,0,1,0,0|1,0,1]=4 4261 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,1,0,1,0,0|1,0,1]=4 4262 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,1,0,1,0,0|1,0,1]=4 4263 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,1,0,1,0,0|1,0,1]=4 4264 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,1,0,1,0,0|1,0,1]=4 4265 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,1,0,1,0,0|1,0,1]=4 4266 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,1,0,1,0,0|1,0,1]=4 4267 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [0,1,0,1,0,0|2,0,0]=4 4268 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [0,1,0,1,0,0|2,0,0]=4 4269 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [0,1,0,1,0,0|2,0,0]=4 4270 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [0,1,0,1,0,0|2,0,0]=4 4271 B11R1.29 C#CCCC(=O)C1=CCCC1 1458a_100000038896_100000753159 [0,1,0,1,0,0|1,0,1]=4 4272 B11R1.29 C/C=C/CC(=O)C1=CCCC1 1458a_100000038896_100102629194 [0,1,0,1,0,0|1,0,1]=4 4273 B11R1.29 C=CCCC(=O)C1=CCCC1 1458a_100000038896_100000754431 [0,1,0,1,0,0|1,0,1]=4 4274 B11R1.29 CC#CCC(=O)C1=CCCC1 1458a_100000038896_100000748600 [0,1,0,1,0,0|1,0,1]=4 4275 B11R1.29 CC=CCC(=O)C1=CCCC1 1458a_100000038896_100000070051 [0,1,0,1,0,0|1,0,1]=4 4276 B11R1.29 CCCCC(=O)C1=CCCC1 1458a_100000038896_100000210211 [0,1,0,1,0,0|1,0,0]=3 4277 B11R1.29 CCCCC(=O)C1=CCOC1 1458a_100000139269_100000210211 [0,1,0,1,0,0|2,0,0]=4 4278 B11R1.29 CCCCC(=O)C1=COCC1 1458a_100000750620_100000210211 [0,1,0,1,0,0|2,0,0]=4 4279 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [0,1,0,1,0,0|1,0,1]=4 4280 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [0,1,0,1,0,0|1,0,1]=4 4281 B11R1.29 CCCCC(=O)C1CCCS1 1458a_100012002731_100000210211 [0,1,0,1,0,0|0,1,1]=4 4282 B11R1.29 CCCCC(=O)N1CCCC1 240690a_100000188435_100000210183 [0,1,0,1,0,0|2,0,0]=4 4283 B11R1.29 CCCCC(=O)N1CCCC1 527a_100000188435_100000210183 [0,1,0,1,0,0|2,0,0]=4 4284 B11R1.29 CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210211 [0,1,0,1,0,0|0,0,2]=4 4285 B11R1.29 CCCNC(=O)C1=CCCC1 11a_100020643023_100000038896 [0,1,0,1,0,0|1,0,0]=3 4286 B11R1.29 CCCNC(=O)C1=CCCC1 1626a_100020643023_100000038896 [0,1,0,1,0,0|1,0,0]=3 4287 B11R1.29 CCCNC(=O)C1=CCCC1 240690a_100020643023_100000038896 [0,1,0,1,0,0|1,0,0]=3 4288 B11R1.29 CCCNC(=O)C1=CCOC1 11a_100020643023_100000139269 [0,1,0,1,0,0|2,0,0]=4 4289 B11R1.29 CCCNC(=O)C1=CCOC1 1626a_100020643023_100000139269 [0,1,0,1,0,0|2,0,0]=4 4290 B11R1.29 CCCNC(=O)C1=CCOC1 240690a_100020643023_100000139269 [0,1,0,1,0,0|2,0,0]=4 4291 B11R1.29 CCCNC(=O)C1=COCC1 1626a_100020643023_100000750620 [0,1,0,1,0,0|2,0,0]=4 4292 B11R1.29 CCCNC(=O)C1=COCC1 240690a_100020643023_100000750620 [0,1,0,1,0,0|2,0,0]=4 4293 B11R1.29 CCCNC(=O)C1CCCC1 11a_100020643023_100000210718 [0,1,0,1,0,0|1,0,1]=4 4294 B11R1.29 CCCNC(=O)C1CCCC1 1626a_100020643023_100000210718 [0,1,0,1,0,0|1,0,1]=4 4295 B11R1.29 CCCNC(=O)C1CCCC1 240690a_100020643023_100000210718 [0,1,0,1,0,0|1,0,1]=4 4296 B11R1.29 CCCNC(=O)C1CCCC1 527a_100020643023_100000210718 [0,1,0,1,0,0|1,0,1]=4 4297 B11R1.29 CCCNC(=O)C1CCCS1 11a_100020643023_100012002731 [0,1,0,1,0,0|0,1,1]=4 4298 B11R1.29 CCCNC(=O)C1CCCS1 1626a_100020643023_100012002731 [0,1,0,1,0,0|0,1,1]=4 4299 B11R1.29 CCCNC(=O)C1CCCS1 240690a_100020643023_100012002731 [0,1,0,1,0,0|0,1,1]=4 4300 B11R1.29 CCCNC(=O)C1CCCS1 527a_100020643023_100012002731 [0,1,0,1,0,0|0,1,1]=4 4301 B11R1.29 CCCNC(=O)N1CCCC1 2708a_100020643023_100000188435 [0,1,0,1,0,0|2,0,0]=4 4302 B11R1.29 CCCNC(=O)N1CCCC1 273464a_100020643023_100000188435 [0,1,0,1,0,0|2,0,0]=4 4303 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 11a_100020643023_100000686382 [0,1,0,1,0,0|0,0,2]=4 4304 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 1626a_100020643023_100000686382 [0,1,0,1,0,0|0,0,2]=4 4305 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 240690a_100020643023_100000686382 [0,1,0,1,0,0|0,0,2]=4 4306 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 527a_100020643023_100000686382 [0,1,0,1,0,0|0,0,2]=4 4307 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100000751844_100000210202 [0,1,0,1,0,0|2,0,0]=4 4308 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100015525214_100000183516 [0,1,0,1,0,0|2,0,0]=4 4309 B11R1.29 CCNNC(=O)C1=CCCC1 22a_100000756455_100000038896 [0,1,0,1,0,0|2,0,0]=4 4310 B11R1.29 CCOCC(=O)C1CCCC1 1458a_100000211967_100000179811 [0,1,0,1,0,0|1,0,1]=4 4311 B11R1.29 CCOCC(=O)N1CCCC1 240690a_100000188435_100000211967 [0,1,0,1,0,0|2,0,0]=4 4312 B11R1.29 CCOCC(=O)N1CCCC1 34a_100121572206_100000183516 [0,1,0,1,0,0|2,0,0]=4 4313 B11R1.29 CCOCC(=O)N1CCCC1 527a_100000188435_100000211967 [0,1,0,1,0,0|2,0,0]=4 4314 B11R1.29 CCOCC(=O)N1CCCC1 7a_200000752455_100000210202 [0,1,0,1,0,0|2,0,0]=4 4315 B11R1.29 CCSCC(=O)C1CCCC1 1458a_100000230394_100000179811 [0,1,0,1,0,0|1,0,1]=4 4316 B11R1.29 CCSCC(=O)N1CCCC1 240690a_100000188435_100000230394 [0,1,0,1,0,0|2,0,0]=4 4317 B11R1.29 CCSCC(=O)N1CCCC1 527a_100000188435_100000230394 [0,1,0,1,0,0|2,0,0]=4 4318 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000183516_100000210202 [0,1,0,1,0,0|2,0,0]=4 4319 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000210202_100000183516 [0,1,0,1,0,0|2,0,0]=4 4320 B11R1.29 CNCCC(=O)N1CCCC1 2230a_106832991635_100011194422 [0,1,0,1,0,0|2,0,0]=4 4321 B11R1.29 CNCCC(=O)N1CCCC1 34a_100102657272_100011194422 [0,1,0,1,0,0|2,0,0]=4 4322 B11R1.29 CNCCC(=O)N1CCCC1 7a_106832991635_100011194422 [0,1,0,1,0,0|2,0,0]=4 4323 B11R1.29 COCCC(=O)C1=CCCC1 1458a_100000038896_100000233755 [0,1,0,1,0,0|1,0,0]=3 4324 B11R1.29 COCCC(=O)C1=CCOC1 1458a_100000139269_100000233755 [0,1,0,1,0,0|2,0,0]=4 4325 B11R1.29 COCCC(=O)C1=COCC1 1458a_100000750620_100000233755 [0,1,0,1,0,0|2,0,0]=4 4326 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000210718_100000233755 [0,1,0,1,0,0|1,0,1]=4 4327 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000749529_100000179811 [0,1,0,1,0,0|1,0,1]=4 4328 B11R1.29 COCCC(=O)C1CCCS1 1458a_100012002731_100000233755 [0,1,0,1,0,0|0,1,1]=4 4329 