0 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,0,0,0,0,0|0,0,4]=4 6 B7R0.3 C#CCNC(C)CO 34a_100000212058_100012180447 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.3 C#CCN[C@H](C)CO 2230a_100000737577_100000038162 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.3 C#CCS[C@H](C)CO 62a_100000038162_100016084084 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,0,0,0,0,0|0,0,4]=4 13 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,0,0,0,0,0|1,0,3]=4 14 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.3 C=CC(O)CNCC 2230a_100015525214_100000730141 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.3 C=CC(O)CSCC 62a_100000210202_100000730141 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.3 C=CC(O)CSCC 62a_100000730141_100000210202 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.3 C=CC(O)CSCF 62a_100000730141_100015361967 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.3 C=CC(O)CSCF 62a_100015361967_100000730141 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,0,0,0,0,0|0,0,4]=4 25 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,0,0,0,0,0|0,0,4]=4 33 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,0,0,0,0,0|2,0,0]=2 43 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,0,0,0,0,0|2,0,0]=2 44 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,0,0,0,0,0|3,0,0]=3 50 B7R0.3 CC(CO)SCC#N 62a_100012180447_100011215382 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,0,0,0,0,0|0,0,4]=4 55 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,0,0,0,0,0|2,0,2]=4 58 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,0,0,0,0,0|2,0,2]=4 59 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,0,0,0,0,0|2,0,2]=4 61 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,0,0,0,0,0|3,0,0]=3 63 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,0,0,0,0,0|3,0,0]=3 65 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,0,0,0,0,0|4,0,0]=4 66 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,0,0,0,0,0|4,0,0]=4 67 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,0,0,0,0,0|4,0,0]=4 68 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,0,0,0,0,0|4,0,0]=4 69 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,0,0,0,0,0|4,0,0]=4 70 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,0,0,0,0,0|4,0,0]=4 71 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,0,0,0,0,0|4,0,0]=4 73 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,0,0,0,0,0|4,0,0]=4 74 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,0,0,0,0,0|4,0,0]=4 75 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,0,0,0,0,0|4,0,0]=4 76 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,0,0,0,0,0|4,0,0]=4 77 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,0,0,0,0,0|4,0,0]=4 78 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,0,0,0,0,0|4,0,0]=4 79 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,0,0,0,0,0|4,0,0]=4 80 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,0,0,0,0,0|4,0,0]=4 81 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,0,0,0,0,0|4,0,0]=4 82 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,0,0,0,0,0|4,0,0]=4 83 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,0,0,0,0,0|4,0,0]=4 84 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,0,0,0,0,0|4,0,0]=4 85 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,0,0,0,0,0|4,0,0]=4 86 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,0,0,0,0,0|3,0,0]=3 87 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,0,0,0,0,0|3,0,0]=3 88 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,0,0,0,0,0|1,0,2]=3 89 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,0,0,0,0,0|1,0,2]=3 90 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,0,0,0,0,0|1,0,2]=3 91 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,0,0,0,0,0|0,0,2]=2 92 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,0,0,0,0,0|2,0,2]=4 93 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,0,0,0,0,0|2,0,2]=4 94 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,0,0,0,0,0|2,0,2]=4 96 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,0,0,0,0,0|3,0,0]=3 97 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,0,0,0,0,0|3,0,0]=3 98 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,0,0,0,0,0|3,0,0]=3 99 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,0,0,0,0,0|3,0,0]=3 100 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,0,0,0,0,0|3,0,0]=3 102 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,0,0,0,0,0|3,0,0]=3 103 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,0,0,0,0,0|3,0,0]=3 106 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,0,0,0,0,0|3,0,0]=3 107 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,0,0,0,0,0|3,0,0]=3 109 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,0,0,0,0,0|3,0,0]=3 111 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,0,0,0,0,0|3,0,0]=3 112 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,0,0,0,0,0|3,0,0]=3 114 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,0,0,0,0,0|3,0,0]=3 115 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,0,0,0,0,0|3,0,0]=3 116 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,0,0,0,0,0|3,0,0]=3 117 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [0,0,0,0,0,0|3,0,0]=3 118 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,0,0,0,0,0|3,0,0]=3 119 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,0,0,0,0,0|3,0,0]=3 120 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,0,0,0,0,0|2,0,2]=4 121 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,0,0,0,0,0|2,0,2]=4 122 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,0,0,0,0,0|2,0,2]=4 123 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,0,0,0,0,0|2,0,2]=4 124 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,0,0,0,0,0|1,0,2]=3 125 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,0,0,0,0,0|1,0,2]=3 126 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,0,0,0,0,0|3,0,0]=3 128 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,0,0,0,0,0|2,0,0]=2 129 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,0,0,0,0,0|3,0,0]=3 131 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,0,0,0,0,0|3,0,0]=3 132 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,0,0,0,0,0|3,0,0]=3 133 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,0,0,0,0,0|3,0,0]=3 134 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,0,0,0,0,0|3,0,0]=3 135 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,0,0,0,0,0|2,0,0]=2 136 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,0,0,0,0,0|3,0,0]=3 139 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,0,0,0,0,0|3,0,0]=3 140 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,0,0,0,0,0|2,0,0]=2 141 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,0,0,0,0,0|4,0,0]=4 142 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,0,0,0,0,0|4,0,0]=4 143 B7R0.3 CCCSC(F)C#N 62a_100000210303_200000117898 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.3 CCCSC(F)C#N 62a_200000117898_100000210303 [0,0,0,0,0,0|3,0,1]=4 145 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,0,0,0,0,0|2,0,0]=2 146 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,0,0,0,0,0|2,0,0]=2 147 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,0,0,0,0,0|4,0,0]=4 148 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,0,0,0,0,0|4,0,0]=4 149 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,0,0,0,0,0|4,0,0]=4 150 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,0,0,0,0,0|4,0,0]=4 151 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,0,0,0,0,0|4,0,0]=4 152 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,0,0,0,0,0|4,0,0]=4 153 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,0,0,0,0,0|4,0,0]=4 154 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,0,0,0,0,0|4,0,0]=4 155 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,0,0,0,0,0|4,0,0]=4 156 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,0,0,0,0,0|4,0,0]=4 157 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,0,0,0,0,0|4,0,0]=4 158 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,0,0,0,0,0|4,0,0]=4 159 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,0,0,0,0,0|4,0,0]=4 160 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,0,0,0,0,0|4,0,0]=4 161 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,0,0,0,0,0|4,0,0]=4 162 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,0,0,0,0,0|4,0,0]=4 163 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,0,0,0,0,0|4,0,0]=4 164 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,0,0,0,0,0|4,0,0]=4 165 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,0,0,0,0,0|3,0,0]=3 166 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,0,0,0,0,0|3,0,0]=3 167 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,0,0,0,0,0|3,0,0]=3 168 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,0,0,0,0,0|2,0,0]=2 169 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,0,0,0,0,0|2,0,0]=2 170 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,0,0,0,0,0|2,0,0]=2 171 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,0,0,0,0,0|1,0,0]=1 172 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,0,0,0,0,0|3,0,0]=3 173 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,0,0,0,0,0|2,0,0]=2 174 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,0,0,0,0,0|4,0,0]=4 175 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,0,0,0,0,0|2,0,0]=2 176 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,0,0,0,0,0|2,0,0]=2 177 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,0,0,0,0,0|1,0,0]=1 178 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,0,0,0,0,0|1,0,0]=1 179 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,0,0,0,0,0|3,0,1]=4 180 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,0,0,0,0,0|2,0,2]=4 181 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,0,0,0,0,0|2,0,2]=4 182 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,0,0,0,0,0|2,0,2]=4 183 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,0,0,0,0,0|2,0,2]=4 184 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,0,0,0,0,0|3,0,0]=3 185 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,0,0,0,0,0|3,0,0]=3 186 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,0,0,0,0,0|4,0,0]=4 187 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,0,0,0,0,0|4,0,0]=4 188 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,0,0,0,0,0|4,0,0]=4 189 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,0,0,0,0,0|4,0,0]=4 190 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,0,0,0,0,0|4,0,0]=4 191 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,0,0,0,0,0|3,0,0]=3 192 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,0,0,0,0,0|2,0,0]=2 193 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [0,0,0,0,0,0|1,0,0]=1 194 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,0,0,0,0,0|4,0,0]=4 195 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,0,0,0,0,0|3,0,0]=3 196 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,0,0,0,0,0|3,0,0]=3 197 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,0,0,0,0,0|2,0,0]=2 198 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [0,0,0,0,0,0|2,0,0]=2 199 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [0,0,0,0,0,0|1,0,0]=1 200 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [0,0,0,0,0,0|3,0,0]=3 201 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,0,0,0,0,0|2,0,2]=4 202 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,0,0,0,0,0|2,0,2]=4 203 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,0,0,0,0,0|2,0,2]=4 204 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,0,0,0,0,0|2,0,2]=4 205 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,0,0,0,0,0|3,0,0]=3 206 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,0,0,0,0,0|3,0,0]=3 207 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,0,0,0,0,0|4,0,0]=4 208 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,0,0,0,0,0|2,0,0]=2 209 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,0,0,0,0,0|2,0,0]=2 210 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [0,0,0,0,0,0|1,0,0]=1 211 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [0,0,0,0,0,0|1,0,0]=1 212 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,0,0,0,0,0|3,0,0]=3 213 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,0,0,0,0,0|3,0,0]=3 214 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,0,0,0,0,0|2,0,0]=2 215 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,0,0,0,0,0|2,0,0]=2 216 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [0,0,0,0,0,0|2,0,0]=2 217 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [0,0,0,0,0,0|2,0,0]=2 218 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [0,0,0,0,0,0|1,0,0]=1 219 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [0,0,0,0,0,0|1,0,0]=1 220 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,0,0,0,0,0|4,0,0]=4 221 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,0,0,0,0,0|4,0,0]=4 222 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,0,0,0,0,0|4,0,0]=4 223 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [0,0,0,0,0,0|4,0,0]=4 224 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,0,0,0,0,0|4,0,0]=4 225 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,0,0,0,0,0|4,0,0]=4 226 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,0,0,0,0,0|2,0,0]=2 227 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,0,0,0,0,0|2,0,0]=2 228 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,0,0,0,0,0|4,0,0]=4 229 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,0,0,0,0,0|4,0,0]=4 230 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,0,0,0,0,0|4,0,0]=4 231 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,0,0,0,0,0|3,0,1]=4 232 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,0,0,0,0,0|2,0,2]=4 233 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,0,0,0,0,0|1,0,2]=3 234 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,0,0,0,0,0|4,0,0]=4 235 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [0,0,0,0,0,0|4,0,0]=4 236 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,0,0,0,0,0|3,0,0]=3 237 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,0,0,0,0,0|3,0,0]=3 238 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,0,0,0,0,0|3,0,0]=3 239 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,0,0,0,0,0|3,0,0]=3 240 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,0,0,0,0,0|2,0,2]=4 241 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,0,0,0,0|1,0,2]=3 242 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [0,0,0,0,0,0|4,0,0]=4 243 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,0,0,0,0,0|3,0,0]=3 244 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,0,0,0,0,0|4,0,0]=4 245 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,0,0,0,0,0|4,0,0]=4 246 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,0,0,0,0,0|3,0,0]=3 247 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,0,0,0,0,0|3,0,0]=3 248 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,0,0,0,0,0|3,0,0]=3 249 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [0,0,0,0,0,0|3,0,0]=3 250 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [0,0,0,0,0,0|3,0,0]=3 251 B7R0.3 C[C@H](CO)NCC#N 2230a_100000737577_100011215382 [0,0,0,0,0,0|3,0,1]=4 252 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,0,0,0,0,0|3,0,1]=4 253 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,0,0,0,0,0|3,0,0]=3 254 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,0,0,0,0,0|3,0,0]=3 255 B7R0.3 C[C@H](CO)SCC#N 62a_100011215382_100016084084 [0,0,0,0,0,0|3,0,1]=4 256 B7R0.3 C[C@H](CO)SCC#N 62a_100016084084_100011215382 [0,0,0,0,0,0|3,0,1]=4 257 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,0,0,0,0,0|3,0,1]=4 258 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,0,0,0,0,0|3,0,1]=4 259 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,0,0,0,0,0|3,0,0]=3 260 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,0,0,0,0,0|3,0,0]=3 261 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,0,0,0,0,0|3,0,0]=3 262 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,0,0,0,0,0|3,0,0]=3 263 B7R0.3 FCOCC(Cl)CCl 34a_100000033668_100015361967 [0,0,0,0,0,0|4,0,0]=4 264 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,0,0,0,0,0|1,0,3]=4 265 B7R0.3 NC[C@@H](F)COCF 34a_100015665980_100015361967 [0,0,0,0,0,0|4,0,0]=4 266 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,0,0,0,0,0|1,0,2]=3 267 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,0,0,0,0,0|1,0,2]=3 268 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,0,0,0,0,0|2,0,2]=4 269 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,0,0,0,0,0|2,0,2]=4 270 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,0,0,0,0,0|2,0,2]=4 271 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,0,0,0,0,0|2,0,2]=4 272 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [0,0,0,0,0,0|2,0,0]=2 273 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [0,0,0,0,0,0|2,0,0]=2 274 B7R0.3 OC[C@H](F)CNCF 34a_100015665980_100015361967 [0,0,0,0,0,0|3,0,0]=3 275 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [0,0,0,0,0,0|2,0,0]=2 276 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [0,0,0,0,0,0|2,0,0]=2 277 B7R0.3 O[C@@H](CF)CSCF 62a_100015361967_100015614560 [0,0,0,0,0,0|3,0,0]=3 278 B7R0.3 O[C@@H](CF)CSCF 62a_100015614560_100015361967 [0,0,0,0,0,0|3,0,0]=3 279 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,0,0,0,0,0|3,0,1]=4 280 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [1,0,0,0,0,0|2,0,1]=4 284 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,0,0,0,0,0|2,0,1]=4 287 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|3,0,0]=4 289 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|2,0,0]=3 290 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [1,0,0,0,0,0|3,0,0]=4 291 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,0,0,0,0|3,0,0]=4 292 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,0,0,0,0|3,0,0]=4 293 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,0,0,0,0|3,0,0]=4 294 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,0,0,0,0|3,0,0]=4 295 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,0,0,0,0|3,0,0]=4 297 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,0,0,0,0|3,0,0]=4 298 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|3,0,0]=4 299 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|3,0,0]=4 300 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|3,0,0]=4 301 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|3,0,0]=4 302 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,0,0,0,0|2,0,0]=3 303 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,0,0,0,0|2,0,0]=3 304 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,0,0,0,0|2,0,0]=3 305 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,0,0,0,0|2,0,0]=3 306 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,0,0,0,0|2,0,0]=3 307 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,0,0,0,0|2,0,0]=3 308 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,0,0,0,0|2,0,0]=3 309 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,0,0,0,0|2,0,0]=3 310 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,0,0,0,0|2,0,0]=3 311 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,0,0,0,0|2,0,0]=3 312 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|1,0,2]=4 313 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|1,0,2]=4 314 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|1,0,2]=4 315 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|0,0,2]=3 316 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|3,0,0]=4 318 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|3,0,0]=4 319 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|3,0,0]=4 320 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|3,0,0]=4 321 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|3,0,0]=4 322 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|3,0,0]=4 323 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|3,0,0]=4 324 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|3,0,0]=4 325 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|3,0,0]=4 326 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|3,0,0]=4 327 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|3,0,0]=4 328 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|3,0,0]=4 329 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|3,0,0]=4 330 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|3,0,0]=4 331 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 332 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 333 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|3,0,0]=4 334 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|3,0,0]=4 335 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|3,0,0]=4 336 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|3,0,0]=4 337 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,0,0,0,0,0|3,0,0]=4 338 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 339 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|3,0,0]=4 340 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|1,0,2]=4 341 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|1,0,2]=4 342 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|3,0,0]=4 343 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|3,0,0]=4 344 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,0,0,0,0|2,0,0]=3 345 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,0,0,0,0|2,0,0]=3 346 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|3,0,0]=4 347 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|3,0,0]=4 348 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,0,0,0,0|3,0,0]=4 349 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,0,0,0,0|3,0,0]=4 350 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,0,0,0,0|3,0,0]=4 351 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|2,0,0]=3 352 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|3,0,0]=4 353 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|3,0,0]=4 354 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,0,0,0,0|2,0,0]=3 355 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,0,0,0,0|2,0,0]=3 356 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,0,0,0,0|2,0,0]=3 357 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,0,0,0,0|3,0,0]=4 360 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,0,0,0,0|3,0,0]=4 361 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,0,0,0,0|3,0,0]=4 362 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|3,0,0]=4 364 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|3,0,0]=4 365 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|3,0,0]=4 366 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|3,0,0]=4 367 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,0,0,0,0,0|2,0,0]=3 368 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,0,0,0,0,0|1,0,0]=2 369 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,0,0,0,0,0|1,0,0]=2 370 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,0,0,0,0,0|1,0,0]=2 371 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,0,0,0,0,0|2,0,0]=3 372 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,0,0,0,0,0|2,0,0]=3 373 