B11R1.29 COCCC(=O)N1CCCC1 240690a_100000188435_100000749529 [0,1,0,1,0,0|2,0,0]=4 4330 B11R1.29 COCCC(=O)N1CCCC1 34a_100138415774_100011194422 [0,1,0,1,0,0|2,0,0]=4 4331 B11R1.29 COCCC(=O)N1CCCC1 527a_100000188435_100000749529 [0,1,0,1,0,0|2,0,0]=4 4332 B11R1.29 COCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000233755 [0,1,0,1,0,0|0,0,2]=4 4333 B11R1.29 CSCCC(=O)C1=CCCC1 1458a_100000038896_100000751147 [0,1,0,1,0,0|1,0,0]=3 4334 B11R1.29 CSCCC(=O)C1=CCOC1 1458a_100000139269_100000751147 [0,1,0,1,0,0|2,0,0]=4 4335 B11R1.29 CSCCC(=O)C1=COCC1 1458a_100000750620_100000751147 [0,1,0,1,0,0|2,0,0]=4 4336 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000174002_100000179811 [0,1,0,1,0,0|1,0,1]=4 4337 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000210718_100000751147 [0,1,0,1,0,0|1,0,1]=4 4338 B11R1.29 CSCCC(=O)C1CCCS1 1458a_100012002731_100000751147 [0,1,0,1,0,0|0,1,1]=4 4339 B11R1.29 CSCCC(=O)N1CCCC1 240690a_100000188435_100000174002 [0,1,0,1,0,0|2,0,0]=4 4340 B11R1.29 CSCCC(=O)N1CCCC1 527a_100000188435_100000174002 [0,1,0,1,0,0|2,0,0]=4 4341 B11R1.29 CSCCC(=O)N1CCCC1 62a_100011194422_200000210301 [0,1,0,1,0,0|2,0,0]=4 4342 B11R1.29 CSCCC(=O)N1CCCC1 62a_200000210301_100011194422 [0,1,0,1,0,0|2,0,0]=4 4343 B11R1.29 CSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000751147 [0,1,0,1,0,0|0,0,2]=4 4344 B11R1.29 N#CCCC(=O)C1=CCCC1 1458a_100000038896_100011215226 [0,1,0,1,0,0|1,0,1]=4 4345 B11R1.29 O=C(CCCF)C1=CCCC1 1458a_100000038896_100011934791 [0,1,0,1,0,0|1,0,0]=3 4346 B11R1.29 O=C(CCCF)C1=CCOC1 1458a_100000139269_100011934791 [0,1,0,1,0,0|2,0,0]=4 4347 B11R1.29 O=C(CCCF)C1=COCC1 1458a_100000750620_100011934791 [0,1,0,1,0,0|2,0,0]=4 4348 B11R1.29 O=C(CCCF)C1CCCC1 1458a_100000210718_100011934791 [0,1,0,1,0,0|1,0,1]=4 4349 B11R1.29 O=C(CCCF)C1CCCS1 1458a_100012002731_100011934791 [0,1,0,1,0,0|0,1,1]=4 4350 B11R1.29 O=C(CCCF)[C@@H]1CCCO1 1458a_100000686382_100011934791 [0,1,0,1,0,0|0,0,2]=4 4351 B11R1.29 O=C(CCCO)C1=CCCC1 1458a_100000038896_100011215043 [0,1,0,1,0,0|1,0,0]=3 4352 B11R1.29 O=C(CCCO)C1=CCOC1 1458a_100000139269_100011215043 [0,1,0,1,0,0|2,0,0]=4 4353 B11R1.29 O=C(CCCO)C1=COCC1 1458a_100000750620_100011215043 [0,1,0,1,0,0|2,0,0]=4 4354 B11R1.29 O=C(CCCO)C1CCCC1 1458a_100000210718_100011215043 [0,1,0,1,0,0|1,0,1]=4 4355 B11R1.29 O=C(CCCO)C1CCCS1 1458a_100012002731_100011215043 [0,1,0,1,0,0|0,1,1]=4 4356 B11R1.29 O=C(CCCO)[C@@H]1CCCO1 1458a_100000686382_100011215043 [0,1,0,1,0,0|0,0,2]=4 4357 B11R1.29 O=C(NCCF)C1=CCCC1 11a_100000724931_100000038896 [0,1,0,1,0,0|2,0,0]=4 4358 B11R1.29 O=C(NCCF)C1=CCCC1 1626a_100000724931_100000038896 [0,1,0,1,0,0|2,0,0]=4 4359 B11R1.29 O=C(NCCF)C1=CCCC1 240690a_100000724931_100000038896 [0,1,0,1,0,0|2,0,0]=4 4360 B11R1.29 O=C(NCCO)C1=CCCC1 240690a_100000210304_100000038896 [0,1,0,1,0,0|2,0,0]=4 4361 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_100011194422_200025704644 [0,1,0,1,0,0|2,0,0]=4 4362 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_200025704644_100011194422 [0,1,0,1,0,0|2,0,0]=4 4363 B11R1.72 CCC1C(=O)N(CCN1C)C 2230a_100015184039_200000210301 [0,1,0,1,0,0|2,0,0]=4 4364 B11R1.72 CCC1C(=O)N(CCN1C)C 269982a_100015184039_200000210301 [0,1,0,1,0,0|2,0,0]=4 4365 B11R1.72 CCC1C(=O)N(CCN1C)C 34a_100015184039_200000210301 [0,1,0,1,0,0|2,0,0]=4 4366 B11R1.72 CCC1C(=O)N(CCN1[13CH3])C 2230a_100015184039_200025704644 [0,1,0,1,0,0|2,0,0]=4 4367 B11R1.72 CCC1C(=O)N(CCN1[13CH3])C 269982a_100015184039_200025704644 [0,1,0,1,0,0|2,0,0]=4 4368 B11R1.72 CCC1C(=O)N(CCN1[13CH3])C 34a_100015184039_200025704644 [0,1,0,1,0,0|2,0,0]=4 4369 B11R1.185 CCCN1CC(CC1=O)NC 2230a_100015185084_200000210301 [0,1,0,1,0,0|2,0,0]=4 4370 B11R1.185 CCCN1CC(CC1=O)NC 34a_100015185084_200000210301 [0,1,0,1,0,0|2,0,0]=4 4371 B11R1.185 CCCN1CC(CC1=O)N[13CH3] 2230a_100015185084_200025704644 [0,1,0,1,0,0|2,0,0]=4 4372 B11R1.185 CCCN1CC(CC1=O)N[13CH3] 34a_100015185084_200025704644 [0,1,0,1,0,0|2,0,0]=4 4373 B11R1.277 CCN1CC(=O)N(C[C@@H]1C)C 2230a_100016994881_100000210202 [0,1,0,1,0,0|2,0,0]=4 4374 B11R1.277 CCN1CC(=O)N(C[C@@H]1C)C 269982a_100016994881_100000204670 [0,1,0,1,0,0|2,0,0]=4 4375 B11R1.277 CCN1CC(=O)N(C[C@@H]1C)C 34a_100016994881_100000210202 [0,1,0,1,0,0|2,0,0]=4 4376 B11R1.282 CCC1CC1C(=O)CCCF 1458a_200011661523_100011934791 [0,1,0,1,0,0|1,0,1]=4 4377 B11R1.282 CCC1CC1C(=O)CCCO 1458a_200011661523_100011215043 [0,1,0,1,0,0|1,0,1]=4 4378 B11R1.282 CCC1CC1C(=O)CCOC 1458a_200011661523_100000233755 [0,1,0,1,0,0|1,0,1]=4 4379 B11R1.282 CCC1CC1C(=O)CCSC 1458a_200011661523_100000751147 [0,1,0,1,0,0|1,0,1]=4 4380 B11R1.282 CCCCC(=O)C1CC1CC 1458a_200011661523_100000210211 [0,1,0,1,0,0|1,0,1]=4 4381 B11R1.282 CCCNC(=O)C1CC1CC 11a_100020643023_200011661523 [0,1,0,1,0,0|1,0,1]=4 4382 B11R1.282 CCCNC(=O)C1CC1CC 1626a_100020643023_200011661523 [0,1,0,1,0,0|1,0,1]=4 4383 B11R1.282 CCCNC(=O)C1CC1CC 240690a_100020643023_200011661523 [0,1,0,1,0,0|1,0,1]=4 4384 B11R1.282 CCCNC(=O)C1CC1CC 527a_100020643023_200011661523 [0,1,0,1,0,0|1,0,1]=4 4385 B11R1.287 CC1CC(C1)C(=O)CCCF 1458a_100000686124_100011934791 [0,1,0,1,0,0|1,0,1]=4 4386 B11R1.287 CC1CC(C1)C(=O)CCCO 1458a_100000686124_100011215043 [0,1,0,1,0,0|1,0,1]=4 4387 B11R1.287 CCCCC(=O)C1CC(C1)C 1458a_100000686124_100000210211 [0,1,0,1,0,0|1,0,1]=4 4388 B11R1.287 CCCCC(=O)N1CC(C1)C 11a_100000702820_100000210183 [0,1,0,1,0,0|2,0,0]=4 4389 B11R1.287 CCCCC(=O)N1CC(C1)C 240690a_100000702820_100000210183 [0,1,0,1,0,0|2,0,0]=4 4390 B11R1.287 CCCCC(=O)N1CC(C1)C 527a_100000702820_100000210183 [0,1,0,1,0,0|2,0,0]=4 4391 B11R1.287 CCCNC(=O)C1CC(C1)C 11a_100020643023_100000686124 [0,1,0,1,0,0|1,0,1]=4 4392 B11R1.287 CCCNC(=O)C1CC(C1)C 1626a_100020643023_100000686124 [0,1,0,1,0,0|1,0,1]=4 4393 B11R1.287 CCCNC(=O)C1CC(C1)C 240690a_100020643023_100000686124 [0,1,0,1,0,0|1,0,1]=4 4394 B11R1.287 CCCNC(=O)C1CC(C1)C 527a_100020643023_100000686124 [0,1,0,1,0,0|1,0,1]=4 4395 B11R1.287 CCCNC(=O)N1CC(C1)C 2708a_100020643023_100000702820 [0,1,0,1,0,0|2,0,0]=4 4396 B11R1.287 CCCNC(=O)N1CC(C1)C 273464a_100020643023_100000702820 [0,1,0,1,0,0|2,0,0]=4 4397 B11R1.287 CCOCC(=O)N1CC(C1)C 11a_100000702820_100000211967 [0,1,0,1,0,0|2,0,0]=4 4398 B11R1.287 CCOCC(=O)N1CC(C1)C 240690a_100000702820_100000211967 [0,1,0,1,0,0|2,0,0]=4 4399 B11R1.287 CCOCC(=O)N1CC(C1)C 527a_100000702820_100000211967 [0,1,0,1,0,0|2,0,0]=4 4400 B11R1.287 CCSCC(=O)N1CC(C1)C 11a_100000702820_100000230394 [0,1,0,1,0,0|2,0,0]=4 4401 B11R1.287 CCSCC(=O)N1CC(C1)C 240690a_100000702820_100000230394 [0,1,0,1,0,0|2,0,0]=4 4402 B11R1.287 CCSCC(=O)N1CC(C1)C 527a_100000702820_100000230394 [0,1,0,1,0,0|2,0,0]=4 4403 B11R1.287 COCCC(=O)C1CC(C1)C 1458a_100000686124_100000233755 [0,1,0,1,0,0|1,0,1]=4 4404 B11R1.287 COCCC(=O)N1CC(C1)C 11a_100000702820_100000749529 [0,1,0,1,0,0|2,0,0]=4 4405 B11R1.287 COCCC(=O)N1CC(C1)C 240690a_100000702820_100000749529 [0,1,0,1,0,0|2,0,0]=4 4406 B11R1.287 COCCC(=O)N1CC(C1)C 527a_100000702820_100000749529 [0,1,0,1,0,0|2,0,0]=4 4407 B11R1.287 CSCCC(=O)C1CC(C1)C 1458a_100000686124_100000751147 [0,1,0,1,0,0|1,0,1]=4 4408 B11R1.287 CSCCC(=O)N1CC(C1)C 11a_100000702820_100000174002 [0,1,0,1,0,0|2,0,0]=4 4409 B11R1.287 CSCCC(=O)N1CC(C1)C 240690a_100000702820_100000174002 [0,1,0,1,0,0|2,0,0]=4 4410 B11R1.287 CSCCC(=O)N1CC(C1)C 527a_100000702820_100000174002 [0,1,0,1,0,0|2,0,0]=4 4411 B11R1.349 CC/C=C(\C)/C(=O)C1CCC1 1458a_100016988807_100000749161 [0,1,0,1,0,0|1,0,1]=4 4412 B11R1.349 CC/C=C(\C)/C(=O)C1COC1 1458a_100016988807_100000687716 [0,1,0,1,0,0|1,0,1]=4 4413 B11R1.349 CC/C=C(\C)/C(=O)N1CCC1 11a_100000754969_100016988807 [0,1,0,1,0,0|1,0,1]=4 4414 B11R1.349 CC/C=C(\C)/C(=O)N1CCC1 240690a_100000754969_100016988807 [0,1,0,1,0,0|1,0,1]=4 4415 B11R1.349 CC/C=C(\C)/C(=O)N1CCC1 527a_100000754969_100016988807 [0,1,0,1,0,0|1,0,1]=4 4416 B11R1.349 CCCC(=O)N(C)C1CCC1 11a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 4417 B11R1.349 CCCC(=O)N(C)C1CCC1 1626a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 4418 B11R1.349 CCCC(=O)N(C)C1CCC1 240690a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 4419 B11R1.349 CCCC(=O)N(C)C1CCC1 527a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 4420 B11R1.349 CCCC(=O)N(C)C1COC1 11a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 4421 B11R1.349 CCCC(=O)N(C)C1COC1 1626a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 4422 B11R1.349 CCCC(=O)N(C)C1COC1 240690a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 4423 B11R1.349 CCCC(=O)N(C)C1COC1 527a_100102693430_100000211992 [0,1,0,1,0,0|2,0,0]=4 4424 B11R1.349 CCCC(C)C(=O)C1CCC1 1458a_100000209988_100000766640 [0,1,0,1,0,0|1,0,1]=4 4425 B11R1.349 CCCC(C)C(=O)C1CCC1 1458a_100000210906_100000749161 [0,1,0,1,0,0|1,0,1]=4 4426 B11R1.349 CCCC(C)C(=O)C1CCO1 1458a_100000089072_100000766640 [0,1,0,1,0,0|1,0,1]=4 4427 B11R1.349 CCCC(C)C(=O)C1COC1 1458a_100000210906_100000687716 [0,1,0,1,0,0|1,0,1]=4 4428 B11R1.349 CCCC(C)C(=O)C1COC1 1458a_100000758290_100000766640 [0,1,0,1,0,0|1,0,1]=4 4429 B11R1.349 CCCC(C)C(=O)N1CCC1 11a_100000754969_100000210906 [0,1,0,1,0,0|1,0,1]=4 4430 B11R1.349 CCCC(C)C(=O)N1CCC1 240690a_100000754969_100000210906 [0,1,0,1,0,0|1,0,1]=4 4431 B11R1.349 CCCC(C)C(=O)N1CCC1 527a_100000754969_100000210906 [0,1,0,1,0,0|1,0,1]=4 4432 B11R1.349 CCCN(C)C(=O)C1CCC1 11a_100000747261_100000209988 [0,1,0,1,0,0|2,0,0]=4 4433 B11R1.349 CCCN(C)C(=O)C1CCC1 1626a_100000747261_100000209988 [0,1,0,1,0,0|2,0,0]=4 4434 B11R1.349 CCCN(C)C(=O)C1CCC1 240690a_100000747261_100000209988 [0,1,0,1,0,0|2,0,0]=4 4435 B11R1.349 CCCN(C)C(=O)C1CCC1 527a_100000747261_100000209988 [0,1,0,1,0,0|2,0,0]=4 4436 B11R1.349 CCCN(C)C(=O)C1CCO1 11a_100000747261_100000089072 [0,1,0,1,0,0|2,0,0]=4 4437 B11R1.349 CCCN(C)C(=O)C1CCO1 1626a_100000747261_100000089072 [0,1,0,1,0,0|2,0,0]=4 4438 B11R1.349 CCCN(C)C(=O)C1CCO1 240690a_100000747261_100000089072 [0,1,0,1,0,0|2,0,0]=4 4439 B11R1.349 CCCN(C)C(=O)C1CCO1 527a_100000747261_100000089072 [0,1,0,1,0,0|2,0,0]=4 4440 B11R1.349 CCCN(C)C(=O)C1COC1 11a_100000747261_100000758290 [0,1,0,1,0,0|2,0,0]=4 4441 B11R1.349 CCCN(C)C(=O)C1COC1 1626a_100000747261_100000758290 [0,1,0,1,0,0|2,0,0]=4 4442 B11R1.349 CCCN(C)C(=O)C1COC1 240690a_100000747261_100000758290 [0,1,0,1,0,0|2,0,0]=4 4443 B11R1.349 CCCN(C)C(=O)C1COC1 527a_100000747261_100000758290 [0,1,0,1,0,0|2,0,0]=4 4444 B11R1.349 CCC[C@H](O)C(=O)C1CCC1 1458a_100009822183_100000749161 [0,1,0,1,0,0|0,0,2]=4 4445 B11R1.349 CCC[C@H](O)C(=O)C1COC1 1458a_100009822183_100000687716 [0,1,0,1,0,0|0,0,2]=4 4446 B11R1.349 CCC[C@H](O)C(=O)N1CCC1 240690a_100000754969_100009822183 [0,1,0,1,0,0|0,0,2]=4 4447 B11R1.349 CCNC(=O)C(=O)C1CCC1 1458a_200011297158_100000749161 [0,1,0,1,0,0|1,0,0]=3 4448 B11R1.349 CCNC(=O)C(=O)C1COC1 1458a_200011297158_100000687716 [0,1,0,1,0,0|1,0,0]=3 4449 B11R1.349 CCNC(=O)C(=O)N1CCC1 240690a_100000754969_200011297158 [0,1,0,1,0,0|1,0,0]=3 4450 B11R1.349 CCNC(=O)C(=O)N1CCC1 527a_100000754969_200011297158 [0,1,0,1,0,0|1,0,0]=3 4451 B11R1.349 CCOC(=O)C(=O)N1CCC1 11a_100000754969_100014798877 [0,1,0,1,0,0|1,0,0]=3 4452 B11R1.349 CCOC(=O)C(=O)N1CCC1 240690a_100000754969_100014798877 [0,1,0,1,0,0|1,0,0]=3 4453 B11R1.351 C#CCC(=O)C(=O)NC1CC1 1458a_100000756273_100000184674 [0,1,0,1,0,0|0,0,2]=4 4454 B11R1.351 C=CCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210623 [0,1,0,1,0,0|0,0,2]=4 4455 B11R1.351 CC/C=C(\C)/C(=O)CC1CC1 1458a_100016988807_100000742324 [0,1,0,1,0,0|1,0,1]=4 4456 B11R1.351 CC/C=C(\C)/C(=O)CC1CO1 1458a_100016988807_100011216344 [0,1,0,1,0,0|1,0,1]=4 4457 B11R1.351 CC/C=C(\C)/C(=O)CC1CS1 1458a_100016988807_100000031435 [0,1,0,1,0,0|1,0,1]=4 4458 B11R1.351 CC/C=C(\C)/C(=O)C[C@@H]1CO1 1458a_100016988807_100000745022 [0,1,0,1,0,0|1,0,1]=4 4459 B11R1.351 CC/C=C(\C)/C(=O)NC1CC1 1626a_100000212008_100016988807 [0,1,0,1,0,0|1,0,1]=4 4460 B11R1.351 CC/C=C(\C)/C(=O)NC1CC1 240690a_100000212008_100016988807 [0,1,0,1,0,0|1,0,1]=4 4461 B11R1.351 CC/C=C(\C)/C(=O)NC1CC1 527a_100000212008_100016988807 [0,1,0,1,0,0|1,0,1]=4 4462 B11R1.351 CCCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210303 [0,1,0,1,0,0|0,0,0]=2 4463 B11R1.351 CCCC(=O)N(C)CC1CC1 11a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 4464 B11R1.351 CCCC(=O)N(C)CC1CC1 1626a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 4465 B11R1.351 CCCC(=O)N(C)CC1CC1 240690a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 4466 B11R1.351 CCCC(=O)N(C)CC1CC1 527a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 4467 B11R1.351 CCCC(C)C(=O)CC1CC1 1458a_100000210906_100000742324 [0,1,0,1,0,0|1,0,1]=4 4468 B11R1.351 CCCC(C)C(=O)CC1CC1 1458a_100000738066_100000766640 [0,1,0,1,0,0|1,0,1]=4 4469 B11R1.351 CCCC(C)C(=O)CC1CO1 1458a_100000210906_100011216344 [0,1,0,1,0,0|1,0,1]=4 4470 B11R1.351 CCCC(C)C(=O)CC1CS1 1458a_100000210906_100000031435 [0,1,0,1,0,0|1,0,1]=4 4471 B11R1.351 CCCC(C)C(=O)C[C@@H]1CO1 1458a_100000210906_100000745022 [0,1,0,1,0,0|1,0,1]=4 4472 B11R1.351 CCCC(C)C(=O)NC1CC1 1626a_100000212008_100000210906 [0,1,0,1,0,0|1,0,1]=4 4473 B11R1.351 CCCC(C)C(=O)NC1CC1 240690a_100000212008_100000210906 [0,1,0,1,0,0|1,0,1]=4 4474 B11R1.351 CCCC(C)C(=O)NC1CC1 527a_100000212008_100000210906 [0,1,0,1,0,0|1,0,1]=4 4475 B11R1.351 CCCN(C)C(=O)CC1CC1 11a_100000747261_100000738066 [0,1,0,1,0,0|2,0,0]=4 4476 B11R1.351 CCCN(C)C(=O)CC1CC1 1626a_100000747261_100000738066 [0,1,0,1,0,0|2,0,0]=4 4477 B11R1.351 CCCN(C)C(=O)CC1CC1 240690a_100000747261_100000738066 [0,1,0,1,0,0|2,0,0]=4 4478 B11R1.351 CCCN(C)C(=O)CC1CC1 527a_100000747261_100000738066 [0,1,0,1,0,0|2,0,0]=4 4479 B11R1.351 CCCN(C)C(=O)NC1CC1 2708a_100000212008_100000747261 [0,1,0,1,0,0|2,0,0]=4 4480 B11R1.351 CCCN(C)C(=O)NC1CC1 273464a_100000212008_100000747261 [0,1,0,1,0,0|2,0,0]=4 4481 B11R1.351 CCC[C@H](O)C(=O)CC1CC1 1458a_100009822183_100000742324 [0,1,0,1,0,0|0,0,2]=4 4482 B11R1.351 CCC[C@H](O)C(=O)CC1CO1 1458a_100009822183_100011216344 [0,1,0,1,0,0|0,0,2]=4 4483 B11R1.351 CCC[C@H](O)C(=O)CC1CS1 1458a_100009822183_100000031435 [0,1,0,1,0,0|0,0,2]=4 4484 B11R1.351 CCC[C@H](O)C(=O)C[C@@H]1CO1 1458a_100009822183_100000745022 [0,1,0,1,0,0|0,0,2]=4 4485 B11R1.351 CCC[C@H](O)C(=O)NC1CC1 240690a_100000212008_100009822183 [0,1,0,1,0,0|0,0,2]=4 4486 B11R1.351 CCNC(=O)C(=O)CC1CC1 1458a_200011297158_100000742324 [0,1,0,1,0,0|1,0,0]=3 4487 B11R1.351 CCNC(=O)C(=O)CC1CO1 1458a_200011297158_100011216344 [0,1,0,1,0,0|1,0,0]=3 4488 B11R1.351 CCNC(=O)C(=O)CC1CS1 1458a_200011297158_100000031435 [0,1,0,1,0,0|1,0,0]=3 4489 B11R1.351 CCNC(=O)C(=O)C[C@@H]1CO1 1458a_200011297158_100000745022 [0,1,0,1,0,0|1,0,0]=3 4490 B11R1.351 CCNC(=O)C(=O)NC1CC1 1626a_100000212008_200011297158 [0,1,0,1,0,0|1,0,0]=3 4491 B11R1.351 CCNC(=O)C(=O)NC1CC1 240690a_100000212008_200011297158 [0,1,0,1,0,0|1,0,0]=3 4492 B11R1.351 CCNC(=O)C(=O)NC1CC1 240690a_100015525214_100000756273 [0,1,0,1,0,0|1,0,0]=3 4493 B11R1.351 CCNC(=O)C(=O)NC1CC1 527a_100000212008_200011297158 [0,1,0,1,0,0|1,0,0]=3 4494 B11R1.351 CCOC(=O)C(=O)NC1CC1 1626a_100000212008_100014798877 [0,1,0,1,0,0|1,0,0]=3 4495 B11R1.351 CCOC(=O)C(=O)NC1CC1 240690a_100000212008_100014798877 [0,1,0,1,0,0|1,0,0]=3 4496 B11R1.351 CNNC(=O)C(=O)NC1CC1 22a_100016993582_100000756273 [0,1,0,1,0,0|2,0,0]=4 4497 B11R1.351 N#CCC(=O)C(=O)NC1CC1 1458a_100000756273_100011214920 [0,1,0,1,0,0|1,0,1]=4 4498 B11R1.351 O=C(CCF)C(=O)NC1CC1 1458a_100000756273_100011217306 [0,1,0,1,0,0|1,0,0]=3 4499 B11R1.351 O=C(CCO)C(=O)NC1CC1 1458a_100000756273_100000211926 [0,1,0,1,0,0|1,0,0]=3 4500 B11R1.384 CCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210202 [0,1,0,1,0,0|2,0,0]=4 4501 B11R1.384 CCN1CCCN(C(=O)C1)C 269982a_100000709885_100000204670 [0,1,0,1,0,0|2,0,0]=4 4502 B11R1.384 CCN1CCCN(C(=O)C1)C 34a_100000709885_100000210202 [0,1,0,1,0,0|2,0,0]=4 4503 B11R1.526 CCCCC(=O)N(C)C1CC1 11a_100000226674_100000210183 [0,1,0,1,0,0|2,0,0]=4 4504 B11R1.526 CCCCC(=O)N(C)C1CC1 1626a_100000226674_100000210183 [0,1,0,1,0,0|2,0,0]=4 4505 B11R1.526 CCCCC(=O)N(C)C1CC1 240690a_100000226674_100000210183 [0,1,0,1,0,0|2,0,0]=4 4506 B11R1.526 CCCCC(=O)N(C)C1CC1 527a_100000226674_100000210183 [0,1,0,1,0,0|2,0,0]=4 4507 B11R1.526 CCCCC(C)C(=O)C1CC1 1458a_100000210395_200011215066 [0,1,0,1,0,0|1,0,1]=4 4508 B11R1.526 CCCCN(C)C(=O)C1CC1 11a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 4509 B11R1.526 CCCCN(C)C(=O)C1CC1 1626a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 4510 B11R1.526 CCCCN(C)C(=O)C1CC1 240690a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 4511 B11R1.526 CCCCN(C)C(=O)C1CC1 527a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 4512 B11R1.526 CCCNC(=O)N(C)C1CC1 2708a_100020643023_100000226674 [0,1,0,1,0,0|2,0,0]=4 4513 B11R1.526 CCCNC(=O)N(C)C1CC1 273464a_100020643023_100000226674 [0,1,0,1,0,0|2,0,0]=4 4514 B11R1.526 CCOCC(=O)N(C)C1CC1 11a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 4515 B11R1.526 CCOCC(=O)N(C)C1CC1 1626a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 4516 B11R1.526 CCOCC(=O)N(C)C1CC1 240690a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 4517 B11R1.526 CCOCC(=O)N(C)C1CC1 527a_100000226674_100000211967 [0,1,0,1,0,0|2,0,0]=4 4518 B11R1.526 CCSCC(=O)N(C)C1CC1 11a_100000226674_100000230394 [0,1,0,1,0,0|2,0,0]=4 4519 B11R1.526 CCSCC(=O)N(C)C1CC1 1626a_100000226674_100000230394 [0,1,0,1,0,0|2,0,0]=4 4520 B11R1.526 CCSCC(=O)N(C)C1CC1 240690a_100000226674_100000230394 [0,1,0,1,0,0|2,0,0]=4 4521 B11R1.526 CCSCC(=O)N(C)C1CC1 527a_100000226674_100000230394 [0,1,0,1,0,0|2,0,0]=4 4522 B11R1.526 CN(CCCO)C(=O)C1CC1 240690a_100000213112_100000210395 [0,1,0,1,0,0|2,0,0]=4 4523 B11R1.526 CN(CCCO)C(=O)C1CC1 527a_100000213112_100000210395 [0,1,0,1,0,0|2,0,0]=4 4524 B11R1.526 COCCC(=O)N(C)C1CC1 11a_100000226674_100000749529 [0,1,0,1,0,0|2,0,0]=4 4525 B11R1.526 COCCC(=O)N(C)C1CC1 1626a_100000226674_100000749529 [0,1,0,1,0,0|2,0,0]=4 4526 B11R1.526 COCCC(=O)N(C)C1CC1 240690a_100000226674_100000749529 [0,1,0,1,0,0|2,0,0]=4 4527 B11R1.526 COCCC(=O)N(C)C1CC1 527a_100000226674_100000749529 [0,1,0,1,0,0|2,0,0]=4 4528 B11R1.526 COCCN(C)C(=O)C1CC1 11a_100000743101_100000210395 [0,1,0,1,0,0|2,0,0]=4 4529 B11R1.526 COCCN(C)C(=O)C1CC1 1626a_100000743101_100000210395 [0,1,0,1,0,0|2,0,0]=4 