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,0,0,0,0,0|2,0,0]=3 374 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [1,0,0,0,0,0|2,0,0]=3 375 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [1,0,0,0,0,0|2,0,0]=3 376 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [1,0,0,0,0,0|2,0,0]=3 377 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [1,0,0,0,0,0|2,0,0]=3 378 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,0,0,0,0,0|1,0,0]=2 379 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,0,0,0,0,0|1,0,0]=2 380 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,0,0,0,0,0|1,0,0]=2 381 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,0,0,0,0,0|1,0,0]=2 382 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,0,0,0,0,0|3,0,0]=4 383 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [1,0,0,0,0,0|3,0,0]=4 384 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,0,0,0,0,0|1,0,0]=2 385 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,0,0,0,0,0|2,0,0]=3 386 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [1,0,0,0,0,0|2,0,0]=3 387 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,0,0,0,0,0|1,0,0]=2 388 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [1,0,0,0,0,0|3,0,0]=4 389 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,0,0,0,0|1,0,0]=2 390 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,0,0,0,0|1,0,0]=2 391 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,0,0,0,0|2,0,0]=3 392 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,0,0,0,0|2,0,0]=3 393 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,0,0,0,0,0|2,0,0]=3 394 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,0,0,0,0,0|2,0,0]=3 395 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,0,0,0,0|1,0,0]=2 396 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,0,0,0,0|1,0,0]=2 397 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,0,0,0,0|2,0,0]=3 398 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,0,0,0,0|2,0,0]=3 399 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [1,0,0,0,0,0|3,0,0]=4 400 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [1,0,0,0,0,0|3,0,0]=4 401 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|1,0,2]=4 402 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|1,0,2]=4 403 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [1,0,0,0,0,0|2,0,0]=3 404 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,0,0,0,0,0|1,0,0]=2 405 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [1,0,0,0,0,0|3,0,0]=4 406 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [1,0,0,0,0,0|3,0,0]=4 407 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,0,0,0,0|1,0,0]=2 408 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,0,0,0,0|1,0,0]=2 409 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,0,0,0,0,0|2,0,0]=3 410 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,0,0,0,0,0|2,0,0]=3 411 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,0,0,0,0|1,0,0]=2 412 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,0,0,0,0|1,0,0]=2 413 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|2,0,1]=4 414 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|2,0,1]=4 415 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|2,0,1]=4 416 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|2,0,1]=4 417 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|2,0,1]=4 418 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|2,0,1]=4 419 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|2,0,1]=4 420 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|2,0,1]=4 421 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|2,0,1]=4 422 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|2,0,1]=4 423 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|2,0,1]=4 425 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|2,0,1]=4 427 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|2,0,1]=4 428 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|1,0,2]=4 429 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|1,0,2]=4 430 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|1,0,2]=4 431 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|1,0,2]=4 432 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|1,0,2]=4 433 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|1,0,2]=4 434 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,0,0,0,0,0|2,0,0]=3 435 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,0,0,0,0,0|3,0,0]=4 436 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|2,0,0]=3 437 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|2,0,0]=3 438 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,0,0,0,0|2,0,0]=3 439 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,0,0,0,0|2,0,0]=3 440 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,0,0,0,0,0|3,0,0]=4 441 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,0,0,0,0|3,0,0]=4 442 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,0,0,0,0,0|3,0,0]=4 443 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,0,0,0,0,0|3,0,0]=4 444 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,0,0,0,0,0|3,0,0]=4 445 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,0,0,0,0,0|3,0,0]=4 446 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,0,0,0,0,0|3,0,0]=4 447 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,0,0,0,0|3,0,0]=4 448 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,0,0,0,0|3,0,0]=4 449 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,0,0,0,0|3,0,0]=4 450 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,0,0,0,0|3,0,0]=4 451 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,0,0,0,0,0|3,0,0]=4 452 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,0,0,0,0,0|3,0,0]=4 453 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,0,0,0,0,0|3,0,0]=4 454 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,0,0,0,0|3,0,0]=4 455 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,0,0,0,0,0|3,0,0]=4 456 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,0,0,0,0,0|3,0,0]=4 457 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,0,0,0,0,0|3,0,0]=4 458 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,0,0,0,0,0|3,0,0]=4 459 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,0,0,0,0|3,0,0]=4 460 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,0,0,0,0|3,0,0]=4 461 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,0,0,0,0,0|3,0,0]=4 462 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|1,0,0]=2 463 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|1,0,0]=2 464 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|1,0,0]=2 465 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [1,0,0,0,0,0|2,0,0]=3 466 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,0,0,0,0,0|2,0,0]=3 467 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,0,0,0,0,0|2,0,0]=3 468 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|0,0,2]=3 469 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|0,0,2]=3 470 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|0,0,2]=3 471 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|2,0,0]=3 472 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|2,0,0]=3 473 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|2,0,0]=3 474 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|2,0,0]=3 475 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|2,0,0]=3 476 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|2,0,0]=3 477 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|1,0,2]=4 478 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|1,0,2]=4 479 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|1,0,2]=4 480 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|1,0,2]=4 481 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|2,0,0]=3 482 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|2,0,0]=3 483 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|2,0,0]=3 484 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|2,0,0]=3 485 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|2,0,0]=3 486 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|2,0,0]=3 487 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,2]=4 488 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,0,0,0,0|2,0,0]=3 489 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,0,0,0,0|2,0,0]=3 490 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,0,0,0,0|2,0,0]=3 491 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,0,0,0,0|2,0,0]=3 492 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|1,0,0]=2 493 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|1,0,0]=2 494 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|1,0,0]=2 495 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [1,0,0,0,0,0|3,0,0]=4 496 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [1,0,0,0,0,0|3,0,0]=4 497 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|1,0,0]=2 498 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|1,0,2]=4 499 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|1,0,2]=4 500 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|1,0,2]=4 501 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,0,0,0,0|2,0,0]=3 502 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|2,0,0]=3 503 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|2,0,0]=3 504 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,0,0,0,0|2,0,0]=3 505 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|1,0,0]=2 506 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [1,0,0,0,0,0|3,0,0]=4 507 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [1,0,0,0,0,0|3,0,0]=4 508 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,0,0,0,0|3,0,0]=4 509 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,0,0,0,0|2,0,0]=3 510 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,0,0,0,0|2,0,0]=3 511 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|1,0,0]=2 512 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|1,0,2]=4 513 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|1,0,2]=4 514 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,0,0,0,0|2,0,0]=3 515 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,0,0,0,0|2,0,0]=3 516 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|1,0,0]=2 517 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|1,0,0]=2 518 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [1,0,0,0,0,0|3,0,0]=4 519 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [1,0,0,0,0,0|3,0,0]=4 520 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|1,0,0]=2 521 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|1,0,0]=2 522 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,0,0,0,0,0|3,0,0]=4 523 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,0,0,0,0,0|3,0,0]=4 524 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 525 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|3,0,0]=4 526 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 527 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|3,0,0]=4 528 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,0,0,0,0,0|3,0,0]=4 529 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 530 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 531 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|1,0,2]=4 532 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,0,0,0,0|2,0,0]=3 533 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,0,0,0,0|2,0,0]=3 534 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,0,0,0,0|2,0,0]=3 535 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,0,0,0,0|2,0,0]=3 536 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|1,0,0]=2 537 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|1,0,0]=2 538 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|1,0,0]=2 539 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|1,0,0]=2 540 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,0,0,0,0,0|3,0,0]=4 541 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,0,0,0,0,0|3,0,0]=4 542 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,0,0,0,0,0|3,0,0]=4 543 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|1,0,2]=4 544 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|1,0,2]=4 545 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|1,0,2]=4 546 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|1,0,2]=4 547 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|1,0,2]=4 548 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,0,0,0,0,0|2,0,0]=3 549 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|2,0,0]=3 550 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|2,0,0]=3 551 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|2,0,0]=3 552 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|1,0,0]=2 553 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [1,0,0,0,0,0|3,0,0]=4 554 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 555 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,0,0,0,0|3,0,0]=4 556 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,0,0,0,0|3,0,0]=4 557 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,0,0,0,0|3,0,0]=4 558 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 559 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,0,0,0,0|3,0,0]=4 560 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,0,0,0,0,0|2,0,0]=3 561 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,0,0,0,0,0|3,0,0]=4 562 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,0,0,0,0,0|3,0,0]=4 563 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,0,0,0,0,0|3,0,0]=4 564 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,0,0,0,0,0|3,0,0]=4 565 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|1,0,2]=4 566 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|1,0,2]=4 567 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|1,0,2]=4 568 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|1,0,2]=4 569 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|1,0,2]=4 570 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,0,0,0,0|2,0,0]=3 571 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,0,0,0,0|2,0,0]=3 572 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|1,0,0]=2 573 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|1,0,0]=2 574 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 575 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,0,0,0,0,0|3,0,0]=4 576 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,0,0,0,0,0|3,0,0]=4 577 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,0,0,0,0,0|3,0,0]=4 578 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,0,0,0,0,0|3,0,0]=4 579 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 580 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,0,0,0,0,0|3,0,0]=4 581 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,0,0,0,0,0|3,0,0]=4 582 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,0,0,0,0,0|3,0,0]=4 583 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,0,0,0,0,0|3,0,0]=4 584 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,0,0,0,0,0|3,0,0]=4 585 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,0,0,0,0,0|3,0,0]=4 586 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,0,0,0,0,0|3,0,0]=4 587 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,0,0,0,0,0|3,0,0]=4 588 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,0,0,0,0,0|3,0,0]=4 589 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|2,0,0]=3 590 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,0,0,0,0,0|3,0,0]=4 591 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,0,0,0,0,0|2,0,0]=3 592 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,0,0,0,0,0|2,0,0]=3 593 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [1,0,0,0,0,0|3,0,0]=4 594 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [1,0,0,0,0,0|2,0,1]=4 595 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [1,0,0,0,0,0|2,0,1]=4 596 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [1,0,0,0,0,0|2,0,1]=4 597 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [1,0,0,0,0,0|2,0,1]=4 598 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [1,0,0,0,0,0|2,0,1]=4 599 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [1,0,0,0,0,0|2,0,1]=4 600 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [1,0,0,0,0,0|2,0,1]=4 601 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [1,0,0,0,0,0|2,0,1]=4 602 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [1,0,0,0,0,0|2,0,1]=4 603 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [1,0,0,0,0,0|2,0,1]=4 604 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [1,0,0,0,0,0|2,0,1]=4 605 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [1,0,0,0,0,0|2,0,1]=4 606 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [1,0,0,0,0,0|2,0,1]=4 607 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [1,0,0,0,0,0|2,0,1]=4 608 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [1,0,0,0,0,0|2,0,1]=4 609 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [1,0,0,0,0,0|2,0,1]=4 610 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,0,0,0,0,0|2,0,1]=4 611 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,0,0,0,0,0|2,0,1]=4 612 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,0,0,0,0,0|2,0,1]=4 613 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,0,0,0,0,0|2,0,1]=4 614 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [1,0,0,0,0,0|2,0,1]=4 615 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [1,0,0,0,0,0|1,0,2]=4 616 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [1,0,0,0,0,0|1,0,2]=4 617 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [1,0,0,0,0,0|1,0,2]=4 618 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [1,0,0,0,0,0|2,0,1]=4 619 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [1,0,0,0,0,0|2,0,1]=4 620 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [1,0,0,0,0,0|1,0,2]=4 621 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [1,0,0,0,0,0|2,0,1]=4 622 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [1,0,0,0,0,0|1,0,2]=4 623 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,0,0,0,0|2,0,1]=4 624 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,0,0,0,0|2,0,1]=4 625 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,0,0,0,0|2,0,1]=4 626 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,0,0,0,0|2,0,1]=4 627 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,0,0,0,0|2,0,1]=4 628 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,0,0,0,0|2,0,1]=4 629 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,0,0,0,0|2,0,1]=4 630 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|2,0,1]=4 631 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|2,0,1]=4 632 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|2,0,1]=4 633 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|2,0,1]=4 634 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|2,0,1]=4 635 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,0,0,0,0|2,0,1]=4 636 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,0,0,0,0|2,0,1]=4 637 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,0,0,0,0|2,0,1]=4 638 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,0,0,0,0|2,0,1]=4 639 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|2,0,1]=4 640 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|2,0,1]=4 641 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|2,0,1]=4 642 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|2,0,1]=4 643 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|2,0,1]=4 644 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|2,0,1]=4 645 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|2,0,1]=4 646 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,0,0,0,0|1,0,2]=4 647 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,0,0,0,0|1,0,2]=4 648 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,0,0,0,0|1,0,2]=4 649 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|2,0,1]=4 650 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|2,0,1]=4 651 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,0,0,0,0|1,0,2]=4 652 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|2,0,1]=4 653 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|2,0,1]=4 654 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,0,0,0,0|1,0,2]=4 655 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,0,0,0,0|1,0,2]=4 656 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [1,0,0,0,0,0|2,0,1]=4 657 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|2,0,0]=3 658 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|2,0,0]=3 659 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|2,0,0]=3 660 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|2,0,0]=3 661 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|2,0,0]=3 662 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|2,0,0]=3 663 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|2,0,0]=3 664 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|2,0,0]=3 665 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|2,0,0]=3 666 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|2,0,0]=3 667 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|2,0,0]=3 668 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|2,0,0]=3 669 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|2,0,0]=3 670 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|2,0,0]=3 671 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|2,0,0]=3 672 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|2,0,0]=3 673 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|2,0,0]=3 674 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|2,0,0]=3 675 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|2,0,0]=3 676 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|2,0,0]=3 677 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|2,0,0]=3 678 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,0,0]=3 679 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,0,0]=3 680 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|2,0,0]=3 681 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|2,0,0]=3 682 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|2,0,0]=3 683 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|2,0,0]=3 684 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,0,0,0,0|2,0,0]=3 685 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|1,0,0]=2 686 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|1,0,0]=2 687 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,0,0,0,0|1,0,2]=4 688 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,0,0,0,0|2,0,0]=3 689 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|2,0,0]=3 690 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,0,0,0,0|2,0,0]=3 691 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,0,0,0,0|2,0,0]=3 692 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|1,0,0]=2 693 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|3,0,0]=4 694 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [1,0,0,0,0,0|2,0,1]=4 695 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [1,0,0,0,0,0|2,0,1]=4 696 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|1,0,2]=4 697 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|1,0,2]=4 698 