4530 B11R1.526 COCCN(C)C(=O)C1CC1 240690a_100000743101_100000210395 [0,1,0,1,0,0|2,0,0]=4 4531 B11R1.526 COCCN(C)C(=O)C1CC1 527a_100000743101_100000210395 [0,1,0,1,0,0|2,0,0]=4 4532 B11R1.526 CSCCC(=O)N(C)C1CC1 11a_100000226674_100000174002 [0,1,0,1,0,0|2,0,0]=4 4533 B11R1.526 CSCCC(=O)N(C)C1CC1 1626a_100000226674_100000174002 [0,1,0,1,0,0|2,0,0]=4 4534 B11R1.526 CSCCC(=O)N(C)C1CC1 240690a_100000226674_100000174002 [0,1,0,1,0,0|2,0,0]=4 4535 B11R1.526 CSCCC(=O)N(C)C1CC1 527a_100000226674_100000174002 [0,1,0,1,0,0|2,0,0]=4 4536 B11R1.526 CSCCN(C)C(=O)C1CC1 11a_100000686725_100000210395 [0,1,0,1,0,0|2,0,0]=4 4537 B11R1.526 CSCCN(C)C(=O)C1CC1 1626a_100000686725_100000210395 [0,1,0,1,0,0|2,0,0]=4 4538 B11R1.526 CSCCN(C)C(=O)C1CC1 240690a_100000686725_100000210395 [0,1,0,1,0,0|2,0,0]=4 4539 B11R1.526 CSCCN(C)C(=O)C1CC1 527a_100000686725_100000210395 [0,1,0,1,0,0|2,0,0]=4 4540 B11R1.819 CCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210303 [0,1,0,1,0,0|1,0,1]=4 4541 B11R1.819 CCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210303 [0,1,0,1,0,0|0,0,2]=4 4542 B11R1.819 CCCC(=O)C1(CCCO1)C 1458a_100000684770_100000210303 [0,1,0,1,0,0|0,0,2]=4 4543 B11R1.822 CCCC(=O)C1CC(C1)CO 1458a_206645079618_100000210303 [0,1,0,1,0,0|1,0,1]=4 4544 B11R1.822 CCCC(=O)C1CC(C1)OC 1458a_100011999411_100000210303 [0,1,0,1,0,0|1,0,1]=4 4545 B11R1.822 CCCC(=O)N1CC(C1)CC 11a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 4546 B11R1.822 CCCC(=O)N1CC(C1)CC 1626a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 4547 B11R1.822 CCCC(=O)N1CC(C1)CC 240690a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 4548 B11R1.822 CCCC(=O)N1CC(C1)CC 527a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 4549 B11R1.822 CCCC(=O)N1CC(C1)CF 11a_100010363649_100000211992 [0,1,0,1,0,0|2,0,0]=4 4550 B11R1.822 CCCC(=O)N1CC(C1)CF 240690a_100010363649_100000211992 [0,1,0,1,0,0|2,0,0]=4 4551 B11R1.822 CCCC(=O)N1CC(C1)CF 527a_100010363649_100000211992 [0,1,0,1,0,0|2,0,0]=4 4552 B11R1.822 CCCC(=O)N1CC(C1)CO 240690a_100016987283_100000211992 [0,1,0,1,0,0|2,0,0]=4 4553 B11R1.822 CCCC(=O)N1CC(C1)CO 527a_100016987283_100000211992 [0,1,0,1,0,0|2,0,0]=4 4554 B11R1.822 CCCC(=O)N1CC(C1)OC 11a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 4555 B11R1.822 CCCC(=O)N1CC(C1)OC 1626a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 4556 B11R1.822 CCCC(=O)N1CC(C1)OC 240690a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 4557 B11R1.822 CCCC(=O)N1CC(C1)OC 527a_100000755009_100000211992 [0,1,0,1,0,0|2,0,0]=4 4558 B11R1.822 CCCC(=O)N1CC(C1)SC 11a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 4559 B11R1.822 CCCC(=O)N1CC(C1)SC 1626a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 4560 B11R1.822 CCCC(=O)N1CC(C1)SC 240690a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 4561 B11R1.822 CCCC(=O)N1CC(C1)SC 527a_100016990038_100000211992 [0,1,0,1,0,0|2,0,0]=4 4562 B11R1.996 CC1(CCC1)C(=O)CCCF 1458a_100000684636_100011934791 [0,1,0,1,0,0|1,0,1]=4 4563 B11R1.996 CC1(CCC1)C(=O)CCCO 1458a_100000684636_100011215043 [0,1,0,1,0,0|1,0,1]=4 4564 B11R1.996 CCCCC(=O)C1(CCC1)C 1458a_100000684636_100000210211 [0,1,0,1,0,0|1,0,1]=4 4565 B11R1.996 CCCCC(=O)C1(CCC1)O 1458a_100000242746_100000210211 [0,1,0,1,0,0|0,0,2]=4 4566 B11R1.996 CCCNC(=O)C1(CCC1)C 11a_100020643023_100000684636 [0,1,0,1,0,0|1,0,1]=4 4567 B11R1.996 CCCNC(=O)C1(CCC1)C 1626a_100020643023_100000684636 [0,1,0,1,0,0|1,0,1]=4 4568 B11R1.996 CCCNC(=O)C1(CCC1)C 240690a_100020643023_100000684636 [0,1,0,1,0,0|1,0,1]=4 4569 B11R1.996 CCCNC(=O)C1(CCC1)C 527a_100020643023_100000684636 [0,1,0,1,0,0|1,0,1]=4 4570 B11R1.996 CCCNC(=O)C1(CCC1)O 240690a_100020643023_100000242746 [0,1,0,1,0,0|0,0,2]=4 4571 B11R1.996 COCCC(=O)C1(CCC1)C 1458a_100000684636_100000233755 [0,1,0,1,0,0|1,0,1]=4 4572 B11R1.996 COCCC(=O)C1(CCC1)O 1458a_100000242746_100000233755 [0,1,0,1,0,0|0,0,2]=4 4573 B11R1.996 CSCCC(=O)C1(CCC1)C 1458a_100000684636_100000751147 [0,1,0,1,0,0|1,0,1]=4 4574 B11R1.996 CSCCC(=O)C1(CCC1)O 1458a_100000242746_100000751147 [0,1,0,1,0,0|0,0,2]=4 4575 B11R1.996 O=C(CCCF)C1(CCC1)O 1458a_100000242746_100011934791 [0,1,0,1,0,0|0,0,2]=4 4576 B11R1.996 O=C(CCCO)C1(CCC1)O 1458a_100000242746_100011215043 [0,1,0,1,0,0|0,0,2]=4 4577 B11R1.1460 CCCC(C)C(=O)C1CC1C 1458a_100000211227_100000766640 [0,1,0,1,0,0|1,0,1]=4 4578 B11R1.1460 CCCC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000766640 [0,1,0,1,0,0|1,0,1]=4 4579 B11R1.1460 CCCN(C)C(=O)C1CC1C 11a_100000747261_100000211227 [0,1,0,1,0,0|2,0,0]=4 4580 B11R1.1460 CCCN(C)C(=O)C1CC1C 1626a_100000747261_100000211227 [0,1,0,1,0,0|2,0,0]=4 4581 B11R1.1460 CCCN(C)C(=O)C1CC1C 527a_100000747261_100000211227 [0,1,0,1,0,0|2,0,0]=4 4582 B11R1.1460 CCCN(C)C(=O)[C@@H]1C[C@@H]1F 11a_100000747261_100015396687 [0,1,0,1,0,0|2,0,0]=4 4583 B11R1.1460 CCCN(C)C(=O)[C@@H]1C[C@@H]1F 240690a_100000747261_100015396687 [0,1,0,1,0,0|2,0,0]=4 4584 B11R1.1460 CCCN(C)C(=O)[C@@H]1C[C@@H]1F 527a_100000747261_100015396687 [0,1,0,1,0,0|2,0,0]=4 4585 B11R1.77 C=C(C)CC(=O)C1=CCCC1 1458a_100000038896_100000748629 [0,1,0,1,0,0|1,0,1]=4 4586 B11R1.77 CC(C)CC(=O)C1=CCCC1 1458a_100000038896_100000210624 [0,1,0,1,0,0|1,0,0]=3 4587 B11R1.77 CC(C)CC(=O)C1=CCOC1 1458a_100000139269_100000210624 [0,1,0,1,0,0|2,0,0]=4 4588 B11R1.77 CC(C)CC(=O)C1=COCC1 1458a_100000750620_100000210624 [0,1,0,1,0,0|2,0,0]=4 4589 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210554_100000179811 [0,1,0,1,0,0|1,0,1]=4 4590 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210718_100000210624 [0,1,0,1,0,0|1,0,1]=4 4591 B11R1.77 CC(C)CC(=O)C1CCCS1 1458a_100012002731_100000210624 [0,1,0,1,0,0|0,1,1]=4 4592 B11R1.77 CC(C)CC(=O)N1CCCC1 240690a_100000188435_100000210554 [0,1,0,1,0,0|2,0,0]=4 4593 B11R1.77 CC(C)CC(=O)N1CCCC1 527a_100000188435_100000210554 [0,1,0,1,0,0|2,0,0]=4 4594 B11R1.77 CC(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210624 [0,1,0,1,0,0|0,0,2]=4 4595 B11R1.77 CC(C)NC(=O)C1=CCCC1 11a_100138425928_100000038896 [0,1,0,1,0,0|2,0,0]=4 4596 B11R1.77 CC(C)NC(=O)C1=CCCC1 