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|2,0,0]=3 699 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,0,0,0,0|2,0,0]=3 700 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,0,0,0,0|2,0,0]=3 701 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|1,0,0]=2 702 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|1,0,0]=2 703 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|3,0,0]=4 704 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|3,0,0]=4 705 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|3,0,0]=4 706 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|3,0,0]=4 707 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [1,0,0,0,0,0|2,0,1]=4 708 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,0,0,0,0|2,0,0]=3 709 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,0,0,0,0|2,0,0]=3 710 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,0,0,0,0|2,0,0]=3 711 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|1,0,0]=2 712 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,0,0,0,0|3,0,0]=4 713 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,0,0,0,0|3,0,0]=4 714 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|3,0,0]=4 715 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|3,0,0]=4 716 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|2,0,0]=3 717 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|2,0,0]=3 718 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|2,0,0]=3 719 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|2,0,0]=3 720 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|2,0,0]=3 721 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|1,0,0]=2 722 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|3,0,0]=4 723 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|3,0,0]=4 724 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|3,0,0]=4 725 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|3,0,0]=4 726 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|3,0,0]=4 727 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|3,0,0]=4 728 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|3,0,0]=4 729 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|3,0,0]=4 730 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|3,0,0]=4 731 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|3,0,0]=4 732 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|3,0,0]=4 733 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|3,0,0]=4 734 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,0,0,0,0,0|3,0,0]=4 735 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|3,0,0]=4 736 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|3,0,0]=4 737 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|3,0,0]=4 738 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|3,0,0]=4 739 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|3,0,0]=4 740 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|3,0,0]=4 741 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|3,0,0]=4 742 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|3,0,0]=4 743 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|3,0,0]=4 744 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|3,0,0]=4 745 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|3,0,0]=4 746 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [1,0,0,0,0,0|3,0,0]=4 747 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [1,0,0,0,0,0|3,0,0]=4 748 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,0,0,0,0,0|2,0,1]=4 749 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,0,0,0,0,0|2,0,1]=4 750 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|2,0,0]=3 751 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|2,0,0]=3 752 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|1,0,0]=2 753 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|1,0,0]=2 754 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|3,0,0]=4 755 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|3,0,0]=4 756 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|3,0,0]=4 757 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|3,0,0]=4 758 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|3,0,0]=4 759 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|3,0,0]=4 760 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|3,0,0]=4 761 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|3,0,0]=4 762 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|3,0,0]=4 763 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|3,0,0]=4 764 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|3,0,0]=4 765 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|3,0,0]=4 766 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|3,0,0]=4 767 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|3,0,0]=4 768 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|3,0,0]=4 769 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|3,0,0]=4 770 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|3,0,0]=4 771 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|3,0,0]=4 772 B6R0.6 CNCC#CCO 2230a_106832991635_200000047223 [1,0,0,0,0,0|1,0,2]=4 773 B6R0.6 CNCC#CCO 34a_100102657272_200000047223 [1,0,0,0,0,0|1,0,2]=4 774 B6R0.6 CNCC#CCO 7a_106832991635_200000047223 [1,0,0,0,0,0|1,0,2]=4 775 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [1,0,0,0,0,0|2,0,1]=4 776 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [1,0,0,0,0,0|2,0,1]=4 777 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,0,0,0,0|1,0,2]=4 778 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,0,0,0,0|1,0,2]=4 779 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,0,0,0,0,0|2,0,0]=3 780 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,0,0,0,0,0|2,0,0]=3 781 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,0,0,0,0,0|2,0,0]=3 782 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,0,0,0,0|1,0,0]=2 783 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,0,0,0,0|1,0,0]=2 784 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,0,0,0,0|1,0,0]=2 785 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,0,0,0,0|1,0,0]=2 786 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,0,0,0,0|1,0,0]=2 787 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,0,0,0,0,0|3,0,0]=4 788 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 789 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,0,0,0,0,0|3,0,0]=4 790 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,0,0,0,0,0|3,0,0]=4 791 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,0,0,0,0,0|3,0,0]=4 792 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 793 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,0,0,0,0|3,0,0]=4 794 B6R0.6 COCC#CCO 34a_100138415774_200000047223 [1,0,0,0,0,0|1,0,2]=4 795 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,0,0,0,0,0|2,0,0]=3 796 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,0,0,0,0,0|2,0,0]=3 797 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,0,0,0,0,0|2,0,0]=3 798 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,0,0,0,0,0|2,0,0]=3 799 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,0,0,0,0,0|2,0,0]=3 800 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,0,0,0,0,0|2,0,0]=3 801 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,0,0,0,0,0|2,0,0]=3 802 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,0,0,0,0|2,0,0]=3 803 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,0,0,0,0|1,0,0]=2 804 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,0,0,0,0,0|3,0,0]=4 805 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,0,0,0,0,0|3,0,0]=4 806 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,0,0,0,0,0|3,0,0]=4 807 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,0,0,0,0,0|3,0,0]=4 808 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,0,0,0,0,0|3,0,0]=4 809 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,0,0,0,0,0|3,0,0]=4 810 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,0,0,0,0,0|3,0,0]=4 811 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,0,0,0,0,0|3,0,0]=4 812 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,0,0,0,0,0|3,0,0]=4 813 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,0,0,0,0,0|3,0,0]=4 814 B6R0.6 COCCOCF 34a_100000210237_100015361967 [1,0,0,0,0,0|3,0,0]=4 815 B6R0.6 COCCSCF 62a_100000233755_100015361967 [1,0,0,0,0,0|3,0,0]=4 816 B6R0.6 COCCSCF 62a_100015361967_100000233755 [1,0,0,0,0,0|3,0,0]=4 817 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,0,0,0,0,0|2,0,0]=3 818 B6R0.6 COCSCCF 62a_100000766300_100011217306 [1,0,0,0,0,0|3,0,0]=4 819 B6R0.6 COCSCCF 62a_100011217306_100000766300 [1,0,0,0,0,0|3,0,0]=4 820 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,0,0,0,0,0|2,0,0]=3 821 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,0,0,0,0,0|2,0,0]=3 822 B6R0.6 CSCC#CCO 62a_200000047223_200000210301 [1,0,0,0,0,0|1,0,2]=4 823 B6R0.6 CSCC#CCO 62a_200000210301_200000047223 [1,0,0,0,0,0|1,0,2]=4 824 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [1,0,0,0,0,0|2,0,1]=4 825 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [1,0,0,0,0,0|2,0,1]=4 826 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|1,0,2]=4 827 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|1,0,2]=4 828 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,0,0,0,0|2,0,0]=3 829 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,0,0,0,0|2,0,0]=3 830 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|1,0,0]=2 831 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|1,0,0]=2 832 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,0,0,0,0|3,0,0]=4 833 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,0,0,0,0,0|3,0,0]=4 834 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,0,0,0,0,0|3,0,0]=4 835 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 836 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,0,0,0,0,0|3,0,0]=4 837 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [1,0,0,0,0,0|3,0,0]=4 838 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [1,0,0,0,0,0|3,0,0]=4 839 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [1,0,0,0,0,0|3,0,0]=4 840 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,0,0,0,0|2,0,0]=3 841 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,0,0,0,0|2,0,0]=3 842 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [1,0,0,0,0,0|3,0,0]=4 843 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [1,0,0,0,0,0|3,0,0]=4 844 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [1,0,0,0,0,0|3,0,0]=4 845 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [1,0,0,0,0,0|3,0,0]=4 846 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,0,0,0,0|2,0,0]=3 847 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,0,0,0,0|2,0,0]=3 848 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [1,0,0,0,0,0|3,0,0]=4 849 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [1,0,0,0,0,0|3,0,0]=4 850 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [1,0,0,0,0,0|3,0,0]=4 851 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [1,0,0,0,0,0|3,0,0]=4 852 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [1,0,0,0,0,0|3,0,0]=4 853 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [1,0,0,0,0,0|3,0,0]=4 854 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [1,0,0,0,0,0|3,0,0]=4 855 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [1,0,0,0,0,0|3,0,0]=4 856 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [1,0,0,0,0,0|3,0,0]=4 857 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [1,0,0,0,0,0|2,0,1]=4 858 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [1,0,0,0,0,0|2,0,1]=4 859 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [1,0,0,0,0,0|2,0,1]=4 860 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,0,0,0,0,0|3,0,0]=4 861 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [1,0,0,0,0,0|3,0,0]=4 862 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,0,0,0,0|2,0,0]=3 863 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,0,0,0,0|2,0,1]=4 864 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,0,0,0,0|2,0,1]=4 865 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,0,0,0,0|2,0,1]=4 866 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,0,0,0,0|2,0,1]=4 867 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,0,0,0,0,0|2,0,0]=3 868 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,0,0,0,0,0|2,0,0]=3 869 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,0,0,0,0,0|2,0,0]=3 870 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,0,0,0,0,0|2,0,0]=3 871 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,0,0,0,0,0|2,0,0]=3 872 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,0,0,0,0,0|2,0,0]=3 873 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,0,0,0,0,0|2,0,0]=3 874 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,0,0,0,0,0|2,0,0]=3 875 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,0,0,0,0,0|2,0,0]=3 876 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,0,0,0,0,0|2,0,0]=3 877 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,0,0,0,0,0|2,0,0]=3 878 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,0,0,0,0|1,0,0]=2 879 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,0,0,0,0|1,0,0]=2 880 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,0,0,0,0,0|2,0,0]=3 881 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,0,0,0,0,0|2,0,0]=3 882 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,0,0,0,0,0|2,0,0]=3 883 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,0,0,0,0,0|2,0,0]=3 884 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,0,0,0,0,0|2,0,0]=3 885 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,0,0,0,0,0|2,0,0]=3 886 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,0,0,0,0|2,0,0]=3 887 B6R0.6 [13CH3]SCC#CCO 62a_200000047223_200025704644 [1,0,0,0,0,0|1,0,2]=4 888 B6R0.6 [13CH3]SCC#CCO 62a_200025704644_200000047223 [1,0,0,0,0,0|1,0,2]=4 889 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [1,0,0,0,0,0|2,0,1]=4 890 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [1,0,0,0,0,0|2,0,1]=4 891 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|1,0,2]=4 892 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|1,0,2]=4 893 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,0,0,0,0|2,0,0]=3 894 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,0,0,0,0|2,0,0]=3 895 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|1,0,0]=2 896 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|1,0,0]=2 897 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,0,0,0,0|1,0,2]=4 898 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,0,0,0,0|1,0,2]=4 899 B8R0.1 C#CCC(C)OCCC 34a_100000685586_100000210303 [0,1,0,0,0,0|3,0,0]=4 900 B8R0.1 C#CCC(C)OCCC 7a_100000685586_100000210303 [0,1,0,0,0,0|3,0,0]=4 901 B8R0.1 C#CCN(C)CCCC 2230a_100000207549_100000038162 [0,1,0,0,0,0|3,0,0]=4 902 B8R0.1 C#CCN(C)CCCC 2230a_100000225692_100000210211 [0,1,0,0,0,0|3,0,0]=4 903 B8R0.1 C#CCN(C)CCCC 34a_100000225692_100000210210 [0,1,0,0,0,0|3,0,0]=4 904 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,0,0,0,0|1,0,2]=4 905 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,0,0,0,0|1,0,2]=4 906 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,1,0,0,0,0|3,0,0]=4 907 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,1,0,0,0,0|3,0,0]=4 908 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [0,1,0,0,0,0|3,0,0]=4 909 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [0,1,0,0,0,0|3,0,0]=4 910 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [0,1,0,0,0,0|3,0,0]=4 911 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [0,1,0,0,0,0|3,0,0]=4 912 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,1,0,0,0,0|3,0,0]=4 913 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,1,0,0,0,0|3,0,0]=4 914 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [0,1,0,0,0,0|3,0,0]=4 915 B8R0.1 CC(CCCCl)OCF 34a_200000718107_100015361967 [0,1,0,0,0,0|3,0,0]=4 916 B8R0.1 CC(CCCCl)OCF 7a_200000718107_100015361967 [0,1,0,0,0,0|3,0,0]=4 917 B8R0.1 CC(CCO)NCCF 34a_100000724931_100009893172 [0,1,0,0,0,0|3,0,0]=4 918 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [0,1,0,0,0,0|3,0,0]=4 919 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [0,1,0,0,0,0|3,0,0]=4 920 B8R0.1 CC(CCO)OCCBr 34a_100000211926_100009893172 [0,1,0,0,0,0|3,0,0]=4 921 B8R0.1 CC(CCO)OCCN 34a_100000210304_100009893172 [0,1,0,0,0,0|3,0,0]=4 922 B8R0.1 CC(CCO)SCCF 62a_100009893172_100011217306 [0,1,0,0,0,0|3,0,0]=4 923 B8R0.1 CC(CCO)SCCF 62a_100011217306_100009893172 [0,1,0,0,0,0|3,0,0]=4 924 B8R0.1 CC(CCO)SCCO 62a_100000211926_100009893172 [0,1,0,0,0,0|3,0,0]=4 925 B8R0.1 CC(CCO)SCCO 62a_100009893172_100000211926 [0,1,0,0,0,0|3,0,0]=4 926 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,1,0,0,0,0|3,0,0]=4 930 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,1,0,0,0,0|3,0,0]=4 931 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,1,0,0,0,0|3,0,0]=4 932 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,0,0,0,0|3,0,0]=4 933 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,0,0,0,0|3,0,0]=4 934 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,0,0,0,0|3,0,0]=4 935 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,1,0,0,0,0|3,0,0]=4 936 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,1,0,0,0,0|3,0,0]=4 937 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,0,0,0,0|1,0,2]=4 938 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,0,0,0,0|1,0,2]=4 939 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,0,0,0,0|1,0,2]=4 940 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,0,0,0,0|1,0,2]=4 941 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,0,0,0,0|1,0,2]=4 942 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,0,0,0,0|0,0,2]=3 943 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,0,0,0,0|0,0,2]=3 944 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,0,0,0,0|0,0,2]=3 945 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,0,0,0,0|0,1,2]=4 946 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 947 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 948 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,0,0,0,0|1,0,2]=4 949 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,1,0,0,0,0|1,0,0]=2 950 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,1,0,0,0,0|1,0,0]=2 951 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,1,0,0,0,0|1,0,0]=2 952 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,1,0,0,0,0|1,0,0]=2 953 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,1,0,0,0,0|2,0,0]=3 954 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,1,0,0,0,0|2,0,0]=3 955 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,1,0,0,0,0|2,0,0]=3 956 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|2,0,0]=3 957 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|2,0,0]=3 958 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|2,0,0]=3 959 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,1,0,0,0,0|2,0,0]=3 960 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,1,0,0,0,0|2,0,0]=3 961 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,1,0,0,0,0|2,0,0]=3 962 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,1,0,0,0,0|2,0,0]=3 963 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,1,0,0,0,0|2,0,0]=3 964 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,1,0,0,0,0|2,0,0]=3 965 B8R0.1 CCCCN(C)CC#N 2230a_100000207549_100011215382 [0,1,0,0,0,0|3,0,0]=4 966 B8R0.1 CCCCN(C)CC#N 2230a_100000748184_100000210211 [0,1,0,0,0,0|3,0,0]=4 967 B8R0.1 CCCCN(C)CC#N 2230a_200011192266_200000210301 [0,1,0,0,0,0|3,0,0]=4 968 B8R0.1 CCCCN(C)CC#N 269982a_100000207549_100011214920 [0,1,0,0,0,0|3,0,0]=4 969 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,1,0,0,0,0|2,0,1]=4 970 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,1,0,0,0,0|2,0,1]=4 971 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,1,0,0,0,0|3,0,0]=4 972 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,1,0,0,0,0|3,0,0]=4 973 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,1,0,0,0,0|3,0,0]=4 974 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,1,0,0,0,0|3,0,0]=4 975 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,1,0,0,0,0|3,0,0]=4 976 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,1,0,0,0,0|3,0,0]=4 977 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [0,1,0,0,0,0|3,0,0]=4 978 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [0,1,0,0,0,0|3,0,0]=4 979 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,1,0,0,0,0|2,0,0]=3 980 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,1,0,0,0,0|2,0,0]=3 981 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,1,0,0,0,0|2,0,0]=3 982 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,1,0,0,0,0|2,0,0]=3 983 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,1,0,0,0,0|2,0,0]=3 984 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,1,0,0,0,0|2,0,0]=3 985 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,1,0,0,0,0|2,0,0]=3 986 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,1,0,0,0,0|2,0,0]=3 987 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,1,0,0,0,0|2,1,0]=4 988 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,1,0,0,0,0|2,1,0]=4 989 B8R0.1 CCCCN([13CH3])CC#N 2230a_200011192266_200025704644 [0,1,0,0,0,0|3,0,0]=4 990 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,1,0,0,0,0|3,0,0]=4 991 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,1,0,0,0,0|3,0,0]=4 992 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,1,0,0,0,0|2,0,0]=3 993 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,1,0,0,0,0|2,0,0]=3 994 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,1,0,0,0,0|1,0,0]=2 995 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,1,0,0,0,0|1,0,0]=2 996 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,0,0,0,0|1,0,2]=4 997 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,0,0,0,0|1,0,2]=4 998 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,0,0,0,0|1,0,2]=4 999 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,0,0,0,0|1,0,2]=4 1000 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,0,0,0,0|1,0,2]=4 1001 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,0,0,0,0|1,0,2]=4 1002 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,1,0,0,0,0|3,0,0]=4 1003 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,1,0,0,0,0|3,0,0]=4 1004 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,1,0,0,0,0|2,0,0]=3 1005 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,1,0,0,0,0|2,1,0]=4 1006 B8R0.1 CCCN[C@@H](C)CC#N 2230a_100016994482_100000210303 [0,1,0,0,0,0|3,0,0]=4 1007 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,1,0,0,0,0|2,0,0]=3 1008 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,1,0,0,0,0|2,0,0]=3 1009 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,1,0,0,0,0|2,0,0]=3 1010 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,0,0,0,0|1,0,2]=4 1011 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,1,0,0,0,0|3,0,0]=4 1012 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,0,0,0,0|3,0,0]=4 1013 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,0,0,0,0|3,0,0]=4 1014 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,0,0,0,0|3,0,0]=4 1015 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,1,0,0,0,0|2,0,0]=3 