1626a_100138425928_100000038896 [0,1,0,1,0,0|2,0,0]=4 4597 B11R1.77 CC(C)NC(=O)C1=CCCC1 240690a_100138425928_100000038896 [0,1,0,1,0,0|2,0,0]=4 4598 B11R1.77 CC(O)CC(=O)C1=CCCC1 1458a_100000038896_100011218427 [0,1,0,1,0,0|1,0,0]=3 4599 B11R1.77 CC(O)CC(=O)C1=CCOC1 1458a_100000139269_100011218427 [0,1,0,1,0,0|2,0,0]=4 4600 B11R1.77 CC(O)CC(=O)C1=COCC1 1458a_100000750620_100011218427 [0,1,0,1,0,0|2,0,0]=4 4601 B11R1.77 CC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218427 [0,1,0,1,0,0|1,0,1]=4 4602 B11R1.77 CC(O)CC(=O)C1CCCS1 1458a_100012002731_100011218427 [0,1,0,1,0,0|0,1,1]=4 4603 B11R1.77 CC(O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011218427 [0,1,0,1,0,0|0,0,2]=4 4604 B11R1.77 C[C@@H](O)CC(=O)C1CCCC1 1458a_100011933948_100000179811 [0,1,0,1,0,0|1,0,1]=4 4605 B11R1.77 C[C@@H](O)CC(=O)N1CCCC1 240690a_100000188435_100011933948 [0,1,0,1,0,0|2,0,0]=4 4606 B11R1.77 O=C(CC(F)F)C1=CCCC1 1458a_100000038896_100011934356 [0,1,0,1,0,0|2,0,0]=4 4607 B11R1.152 CC(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000210624 [0,1,0,1,0,0|1,0,1]=4 4608 B11R1.152 CC(C)CC(=O)N1CC(C1)C 11a_100000702820_100000210554 [0,1,0,1,0,0|2,0,0]=4 4609 B11R1.152 CC(C)CC(=O)N1CC(C1)C 240690a_100000702820_100000210554 [0,1,0,1,0,0|2,0,0]=4 4610 B11R1.152 CC(C)CC(=O)N1CC(C1)C 527a_100000702820_100000210554 [0,1,0,1,0,0|2,0,0]=4 4611 B11R1.152 CC(O)CC(=O)C1CC(C1)C 1458a_100000686124_100011218427 [0,1,0,1,0,0|1,0,1]=4 4612 B11R1.152 CC1CN(C1)C(=O)C[C@@H](C)O 240690a_100000702820_100011933948 [0,1,0,1,0,0|2,0,0]=4 4613 B11R1.257 CCC1CC1C(=O)CC(C)C 1458a_200011661523_100000210624 [0,1,0,1,0,0|1,0,1]=4 4614 B11R1.257 CCC1CC1C(=O)CC(C)O 1458a_200011661523_100011218427 [0,1,0,1,0,0|1,0,1]=4 4615 B11R1.719 CC(C)CC(=O)N(C)C1CC1 11a_100000226674_100000210554 [0,1,0,1,0,0|2,0,0]=4 4616 B11R1.719 CC(C)CC(=O)N(C)C1CC1 1626a_100000226674_100000210554 [0,1,0,1,0,0|2,0,0]=4 4617 B11R1.719 CC(C)CC(=O)N(C)C1CC1 240690a_100000226674_100000210554 [0,1,0,1,0,0|2,0,0]=4 4618 B11R1.719 CC(C)CC(=O)N(C)C1CC1 527a_100000226674_100000210554 [0,1,0,1,0,0|2,0,0]=4 4619 B11R1.719 CC(C)CC(C)C(=O)C1CC1 1458a_100000210395_100000731052 [0,1,0,1,0,0|1,0,1]=4 4620 B11R1.719 CC(C)CN(C)C(=O)C1CC1 11a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 4621 B11R1.719 CC(C)CN(C)C(=O)C1CC1 1626a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 4622 B11R1.719 CC(C)CN(C)C(=O)C1CC1 240690a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 4623 B11R1.719 CC(C)CN(C)C(=O)C1CC1 527a_100000747067_100000210395 [0,1,0,1,0,0|2,0,0]=4 4624 B11R1.719 CC(O)CN(C)C(=O)C1CC1 240690a_100000227577_100000210395 [0,1,0,1,0,0|2,0,0]=4 4625 B11R1.719 CC(O)CN(C)C(=O)C1CC1 527a_100000227577_100000210395 [0,1,0,1,0,0|2,0,0]=4 4626 B11R1.719 C[C@@H](O)CC(=O)N(C)C1CC1 240690a_100000226674_100011933948 [0,1,0,1,0,0|2,0,0]=4 4627 B11R1.821 CCCC(=O)C1CC(C1)(C)C 1458a_100000695498_100000210303 [0,1,0,1,0,0|1,0,1]=4 4628 B11R1.821 CCCC(=O)N1CC(C1)(C)C 11a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 4629 B11R1.821 CCCC(=O)N1CC(C1)(C)C 1626a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 4630 B11R1.821 CCCC(=O)N1CC(C1)(C)C 240690a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 4631 B11R1.821 CCCC(=O)N1CC(C1)(C)C 527a_100000753659_100000211992 [0,1,0,1,0,0|2,0,0]=4 4632 B11R1.821 CCCC(=O)N1CC(C1)(C)F 11a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 4633 B11R1.821 CCCC(=O)N1CC(C1)(C)F 1626a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 4634 B11R1.821 CCCC(=O)N1CC(C1)(C)F 240690a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 4635 B11R1.821 CCCC(=O)N1CC(C1)(C)F 527a_100000696199_100000211992 [0,1,0,1,0,0|2,0,0]=4 4636 B11R1.821 CCCC(=O)N1CC(C1)(C)O 11a_100000718560_100000211992 [0,1,0,1,0,0|2,0,0]=4 4637 B11R1.821 CCCC(=O)N1CC(C1)(C)O 240690a_100000718560_100000211992 [0,1,0,1,0,0|2,0,0]=4 4638 B11R1.821 CCCC(=O)N1CC(C1)(C)O 527a_100000718560_100000211992 [0,1,0,1,0,0|2,0,0]=4 4639 B11R1.821 CCCC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_100000210303 [0,1,0,1,0,0|1,0,1]=4 4640 B11R1.1264 CC(C)CC(=O)C1(CCC1)C 1458a_100000684636_100000210624 [0,1,0,1,0,0|1,0,1]=4 4641 B11R1.1264 CC(C)CC(=O)C1(CCC1)O 1458a_100000242746_100000210624 [0,1,0,1,0,0|0,0,2]=4 4642 B11R1.1264 CC(O)CC(=O)C1(CCC1)C 1458a_100000684636_100011218427 [0,1,0,1,0,0|1,0,1]=4 4643 B11R1.1264 CC(O)CC(=O)C1(CCC1)O 1458a_100000242746_100011218427 [0,1,0,1,0,0|0,0,2]=4 4644 B11R1.605 CCNC1C(=O)CCCC1=O 2230a_100015525214_100009814513 [0,1,0,1,0,0|1,0,1]=4 4645 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100000210202_100009814513 [0,1,0,1,0,0|1,0,1]=4 4646 B11R1.605 CCSC1C(=O)CCCC1=O 62a_100009814513_100000210202 [0,1,0,1,0,0|1,0,1]=4 4647 B11R1.763 CCCC(CC)C(=O)C1CC1 1458a_100000210395_100011219200 [0,1,0,1,0,0|1,0,1]=4 4648 B11R1.763 CCCN(CC)C(=O)C1CC1 11a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 4649 B11R1.763 CCCN(CC)C(=O)C1CC1 1626a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 4650 B11R1.763 CCCN(CC)C(=O)C1CC1 240690a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 4651 B11R1.763 CCCN(CC)C(=O)C1CC1 527a_100000226822_100000210395 [0,1,0,1,0,0|2,0,0]=4 4652 B11R1.823 CCCC(=O)N(CC)C1CC1 11a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 4653 B11R1.823 CCCC(=O)N(CC)C1CC1 1626a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 4654 B11R1.823 CCCC(=O)N(CC)C1CC1 240690a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 4655 B11R1.823 CCCC(=O)N(CC)C1CC1 527a_100000738653_100000211992 [0,1,0,1,0,0|2,0,0]=4 4656 B11R1.831 CCCC(=O)C1(CCC1)C#N 1458a_100000752263_100000210303 [0,1,0,1,0,0|1,0,1]=4 4657 B11R1.831 CCCC(=O)C1(CCC1)CC 1458a_100000685558_100000210303 [0,1,0,1,0,0|1,0,1]=4 4658 B11R1.31 CCC(C)C(=O)C1=CCCC1 1458a_100000038896_100000758301 [0,1,0,1,0,0|1,0,0]=3 4659 B11R1.31 CCC(C)C(=O)C1=CCOC1 1458a_100000139269_100000758301 [0,1,0,1,0,0|2,0,0]=4 4660 B11R1.31 CCC(C)C(=O)C1=COCC1 1458a_100000750620_100000758301 [0,1,0,1,0,0|2,0,0]=4 4661 B11R1.31 CCC(C)C(=O)C1CCCC1 1458a_100000210718_100000758301 [0,1,0,1,0,0|1,0,1]=4 4662 B11R1.31 CCC(C)C(=O)C1CCCC1 1458a_100011192722_100000179811 [0,1,0,1,0,0|1,0,1]=4 4663 B11R1.31 CCC(C)C(=O)C1CCCS1 1458a_100012002731_100000758301 [0,1,0,1,0,0|0,1,1]=4 4664 B11R1.31 CCC(C)C(=O)N1CCCC1 240690a_100000188435_100011192722 [0,1,0,1,0,0|2,0,0]=4 4665 B11R1.31 CCC(C)C(=O)N1CCCC1 527a_100000188435_100011192722 [0,1,0,1,0,0|2,0,0]=4 4666 B11R1.31 CCC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000758301 [0,1,0,1,0,0|0,0,2]=4 4667 B11R1.31 CCC(O)C(=O)C1CCCC1 1458a_100011196387_100000179811 [0,1,0,1,0,0|1,0,1]=4 4668 B11R1.31 CCC(O)C(=O)N1CCCC1 240690a_100000188435_100011196387 [0,1,0,1,0,0|2,0,0]=4 4669 B11R1.31 CCN(C)C(=O)C1=CCCC1 11a_100000225621_100000038896 [0,1,0,1,0,0|2,0,0]=4 4670 B11R1.31 CCN(C)C(=O)C1=CCCC1 1626a_100000225621_100000038896 [0,1,0,1,0,0|2,0,0]=4 4671 B11R1.31 CCN(C)C(=O)C1=CCCC1 240690a_100000225621_100000038896 [0,1,0,1,0,0|2,0,0]=4 4672 B11R1.240 CCC(C)C(=O)C1CC1CC 1458a_200011661523_100000758301 [0,1,0,1,0,0|1,0,1]=4 4673 B11R1.296 CCC(C)C(=O)C1CC(C1)C 1458a_100000686124_100000758301 [0,1,0,1,0,0|1,0,1]=4 4674 B11R1.296 CCC(C)C(=O)N1CC(C1)C 11a_100000702820_100011192722 [0,1,0,1,0,0|2,0,0]=4 4675 B11R1.296 CCC(C)C(=O)N1CC(C1)C 240690a_100000702820_100011192722 [0,1,0,1,0,0|2,0,0]=4 4676 B11R1.296 CCC(C)C(=O)N1CC(C1)C 527a_100000702820_100011192722 [0,1,0,1,0,0|2,0,0]=4 4677 B11R1.296 CCC(O)C(=O)N1CC(C1)C 240690a_100000702820_100011196387 [0,1,0,1,0,0|2,0,0]=4 4678 B11R1.350 CCCC(C)C(=O)C1(CC1)C 1458a_100000756474_100000766640 [0,1,0,1,0,0|1,0,1]=4 4679 B11R1.350 CCCC(C)C(=O)C1(CC1)F 1458a_100000055089_100000766640 [0,1,0,1,0,0|1,0,1]=4 4680 B11R1.350 CCCC(C)C(=O)C1(CC1)O 1458a_100000241761_100000766640 [0,1,0,1,0,0|1,0,1]=4 4681 B11R1.350 CCCN(C)C(=O)C1(CC1)C 11a_100000747261_100000756474 [0,1,0,1,0,0|2,0,0]=4 4682 B11R1.350 CCCN(C)C(=O)C1(CC1)C 1626a_100000747261_100000756474 [0,1,0,1,0,0|2,0,0]=4 4683 B11R1.350 CCCN(C)C(=O)C1(CC1)C 240690a_100000747261_100000756474 [0,1,0,1,0,0|2,0,0]=4 4684 B11R1.350 CCCN(C)C(=O)C1(CC1)C 527a_100000747261_100000756474 [0,1,0,1,0,0|2,0,0]=4 4685 B11R1.350 CCCN(C)C(=O)C1(CC1)F 11a_100000747261_100000055089 [0,1,0,1,0,0|2,0,0]=4 4686 B11R1.350 CCCN(C)C(=O)C1(CC1)F 1626a_100000747261_100000055089 [0,1,0,1,0,0|2,0,0]=4 4687 B11R1.350 CCCN(C)C(=O)C1(CC1)F 240690a_100000747261_100000055089 [0,1,0,1,0,0|2,0,0]=4 4688 B11R1.350 CCCN(C)C(=O)C1(CC1)F 527a_100000747261_100000055089 [0,1,0,1,0,0|2,0,0]=4 4689 B11R1.350 CCCN(C)C(=O)C1(CC1)O 240690a_100000747261_100000241761 [0,1,0,1,0,0|2,0,0]=4 4690 B11R1.385 CCC(C)C(=O)N(C)C1CC1 11a_100000226674_100011192722 [0,1,0,1,0,0|2,0,0]=4 4691 B11R1.385 CCC(C)C(=O)N(C)C1CC1 1626a_100000226674_100011192722 [0,1,0,1,0,0|2,0,0]=4 4692 B11R1.385 CCC(C)C(=O)N(C)C1CC1 240690a_100000226674_100011192722 [0,1,0,1,0,0|2,0,0]=4 4693 B11R1.385 CCC(C)C(=O)N(C)C1CC1 527a_100000226674_100011192722 [0,1,0,1,0,0|2,0,0]=4 4694 B11R1.385 CCC(C)N(C)C(=O)C1CC1 11a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 4695 B11R1.385 CCC(C)N(C)C(=O)C1CC1 1626a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 4696 B11R1.385 CCC(C)N(C)C(=O)C1CC1 240690a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 4697 B11R1.385 CCC(C)N(C)C(=O)C1CC1 527a_100000741768_100000210395 [0,1,0,1,0,0|2,0,0]=4 4698 B11R1.385 CCC(O)C(=O)N(C)C1CC1 240690a_100000226674_100011196387 [0,1,0,1,0,0|2,0,0]=4 4699 B11R1.1007 CCC(C)C(=O)C1(CCC1)C 1458a_100000684636_100000758301 [0,1,0,1,0,0|1,0,1]=4 4700 B11R1.1007 CCC(C)C(=O)C1(CCC1)O 1458a_100000242746_100000758301 [0,1,0,1,0,0|0,0,2]=4 4701 B11R2.1031 O=C(C1CC1)N2CCCC2 240690a_100000188435_100000210395 [0,0,0,2,0,0|2,0,0]=4 4702 B11R2.1031 O=C(C1CC1)N2CCCC2 527a_100000188435_100000210395 [0,0,0,2,0,0|2,0,0]=4 4703 B11R2.1031 O=C(C1CCCC1)C2CC2 1458a_100000210395_100000179811 [0,0,0,2,0,0|1,0,1]=4 4704 B11R2.548 CC1CN(C1)C(=O)C2CC2 11a_100000702820_100000210395 [0,0,0,2,0,0|2,0,0]=4 4705 B11R2.548 CC1CN(C1)C(=O)C2CC2 240690a_100000702820_100000210395 [0,0,0,2,0,0|2,0,0]=4 4706 B11R2.548 CC1CN(C1)C(=O)C2CC2 527a_100000702820_100000210395 [0,0,0,2,0,0|2,0,0]=4 4707 B11R2.881 CCCC(=O)C12CC(C1)C2 1458a_100000137470_100000210303 [0,0,0,2,0,0|1,0,1]=4 4708 B11R2.1032 CN(C(=O)C1CC1)C2CC2 11a_100000226674_100000210395 [0,0,0,2,0,0|2,0,0]=4 4709 B11R2.1032 CN(C(=O)C1CC1)C2CC2 1626a_100000226674_100000210395 [0,0,0,2,0,0|2,0,0]=4 4710 B11R2.1032 CN(C(=O)C1CC1)C2CC2 240690a_100000226674_100000210395 [0,0,0,2,0,0|2,0,0]=4 4711 B11R2.1032 CN(C(=O)C1CC1)C2CC2 527a_100000226674_100000210395 [0,0,0,2,0,0|2,0,0]=4 4712 B11R0.62 C#CCC(=O)COC(=O)CCC 1458a_100011220946_100000034017 [0,0,0,0,0,2|0,0,2]=4 4713 B11R0.62 C=CCC(=O)COC(=O)CCC 1458a_100000210193_100000034017 [0,0,0,0,0,2|0,0,2]=4 4714 B11R0.62 C=CCC(=O)NNC(=O)CCC 22a_100000189770_100000210193 [0,0,0,0,0,2|0,0,2]=4 4715 B11R0.62 CC#CC(=O)COC(=O)CCC 1458a_100000763181_100000034017 [0,0,0,0,0,2|0,0,2]=4 4716 B11R0.62 CC#CC(=O)NNC(=O)CCC 22a_100000189770_100000763181 [0,0,0,0,0,2|0,0,2]=4 4717 B11R0.62 CC=CC(=O)COC(=O)CCC 1458a_100000210699_100000034017 [0,0,0,0,0,2|0,0,2]=4 4718 B11R0.62 CC=CC(=O)NNC(=O)CCC 22a_100000189770_100000210699 [0,0,0,0,0,2|0,0,2]=4 4719 B11R0.62 CCCC(=NNC(=O)COC)C 4a_100000216845_100000211909 [0,0,0,0,0,2|2,0,0]=4 4720 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [0,0,0,0,0,2|1,0,0]=3 4721 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [0,0,0,0,0,2|1,0,0]=3 4722 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,0,0,0,0,2|1,0,0]=3 4723 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,0,0,0,0,2|1,0,0]=3 4724 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,0,0,0,0,2|1,0,1]=4 4725 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,0,0,0,0,2|0,0,0]=2 4726 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,0,0,0,0,2|1,0,1]=4 4727 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,0,0,0,0,2|1,0,1]=4 4728 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,0,0,0,0,2|1,0,1]=4 4729 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [0,0,0,0,0,2|1,0,0]=3 