1016 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,1,0,0,0,0|3,0,0]=4 1017 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,1,0,0,0,0|3,0,0]=4 1018 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,1,0,0,0,0|3,0,0]=4 1019 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,1,0,0,0,0|3,0,0]=4 1020 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,1,0,0,0,0|2,0,0]=3 1021 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,1,0,0,0,0|2,0,0]=3 1022 B8R0.1 CCCSC(C)CC#N 62a_100000210303_100009813641 [0,1,0,0,0,0|3,0,0]=4 1023 B8R0.1 CCCSC(C)CC#N 62a_100009813641_100000210303 [0,1,0,0,0,0|3,0,0]=4 1024 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,1,0,0,0,0|3,0,0]=4 1025 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,1,0,0,0,0|3,0,0]=4 1026 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,1,0,0,0,0|2,0,0]=3 1027 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,1,0,0,0,0|2,0,0]=3 1028 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,1,0,0,0,0|2,0,0]=3 1029 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,1,0,0,0,0|2,0,0]=3 1030 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,1,0,0,0,0|3,0,0]=4 1031 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,1,0,0,0,0|3,0,0]=4 1032 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,1,0,0,0,0|3,0,0]=4 1033 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,1,0,0,0,0|3,0,0]=4 1034 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,1,0,0,0,0|3,0,0]=4 1035 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [0,1,0,0,0,0|3,0,0]=4 1036 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,0,0,0,0|1,0,2]=4 1037 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [0,1,0,0,0,0|1,0,0]=2 1038 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [0,1,0,0,0,0|1,0,0]=2 1039 B8R0.1 CCNC[C@@H](O)CC#N 2230a_100015525214_100000001066 [0,1,0,0,0,0|2,0,0]=3 1040 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,1,0,0,0,0|3,0,0]=4 1041 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,1,0,0,0,0|3,0,0]=4 1042 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,0,0,0,0|1,0,2]=4 1043 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,0,0,0,0|1,0,2]=4 1044 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,1,0,0,0,0|3,0,0]=4 1045 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,1,0,0,0,0|3,0,0]=4 1046 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,1,0,0,0,0|3,0,0]=4 1047 B8R0.1 CCOCC(C)OCF 34a_100000718985_100015361967 [0,1,0,0,0,0|3,0,0]=4 1048 B8R0.1 CCOCC(C)OCF 7a_100000718985_100015361967 [0,1,0,0,0,0|3,0,0]=4 1049 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [0,1,0,0,0,0|2,0,0]=3 1050 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [0,1,0,0,0,0|2,0,0]=3 1051 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [0,1,0,0,0,0|2,0,0]=3 1052 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [0,1,0,0,0,0|2,0,0]=3 1053 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [0,1,0,0,0,0|2,0,0]=3 1054 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [0,1,0,0,0,0|1,0,0]=2 1055 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [0,1,0,0,0,0|3,0,0]=4 1056 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,0,0,0,0|1,0,2]=4 1057 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,1,0,0,0,0|1,0,2]=4 1058 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,1,0,0,0,0|1,0,2]=4 1059 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [0,1,0,0,0,0|1,0,0]=2 1060 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [0,1,0,0,0,0|1,0,0]=2 1061 B8R0.1 CCSC[C@@H](O)CC#N 62a_100000001066_100000210202 [0,1,0,0,0,0|2,0,0]=3 1062 B8R0.1 CCSC[C@@H](O)CC#N 62a_100000210202_100000001066 [0,1,0,0,0,0|2,0,0]=3 1063 B8R0.1 CN(CCO)CCCF 2230a_100000210263_100011934791 [0,1,0,0,0,0|3,0,0]=4 1064 B8R0.1 CN(CCO)CCCF 269982a_100000210263_100011934791 [0,1,0,0,0,0|3,0,0]=4 1065 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [0,1,0,0,0,0|3,0,0]=4 1066 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [0,1,0,0,0,0|3,0,0]=4 1067 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [0,1,0,0,0,0|3,0,0]=4 1068 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [0,1,0,0,0,0|3,0,0]=4 1069 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [0,1,0,0,0,0|3,0,0]=4 1070 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [0,1,0,0,0,0|3,0,0]=4 1071 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,1,0,0,0,0|3,0,0]=4 1072 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,1,0,0,0,0|3,0,0]=4 1073 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,0,0,0,0|1,0,2]=4 1074 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,0,0,0,0|1,0,2]=4 1075 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,0,0,0,0|1,0,2]=4 1076 B8R0.1 COCC(C)NCCF 34a_100000724931_100000765312 [0,1,0,0,0,0|3,0,0]=4 1077 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [0,1,0,0,0,0|3,0,0]=4 1078 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [0,1,0,0,0,0|3,0,0]=4 1079 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [0,1,0,0,0,0|3,0,0]=4 1080 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [0,1,0,0,0,0|3,0,0]=4 1081 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [0,1,0,0,0,0|3,0,0]=4 1082 B8R0.1 COCC(C)SCCF 62a_100000765312_100011217306 [0,1,0,0,0,0|3,0,0]=4 1083 B8R0.1 COCC(C)SCCF 62a_100011217306_100000765312 [0,1,0,0,0,0|3,0,0]=4 1084 B8R0.1 COCC(C)SCCO 62a_100000211926_100000765312 [0,1,0,0,0,0|3,0,0]=4 1085 B8R0.1 COCC(C)SCCO 62a_100000765312_100000211926 [0,1,0,0,0,0|3,0,0]=4 1086 B8R0.1 COCC(C)SCSC 62a_100000765312_100011218213 [0,1,0,0,0,0|3,0,0]=4 1087 B8R0.1 COCC(C)SCSC 62a_100011218213_100000765312 [0,1,0,0,0,0|3,0,0]=4 1088 B8R0.1 COCC(N)COCF 34a_100000724102_100015361967 [0,1,0,0,0,0|3,0,0]=4 1089 B8R0.1 COCC(O)CNCF 34a_100000756049_100015361967 [0,1,0,0,0,0|2,0,0]=3 1090 B8R0.1 COCC(O)CSCF 62a_100011215053_100015361967 [0,1,0,0,0,0|2,0,0]=3 1091 B8R0.1 COCC(O)CSCF 62a_100015361967_100011215053 [0,1,0,0,0,0|2,0,0]=3 1092 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,1,0,0,0,0|1,0,2]=4 1093 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,1,0,0,0,0|1,0,2]=4 1094 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,0,0,0,0|1,0,2]=4 1095 B8R0.1 COCCN(C)CCO 2230a_100000210263_100011201679 [0,1,0,0,0,0|3,0,0]=4 1096 B8R0.1 COCCN(C)CCO 2230a_100000743101_100000211926 [0,1,0,0,0,0|3,0,0]=4 1097 B8R0.1 COCCN(C)CCO 269982a_100000210263_100000233755 [0,1,0,0,0,0|3,0,0]=4 1098 B8R0.1 COCCN(C)CCO 269982a_100000743101_100000211926 [0,1,0,0,0,0|3,0,0]=4 1099 B8R0.1 COCCN(C)COC 2230a_100000743101_100000766300 [0,1,0,0,0,0|3,0,0]=4 1100 B8R0.1 COCCN(C)COC 269982a_100000743101_100000766300 [0,1,0,0,0,0|3,0,0]=4 1101 B8R0.1 COCN(C)CCCO 2230a_100000213112_100000766300 [0,1,0,0,0,0|3,0,0]=4 1102 B8R0.1 COCN(C)CCCO 269982a_100000213112_100000766300 [0,1,0,0,0,0|3,0,0]=4 1103 B8R0.1 COCN(C)CCSC 2230a_100000686725_100000766300 [0,1,0,0,0,0|3,0,0]=4 1104 B8R0.1 COCN(C)CCSC 269982a_100000686725_100000766300 [0,1,0,0,0,0|3,0,0]=4 1105 B8R0.1 COCN[C@H](C)CCO 2230a_100000706166_100000766300 [0,1,0,0,0,0|3,0,0]=4 1106 B8R0.1 COCN[C@H](C)COC 2230a_100000764878_100000766300 [0,1,0,0,0,0|3,0,0]=4 1107 B8R0.1 COCO[C@H](C)COC 34a_100016172286_200000210301 [0,1,0,0,0,0|3,0,0]=4 1108 B8R0.1 COCO[C@H](C)COC 7a_100016172286_200000210301 [0,1,0,0,0,0|3,0,0]=4 1109 B8R0.1 COCO[C@H](C)CO[13CH3] 34a_100016172286_200025704644 [0,1,0,0,0,0|3,0,0]=4 1110 B8R0.1 COCO[C@H](C)CO[13CH3] 7a_100016172286_200025704644 [0,1,0,0,0,0|3,0,0]=4 1111 B8R0.1 COCSC(C)CCO 62a_100000766300_100009893172 [0,1,0,0,0,0|3,0,0]=4 1112 B8R0.1 COCSC(C)CCO 62a_100009893172_100000766300 [0,1,0,0,0,0|3,0,0]=4 1113 B8R0.1 COCSC(C)COC 62a_100000765312_100000766300 [0,1,0,0,0,0|3,0,0]=4 1114 B8R0.1 COCSC(C)COC 62a_100000766300_100000765312 [0,1,0,0,0,0|3,0,0]=4 1115 B8R0.1 COC[C@@H](C)NCCF 2230a_100000764878_100011217306 [0,1,0,0,0,0|3,0,0]=4 1116 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [0,1,0,0,0,0|3,0,0]=4 1117 B8R0.1 COC[C@@H](C)NCSC 2230a_100000764878_100011218213 [0,1,0,0,0,0|3,0,0]=4 1118 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [0,1,0,0,0,0|3,0,0]=4 1119 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,1,0,0,0,0|3,0,0]=4 1120 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,1,0,0,0,0|3,0,0]=4 1121 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [0,1,0,0,0,0|2,0,0]=3 1122 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,0,0,0,0|1,0,2]=4 1123 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,0,0,0,0|1,0,2]=4 1124 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [0,1,0,0,0,0|3,0,0]=4 1125 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [0,1,0,0,0,0|3,0,0]=4 1126 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [0,1,0,0,0,0|3,0,0]=4 1127 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [0,1,0,0,0,0|3,0,0]=4 1128 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [0,1,0,0,0,0|2,0,0]=3 1129 B8R0.1 CSCN[C@H](C)CCO 2230a_100000706166_100011218213 [0,1,0,0,0,0|3,0,0]=4 1130 B8R0.1 CSCN[C@H](C)CCO 34a_100000706166_100011218213 [0,1,0,0,0,0|3,0,0]=4 1131 B8R0.1 CSCSC(C)CCO 62a_100009893172_100011218213 [0,1,0,0,0,0|3,0,0]=4 1132 B8R0.1 CSCSC(C)CCO 62a_100011218213_100009893172 [0,1,0,0,0,0|3,0,0]=4 1133 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,1,0,0,0,0|3,0,0]=4 1134 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|3,0,0]=4 1135 B8R0.1 C[C@H](CCO)NCCF 2230a_100000706166_100011217306 [0,1,0,0,0,0|3,0,0]=4 1136 B8R0.1 C[C@H](CCO)NCCF 34a_100000706166_100011217306 [0,1,0,0,0,0|3,0,0]=4 1137 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [0,1,0,0,0,0|3,0,0]=4 1138 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [0,1,0,0,0,0|3,0,0]=4 1139 B8R0.1 N#CC[C@H](O)CSCF 62a_100000001066_100015361967 [0,1,0,0,0,0|3,0,0]=4 1140 B8R0.1 N#CC[C@H](O)CSCF 62a_100015361967_100000001066 [0,1,0,0,0,0|3,0,0]=4 1141 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,0,0,0,0|1,0,2]=4 1142 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,0,0,0,0|1,0,2]=4 1143 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [0,1,0,0,0,0|3,0,0]=4 1144 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [0,1,0,0,0,0|3,0,0]=4 1145 B8R0.3 C#CCC(=O)C(O)CO 1458a_100011215603_100000184674 [0,1,0,0,0,0|0,0,3]=4 1146 B8R0.3 C=CCC(=O)C(O)CO 1458a_100011215603_100000210623 [0,1,0,0,0,0|0,0,3]=4 1147 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,0,0,0,0|1,0,2]=4 1148 B8R0.3 CC(CO)N(C)CCF 2230a_100000693034_100011217306 [0,1,0,0,0,0|3,0,0]=4 1149 B8R0.3 CC(CO)N(C)CCF 269982a_100000693034_100011217306 [0,1,0,0,0,0|3,0,0]=4 1150 B8R0.3 CC(CO)N(C)CCO 2230a_100000210263_100012180447 [0,1,0,0,0,0|3,0,0]=4 1151 B8R0.3 CC(CO)N(C)CCO 2230a_100000693034_100000211926 [0,1,0,0,0,0|3,0,0]=4 1152 B8R0.3 CC(CO)N(C)CCO 269982a_100000693034_100000211926 [0,1,0,0,0,0|3,0,0]=4 1153 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,1,0,0,0,0|2,0,1]=4 1154 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,1,0,0,0,0|2,0,1]=4 1155 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,0,0,0,0|2,0,1]=4 1156 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,0,0,0,0|2,0,1]=4 1157 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,0,0,0,0|1,0,1]=3 1158 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,1,0,0,0,0|0,0,1]=2 1159 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|1,0,2]=4 1160 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|1,0,2]=4 1161 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,0,0,0,0|1,0,2]=4 1162 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|0,0,2]=3 1163 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,1,0,0,0,0|3,0,0]=4 1164 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,1,0,0,0,0|3,0,0]=4 1165 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,1,0,0,0,0|3,0,0]=4 1166 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,1,0,0,0,0|3,0,0]=4 1167 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,1,0,0,0,0|3,0,0]=4 1168 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,1,0,0,0,0|3,0,0]=4 1169 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,1,0,0,0,0|3,0,0]=4 1170 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,0,0,0,0|1,0,2]=4 1171 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,0,0,0,0|1,0,2]=4 1172 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,1,0,0,0,0|3,0,0]=4 1173 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,1,0,0,0,0|3,0,0]=4 1174 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1175 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,1,0,0,0,0|3,0,0]=4 1176 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,1,0,0,0,0|3,0,0]=4 1177 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1178 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,1,0,0,0,0|2,0,0]=3 1179 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,1,0,0,0,0|2,0,0]=3 1180 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,1,0,0,0,0|2,0,0]=3 1181 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,1,0,0,0,0|2,0,0]=3 1182 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,1,0,0,0,0|2,0,0]=3 1183 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,1,0,0,0,0|2,0,0]=3 1184 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1185 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1186 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,1,0,0,0,0|2,0,0]=3 1187 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,1,0,0,0,0|2,0,0]=3 1188 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|1,0,2]=4 1189 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,0,0,0,0|1,0,2]=4 1190 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,1,0,0,0,0|2,0,1]=4 1191 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,1,0,0,0,0|1,0,1]=3 1192 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,1,0,0,0,0|3,0,0]=4 1193 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,1,0,0,0,0|3,0,0]=4 1194 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,1,0,0,0,0|3,0,0]=4 1195 B8R0.3 CNNC(=O)C(O)CO 22a_100016993582_100011215603 [0,1,0,0,0,0|2,0,1]=4 1196 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,0,0,0,0|1,0,2]=4 1197 B8R0.3 COCN(C)C(C)CO 2230a_100000693034_100000766300 [0,1,0,0,0,0|3,0,0]=4 1198 B8R0.3 COCN(C)C(C)CO 269982a_100000693034_100000766300 [0,1,0,0,0,0|3,0,0]=4 1199 B8R0.3 CSCN(C)C(C)CO 2230a_100000693034_100011218213 [0,1,0,0,0,0|3,0,0]=4 1200 B8R0.3 CSCN(C)C(C)CO 269982a_100000693034_100011218213 [0,1,0,0,0,0|3,0,0]=4 1201 B8R0.3 C[C@H](CO)N(C)CCO 269982a_100000210263_100016084084 [0,1,0,0,0,0|3,0,0]=4 1202 B8R0.3 N#CCC(=O)C(O)CO 1458a_100011215603_100011214920 [0,1,0,0,0,0|1,0,2]=4 1203 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,1,0,0,0,0|1,0,1]=3 1204 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,1,0,0,0,0|1,0,1]=3 1205 B8R0.6 C#CC(C)NCCCC 2230a_100000707721_100000210211 [0,1,0,0,0,0|2,0,1]=4 1206 B8R0.6 C#CC(C)NCCCC 34a_100000707721_100000210210 [0,1,0,0,0,0|2,0,1]=4 1207 B8R0.6 C#CC(C)OCCCC 34a_100000210227_200000035995 [0,1,0,0,0,0|2,0,1]=4 1208 B8R0.6 C#CC(C)SCCCC 62a_200000035995_100000210210 [0,1,0,0,0,0|2,0,1]=4 1209 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,1,0,0,0,0|0,0,3]=4 1210 B8R0.6 C#CCCNC(C)CO 34a_100000755551_100012180447 [0,1,0,0,0,0|1,0,2]=4 1211 B8R0.6 C#CCCN[C@H](C)CO 2230a_100000737577_100000688953 [0,1,0,0,0,0|1,0,2]=4 1212 B8R0.6 C#CCCOC(C)CO 34a_100011215631_100012180447 [0,1,0,0,0,0|1,0,2]=4 1213 B8R0.6 C#CCCSC(C)CO 62a_100012180447_100000688953 [0,1,0,0,0,0|1,0,2]=4 1214 B8R0.6 C#CCCS[C@H](C)CO 62a_100000688953_100016084084 [0,1,0,0,0,0|1,0,2]=4 1215 B8R0.6 C#CCCS[C@H](C)CO 62a_100016084084_100000688953 [0,1,0,0,0,0|1,0,2]=4 1216 B8R0.6 C#CCNCC(C)CO 34a_100000744482_100000184674 [0,1,0,0,0,0|1,0,2]=4 1217 B8R0.6 C#CCNCC(O)CC 2230a_100011218483_100000038162 [0,1,0,0,0,0|1,0,2]=4 1218 B8R0.6 C#CCNCC(O)CC 34a_100000212058_100011218378 [0,1,0,0,0,0|1,0,2]=4 1219 B8R0.6 C#CCNCC(O)CO 34a_100000212058_100011219619 [0,1,0,0,0,0|0,0,2]=3 1220 B8R0.6 C#CCNC[C@@H](C)CO 34a_100000212058_100000059175 [0,1,0,0,0,0|1,0,2]=4 1221 B8R0.6 C#CCNC[C@@H](F)CO 34a_100015665980_100000184674 [0,1,0,0,0,0|1,0,2]=4 1222 B8R0.6 C#CCNC[C@@H](O)CF 34a_100000212058_100015614560 [0,1,0,0,0,0|1,0,2]=4 1223 B8R0.6 C#CCNC[C@@H](O)CO 34a_100000212058_100009815848 [0,1,0,0,0,0|0,0,2]=3 1224 B8R0.6 C#CCNC[C@H](O)CO 2230a_100020644852_100000038162 [0,1,0,0,0,0|0,0,2]=3 1225 B8R0.6 C#CCOCC(O)CC 34a_100000210247_100011218378 [0,1,0,0,0,0|1,0,2]=4 1226 B8R0.6 C#CCOCC(O)CO 34a_100000210247_100011219619 [0,1,0,0,0,0|0,0,2]=3 1227 B8R0.6 C#CCOC[C@@H](C)CO 34a_100000210247_100000059175 [0,1,0,0,0,0|1,0,2]=4 1228 B8R0.6 C#CCOC[C@@H](O)CF 34a_100000210247_100015614560 [0,1,0,0,0,0|1,0,2]=4 1229 B8R0.6 C#CCOC[C@@H](O)CO 34a_100000210247_100009815848 [0,1,0,0,0,0|0,0,2]=3 1230 B8R0.6 C#CCSCC(O)CC 62a_100000038162_100011218378 [0,1,0,0,0,0|1,0,2]=4 1231 B8R0.6 C#CCSCC(O)CO 62a_100000038162_100011219619 [0,1,0,0,0,0|0,0,2]=3 1232 B8R0.6 C#CCSC[C@@H](C)CO 62a_100000038162_100000059175 [0,1,0,0,0,0|1,0,2]=4 1233 B8R0.6 C#CCSC[C@@H](O)CF 62a_100000038162_100015614560 [0,1,0,0,0,0|1,0,2]=4 1234 B8R0.6 C#CCSC[C@@H](O)CO 62a_100000038162_100009815848 [0,1,0,0,0,0|0,0,2]=3 1235 B8R0.6 C#C[C@@H](C)OCCCC 34a_100009815206_100000210210 [0,1,0,0,0,0|2,0,1]=4 1236 B8R0.6 C#C[C@@H](C)OCCCC 7a_100009815206_100000210211 [0,1,0,0,0,0|2,0,1]=4 1237 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [0,1,0,0,0,0|1,0,2]=4 1238 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [0,1,0,0,0,0|1,0,2]=4 1239 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [0,1,0,0,0,0|1,0,2]=4 1240 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [0,1,0,0,0,0|1,0,2]=4 1241 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [0,1,0,0,0,0|2,0,1]=4 1242 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [0,1,0,0,0,0|2,0,1]=4 1243 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [0,1,0,0,0,0|2,0,1]=4 1244 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [0,1,0,0,0,0|2,0,1]=4 1245 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [0,1,0,0,0,0|2,0,1]=4 1246 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,1,0,0,0,0|2,0,1]=4 1247 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,1,0,0,0,0|2,0,1]=4 1248 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [0,1,0,0,0,0|2,0,1]=4 1249 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,1,0,0,0,0|1,0,1]=3 1250 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,1,0,0,0,0|2,0,1]=4 1251 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [0,1,0,0,0,0|1,0,1]=3 1252 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [0,1,0,0,0,0|1,0,1]=3 1253 B8R0.6 C=CC(O)CSCCF 62a_100000730141_100011217306 [0,1,0,0,0,0|2,0,1]=4 1254 B8R0.6 C=CC(O)CSCCF 62a_100011217306_100000730141 [0,1,0,0,0,0|2,0,1]=4 1255 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,1,0,0,0,0|2,0,1]=4 1256 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,1,0,0,0,0|2,0,1]=4 1257 B8R0.6 C=CC(O)CSCOC 62a_100000730141_100000766300 [0,1,0,0,0,0|2,0,1]=4 1258 B8R0.6 C=CC(O)CSCOC 62a_100000766300_100000730141 [0,1,0,0,0,0|2,0,1]=4 1259 B8R0.6 C=CC(O)CSCSC 62a_100000730141_100011218213 [0,1,0,0,0,0|2,0,1]=4 1260 B8R0.6 C=CC(O)CSCSC 62a_100011218213_100000730141 [0,1,0,0,0,0|2,0,1]=4 1261 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,0,0,0,0|0,0,3]=4 1262 B8R0.6 C=CCCNC(C)CO 2230a_100015191253_100012180447 [0,1,0,0,0,0|1,0,2]=4 1263 B8R0.6 C=CCCN[C@H](C)CO 2230a_100000737577_100000754431 [0,1,0,0,0,0|1,0,2]=4 1264 B8R0.6 C=CCCOC(C)CO 34a_100011205117_100012180447 [0,1,0,0,0,0|1,0,2]=4 1265 B8R0.6 C=CCCSC(C)CO 62a_100012180447_100000754431 [0,1,0,0,0,0|1,0,2]=4 1266 B8R0.6 C=CCCS[C@H](C)CO 62a_100000754431_100016084084 [0,1,0,0,0,0|1,0,2]=4 1267 B8R0.6 C=CCCS[C@H](C)CO 62a_100016084084_100000754431 [0,1,0,0,0,0|1,0,2]=4 1268 B8R0.6 C=CCNCC(C)CO 34a_100000744482_100015514636 [0,1,0,0,0,0|1,0,2]=4 1269 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [0,1,0,0,0,0|1,0,2]=4 1270 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [0,1,0,0,0,0|1,0,2]=4 1271 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [0,1,0,0,0,0|0,0,2]=3 1272 B8R0.6 C=CCNC[C@@H](C)CO 2230a_100020586998_100000059175 [0,1,0,0,0,0|1,0,2]=4 1273 B8R0.6 C=CCNC[C@@H](F)CO 34a_100015665980_100015514636 [0,1,0,0,0,0|1,0,2]=4 1274 B8R0.6 C=CCNC[C@@H](O)CF 2230a_100020586998_100015614560 [0,1,0,0,0,0|1,0,2]=4 1275 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [0,1,0,0,0,0|0,0,2]=3 1276 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [0,1,0,0,0,0|0,0,2]=3 1277 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [0,1,0,0,0,0|1,0,2]=4 1278 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [0,1,0,0,0,0|0,0,2]=3 1279 B8R0.6 C=CCOC[C@@H](C)CO 34a_200000210373_100000059175 [0,1,0,0,0,0|1,0,2]=4 1280 B8R0.6 C=CCOC[C@@H](O)CF 34a_200000210373_100015614560 [0,1,0,0,0,0|1,0,2]=4 1281 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [0,1,0,0,0,0|0,0,2]=3 1282 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,1,0,0,0,0|1,0,2]=4 1283 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,1,0,0,0,0|1,0,2]=4 1284 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,1,0,0,0,0|0,0,2]=3 1285 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,1,0,0,0,0|0,0,2]=3 1286 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [0,1,0,0,0,0|1,0,2]=4 1287 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [0,1,0,0,0,0|1,0,2]=4 1288 B8R0.6 C=CCSC[C@@H](O)CF 62a_100000210623_100015614560 [0,1,0,0,0,0|1,0,2]=4 1289 B8R0.6 C=CCSC[C@@H](O)CF 62a_100015614560_100000210623 [0,1,0,0,0,0|1,0,2]=4 1290 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,1,0,0,0,0|0,0,2]=3 1291 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,1,0,0,0,0|0,0,2]=3 1292 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [0,1,0,0,0,0|2,0,1]=4 1293 B8R0.6 CC#CCNC(C)CO 2230a_100000685387_100012180447 [0,1,0,0,0,0|1,0,2]=4 1294 B8R0.6 CC#CCNC(C)CO 34a_100000685387_100012180447 [0,1,0,0,0,0|1,0,2]=4 1295 B8R0.6 CC#CCN[C@H](C)CO 2230a_100000737577_100000748600 [0,1,0,0,0,0|1,0,2]=4 1296 B8R0.6 CC#CCOC(C)CO 34a_100000761923_100012180447 [0,1,0,0,0,0|1,0,2]=4 1297 B8R0.6 CC#CCSC(C)CO 62a_100012180447_100000748600 [0,1,0,0,0,0|1,0,2]=4 1298 B8R0.6 CC#CCS[C@H](C)CO 62a_100000748600_100016084084 [0,1,0,0,0,0|1,0,2]=4 1299 B8R0.6 CC#CCS[C@H](C)CO 62a_100016084084_100000748600 [0,1,0,0,0,0|1,0,2]=4 1300 B8R0.6 CC(CF)OCCCF 34a_100016041109_100011934791 [0,1,0,0,0,0|3,0,0]=4 1301 B8R0.6 CC(CF)OCCCF 7a_100016041109_100011934791 [0,1,0,0,0,0|3,0,0]=4 1302 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [0,1,0,0,0,0|3,0,0]=4 1303 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [0,1,0,0,0,0|3,0,0]=4 1304 B8R0.6 CC(CN)COCCF 34a_100000744482_100011217306 [0,1,0,0,0,0|3,0,0]=4 1305 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [0,1,0,0,0,0|3,0,0]=4 1306 B8R0.6 CC(CN)OCCCF 34a_100000210904_100011934791 [0,1,0,0,0,0|3,0,0]=4 1307 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [0,1,0,0,0,0|3,0,0]=4 1308 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [0,1,0,0,0,0|2,0,0]=3 1309 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,1,0,0,0,0|2,0,1]=4 1310 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [0,1,0,0,0,0|2,0,0]=3 1311 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,1,0,0,0,0|2,0,0]=3 1312 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [0,1,0,0,0,0|2,0,0]=3 1313 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [0,1,0,0,0,0|2,0,0]=3 1314 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [0,1,0,0,0,0|2,0,0]=3 1315 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [0,1,0,0,0,0|2,0,0]=3 1316 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [0,1,0,0,0,0|2,0,0]=3 1317 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [0,1,0,0,0,0|2,0,0]=3 1318 B8R0.6 CC(CO)OCCON 34a_100000700252_100012180447 [0,1,0,0,0,0|3,0,0]=4 1319 B8R0.6 CC(CO)SCCC#N 62a_100012180447_100011215226 [0,1,0,0,0,0|2,0,1]=4 1320 B8R0.6 CC(CO)SCCCF 62a_100012180447_100011934791 [0,1,0,0,0,0|2,0,0]=3 1321 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,1,0,0,0,0|2,0,0]=3 1322 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,0,0,0,0|0,0,3]=4 1323 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [0,1,0,0,0,0|1,0,2]=4 1324 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [0,1,0,0,0,0|1,0,2]=4 1325 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [0,1,0,0,0,0|1,0,2]=4 1326 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [0,1,0,0,0,0|1,0,2]=4 1327 B8R0.6 CC=NNCC(O)CC 4a_100015206393_200000210099 [0,1,0,0,0,0|2,0,1]=4 1328 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,0,0,0,0|0,0,3]=4 1329 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,0,0,0,0|1,0,2]=4 1330 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,0,0,0,0|1,0,2]=4 1331 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,0,0,0,0|1,0,2]=4 1332 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,0,0,0,0|1,0,2]=4 1333 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,0,0,0,0|1,0,2]=4 1334 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,0,0,0,0|1,0,2]=4 1335 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,1,0,0,0,0|2,0,0]=3 1336 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,1,0,0,0,0|2,0,0]=3 1337 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,1,0,0,0,0|3,0,0]=4 1338 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,1,0,0,0,0|3,0,0]=4 1339 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,1,0,0,0,0|3,0,0]=4 1340 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,1,0,0,0,0|3,0,0]=4 1341 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,1,0,0,0,0|3,0,0]=4 1342 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,1,0,0,0,0|3,0,0]=4 1343 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,1,0,0,0,0|3,0,0]=4 1344 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [0,1,0,0,0,0|3,0,0]=4 1345 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,1,0,0,0,0|3,0,0]=4 1346 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [0,1,0,0,0,0|3,0,0]=4 1347 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [0,1,0,0,0,0|3,0,0]=4 1348 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [0,1,0,0,0,0|3,0,0]=4 1349 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [0,1,0,0,0,0|3,0,0]=4 1350 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,1,0,0,0,0|3,0,0]=4 1351 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,1,0,0,0,0|3,0,0]=4 1352 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,1,0,0,0,0|3,0,0]=4 1353 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,1,0,0,0,0|3,0,0]=4 1354 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,1,0,0,0,0|3,0,0]=4 1355 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,1,0,0,0,0|3,0,0]=4 1356 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,1,0,0,0,0|3,0,0]=4 1357 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,1,0,0,0,0|3,0,0]=4 1358 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,1,0,0,0,0|3,0,0]=4 1359 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,1,0,0,0,0|3,0,0]=4 1360 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [0,1,0,0,0,0|3,0,0]=4 1361 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [0,1,0,0,0,0|3,0,0]=4 1362 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,1,0,0,0,0|3,0,0]=4 1363 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,1,0,0,0,0|3,0,0]=4 1364 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,1,0,0,0,0|3,0,0]=4 1365 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,1,0,0,0,0|3,0,0]=4 1366 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,1,0,0,0,0|3,0,0]=4 1367 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,1,0,0,0,0|3,0,0]=4 1368 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,1,0,0,0,0|3,0,0]=4 1369 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,1,0,0,0,0|3,0,0]=4 1370 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,1,0,0,0,0|3,0,0]=4 1371 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,1,0,0,0,0|3,0,0]=4 1372 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,1,0,0,0,0|3,0,0]=4 1373 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,1,0,0,0,0|3,0,0]=4 1374 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,1,0,0,0,0|3,0,0]=4 1375 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,1,0,0,0,0|3,0,0]=4 1376 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,1,0,0,0,0|3,0,0]=4 1377 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,1,0,0,0,0|3,0,0]=4 1378 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,1,0,0,0,0|3,0,0]=4 1379 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,1,0,0,0,0|3,0,0]=4 1380 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,1,0,0,0,0|3,0,0]=4 1381 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,1,0,0,0,0|3,0,0]=4 1382 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,1,0,0,0,0|3,0,0]=4 1383 B8R0.6 CCC(O)CNCC#N 2230a_100011218483_100011215382 [0,1,0,0,0,0|2,0,1]=4 1384 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,1,0,0,0,0|2,0,1]=4 1385 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,1,0,0,0,0|2,0,0]=3 1386 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,1,0,0,0,0|2,0,0]=3 1387 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,1,0,0,0,0|2,0,0]=3 1388 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,1,0,0,0,0|2,0,0]=3 1389 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,1,0,0,0,0|2,0,0]=3 1390 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [0,1,0,0,0,0|2,0,0]=3 1391 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [0,1,0,0,0,0|2,0,0]=3 1392 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,1,0,0,0,0|2,0,0]=3 1393 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,1,0,0,0,0|2,0,0]=3 1394 B8R0.6 CCC(O)CSCC#N 62a_100011215382_100011218378 [0,1,0,0,0,0|2,0,1]=4 1395 B8R0.6 CCC(O)CSCC#N 62a_100011218378_100011215382 [0,1,0,0,0,0|2,0,1]=4 1396 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,1,0,0,0,0|2,0,1]=4 1397 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,1,0,0,0,0|2,0,1]=4 1398 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,1,0,0,0,0|2,0,0]=3 1399 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,1,0,0,0,0|2,0,0]=3 1400 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,1,0,0,0,0|2,0,0]=3 1401 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,1,0,0,0,0|2,0,0]=3 1402 B8R0.6 CCC(O)CSCOC 62a_100000766300_100011218378 [0,1,0,0,0,0|2,0,0]=3 1403 B8R0.6 CCC(O)CSCOC 62a_100011218378_100000766300 [0,1,0,0,0,0|2,0,0]=3 1404 B8R0.6 CCC(O)CSCSC 62a_100011218213_100011218378 [0,1,0,0,0,0|2,0,0]=3 1405 B8R0.6 CCC(O)CSCSC 62a_100011218378_100011218213 [0,1,0,0,0,0|2,0,0]=3 1406 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|1,0,2]=4 1407 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|1,0,2]=4 1408 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,0,0,0,0|1,0,2]=4 1409 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,0,0,0,0|0,0,2]=3 1410 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,1,0,0,0,0|3,0,0]=4 1411 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,1,0,0,0,0|3,0,0]=4 1412 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,1,0,0,0,0|3,0,0]=4 1413 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,1,0,0,0,0|3,0,0]=4 1414 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,1,0,0,0,0|3,0,0]=4 1415 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,1,0,0,0,0|3,0,0]=4 1416 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,0,0,0,0|3,0,0]=4 1417 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,0,0,0,0|3,0,0]=4 1418 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,0,0,0,0|3,0,0]=4 1419 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,0,0,0,0|3,0,0]=4 1420 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,0,0,0,0|3,0,0]=4 1421 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,1,0,0,0,0|3,0,0]=4 1422 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,1,0,0,0,0|3,0,0]=4 1423 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,1,0,0,0,0|3,0,0]=4 1424 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,1,0,0,0,0|3,0,0]=4 1425 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,1,0,0,0,0|3,0,0]=4 1426 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,1,0,0,0,0|3,0,0]=4 1427 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,1,0,0,0,0|3,0,0]=4 1428 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,1,0,0,0,0|3,0,0]=4 1429 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,1,0,0,0,0|3,0,0]=4 1430 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,0,0,0,0|1,0,2]=4 1431 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,0,0,0,0|1,0,2]=4 1432 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,0,0,0,0|1,0,2]=4 1433 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,0,0,0,0|1,0,2]=4 1434 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,0,0,0,0|0,0,2]=3 1435 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,0,0,0,0|0,0,2]=3 1436 B8R0.6 CCCCNC(C)C#N 2230a_100000102301_100000184139 [0,1,0,0,0,0|2,0,1]=4 1437 B8R0.6 CCCCNC(C)C#N 2230a_100000737613_100000210211 [0,1,0,0,0,0|2,0,1]=4 1438 B8R0.6 CCCCNC(C)C#N 7a_106832991798_100000703298 [0,1,0,0,0,0|2,0,1]=4 1439 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,1,0,0,0,0|2,0,0]=3 1440 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,1,0,0,0,0|2,0,0]=3 1441 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,1,0,0,0,0|2,0,0]=3 1442 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,1,0,0,0,0|1,0,0]=2 1443 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,1,0,0,0,0|1,0,0]=2 1444 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,1,0,0,0,0|1,0,0]=2 1445 B8R0.6 CCCCOC(C)C#N 34a_100011218135_100000210210 [0,1,0,0,0,0|2,0,1]=4 1446 B8R0.6 CCCCOC(C)C#N 7a_100000210227_100000703298 [0,1,0,0,0,0|2,0,1]=4 1447 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,1,0,0,0,0|2,0,0]=3 1448 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,1,0,0,0,0|2,0,0]=3 1449 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,1,0,0,0,0|2,0,0]=3 1450 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,1,0,0,0,0|2,0,0]=3 1451 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,1,0,0,0,0|2,0,0]=3 1452 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,1,0,0,0,0|2,0,0]=3 1453 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,1,0,0,0,0|1,0,0]=2 1454 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,1,0,0,0,0|1,0,0]=2 1455 B8R0.6 CCCCSC(C)C#N 62a_100000210211_100000703298 [0,1,0,0,0,0|2,0,1]=4 1456 B8R0.6 CCCCSC(C)C#N 62a_100000703298_100000210210 [0,1,0,0,0,0|2,0,1]=4 1457 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,1,0,0,0,0|2,0,0]=3 1458 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,1,0,0,0,0|2,0,0]=3 1459 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [0,1,0,0,0,0|1,0,0]=2 1460 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [0,1,0,0,0,0|3,0,0]=4 1461 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [0,1,0,0,0,0|3,0,0]=4 1462 B8R0.6 CCCCSC(F)C#N 62a_100000210211_200000117898 [0,1,0,0,0,0|2,0,1]=4 1463 B8R0.6 CCCCSC(F)C#N 62a_200000117898_100000210210 [0,1,0,0,0,0|2,0,1]=4 1464 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [0,1,0,0,0,0|1,0,0]=2 1465 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [0,1,0,0,0,0|1,0,0]=2 1466 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,1,0,0,0,0|2,0,0]=3 1467 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,1,0,0,0,0|2,0,0]=3 1468 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,1,0,0,0,0|1,0,0]=2 1469 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,1,0,0,0,0|1,0,0]=2 1470 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,1,0,0,0,0|3,0,0]=4 1471 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,1,0,0,0,0|1,0,0]=2 1472 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,1,0,0,0,0|0,0,0]=1 1473 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [0,1,0,0,0,0|2,0,1]=4 1474 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,0,0,0,0|1,0,2]=4 1475 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,0,0,0,0|1,0,2]=4 1476 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,0,0,0,0|1,0,2]=4 1477 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,0,0,0,0|1,0,2]=4 1478 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,1,0,0,0,0|2,0,0]=3 1479 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,1,0,0,0,0|2,0,0]=3 1480 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [0,1,0,0,0,0|3,0,0]=4 1481 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,1,0,0,0,0|2,0,0]=3 1482 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,1,0,0,0,0|1,0,0]=2 1483 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,1,0,0,0,0|0,0,0]=1 1484 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,1,0,0,0,0|2,0,0]=3 1485 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,1,0,0,0,0|2,0,0]=3 1486 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,1,0,0,0,0|1,0,0]=2 1487 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,1,0,0,0,0|1,0,0]=2 1488 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,1,0,0,0,0|0,0,0]=1 1489 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,1,0,0,0,0|2,0,0]=3 1490 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,0,0,0,0|1,0,2]=4 1491 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,0,0,0,0|1,0,2]=4 1492 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,0,0,0,0|1,0,2]=4 1493 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,0,0,0,0|1,0,2]=4 1494 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,1,0,0,0,0|2,0,0]=3 1495 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,1,0,0,0,0|2,0,0]=3 1496 B8R0.6 CCCSCC(C)NC 270004a_106832991635_100011343953 [0,1,0,0,0,0|3,0,0]=4 1497 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,1,0,0,0,0|1,0,0]=2 1498 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,1,0,0,0,0|1,0,0]=2 1499 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,1,0,0,0,0|0,0,0]=1 1500 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,1,0,0,0,0|0,0,0]=1 1501 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,1,0,0,0,0|2,0,0]=3 1502 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,1,0,0,0,0|2,0,0]=3 1503 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,1,0,0,0,0|1,0,0]=2 1504 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,1,0,0,0,0|1,0,0]=2 1505 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,1,0,0,0,0|1,0,0]=2 1506 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,1,0,0,0,0|1,0,0]=2 1507 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,1,0,0,0,0|0,0,0]=1 1508 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,1,0,0,0,0|0,0,0]=1 1509 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [0,1,0,0,0,0|3,0,0]=4 1510 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [0,1,0,0,0,0|3,0,0]=4 1511 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,1,0,0,0,0|3,0,0]=4 1512 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,1,0,0,0,0|3,0,0]=4 1513 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,1,0,0,0,0|3,0,0]=4 1514 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,1,0,0,0,0|3,0,0]=4 1515 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,1,0,0,0,0|3,0,0]=4 1516 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,1,0,0,0,0|3,0,0]=4 1517 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [0,1,0,0,0,0|3,0,0]=4 1518 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [0,1,0,0,0,0|3,0,0]=4 1519 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [0,1,0,0,0,0|3,0,0]=4 1520 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [0,1,0,0,0,0|3,0,0]=4 1521 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [0,1,0,0,0,0|3,0,0]=4 1522 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [0,1,0,0,0,0|3,0,0]=4 1523 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,1,0,0,0,0|3,0,0]=4 1524 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,1,0,0,0,0|3,0,0]=4 1525 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,1,0,0,0,0|3,0,0]=4 1526 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,1,0,0,0,0|3,0,0]=4 1527 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,0,0,0,0|2,0,0]=3 1528 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,1,0,0,0,0|1,0,0]=2 1529 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,1,0,0,0,0|1,0,0]=2 1530 B8R0.6 CCNN=CC(O)CO 4a_100000756455_100000033539 [0,1,0,0,0,0|1,0,1]=3 1531 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,1,0,0,0,0|2,0,1]=4 1532 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,0,0,0,0|1,0,2]=4 1533 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,0,0,0,0|1,0,2]=4 1534 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,1,0,0,0,0|1,0,2]=4 1535 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,0,0,0,0|0,0,2]=3 1536 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,1,0,0,0,0|2,0,0]=3 1537 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,1,0,0,0,0|3,0,0]=4 1538 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,1,0,0,0,0|3,0,0]=4 1539 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,1,0,0,0,0|3,0,0]=4 1540 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,1,0,0,0,0|3,0,0]=4 1541 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,1,0,0,0,0|3,0,0]=4 1542 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,1,0,0,0,0|3,0,0]=4 1543 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,1,0,0,0,0|2,0,0]=3 1544 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,1,0,0,0,0|2,0,0]=3 1545 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,1,0,0,0,0|2,0,0]=3 1546 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,0,0,0,0|1,0,2]=4 1547 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,0,0,0,0|1,0,2]=4 1548 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,0,0,0,0|1,0,2]=4 1549 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,0,0,0,0|0,0,2]=3 1550 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [0,1,0,0,0,0|3,0,0]=4 1551 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [0,1,0,0,0,0|3,0,0]=4 1552 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,1,0,0,0,0|3,0,0]=4 1553 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,1,0,0,0,0|3,0,0]=4 1554 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,1,0,0,0,0|3,0,0]=4 1555 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [0,1,0,0,0,0|3,0,0]=4 1556 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [0,1,0,0,0,0|3,0,0]=4 1557 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [0,1,0,0,0,0|3,0,0]=4 1558 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,1,0,0,0,0|3,0,0]=4 1559 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [0,1,0,0,0,0|3,0,0]=4 1560 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [0,1,0,0,0,0|3,0,0]=4 1561 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,1,0,0,0,0|3,0,0]=4 1562 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,1,0,0,0,0|3,0,0]=4 1563 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,1,0,0,0,0|3,0,0]=4 1564 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,1,0,0,0,0|3,0,0]=4 1565 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,1,0,0,0,0|3,0,0]=4 1566 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,1,0,0,0,0|3,0,0]=4 1567 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [0,1,0,0,0,0|3,0,0]=4 1568 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,1,0,0,0,0|3,0,0]=4 1569 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,1,0,0,0,0|1,0,2]=4 1570 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,0,0,0,0|0,0,2]=3 1571 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,1,0,0,0,0|3,0,0]=4 1572 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,1,0,0,0,0|3,0,0]=4 1573 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,1,0,0,0,0|3,0,0]=4 1574 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,1,0,0,0,0|3,0,0]=4 1575 B8R0.6 COCCCN(C)CF 269982a_100000224831_100015361967 [0,1,0,0,0,0|3,0,0]=4 1576 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,1,0,0,0,0|2,0,0]=3 1577 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,1,0,0,0,0|1,0,2]=4 1578 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,1,0,0,0,0|1,0,2]=4 1579 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [0,1,0,0,0,0|2,0,0]=3 1580 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [0,1,0,0,0,0|2,0,0]=3 1581 B8R0.6 COCCOC(C)CF 34a_100016041109_100011201679 [0,1,0,0,0,0|3,0,0]=4 1582 B8R0.6 COCCOC(C)CF 7a_100016041109_100000233755 [0,1,0,0,0,0|3,0,0]=4 1583 B8R0.6 COCCOC(C)CN 34a_100000210904_100011201679 [0,1,0,0,0,0|3,0,0]=4 1584 B8R0.6 COCCOC(C)CO 34a_100000210237_100012180447 [0,1,0,0,0,0|2,0,0]=3 1585 B8R0.6 COCCSC(C)CO 62a_100012180447_100000233755 [0,1,0,0,0,0|2,0,0]=3 1586 B8R0.6 COCCS[C@H](C)CO 62a_100000233755_100016084084 [0,1,0,0,0,0|2,0,0]=3 1587 B8R0.6 COCCS[C@H](C)CO 62a_100016084084_100000233755 [0,1,0,0,0,0|2,0,0]=3 1588 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [0,1,0,0,0,0|1,0,0]=2 1589 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,1,0,0,0,0|1,0,0]=2 1590 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,1,0,0,0,0|1,0,0]=2 1591 B8R0.6 COCSC[C@@H](C)CO 62a_100000059175_100000766300 [0,1,0,0,0,0|2,0,0]=3 1592 B8R0.6 COCSC[C@@H](C)CO 62a_100000766300_100000059175 [0,1,0,0,0,0|2,0,0]=3 1593 B8R0.6 COCSC[C@@H](O)CF 62a_100000766300_100015614560 [0,1,0,0,0,0|2,0,0]=3 1594 B8R0.6 COCSC[C@@H](O)CF 62a_100015614560_100000766300 [0,1,0,0,0,0|2,0,0]=3 1595 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,1,0,0,0,0|1,0,0]=2 1596 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,1,0,0,0,0|1,0,0]=2 1597 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,0,0,0,0|1,0,2]=4 1598 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,0,0,0,0|1,0,2]=4 1599 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,0,0,0,0|1,0,2]=4 1600 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [0,1,0,0,0,0|2,0,0]=3 1601 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [0,1,0,0,0,0|2,0,0]=3 1602 B8R0.6 CSCCOC(C)CF 34a_100016041109_100000212216 [0,1,0,0,0,0|3,0,0]=4 1603 B8R0.6 CSCCOC(C)CF 7a_100016041109_100000212216 [0,1,0,0,0,0|3,0,0]=4 1604 B8R0.6 CSCCOC(C)CN 34a_100000210904_100000212216 [0,1,0,0,0,0|3,0,0]=4 1605 B8R0.6 CSCCOC(C)CO 34a_100000230434_100012180447 [0,1,0,0,0,0|2,0,0]=3 1606 B8R0.6 CSCCOC(C)CO 7a_100000230434_100012180447 [0,1,0,0,0,0|2,0,0]=3 1607 B8R0.6 CSCCSC(C)CO 62a_100012180447_100000751147 [0,1,0,0,0,0|2,0,0]=3 1608 B8R0.6 CSCCS[C@H](C)CO 62a_100000212216_100016084084 [0,1,0,0,0,0|2,0,0]=3 1609 B8R0.6 CSCCS[C@H](C)CO 62a_100016084084_100000751147 [0,1,0,0,0,0|2,0,0]=3 1610 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [0,1,0,0,0,0|2,0,0]=3 1611 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [0,1,0,0,0,0|2,0,0]=3 1612 