4730 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [0,0,0,0,0,2|1,0,0]=3 4731 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [0,0,0,0,0,2|1,0,0]=3 4732 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [0,0,0,0,0,2|1,0,0]=3 4733 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,0,0,0,0,2|1,0,0]=3 4734 B11R0.62 CCCC(=O)NN=C(C)CCC 4a_100000189770_100000211909 [0,0,0,0,0,2|1,0,0]=3 4735 B11R0.62 CCCC(=O)NN=C(C)COC 4a_100000189770_100000749346 [0,0,0,0,0,2|2,0,0]=4 4736 B11R0.62 CCCC(=O)NN=C(C)CSC 4a_100000189770_100011216314 [0,0,0,0,0,2|2,0,0]=4 4737 B11R0.62 CCCC(=O)NNC(=O)CC#N 22a_100000189770_100051588842 [0,0,0,0,0,2|1,0,1]=4 4738 B11R0.62 CCCC(=O)NNC(=O)CC#N 22a_100000210509_100000211992 [0,0,0,0,0,2|1,0,1]=4 4739 B11R0.62 CCCC(=O)NNC(=O)CCC 22a_100000189770_100000211992 [0,0,0,0,0,2|0,0,0]=2 4740 B11R0.62 CCCC(=O)NNC(=O)CCO 22a_100000189770_100011216618 [0,0,0,0,0,2|1,0,0]=3 4741 B11R0.62 CCCC(=O)NNC(=O)COC 22a_100000189770_100000210968 [0,0,0,0,0,2|1,0,0]=3 4742 B11R0.62 CCCC(=O)NNC(=O)COC 22a_100000216845_100000211992 [0,0,0,0,0,2|1,0,0]=3 4743 B11R0.62 CCCC(=O)NNC(=O)CSC 22a_100000189770_100000184570 [0,0,0,0,0,2|1,0,0]=3 4744 B11R0.62 CCCC(=O)NNC(=O)NCC 273464a_100015525214_100000189770 [0,0,0,0,0,2|1,0,0]=3 4745 B11R0.62 CCCC(=O)NNC(=O)NCC 512a_100000189770_100015525214 [0,0,0,0,0,2|1,0,0]=3 4746 B11R0.62 CCCC(=O)NNC(=O)NNC 512a_100000189770_100016993582 [0,0,0,0,0,2|2,0,0]=4 4747 B11R0.62 CCCC(=O)OCC(=O)CC#N 1458a_100051588842_100000034017 [0,0,0,0,0,2|1,0,1]=4 4748 B11R0.62 CCCC(=O)OCC(=O)CCO 1458a_100011216618_100000034017 [0,0,0,0,0,2|1,0,0]=3 4749 B11R0.62 CCCC(=O)OCC(=O)COC 1458a_100000210968_100000034017 [0,0,0,0,0,2|1,0,0]=3 4750 B11R0.62 CCCC(=O)OCC(=O)CSC 1458a_100000184570_100000034017 [0,0,0,0,0,2|1,0,0]=3 4751 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,0,0,0,0,2|2,0,0]=4 4752 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,0,0,0,0,2|2,0,0]=4 4753 B11R0.62 CCNC(=O)C=CC(=O)OCC 240690a_100015525214_100000210415 [0,0,0,0,0,2|2,0,0]=4 4754 B11R0.62 CCNC(=O)CCC(=O)CCF 1458a_100000199579_100011217306 [0,0,0,0,0,2|2,0,0]=4 4755 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [0,0,0,0,0,2|2,0,0]=4 4756 B11R0.62 CCNC(=O)CCC(=O)NCC 11a_100015525214_100000199579 [0,0,0,0,0,2|2,0,0]=4 4757 B11R0.62 CCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199579 [0,0,0,0,0,2|2,0,0]=4 4758 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,0,0,0,0,2|2,0,0]=4 4759 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,0,0,0,0,2|2,0,0]=4 4760 B11R0.62 CCNC(=O)CNC(=O)CCO 240690a_100016988866_100011216618 [0,0,0,0,0,2|2,0,0]=4 4761 B11R0.62 CCNC(=O)CNC(=O)COC 11a_100016988866_100000210968 [0,0,0,0,0,2|2,0,0]=4 4762 B11R0.62 CCNC(=O)CNC(=O)COC 1626a_100016988866_100000210968 [0,0,0,0,0,2|2,0,0]=4 4763 B11R0.62 CCNC(=O)CNC(=O)COC 240690a_100016988866_100000210968 [0,0,0,0,0,2|2,0,0]=4 4764 B11R0.62 CCNC(=O)CNC(=O)COC 527a_100016988866_100000210968 [0,0,0,0,0,2|2,0,0]=4 4765 B11R0.62 CCNC(=O)CNC(=O)CSC 11a_100016988866_100000184570 [0,0,0,0,0,2|2,0,0]=4 4766 B11R0.62 CCNC(=O)CNC(=O)CSC 1626a_100016988866_100000184570 [0,0,0,0,0,2|2,0,0]=4 4767 B11R0.62 CCNC(=O)CNC(=O)CSC 240690a_100016988866_100000184570 [0,0,0,0,0,2|2,0,0]=4 4768 B11R0.62 CCNC(=O)CNC(=O)CSC 527a_100016988866_100000184570 [0,0,0,0,0,2|2,0,0]=4 4769 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100015525214_100016988866 [0,0,0,0,0,2|2,0,0]=4 4770 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100016988866_100015525214 [0,0,0,0,0,2|2,0,0]=4 4771 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100015525214_100016988866 [0,0,0,0,0,2|2,0,0]=4 4772 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100016988866_100015525214 [0,0,0,0,0,2|2,0,0]=4 4773 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100015525214_100016988866 [0,0,0,0,0,2|2,0,0]=4 4774 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100016988866_100015525214 [0,0,0,0,0,2|2,0,0]=4 4775 B11R0.62 CCNC(=O)CNC(=O)OCC 11a_100015525214_100000190774 [0,0,0,0,0,2|2,0,0]=4 4776 B11R0.62 CCNC(=O)CNC(=O)OCC 240690a_100015525214_100000190774 [0,0,0,0,0,2|2,0,0]=4 4777 B11R0.62 CCNC(=O)CNC(=O)OCC 527a_100015525214_100000190774 [0,0,0,0,0,2|2,0,0]=4 4778 B11R0.62 CCNC(=O)NNC(=O)COC 273464a_100015525214_100000216845 [0,0,0,0,0,2|2,0,0]=4 4779 B11R0.62 CCOC(=O)C=CC(=O)CCF 1458a_100000210415_100011217306 [0,0,0,0,0,2|2,0,0]=4 4780 B11R0.62 CCOC(=O)C=CC(=O)CCO 1458a_100000210415_100000211926 [0,0,0,0,0,2|2,0,0]=4 4781 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,0,0,0,0,2|2,0,0]=4 4782 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,0,0,0,0,2|2,0,0]=4 4783 B11R0.62 CCOC(=O)CNC(=O)CNC 2230a_106832991635_100011215850 [0,0,0,0,0,2|2,0,0]=4 4784 B11R0.62 CCOC(=O)CNC(=O)CNC 34a_100102657272_100011215850 [0,0,0,0,0,2|2,0,0]=4 4785 B11R0.62 CCOC(=O)CNC(=O)CNC 7a_106832991635_100011215850 [0,0,0,0,0,2|2,0,0]=4 4786 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [0,0,0,0,0,2|2,0,0]=4 4787 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [0,0,0,0,0,2|2,0,0]=4 4788 B11R0.62 CCOC(=O)CNC(=O)CSC 188690a_100000741813_100000184570 [0,0,0,0,0,2|2,0,0]=4 4789 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_100011215850_200000210301 [0,0,0,0,0,2|2,0,0]=4 4790 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_200000210301_100011215850 [0,0,0,0,0,2|2,0,0]=4 4791 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_100011215850_200025704644 [0,0,0,0,0,2|2,0,0]=4 4792 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100011215850 [0,0,0,0,0,2|2,0,0]=4 4793 B11R0.62 CCOC(=O)NCC(=O)CCF 1458a_100000190774_100011217306 [0,0,0,0,0,2|2,0,0]=4 4794 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [0,0,0,0,0,2|2,0,0]=4 4795 B11R0.62 COCC(=O)NNC(=O)CCO 22a_100000216845_100011216618 [0,0,0,0,0,2|2,0,0]=4 4796 B11R0.62 COCC(=O)NNC(=O)COC 22a_100000216845_100000210968 [0,0,0,0,0,2|2,0,0]=4 4797 B11R0.62 COCC(=O)NNC(=O)CSC 22a_100000216845_100000184570 [0,0,0,0,0,2|2,0,0]=4