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,1,0,0,0,0|1,0,0]=2 1613 B8R0.6 CSCOCC(C)CN 34a_100000744482_100011218213 [0,1,0,0,0,0|3,0,0]=4 1614 B8R0.6 CSCOCC(Cl)CCl 34a_100000033668_100011218213 [0,1,0,0,0,0|3,0,0]=4 1615 B8R0.6 CSCOC[C@H](F)CN 34a_100015665980_100011218213 [0,1,0,0,0,0|3,0,0]=4 1616 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,1,0,0,0,0|1,0,0]=2 1617 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,1,0,0,0,0|1,0,0]=2 1618 B8R0.6 CSCSC[C@@H](C)CO 62a_100000059175_100011218213 [0,1,0,0,0,0|2,0,0]=3 1619 B8R0.6 CSCSC[C@@H](C)CO 62a_100011218213_100000059175 [0,1,0,0,0,0|2,0,0]=3 1620 B8R0.6 CSCSC[C@@H](O)CF 62a_100011218213_100015614560 [0,1,0,0,0,0|2,0,0]=3 1621 B8R0.6 CSCSC[C@@H](O)CF 62a_100015614560_100011218213 [0,1,0,0,0,0|2,0,0]=3 1622 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,1,0,0,0,0|1,0,0]=2 1623 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,1,0,0,0,0|1,0,0]=2 1624 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|2,0,0]=3 1625 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [0,1,0,0,0,0|2,0,0]=3 1626 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,1,0,0,0,0|2,0,0]=3 1627 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,1,0,0,0,0|2,0,0]=3 1628 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [0,1,0,0,0,0|2,0,0]=3 1629 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,1,0,0,0,0|2,0,0]=3 1630 B8R0.6 C[C@@H](CO)CSCC#N 62a_100000059175_100011215382 [0,1,0,0,0,0|2,0,1]=4 1631 B8R0.6 C[C@@H](CO)CSCC#N 62a_100011215382_100000059175 [0,1,0,0,0,0|2,0,1]=4 1632 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,1,0,0,0,0|2,0,1]=4 1633 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,1,0,0,0,0|2,0,1]=4 1634 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,1,0,0,0,0|2,0,0]=3 1635 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,1,0,0,0,0|2,0,0]=3 1636 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,1,0,0,0,0|2,0,0]=3 1637 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,1,0,0,0,0|2,0,0]=3 1638 B8R0.6 C[C@H](CO)NCCC#N 2230a_100000737577_100011215226 [0,1,0,0,0,0|2,0,1]=4 1639 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [0,1,0,0,0,0|2,0,0]=3 1640 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,1,0,0,0,0|2,0,0]=3 1641 B8R0.6 C[C@H](CO)SCCC#N 62a_100011215226_100016084084 [0,1,0,0,0,0|2,0,1]=4 1642 B8R0.6 C[C@H](CO)SCCC#N 62a_100016084084_100011215226 [0,1,0,0,0,0|2,0,1]=4 1643 B8R0.6 C[C@H](CO)SCCCF 62a_100011934791_100016084084 [0,1,0,0,0,0|2,0,0]=3 1644 B8R0.6 C[C@H](CO)SCCCF 62a_100016084084_100011934791 [0,1,0,0,0,0|2,0,0]=3 1645 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,1,0,0,0,0|2,0,0]=3 1646 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,1,0,0,0,0|2,0,0]=3 1647 B8R0.6 FCCOCC(Cl)CCl 34a_100000033668_100011217306 [0,1,0,0,0,0|3,0,0]=4 1648 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,1,0,0,0,0|0,0,3]=4 1649 B8R0.6 N#CCNC[C@H](O)CO 2230a_100020644852_100011215382 [0,1,0,0,0,0|1,0,1]=3 1650 B8R0.6 N#CCSCC(O)CO 62a_100011215382_100011219619 [0,1,0,0,0,0|1,0,1]=3 1651 B8R0.6 N#CCSCC(O)CO 62a_100011219619_100011215382 [0,1,0,0,0,0|1,0,1]=3 1652 B8R0.6 N#CCSC[C@@H](O)CF 62a_100011215382_100015614560 [0,1,0,0,0,0|2,0,1]=4 1653 B8R0.6 N#CCSC[C@@H](O)CF 62a_100015614560_100011215382 [0,1,0,0,0,0|2,0,1]=4 1654 B8R0.6 N#CCSC[C@@H](O)CO 62a_100009815848_100011215382 [0,1,0,0,0,0|1,0,1]=3 1655 B8R0.6 N#CCSC[C@@H](O)CO 62a_100011215382_100009815848 [0,1,0,0,0,0|1,0,1]=3 1656 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,1,0,0,0,0|1,0,0]=2 1657 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [0,1,0,0,0,0|2,0,0]=3 1658 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,1,0,0,0,0|1,0,0]=2 1659 B8R0.6 NC[C@@H](F)COCCF 34a_100015665980_100011217306 [0,1,0,0,0,0|3,0,0]=4 1660 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [0,1,0,0,0,0|3,0,0]=4 1661 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,0,0,0,0|1,0,2]=4 1662 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,0,0,0,0|0,0,2]=3 1663 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,0,0,0,0|0,0,2]=3 1664 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,0,0,0,0|1,0,2]=4 1665 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,0,0,0,0|1,0,2]=4 1666 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,0,0,0,0|1,0,2]=4 1667 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,0,0,0,0|1,0,2]=4 1668 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,1,0,0,0,0|2,0,1]=4 1669 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,1,0,0,0,0|1,0,1]=3 1670 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,1,0,0,0,0|1,0,1]=3 1671 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,1,0,0,0,0|1,0,1]=3 1672 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,1,0,0,0,0|2,0,1]=4 1673 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,1,0,0,0,0|2,0,1]=4 1674 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,1,0,0,0,0|1,0,1]=3 1675 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,1,0,0,0,0|1,0,1]=3 1676 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,1,0,0,0,0|1,0,0]=2 1677 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [0,1,0,0,0,0|1,0,0]=2 1678 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,1,0,0,0,0|1,0,0]=2 1679 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,1,0,0,0,0|1,0,0]=2 1680 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,1,0,0,0,0|1,0,0]=2 1681 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,1,0,0,0,0|1,0,0]=2 1682 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,1,0,0,0,0|2,0,0]=3 1683 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,1,0,0,0,0|2,0,0]=3 1684 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,1,0,0,0,0|2,0,0]=3 1685 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,1,0,0,0,0|1,0,0]=2 1686 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,1,0,0,0,0|1,0,0]=2 1687 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,1,0,0,0,0|1,0,0]=2 1688 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [0,1,0,0,0,0|3,0,0]=4 1689 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,1,0,0,0,0|1,0,0]=2 1690 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,1,0,0,0,0|1,0,0]=2 1691 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,1,0,0,0,0|2,0,0]=3 1692 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,1,0,0,0,0|2,0,0]=3 1693 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,1,0,0,0,0|1,0,0]=2 1694 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,1,0,0,0,0|1,0,0]=2 1695 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,1,0,0,0,0|1,0,0]=2 1696 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [0,1,0,0,0,0|2,0,0]=3 1697 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,1,0,0,0,0|1,0,0]=2 1698 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [0,1,0,0,0,0|1,0,0]=2 1699 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,1,0,0,0,0|1,0,0]=2 1700 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,1,0,0,0,0|1,0,0]=2 1701 B8R0.6 O[C@@H](CF)CNCCF 34a_100000724931_100015614560 [0,1,0,0,0,0|2,0,0]=3 1702 B8R0.6 O[C@@H](CF)COCCBr 34a_100000211926_100015614560 [0,1,0,0,0,0|2,0,0]=3 1703 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [0,1,0,0,0,0|2,0,0]=3 1704 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [0,1,0,0,0,0|2,0,0]=3 1705 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,1,0,0,0,0|3,0,0]=4 1706 B8R0.8 CC(C)C(O)CNCF 34a_100000759067_100015361967 [0,1,0,0,0,0|3,0,0]=4 1707 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,0,0,0,0|1,0,2]=4 1708 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,0,0,0,0|1,0,2]=4 1709 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,0,0,0,0|1,0,2]=4 1710 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,0,0,0,0|0,0,2]=3 1711 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,0,0,0,0|0,0,2]=3 1712 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,0,0,0,0|0,0,2]=3 1713 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,0,0,0,0|1,0,2]=4 1714 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,0,0,0,0|1,0,2]=4 1715 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,0,0,0,0|1,0,2]=4 1716 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,1,0,0,0,0|3,0,0]=4 1717 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,1,0,0,0,0|3,0,0]=4 1718 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,1,0,0,0,0|3,0,0]=4 1719 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,0,0,0,0|0,0,2]=3 1720 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,0,0,0,0|0,0,2]=3 1721 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,1,0,0,0,0|3,0,0]=4 1722 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,1,0,0,0,0|3,0,0]=4 1723 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,1,0,0,0,0|3,0,0]=4 1724 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,1,0,0,0,0|3,0,0]=4 1725 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,1,0,0,0,0|3,0,0]=4 1726 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,1,0,0,0,0|3,0,0]=4 1727 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,1,0,0,0,0|3,0,0]=4 1728 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,1,0,0,0,0|1,0,2]=4 1729 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,0,0,0,0|1,0,2]=4 1730 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,0,0,0,0|1,0,2]=4 1731 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,0,0,0,0|1,0,2]=4 1732 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,1,0,0,0,0|3,0,0]=4 1733 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,0,0,0,0|2,0,1]=4 1734 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,1,0,0,0,0|3,0,0]=4 1735 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,0,0,0,0|2,0,1]=4 1736 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,0,0,0,0|2,0,1]=4 1737 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [0,1,0,0,0,0|2,0,0]=3 1738 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [0,1,0,0,0,0|2,0,0]=3 1739 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,1,0,0,0,0|3,0,0]=4 1740 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,1,0,0,0,0|1,0,2]=4 1741 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,0,0,0,0|1,0,2]=4 1742 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,0,0,0,0|1,0,2]=4 1743 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,1,0,0,0,0|3,0,0]=4 1744 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,1,0,0,0,0|1,0,2]=4 1745 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,0,0,0,0|1,0,2]=4 1746 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,0,0,0,0|1,0,2]=4 1747 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,1,0,0,0,0|1,0,2]=4 1748 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,1,0,0,0,0|1,0,2]=4 1749 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,0,0,0,0|1,0,2]=4 1750 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,0,0,0,0|1,0,2]=4 1751 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,0,0,0,0|1,0,2]=4 1752 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,0,0,0,0|1,0,2]=4 1753 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,1,0,0,0,0|1,0,2]=4 1754 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,1,0,0,0,0|1,0,2]=4 1755 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,0|0,0,3]=4 1756 B8R0.9 C=C(C)CN[C@H](C)CO 2230a_100000737577_100000748629 [0,1,0,0,0,0|2,0,1]=4 1757 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [0,1,0,0,0,0|2,0,1]=4 1758 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [0,1,0,0,0,0|2,0,1]=4 1759 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [0,1,0,0,0,0|2,0,1]=4 1760 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [0,1,0,0,0,0|2,0,1]=4 1761 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [0,1,0,0,0,0|2,0,1]=4 1762 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [0,1,0,0,0,0|2,0,1]=4 1763 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [0,1,0,0,0,0|2,0,1]=4 1764 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [0,1,0,0,0,0|2,0,1]=4 1765 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [0,1,0,0,0,0|2,0,1]=4 1766 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,0,0,0,0|2,0,1]=4 1767 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,0,0,0,0|2,0,1]=4 1768 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,0,0,0,0|2,0,1]=4 1769 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,1,0,0,0,0|2,0,1]=4 1770 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,1,0,0,0,0|2,0,1]=4 1771 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,1,0,0,0,0|1,0,1]=3 1772 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,1,0,0,0,0|1,0,1]=3 1773 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,1,0,0,0,0|2,0,0]=3 1774 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|1,0,2]=4 1775 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|0,0,2]=3 1776 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,0,0,0,0|3,0,0]=4 1777 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,0|3,0,0]=4 1778 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,0|3,0,0]=4 1779 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,0,0,0,0|3,0,0]=4 1780 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,0,0,0,0|3,0,0]=4 1781 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [0,1,0,0,0,0|3,0,0]=4 1782 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,0,0,0,0|1,0,2]=4 1783 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,0,0,0,0|1,0,2]=4 1784 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,1,0,0,0,0|2,0,0]=3 1785 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,1,0,0,0,0|2,0,0]=3 1786 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [0,1,0,0,0,0|3,0,0]=4 1787 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,1,0,0,0,0|2,0,0]=3 1788 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,1,0,0,0,0|2,0,0]=3 1789 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [0,1,0,0,0,0|3,0,0]=4 1790 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [0,1,0,0,0,0|3,0,0]=4 1791 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [0,1,0,0,0,0|3,0,0]=4 1792 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,1,0,0,0,0|2,0,0]=3 1793 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,1,0,0,0,0|2,0,0]=3 1794 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,1,0,0,0,0|2,0,0]=3 1795 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,1,0,0,0,0|2,0,0]=3 1796 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [0,1,0,0,0,0|1,0,0]=2 1797 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [0,1,0,0,0,0|1,0,0]=2 1798 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,1,0,0,0,0|2,0,0]=3 1799 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,1,0,0,0,0|2,0,0]=3 1800 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [0,1,0,0,0,0|2,0,0]=3 1801 B8R0.9 CC(C)NC[C@@H](O)CF 2230a_100138425928_100015614560 [0,1,0,0,0,0|2,0,0]=3 1802 B8R0.9 CC(C)NC[C@@H](O)CF 34a_100138425928_100015614560 [0,1,0,0,0,0|2,0,0]=3 1803 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [0,1,0,0,0,0|1,0,0]=2 1804 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [0,1,0,0,0,0|1,0,0]=2 1805 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [0,1,0,0,0,0|1,0,0]=2 1806 B8R0.9 CC(C)OCC(Cl)CCl 34a_100000033668_100000210206 [0,1,0,0,0,0|3,0,0]=4 1807 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,1,0,0,0,0|1,0,0]=2 1808 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,1,0,0,0,0|2,0,0]=3 1809 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [0,1,0,0,0,0|2,0,0]=3 1810 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,1,0,0,0,0|1,0,0]=2 1811 B8R0.9 CC(C)OC[C@H](F)CN 34a_100015665980_100000210206 [0,1,0,0,0,0|3,0,0]=4 1812 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [0,1,0,0,0,0|1,0,0]=2 1813 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [0,1,0,0,0,0|1,0,0]=2 1814 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,1,0,0,0,0|2,0,0]=3 1815 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,1,0,0,0,0|2,0,0]=3 1816 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100000210206_100015614560 [0,1,0,0,0,0|2,0,0]=3 1817 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100015614560_100000210206 [0,1,0,0,0,0|2,0,0]=3 1818 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [0,1,0,0,0,0|1,0,0]=2 1819 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [0,1,0,0,0,0|1,0,0]=2 1820 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,1,0,0,0,0|3,0,0]=4 1821 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,1,0,0,0,0|3,0,0]=4 1822 B8R0.9 CC(CN)COC(C)C 34a_100000744482_100000210206 [0,1,0,0,0,0|3,0,0]=4 1823 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,1,0,0,0,0|3,0,0]=4 1824 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,1,0,0,0,0|2,0,0]=3 1825 B8R0.9 CC(CO)NCC(F)F 34a_100000765723_100012180447 [0,1,0,0,0,0|3,0,0]=4 1826 B8R0.9 CC(CO)OCC(F)F 34a_100000743014_100012180447 [0,1,0,0,0,0|3,0,0]=4 1827 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,1,0,0,0,0|2,0,0]=3 1828 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,1,0,0,0,0|2,0,0]=3 1829 B8R0.9 CC(CO)SCC(F)F 62a_100012180447_100011934356 [0,1,0,0,0,0|3,0,0]=4 1830 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,1,0,0,0,0|2,0,0]=3 1831 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,1,0,0,0,0|2,0,0]=3 1832 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,0|0,0,2]=3 1833 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,0,0,0,0|1,0,2]=4 1834 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,0,0,0,0|1,0,2]=4 1835 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,1,0,0,0,0|2,0,0]=3 1836 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,1,0,0,0,0|2,0,0]=3 1837 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,1,0,0,0,0|2,0,0]=3 1838 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,1,0,0,0,0|3,0,0]=4 1839 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,1,0,0,0,0|3,0,0]=4 1840 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,1,0,0,0,0|3,0,0]=4 1841 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,1,0,0,0,0|2,0,0]=3 1842 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,1,0,0,0,0|2,0,0]=3 1843 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,1,0,0,0,0|2,0,0]=3 1844 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|1,0,2]=4 1845 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|1,0,2]=4 1846 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,0,0,0,0|1,0,2]=4 1847 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,0|2,0,1]=4 1848 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,0|2,0,1]=4 1849 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,1,0,0,0,0|3,0,0]=4 1850 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,1,0,0,0,0|3,0,0]=4 1851 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,1,0,0,0,0|3,0,0]=4 1852 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,1,0,0,0,0|3,0,0]=4 1853 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,1,0,0,0,0|3,0,0]=4 1854 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,1,0,0,0,0|3,0,0]=4 1855 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,1,0,0,0,0|3,0,0]=4 1856 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,1,0,0,0,0|3,0,0]=4 1857 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,1,0,0,0,0|3,0,0]=4 1858 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,1,0,0,0,0|3,0,0]=4 1859 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,1,0,0,0,0|3,0,0]=4 1860 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,1,0,0,0,0|3,0,0]=4 1861 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,1,0,0,0,0|3,0,0]=4 1862 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,1,0,0,0,0|3,0,0]=4 1863 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,1,0,0,0,0|3,0,0]=4 1864 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,1,0,0,0,0|3,0,0]=4 1865 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,1,0,0,0,0|3,0,0]=4 1866 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,1,0,0,0,0|3,0,0]=4 1867 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,0,0,0,0|3,0,0]=4 1868 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,1,0,0,0,0|3,0,0]=4 1869 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,1,0,0,0,0|3,0,0]=4 1870 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,0,0,0,0|3,0,0]=4 1871 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,1,0,0,0,0|3,0,0]=4 1872 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,1,0,0,0,0|3,0,0]=4 1873 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,1,0,0,0,0|3,0,0]=4 1874 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,1,0,0,0,0|3,0,0]=4 1875 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,1,0,0,0,0|3,0,0]=4 1876 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,1,0,0,0,0|3,0,0]=4 1877 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,1,0,0,0,0|2,0,1]=4 1878 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,1,0,0,0,0|2,0,1]=4 1879 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,1,0,0,0,0|2,0,1]=4 1880 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,1,0,0,0,0|2,0,0]=3 1881 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,1,0,0,0,0|2,0,0]=3 1882 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,1,0,0,0,0|2,0,0]=3 1883 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,1,0,0,0,0|2,0,0]=3 1884 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,1,0,0,0,0|2,0,0]=3 1885 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,1,0,0,0,0|2,0,0]=3 1886 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 1887 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 1888 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,1,0,0,0,0|3,0,0]=4 1889 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 1890 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 1891 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,1,0,0,0,0|3,0,0]=4 1892 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,1,0,0,0,0|3,0,0]=4 1893 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,1,0,0,0,0|3,0,0]=4 1894 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 1895 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 1896 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,1,0,0,0,0|3,0,0]=4 1897 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,1,0,0,0,0|3,0,0]=4 1898 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,1,0,0,0,0|3,0,0]=4 1899 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,1,0,0,0,0|3,0,0]=4 1900 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,1,0,0,0,0|3,0,0]=4 1901 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,1,0,0,0,0|3,0,0]=4 1902 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,0,0,0,0|3,0,0]=4 1903 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,0,0,0,0|3,0,0]=4 1904 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,0,0,0,0|3,0,0]=4 1905 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,0,0,0,0|3,0,0]=4 1906 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,0|3,0,0]=4 1907 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,0|3,0,0]=4 1908 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,0|3,0,0]=4 1909 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,0,0,0,0|3,0,0]=4 1910 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,0,0,0,0|3,0,0]=4 1911 B8R0.9 C[C@H](CO)NCC(F)F 2230a_100000737577_100011934356 [0,1,0,0,0,0|3,0,0]=4 1912 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,1,0,0,0,0|2,0,0]=3 1913 B8R0.9 C[C@H](CO)SCC(F)F 62a_100011934356_100016084084 [0,1,0,0,0,0|3,0,0]=4 1914 B8R0.9 C[C@H](CO)SCC(F)F 62a_100016084084_100011934356 [0,1,0,0,0,0|3,0,0]=4 1915 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,1,0,0,0,0|2,0,0]=3 1916 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,1,0,0,0,0|2,0,0]=3 1917 B8R0.11 C#CC(CC)OCCC 34a_100000758843_100000210303 [0,1,0,0,0,0|3,0,0]=4 1918 B8R0.11 C#CC(CC)OCCC 7a_100000758843_100000210303 [0,1,0,0,0,0|3,0,0]=4 1919 B8R0.11 C#CC(CCCC)OC 34a_200011217967_200000210301 [0,1,0,0,0,0|1,0,1]=3 1920 B8R0.11 C#CC(CCCC)OC 7a_200011217967_200000210301 [0,1,0,0,0,0|1,0,1]=3 1921 B8R0.11 C#CC(CCCC)O[13CH3] 34a_200011217967_200025704644 [0,1,0,0,0,0|1,0,1]=3 1922 B8R0.11 C#CC(CCCC)O[13CH3] 7a_200011217967_200025704644 [0,1,0,0,0,0|1,0,1]=3 1923 B8R0.11 C#CCNC(CO)CO 2230a_100000759517_100000038162 [0,1,0,0,0,0|1,0,2]=4 1924 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [0,1,0,0,0,0|3,0,0]=4 1925 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [0,1,0,0,0,0|3,0,0]=4 1926 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,1,0,0,0,0|1,0,1]=3 1927 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,1,0,0,0,0|1,0,1]=3 1928 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,1,0,0,0,0|1,0,1]=3 1929 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,1,0,0,0,0|1,0,1]=3 1930 B8R0.11 C=CCNC(CO)CO 2230a_100000759517_100000210623 [0,1,0,0,0,0|1,0,2]=4 1931 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [0,1,0,0,0,0|2,0,0]=3 1932 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [0,1,0,0,0,0|2,0,0]=3 1933 B8R0.11 C=C[C@@H](CO)NCCF 2230a_100016989147_100011217306 [0,1,0,0,0,0|3,0,0]=4 1934 B8R0.11 C=C[C@@H](CO)NCCF 34a_100016989147_100011217306 [0,1,0,0,0,0|3,0,0]=4 1935 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [0,1,0,0,0,0|3,0,0]=4 1936 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [0,1,0,0,0,0|3,0,0]=4 1937 B8R0.11 C=C[C@@H](CO)NCOC 2230a_100016989147_100000766300 [0,1,0,0,0,0|3,0,0]=4 1938 B8R0.11 C=C[C@@H](CO)NCSC 2230a_100016989147_100011218213 [0,1,0,0,0,0|3,0,0]=4 1939 B8R0.11 C=C[C@@H](CO)NCSC 34a_100016989147_100011218213 [0,1,0,0,0,0|3,0,0]=4 1940 B8R0.11 CCC(COCF)OC 34a_100011934954_100015361967 [0,1,0,0,0,0|3,0,0]=4 1941 B8R0.11 CCC(COCF)OC 7a_100011934954_100015361967 [0,1,0,0,0,0|3,0,0]=4 1942 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [0,1,0,0,0,0|2,0,0]=3 1943 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [0,1,0,0,0,0|2,0,0]=3 1944 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [0,1,0,0,0,0|2,0,0]=3 1945 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,1,0,0,0,0|1,0,0]=2 1946 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,1,0,0,0,0|1,0,0]=2 1947 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,1,0,0,0,0|1,0,0]=2 1948 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,1,0,0,0,0|1,0,0]=2 1949 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,1,0,0,0,0|1,0,0]=2 1950 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,1,0,0,0,0|1,1,0]=3 1951 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,1,0,0,0,0|1,1,0]=3 1952 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,1,0,0,0,0|1,1,0]=3 1953 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,1,0,0,0,0|1,1,0]=3 1954 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [0,1,0,0,0,0|3,0,0]=4 1955 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [0,1,0,0,0,0|3,0,0]=4 1956 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [0,1,0,0,0,0|3,0,0]=4 1957 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [0,1,0,0,0,0|3,0,0]=4 1958 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [0,1,0,0,0,0|3,0,0]=4 1959 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [0,1,0,0,0,0|3,0,0]=4 1960 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [0,1,0,0,0,0|1,0,0]=2 1961 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [0,1,0,0,0,0|1,0,0]=2 1962 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [0,1,0,0,0,0|1,0,0]=2 1963 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [0,1,0,0,0,0|1,0,0]=2 1964 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,1,0,0,0,0|3,0,0]=4 1965 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,1,0,0,0,0|3,0,0]=4 1966 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [0,1,0,0,0,0|1,0,0]=2 1967 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,1,0,0,0,0|2,0,0]=3 1968 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [0,1,0,0,0,0|3,0,0]=4 1969 B8R0.11 CCCOC(CCl)CCl 7a_100000737055_100000210303 [0,1,0,0,0,0|3,0,0]=4 1970 B8R0.11 CCCOC(CF)CF 34a_100000032261_100000210303 [0,1,0,0,0,0|3,0,0]=4 1971 B8R0.11 CCCOC(CF)CF 7a_100000032261_100000210303 [0,1,0,0,0,0|3,0,0]=4 1972 B8R0.11 CCCOC(CN)CN 34a_100000031598_100000210303 [0,1,0,0,0,0|3,0,0]=4 1973 B8R0.11 CCCO[C@@H](CF)CCl 34a_100015614560_100000210303 [0,1,0,0,0,0|3,0,0]=4 1974 B8R0.11 CCCO[C@@H](CF)CCl 7a_100015614560_100000210303 [0,1,0,0,0,0|3,0,0]=4 1975 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [0,1,0,0,0,0|3,0,0]=4 1976 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [0,1,0,0,0,0|3,0,0]=4 1977 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [0,1,0,0,0,0|3,0,0]=4 1978 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [0,1,0,0,0,0|3,0,0]=4 1979 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [0,1,0,0,0,0|3,0,0]=4 1980 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [0,1,0,0,0,0|3,0,0]=4 1981 B8R0.11 CCNCC(OC)OC 2230a_100015525214_100000751394 [0,1,0,0,0,0|3,0,0]=4 1982 B8R0.11 CCNCC(OC)OC 270004a_100015525214_100000752162 [0,1,0,0,0,0|3,0,0]=4 1983 B8R0.11 CCNN=C(CO)CO 4a_100000756455_100000036256 [0,1,0,0,0,0|2,0,1]=4 1984 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [0,1,0,0,0,0|3,0,0]=4 1985 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [0,1,0,0,0,0|3,0,0]=4 1986 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [0,1,0,0,0,0|2,0,0]=3 1987 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [0,1,0,0,0,0|2,0,0]=3 1988 B8R0.11 CCOCC(CN)OC 34a_102515437182_200000210301 [0,1,0,0,0,0|2,0,0]=3 1989 B8R0.11 CCOCC(CN)O[13CH3] 34a_102515437182_200025704644 [0,1,0,0,0,0|2,0,0]=3 1990 B8R0.11 CCOCC(OC)OC 34a_100011216393_100000210202 [0,1,0,0,0,0|3,0,0]=4 1991 B8R0.11 CCOCC(OC)OC 34a_100121572206_100000211822 [0,1,0,0,0,0|3,0,0]=4 1992 B8R0.11 CCSCC(CC)CC 62a_100000210202_100011215472 [0,1,0,0,0,0|3,0,0]=4 1993 B8R0.11 CCSCC(CC)CC 62a_100011215472_100000210202 [0,1,0,0,0,0|3,0,0]=4 1994 B8R0.11 CCSCC(OC)OC 62a_100000210202_100000751394 [0,1,0,0,0,0|3,0,0]=4 1995 B8R0.11 CCSCC(OC)OC 62a_100000751394_100000210202 [0,1,0,0,0,0|3,0,0]=4 1996 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [0,1,0,0,0,0|3,0,0]=4 1997 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [0,1,0,0,0,0|3,0,0]=4 1998 B8R0.11 CC[C@@H](CO)NCOC 2230a_100000709445_100000766300 [0,1,0,0,0,0|3,0,0]=4 1999 B8R0.11 CC[C@@H](CO)NCSC 2230a_100000709445_100011218213 [0,1,0,0,0,0|3,0,0]=4 2000 B8R0.11 CNCCC(OC)OC 2230a_106832991635_100009813347 [0,1,0,0,0,0|3,0,0]=4 2001 B8R0.11 CNCCC(OC)OC 34a_100102657272_100000139399 [0,1,0,0,0,0|3,0,0]=4 2002 B8R0.11 CNCCC(OC)OC 7a_106832991635_100009813347 [0,1,0,0,0,0|3,0,0]=4 2003 B8R0.11 CN[C@H](CO)CCSC 2230a_100011827619_200000210301 [0,1,0,0,0,0|2,0,0]=3 2004 B8R0.11 COC(CCSC)OC 62a_100000139399_200000210301 [0,1,0,0,0,0|3,0,0]=4 2005 B8R0.11 COC(CCSC)OC 62a_200000210301_100000139399 [0,1,0,0,0,0|3,0,0]=4 2006 B8R0.11 COC(CCS[13CH3])OC 62a_100000139399_200025704644 [0,1,0,0,0,0|3,0,0]=4 2007 B8R0.11 COC(CCS[13CH3])OC 62a_200025704644_100000139399 [0,1,0,0,0,0|3,0,0]=4 2008 B8R0.11 COCCC(OC)OC 34a_100138415774_100000139399 [0,1,0,0,0,0|3,0,0]=4 2009 B8R0.11 COCNC(CO)CO 2230a_100000759517_100000766300 [0,1,0,0,0,0|2,0,0]=3 2010 B8R0.11 CSCC[C@@H](CO)N[13CH3] 2230a_100011827619_200025704644 [0,1,0,0,0,0|2,0,0]=3 2011 B8R0.11 CSCNC(CO)CO 2230a_100000759517_100011218213 [0,1,0,0,0,0|2,0,0]=3 2012 B8R0.11 N#CCNC(CO)CO 2230a_100000759517_100011215382 [0,1,0,0,0,0|2,0,1]=4 2013 B8R0.11 O=CCNC(CO)CO 2230a_100000759517_200015260668 [0,1,0,0,0,0|2,0,1]=4 2014 B8R0.11 OCC(CO)NCCF 2230a_100000759517_100011217306 [0,1,0,0,0,0|2,0,0]=3 2015 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [0,1,0,0,0,0|2,0,0]=3 2016 B8R0.19 C=CC(O)CN(C)CC 2230a_100000225621_100000730141 [0,1,0,0,0,0|2,0,1]=4 2017 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [0,1,0,0,0,0|3,0,0]=4 2018 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [0,1,0,0,0,0|3,0,0]=4 2019 B8R0.19 CC(CO)OC(C)CF 34a_100016041109_100012180447 [0,1,0,0,0,0|3,0,0]=4 2020 B8R0.19 CC(CO)OC(C)CF 7a_100016041109_100012180447 [0,1,0,0,0,0|3,0,0]=4 2021 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [0,1,0,0,0,0|3,0,0]=4 2022 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,0|0,0,3]=4 2023 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,0|1,0,2]=4 2024 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,0|1,0,2]=4 2025 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,0|1,0,1]=3 2026 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,0|1,0,1]=3 2027 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,0|1,0,2]=4 2028 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,0|1,0,1]=3 2029 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,0|2,0,1]=4 2030 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,0|2,0,1]=4 2031 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,0,0,0,0|1,0,2]=4 2032 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,0|0,0,2]=3 2033 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,1,0,0,0,0|3,0,0]=4 2034 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,1,0,0,0,0|3,0,0]=4 2035 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,1,0,0,0,0|3,0,0]=4 2036 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,1,0,0,0,0|3,0,0]=4 2037 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,1,0,0,0,0|3,0,0]=4 2038 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,1,0,0,0,0|3,0,0]=4 2039 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,1,0,0,0,0|3,0,0]=4 2040 B8R0.19 CCC(C)CN(C)CF 269982a_100000753921_100015361967 [0,1,0,0,0,0|3,0,0]=4 2041 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,0|1,0,2]=4 2042 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,0|1,0,2]=4 2043 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,1,0,0,0,0|3,0,0]=4 2044 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,1,0,0,0,0|2,0,0]=3 2045 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,1,0,0,0,0|2,0,0]=3 2046 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,1,0,0,0,0|3,0,0]=4 2047 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,1,0,0,0,0|3,0,0]=4 2048 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,1,0,0,0,0|3,0,0]=4 2049 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,1,0,0,0,0|3,0,0]=4 2050 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,1,0,0,0,0|2,0,0]=3 2051 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [0,1,0,0,0,0|3,0,0]=4 2052 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,1,0,0,0,0|2,0,0]=3 2053 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,1,0,0,0,0|2,0,0]=3 2054 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,1,0,0,0,0|2,0,0]=3 2055 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,0,0,0,0|1,0,2]=4 2056 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,0|0,0,2]=3 2057 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,0,0,0,0|2,0,1]=4 2058 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,0,0,0,0|2,0,1]=4 2059 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [0,1,0,0,0,0|2,0,0]=3 2060 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [0,1,0,0,0,0|2,0,0]=3 2061 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [0,1,0,0,0,0|2,0,0]=3 2062 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [0,1,0,0,0,0|2,0,0]=3 2063 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [0,1,0,0,0,0|2,0,0]=3 2064 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [0,1,0,0,0,0|2,0,0]=3 2065 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [0,1,0,0,0,0|1,0,0]=2 2066 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [0,1,0,0,0,0|1,0,0]=2 2067 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [0,1,0,0,0,0|1,0,0]=2 2068 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,1,0,0,0,0|2,0,0]=3 2069 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,1,0,0,0,0|2,0,0]=3 2070 B8R0.19 CCN(C)C[C@@H](O)CF 2230a_100000225621_100015614560 [0,1,0,0,0,0|2,0,0]=3 2071 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [0,1,0,0,0,0|1,0,0]=2 2072 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,0|0,0,2]=3 2073 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,1,0,0,0,0|3,0,0]=4 2074 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,1,0,0,0,0|3,0,0]=4 2075 B8R0.19 CN(CF)CC(O)CO 269982a_100011216503_100015361967 [0,1,0,0,0,0|2,0,0]=3 2076 B8R0.19 COC(C)SC(C)CO 62a_100012180447_100009879195 [0,1,0,0,0,0|3,0,0]=4 2077 B8R0.19 COC(C)S[C@H](C)CO 62a_100009879195_100016084084 [0,1,0,0,0,0|3,0,0]=4 2078 B8R0.19 COC(C)S[C@H](C)CO 62a_100016084084_100009879195 [0,1,0,0,0,0|3,0,0]=4 2079 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,0|1,0,2]=4 2080 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [0,1,0,0,0,0|3,0,0]=4 2081 B8R0.25 CC(C)(CO)CSCF 62a_100009813988_100015361967 [0,1,0,0,0,0|3,0,0]=4 2082 B8R0.25 CC(C)(CO)CSCF 62a_100015361967_100009813988 [0,1,0,0,0,0|3,0,0]=4 2083 B8R0.25 CC(C)(CO)NCCF 2230a_100000210608_100011217306 [0,1,0,0,0,0|3,0,0]=4 2084 B8R0.25 CC(C)(CO)NCCO 2230a_100000210608_100000211926 [0,1,0,0,0,0|3,0,0]=4 2085 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [0,1,0,0,0,0|3,0,0]=4 2086 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [0,1,0,0,0,0|3,0,0]=4 2087 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [0,1,0,0,0,0|3,0,0]=4 2088 B8R0.25 CCCNC(C)(C)CO 2230a_100000210608_100000210303 [0,1,0,0,0,0|2,0,0]=3 2089 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [0,1,0,0,0,0|3,0,0]=4 2090 B8R0.25 CCCOC(C)(C)CCl 7a_100000764493_100000210303 [0,1,0,0,0,0|3,0,0]=4 2091 B8R0.25 CCCSC(C)(C)CC 62a_100000032637_100000210303 [0,1,0,0,0,0|3,0,0]=4 2092 B8R0.25 CCCSC(C)(C)CC 62a_100000210303_100000032637 [0,1,0,0,0,0|3,0,0]=4 2093 B8R0.25 CCCSC(F)(F)CO 62a_100000210303_100011217949 [0,1,0,0,0,0|2,0,0]=3 2094 B8R0.25 CCCSC(F)(F)CO 62a_100011217949_100000210303 [0,1,0,0,0,0|2,0,0]=3 2095 B8R0.25 CCNCC(C)(C)CO 2230a_100020635058_100000210202 [0,1,0,0,0,0|2,0,0]=3 2096 B8R0.25 CCOCC(C)(C)CC 7a_100000765029_100000210202 [0,1,0,0,0,0|3,0,0]=4 2097 B8R0.25 CCOCC(C)(C)CCl 7a_100011217199_100000210202 [0,1,0,0,0,0|3,0,0]=4 2098 B8R0.25 CCOCC(C)(C)CO 34a_100121572206_100009813988 [0,1,0,0,0,0|2,0,0]=3 2099 B8R0.25 CCOCC(F)(F)CN 34a_100000703232_100000210202 [0,1,0,0,0,0|3,0,0]=4 2100 B8R0.25 CCSCC(C)(C)CO 62a_100000210202_100009813988 [0,1,0,0,0,0|2,0,0]=3 2101 B8R0.25 CCSCC(C)(C)CO 62a_100009813988_100000210202 [0,1,0,0,0,0|2,0,0]=3 2102 B8R0.25 COCNC(C)(C)CO 2230a_100000210608_100000766300 [0,1,0,0,0,0|3,0,0]=4 2103 B8R0.25 COCSC(F)(F)CO 62a_100000766300_100011217949 [0,1,0,0,0,0|3,0,0]=4 2104 B8R0.25 COCSC(F)(F)CO 62a_100011217949_100000766300 [0,1,0,0,0,0|3,0,0]=4 2105 B8R0.25 CSCNC(C)(C)CO 2230a_100000210608_100011218213 [0,1,0,0,0,0|3,0,0]=4 2106 B8R0.25 CSCSC(F)(F)CO 62a_100011217949_100011218213 [0,1,0,0,0,0|3,0,0]=4 2107 B8R0.25 CSCSC(F)(F)CO 62a_100011218213_100011217949 [0,1,0,0,0,0|3,0,0]=4 2108 B8R0.25 OCC(F)(F)SCCF 62a_100011217306_100011217949 [0,1,0,0,0,0|3,0,0]=4 2109 B8R0.25 OCC(F)(F)SCCF 62a_100011217949_100011217306 [0,1,0,0,0,0|3,0,0]=4 2110 B8R0.25 OCCSC(F)(F)CO 62a_100000211926_100011217949 [0,1,0,0,0,0|3,0,0]=4 2111 B8R0.25 OCCSC(F)(F)CO 62a_100011217949_100000211926 [0,1,0,0,0,0|3,0,0]=4 2112 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,0,0,1,0,0|3,0,0]=4 2113 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [0,0,0,1,0,0|2,0,0]=3 2114 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [0,0,0,1,0,0|2,0,0]=3 2115 B8R1.1 CCN1CC[C@@H](C1)F 2230a_100015203821_100000210202 [0,0,0,1,0,0|3,0,0]=4 2116 B8R1.1 CCN1CC[C@@H](C1)F 269982a_100015203821_100000204670 [0,0,0,1,0,0|3,0,0]=4 2117 B8R1.1 CCN1CC[C@@H](C1)F 34a_100015203821_100000210202 [0,0,0,1,0,0|3,0,0]=4 2118 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,0,0,1,0,0|3,0,0]=4 2119 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,0,0,1,0,0|3,0,0]=4 2120 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,0,0,1,0,0|3,0,0]=4 2121 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,0,0,1,0,0|2,0,0]=3 2122 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,0,0,1,0,0|2,0,0]=3 2123 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,0,0,1,0,0|2,0,0]=3 2124 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,0,0,1,0,0|3,0,0]=4 2125 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,0,0,1,0,0|2,0,0]=3 2126 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,0,0,1,0,0|2,0,0]=3 2127 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,0,0,1,0,0|3,0,0]=4 2128 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,0,0,1,0,0|3,0,0]=4 2129 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,0,0,1,0,0|3,0,0]=4 2130 B8R1.1 OC1CCN(C1)CF 269982a_100011215560_100015361967 [0,0,0,1,0,0|3,0,0]=4 2131 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,0,0,1,0,0|2,0,0]=3 2132 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,0,0,1,0,0|2,0,0]=3 2133 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,0,0,1,0,0|2,0,0]=3 2134 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,0,0,1,0,0|2,0,0]=3 2135 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,0,0,1,0,0|3,0,0]=4 2136 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,0,0,1,0,0|3,0,0]=4 2137 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,0,0,1,0,0|3,0,0]=4 2138 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,0,0,1,0,0|3,0,0]=4 2139 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,0,0,1,0,0|3,0,0]=4 2140 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,0,0,1,0,0|3,0,0]=4 2141 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,0,0,1,0,0|3,0,0]=4 2142 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,0,0,1,0,0|3,0,0]=4 2143 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,0,0,1,0,0|2,0,0]=3 2144 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,0,0,1,0,0|3,0,0]=4 2145 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,0,0,1,0,0|3,0,0]=4 2146 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,0,0,1,0,0|3,0,0]=4 2147 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,0,0,1,0,0|3,0,0]=4 2148 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,0,0,1,0,0|3,0,0]=4 2149 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,0,0,1,0,0|3,0,0]=4 2150 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,0,0,1,0,0|2,0,0]=3 2151 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,0,0,1,0,0|3,0,0]=4 2152 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,0,0,1,0,0|3,0,0]=4 2153 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 2154 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 2155 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 2156 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 2157 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 2158 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 2159 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,0,0,1,0,0|3,0,0]=4 2160 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,0,0,1,0,0|3,0,0]=4 2161 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,0,0,1,0,0|3,0,0]=4 2162 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,0,0,1,0,0|2,0,0]=3 2163 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,0,0,1,0,0|2,0,0]=3 2164 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,0,0,1,0,0|3,0,0]=4 2165 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,0,0,1,0,0|3,0,0]=4 2166 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,0,0,1,0,0|3,0,0]=4 2167 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,0,0,1,0,0|2,0,0]=3 2168 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,0,0,1,0,0|2,0,0]=3 2169 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 2170 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 2171 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 2172 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 2173 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 2174 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 2175 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [0,0,0,1,0,0|3,0,0]=4 2176 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [0,0,0,1,0,0|3,0,0]=4 2177 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [0,0,0,1,0,0|3,0,0]=4 2178 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,0,0,1,0,0|3,0,0]=4 2179 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,0,0,1,0,0|3,0,0]=4 2180 B8R1.10 BrCCOC1COC1 34a_100000211926_100009818527 [0,0,0,1,0,0|3,0,0]=4 2181 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [0,0,0,1,0,0|3,0,0]=4 2182 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [0,0,0,1,0,0|3,0,0]=4 2183 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [0,0,0,1,0,0|3,0,0]=4 2184 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [0,0,0,1,0,0|3,0,0]=4 2185 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [0,0,0,1,0,0|2,0,0]=3 2186 B8R1.10 CCCOC1CCC1 34a_100000210258_100000749161 [0,0,0,1,0,0|3,0,0]=4 2187 B8R1.10 CCCOC1CCC1 34a_100000748187_100000210303 [0,0,0,1,0,0|3,0,0]=4 2188 B8R1.10 CCCOC1COC1 34a_100000210258_100009818527 [0,0,0,1,0,0|2,0,0]=3 2189 B8R1.10 CCCOC1CSC1 7a_100000072292_100000210303 [0,0,0,1,0,0|2,1,0]=4 2190 B8R1.10 CCCSC1CCC1 62a_100000210303_100000749161 [0,0,0,1,0,0|3,0,0]=4 2191 B8R1.10 CCCSC1COC1 62a_100000210303_100009818527 [0,0,0,1,0,0|2,0,0]=3 2192 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [0,0,0,1,0,0|3,0,0]=4 2193 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [0,0,0,1,0,0|3,0,0]=4 2194 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [0,0,0,1,0,0|3,0,0]=4 2195 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [0,0,0,1,0,0|3,0,0]=4 2196 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [0,0,0,1,0,0|2,0,0]=3 2197 B8R1.10 CCNCC1COC1 2230a_100015281925_100000210202 [0,0,0,1,0,0|2,0,0]=3 2198 B8R1.10 CCNCC1COC1 2230a_100015525214_100010264016 [0,0,0,1,0,0|2,0,0]=3 2199 B8R1.10 CCNCC1COC1 34a_100015281925_100000210202 [0,0,0,1,0,0|2,0,0]=3 2200 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [0,0,0,1,0,0|2,0,0]=3 2201 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [0,0,0,1,0,0|2,0,0]=3 2202 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [0,0,0,1,0,0|3,0,0]=4 2203 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [0,0,0,1,0,0|3,0,0]=4 2204 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [0,0,0,1,0,0|2,0,0]=3 2205 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [0,0,0,1,0,0|2,0,0]=3 2206 B8R1.10 CCOCC1CNC1 34a_100016987283_100000210202 [0,0,0,1,0,0|3,0,0]=4 2207 B8R1.10 CCOCC1COC1 34a_100000060846_100000210202 [0,0,0,1,0,0|2,0,0]=3 2208 B8R1.10 CCOCC1COC1 34a_100121572206_100010264016 [0,0,0,1,0,0|2,0,0]=3 2209 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [0,0,0,1,0,0|3,0,0]=4 2210 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [0,0,0,1,0,0|3,0,0]=4 2211 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [0,0,0,1,0,0|2,0,0]=3 2212 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [0,0,0,1,0,0|2,0,0]=3 2213 B8R1.10 CCSCC1COC1 62a_100000210202_100010264016 [0,0,0,1,0,0|2,0,0]=3 2214 B8R1.10 CCSCC1COC1 62a_100010264016_100000210202 [0,0,0,1,0,0|2,0,0]=3 2215 B8R1.10 COCCC1COC1 34a_100009855314_200000210301 [0,0,0,1,0,0|2,0,0]=3 2216 B8R1.10 COCNC1COC1 2230a_100016991112_100000766300 [0,0,0,1,0,0|3,0,0]=4 2217 B8R1.10 COCSC1COC1 62a_100000766300_100009818527 [0,0,0,1,0,0|3,0,0]=4 2218 B8R1.10 CSCNC1COC1 2230a_100016991112_100011218213 [0,0,0,1,0,0|3,0,0]=4 2219 B8R1.10 CSCSC1COC1 62a_100011218213_100009818527 [0,0,0,1,0,0|3,0,0]=4 2220 B8R1.10 FCCNC1COC1 2230a_100016991112_100011217306 [0,0,0,1,0,0|3,0,0]=4 2221 B8R1.10 FCCNC1COC1 34a_100000724931_100009818527 [0,0,0,1,0,0|3,0,0]=4 2222 B8R1.10 FCCSC1COC1 62a_100011217306_100009818527 [0,0,0,1,0,0|3,0,0]=4 2223 B8R1.10 FCNCC1COC1 34a_100015281925_100015361967 [0,0,0,1,0,0|3,0,0]=4 2224 B8R1.10 FCNC[C@@H]1CCO1 34a_100020831831_100015361967 [0,0,0,1,0,0|3,0,0]=4 2225 B8R1.10 FCOCC1CCO1 34a_100000039022_100015361967 [0,0,0,1,0,0|3,0,0]=4 2226 B8R1.10 FCOCC1COC1 34a_100000060846_100015361967 [0,0,0,1,0,0|3,0,0]=4 2227 B8R1.10 FCSCC1CCO1 62a_100000103362_100015361967 [0,0,0,1,0,0|3,0,0]=4 2228 B8R1.10 FCSCC1CCO1 62a_100015361967_100000103362 [0,0,0,1,0,0|3,0,0]=4 2229 B8R1.10 FCSCC1COC1 62a_100010264016_100015361967 [0,0,0,1,0,0|3,0,0]=4 2230 B8R1.10 FCSCC1COC1 62a_100015361967_100010264016 [0,0,0,1,0,0|3,0,0]=4 2231 B8R1.10 NCCOC1COC1 34a_100000210304_100009818527 [0,0,0,1,0,0|3,0,0]=4 2232 B8R1.10 OCCNC1COC1 2230a_100016991112_100000211926 [0,0,0,1,0,0|3,0,0]=4 2233 B8R1.10 OCCNC1COC1 34a_100016990907_100009818527 [0,0,0,1,0,0|3,0,0]=4 2234 B8R1.10 OCCSC1COC1 62a_100000211926_100009818527 [0,0,0,1,0,0|3,0,0]=4 2235 B8R1.10 [13CH3]OCCC1COC1 34a_100009855314_200025704644 [0,0,0,1,0,0|2,0,0]=3 2236 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [0,0,0,1,0,0|3,0,0]=4 2237 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [0,0,0,1,0,0|3,0,0]=4 2238 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 2239 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 2240 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 2241 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 2242 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 2243 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 2244 B8R1.38 CC(N[13CH3])C1CCC1 2230a_100016994624_200025704644 [0,0,0,1,0,0|3,0,0]=4 2245 B8R1.38 CC(N[13CH3])C1CCC1 34a_100016994624_200025704644 [0,0,0,1,0,0|3,0,0]=4 2246 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,0,0,1,0,0|3,0,0]=4 2247 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,0,0,1,0,0|3,0,0]=4 2248 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,0,1,0,0|1,0,2]=4 2249 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,0,1,0,0|1,0,2]=4 2250 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [0,0,0,1,0,0|3,0,0]=4 2251 B8R1.38 CCN(C)C1CCC1 2230a_100000758072_100000210202 [0,0,0,1,0,0|3,0,0]=4 2252 B8R1.38 CCN(C)C1CCC1 2230a_100000758130_200000210301 [0,0,0,1,0,0|3,0,0]=4 2253 B8R1.38 CCN(C)C1CCC1 269982a_100000225621_100000749161 [0,0,0,1,0,0|3,0,0]=4 2254 B8R1.38 CCN(C)C1CCC1 269982a_100000758072_100000204670 [0,0,0,1,0,0|3,0,0]=4 2255 B8R1.38 CCN(C)C1CCC1 269982a_100000758130_200000210301 [0,0,0,1,0,0|3,0,0]=4 2256 B8R1.38 CCN(C)C1CCC1 34a_100000758072_100000210202 [0,0,0,1,0,0|3,0,0]=4 2257 B8R1.38 CCN([13CH3])C1CCC1 2230a_100000758130_200025704644 [0,0,0,1,0,0|3,0,0]=4 2258 B8R1.38 CCN([13CH3])C1CCC1 269982a_100000758130_200025704644 [0,0,0,1,0,0|3,0,0]=4 2259 B8R1.38 CN(CF)C1CCC1 269982a_100000758072_100015361967 [0,0,0,1,0,0|3,0,0]=4 2260 B8R1.38 CN(CF)C1CCC1 34a_100000758072_100015361967 [0,0,0,1,0,0|3,0,0]=4 2261 B8R1.38 CNC(C)C1CCC1 2230a_100016994624_200000210301 [0,0,0,1,0,0|3,0,0]=4 2262 B8R1.38 CNC(C)C1CCC1 269862a_106832991636_100000760154 [0,0,0,1,0,0|3,0,0]=4 2263 B8R1.38 CNC(C)C1CCC1 34a_100016994624_200000210301 [0,0,0,1,0,0|3,0,0]=4 2264 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,0,0,1,0,0|3,0,0]=4 2265 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,0,0,1,0,0|3,0,0]=4 2266 B8R1.38 C[C@H](CO)N1CCC1 269982a_100000754969_100016084084 [0,0,0,1,0,0|2,0,0]=3 2267 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,0,0,1,0,0|1,0,2]=4 2268 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,0,1,0,0|0,0,2]=3 2269 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,0,0,1,0,0|1,0,2]=4 2270 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,0,0,1,0,0|1,0,2]=4 2271 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,0,0,1,0,0|1,0,2]=4 2272 B8R1.40 CC(CF)OC1CC1 34a_100016041109_100000211595 [0,0,0,1,0,0|3,0,0]=4 2273 B8R1.40 CC(CN)OC1CC1 34a_100000210904_100000211595 [0,0,0,1,0,0|3,0,0]=4 2274 B8R1.40 CC(CO)NC1CC1 34a_100000212008_100012180447 [0,0,0,1,0,0|2,0,0]=3 2275 B8R1.40 CC(CO)SC1CC1 62a_100012180447_100000211595 [0,0,0,1,0,0|2,0,0]=3 2276 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,0,0,1,0,0|1,0,2]=4 2277 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,0,0,1,0,0|1,0,2]=4 2278 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [0,0,0,1,0,0|3,0,0]=4 2279 B8R1.40 CCC(C)SC1CC1 62a_100000758301_100000211595 [0,0,0,1,0,0|3,0,0]=4 2280 B8R1.40 CCN(C)CC1CC1 2230a_100000225621_100000742324 [0,0,0,1,0,0|3,0,0]=4 2281 B8R1.40 CCN(C)CC1CC1 2230a_100000741881_100000210202 [0,0,0,1,0,0|3,0,0]=4 2282 B8R1.40 CCN(C)CC1CC1 269982a_100000225621_100000756562 [0,0,0,1,0,0|3,0,0]=4 2283 B8R1.40 CCN(C)CC1CC1 269982a_100000741881_100000204670 [0,0,0,1,0,0|3,0,0]=4 2284 B8R1.40 CN(CF)CC1CC1 269982a_100000741881_100015361967 [0,0,0,1,0,0|3,0,0]=4 2285 B8R1.40 CNC(C)CC1CC1 270004a_106832991635_200000686933 [0,0,0,1,0,0|3,0,0]=4 2286 B8R1.40 C[C@H](CO)SC1CC1 62a_100016084084_100000211595 [0,0,0,1,0,0|2,0,0]=3 2287 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,0,0,1,0,0|1,0,2]=4 2288 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,0,0,1,0,0|0,0,2]=3 2289 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,0,0,1,0,0|1,0,2]=4 2290 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,0,0,1,0,0|1,0,2]=4 2291 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,0,0,1,0,0|1,0,2]=4 2292 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,0,0,1,0,0|1,0,2]=4 2293 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,0,0,1,0,0|1,0,2]=4 2294 B8R1.41 CC1(CO1)CSCF 62a_100000760498_100015361967 [0,0,0,1,0,0|3,0,0]=4 2295 B8R1.41 CC1(CO1)CSCF 62a_100015361967_100000760498 [0,0,0,1,0,0|3,0,0]=4 2296 B8R1.41 CCCNC1(CC1)C 2230a_100000757604_100000210303 [0,0,0,1,0,0|3,0,0]=4 2297 B8R1.41 CCCOC1(CC1)C 7a_100011725673_100000210303 [0,0,0,1,0,0|3,0,0]=4 2298 B8R1.41 CCNCC1(CC1)C 2230a_100000766693_100000210202 [0,0,0,1,0,0|3,0,0]=4 2299 B8R1.41 CCNCC1(CC1)O 2230a_100011936951_100000210202 [0,0,0,1,0,0|2,0,0]=3 2300 B8R1.41 CCOCC1(CC1)C 7a_100000698024_100000210202 [0,0,0,1,0,0|3,0,0]=4 2301 B8R1.41 CCOCC1(CC1)F 34a_200000703853_100000210202 [0,0,0,1,0,0|3,0,0]=4 2302 B8R1.41 CCOCC1(CC1)F 7a_200000703853_100000210202 [0,0,0,1,0,0|3,0,0]=4 2303 B8R1.41 CCOCC1(CO1)C 34a_100121572206_100000760498 [0,0,0,1,0,0|2,0,0]=3 2304 B8R1.41 CCSCC1(CO1)C 62a_100000210202_100000760498 [0,0,0,1,0,0|2,0,0]=3 2305 B8R1.41 CCSCC1(CO1)C 62a_100000760498_100000210202 [0,0,0,1,0,0|2,0,0]=3 2306 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,0,0,1,0,0|2,0,0]=3 2307 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,0,0,1,0,0|2,0,0]=3 2308 B8R1.46 C[C@H]1[C@H](CN1CF)O 269982a_206633788156_100015361967 [0,0,0,1,0,0|3,0,0]=4 2309 B8R1.47 CCC1CN(C1)CC 2230a_100015205115_100000210202 [0,0,0,1,0,0|3,0,0]=4 2310 B8R1.47 CCC1CN(C1)CC 269982a_100015205115_100000204670 [0,0,0,1,0,0|3,0,0]=4 2311 B8R1.47 CCC1CN(C1)CF 269982a_100015205115_100015361967 [0,0,0,1,0,0|3,0,0]=4 2312 B8R1.47 CCN1CC(C1)CF 269982a_100010363649_100000204670 [0,0,0,1,0,0|3,0,0]=4 2313 B8R1.47 CCN1CC(C1)CF 34a_100010363649_100000210202 [0,0,0,1,0,0|3,0,0]=4 2314 B8R1.47 CCN1CC(C1)CO 269982a_100016987283_100000204670 [0,0,0,1,0,0|2,0,0]=3 2315 B8R1.47 CCN1CC(C1)CO 34a_100016987283_100000210202 [0,0,0,1,0,0|2,0,0]=3 2316 B8R1.47 CNC1CC(C1)CO 270004a_106832991635_100000101936 [0,0,0,1,0,0|2,0,0]=3 2317 B8R1.47 CSC1CC(C1)CO 62a_100009874164_200000210301 [0,0,0,1,0,0|2,0,0]=3 2318 B8R1.47 CSC1CC(C1)CO 62a_200000210301_100009874164 [0,0,0,1,0,0|2,0,0]=3 2319 B8R1.47 OCC1CN(C1)CF 269982a_100016987283_100015361967 [0,0,0,1,0,0|3,0,0]=4 2320 B8R1.47 OCC1CN(C1)CF 34a_100016987283_100015361967 [0,0,0,1,0,0|3,0,0]=4 2321 B8R1.47 [13CH3]SC1CC(C1)CO 62a_100009874164_200025704644 [0,0,0,1,0,0|2,0,0]=3 2322 B8R1.47 [13CH3]SC1CC(C1)CO 62a_200025704644_100009874164 [0,0,0,1,0,0|2,0,0]=3 2323 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,0,0,1,0,0|3,0,0]=4 2324 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,0,0,1,0,0|3,0,0]=4 2325 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,0,0,1,0,0|3,0,0]=4 2326 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,0,0,1,0,0|3,0,0]=4 2327 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,0,0,1,0,0|3,0,0]=4 2328 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,0,0,1,0,0|3,0,0]=4 2329 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [0,0,0,1,0,0|3,0,0]=4 2330 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [0,0,0,1,0,0|3,0,0]=4 2331 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [0,0,0,1,0,0|3,0,0]=4 2332 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [0,0,0,1,0,0|3,0,0]=4 2333 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,0,0,1,0,0|1,0,2]=4 2334 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,0,1,0,0|1,0,2]=4 2335 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [2,0,0,0,0,0|2,0,0]=4 2336 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 2337 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 2338 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|2,0,0]=4 2339 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|2,0,0]=4 2340 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|2,0,0]=4 2341 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [2,0,0,0,0,0|2,0,0]=4 2342 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [2,0,0,0,0,0|1,0,0]=3 2343 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|1,0,0]=3 2344 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|1,0,0]=3 2345 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|1,0,0]=3 2346 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,2]=4 2347 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,2]=4 2348 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,2]=4 2349 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 2350 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 2351 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 2352 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 2353 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 2354 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 2355 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|2,0,0]=4 2356 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|2,0,0]=4 2357 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|2,0,0]=4 2358 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|2,0,0]=4 2359 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|2,0,0]=4 2360 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|2,0,0]=4 2361 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|2,0,0]=4 2362 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 2363 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 2364 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|2,0,0]=4 2365 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 2366 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|2,0,0]=4 2367 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 2368 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [2,0,0,0,0,0|1,0,0]=3 2369 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [2,0,0,0,0,0|1,0,0]=3 2370 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [2,0,0,0,0,0|1,0,0]=3 2371 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [2,0,0,0,0,0|1,0,0]=3 2372 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [2,0,0,0,0,0|1,0,0]=3 2373 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [2,0,0,0,0,0|1,0,0]=3 2374 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [2,0,0,0,0,0|1,0,0]=3 2375 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [2,0,0,0,0,0|1,0,0]=3 2376 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [2,0,0,0,0,0|2,0,0]=4 2377 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|2,0,0]=4 2378 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|2,0,0]=4 2379 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [2,0,0,0,0,0|2,0,0]=4 2380 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|1,0,0]=3 2381 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [2,0,0,0,0,0|2,0,0]=4 2382 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [2,0,0,0,0,0|2,0,0]=4 2383 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|1,0,0]=3 2384 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|2,0,0]=4 2385 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|2,0,0]=4 2386 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|1,0,0]=3 2387 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|1,0,0]=3 2388 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|1,0,0]=3 2389 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|1,0,0]=3 2390 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [2,0,0,0,0,0|2,0,0]=4 2391 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [2,0,0,0,0,0|2,0,0]=4 2392 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|1,0,0]=3 2393 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|1,0,0]=3 2394 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,0]=3 2395 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,0]=3 2396 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,0]=3 2397 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,0]=3 2398 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,0]=3 2399 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,0]=3 2400 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,0]=3 2401 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 2402 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,0]=3 2403 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,0]=3 2404 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 2405 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,0]=3 2406 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|1,0,0]=3 2407 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|1,0,0]=3 2408 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|1,0,0]=3 2409 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|1,0,0]=3 2410 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,0]=3 2411 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,0,0]=3 2412 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,0,0]=3 2413 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|2,0,0]=4 2414 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|1,0,0]=3 2415 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|1,0,0]=3 2416 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|2,0,0]=4 2417 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|2,0,0]=4 2418 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|2,0,0]=4 2419 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|2,0,0]=4 2420 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,0]=3 2421 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,0]=3 2422 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,0]=3 2423 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|2,0,0]=4 2424 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|2,0,0]=4 2425 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|2,0,0]=4 2426 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|2,0,0]=4 2427 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|2,0,0]=4 2428 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,0]=3 2429 B5R0.2 CCOCSC 34a_100121572206_100011218213 [2,0,0,0,0,0|2,0,0]=4 2430 B5R0.2 CCOCSC 62a_100000739092_200000210301 [2,0,0,0,0,0|2,0,0]=4 2431 B5R0.2 CCOCSC 62a_200000210301_100000739092 [2,0,0,0,0,0|2,0,0]=4 2432 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [2,0,0,0,0,0|2,0,0]=4 2433 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [2,0,0,0,0,0|2,0,0]=4 2434 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|2,0,0]=4 2435 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|2,0,0]=4 2436 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,0]=3 2437 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,0]=3 2438 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|2,0,0]=4 2439 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|2,0,0]=4 2440 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|2,0,0]=4 2441 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|2,0,0]=4 2442 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 2443 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 2444 B5R0.2 CNCCCF 34a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 2445 B5R0.2 CNCCCF 34a_100102657272_100011934791 [2,0,0,0,0,0|2,0,0]=4 2446 B5R0.2 CNCCCF 7a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 2447 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,0]=3 2448 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,0]=3 2449 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,0]=3 2450 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [2,0,0,0,0,0|2,0,0]=4 2451 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [2,0,0,0,0,0|2,0,0]=4 2452 B5R0.2 CNCCOC 34a_100102657272_100011201679 [2,0,0,0,0,0|2,0,0]=4 2453 B5R0.2 CNCCOC 7a_106832991635_100000233755 [2,0,0,0,0,0|2,0,0]=4 2454 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [2,0,0,0,0,0|2,0,0]=4 2455 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [2,0,0,0,0,0|2,0,0]=4 2456 B5R0.2 CNCCSC 34a_100102657272_100000212216 [2,0,0,0,0,0|2,0,0]=4 2457 B5R0.2 CNCCSC 7a_106832991635_100000212216 [2,0,0,0,0,0|2,0,0]=4 2458 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|2,0,0]=4 2459 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|2,0,0]=4 2460 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|2,0,0]=4 2461 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|2,0,0]=4 2462 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|2,0,0]=4 2463 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,0]=3 2464 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [2,0,0,0,0,0|2,0,0]=4 2465 B5R0.2 COCCOC 34a_100000210237_200000210301 [2,0,0,0,0,0|2,0,0]=4 2466 B5R0.2 COCCOC 34a_100138415774_100011201679 [2,0,0,0,0,0|2,0,0]=4 2467 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [2,0,0,0,0,0|2,0,0]=4 2468 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 2469 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|2,0,0]=4 2470 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|2,0,0]=4 2471 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|2,0,0]=4 2472 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|2,0,0]=4 2473 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|2,0,0]=4 2474 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|2,0,0]=4 2475 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|2,0,0]=4 2476 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|2,0,0]=4 2477 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,0]=3 2478 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,0]=3 2479 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [2,0,0,0,0,0|2,0,0]=4 2480 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 2481 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|2,0,0]=4 2482 B5R0.2 CSCCSC 62a_100000212216_200000210301 [2,0,0,0,0,0|2,0,0]=4 2483 B5R0.2 CSCCSC 62a_200000210301_100000751147 [2,0,0,0,0,0|2,0,0]=4 2484 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [2,0,0,0,0,0|2,0,0]=4 2485 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [2,0,0,0,0,0|2,0,0]=4 2486 B5R0.2 OCCNCF 34a_100016990907_100015361967 [2,0,0,0,0,0|2,0,0]=4 2487 B5R0.2 OCCSCF 62a_100000211926_100015361967 [2,0,0,0,0,0|2,0,0]=4 2488 B5R0.2 OCCSCF 62a_100015361967_100000211926 [2,0,0,0,0,0|2,0,0]=4 2489 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 2490 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 2491 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|2,0,0]=4 2492 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|2,0,0]=4 2493 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|2,0,0]=4 2494 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|2,0,0]=4 2495 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|2,0,0]=4 2496 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|2,0,0]=4 2497 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,0]=3 2498 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,0]=3 2499 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [2,0,0,0,0,0|2,0,0]=4 2500 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|0,0,2]=4 2501 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [2,0,0,0,0,0|2,0,0]=4 2502 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [2,0,0,0,0,0|2,0,0]=4 2503 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [2,0,0,0,0,0|2,0,0]=4 2504 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [2,0,0,0,0,0|2,0,0]=4 2505 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [2,0,0,0,0,0|2,0,0]=4 2506 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [2,0,0,0,0,0|2,0,0]=4 2507 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [2,0,0,0,0,0|2,0,0]=4 2508 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [2,0,0,0,0,0|2,0,0]=4 2509 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [2,0,0,0,0,0|2,0,0]=4 2510 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [2,0,0,0,0,0|2,0,0]=4 2511 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [2,0,0,0,0,0|2,0,0]=4 2512 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|1,0,1]=4 2513 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|0,0,2]=4 2514 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [1,1,0,0,0,0|2,0,0]=4 2515 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [1,1,0,0,0,0|2,0,0]=4 2516 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [1,1,0,0,0,0|2,0,0]=4 2517 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [1,1,0,0,0,0|2,0,0]=4 2518 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [1,1,0,0,0,0|2,0,0]=4 2519 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [1,1,0,0,0,0|2,0,0]=4 2520 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [1,1,0,0,0,0|2,0,0]=4 2521 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|0,0,2]=4 2522 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|1,0,1]=4 2523 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|1,0,1]=4 2524 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|1,0,1]=4 2525 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [1,1,0,0,0,0|2,0,0]=4 2526 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [1,1,0,0,0,0|2,0,0]=4 2527 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [1,1,0,0,0,0|1,0,0]=3 2528 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [1,1,0,0,0,0|1,0,0]=3 2529 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [1,1,0,0,0,0|1,0,0]=3 2530 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [1,1,0,0,0,0|2,0,0]=4 2531 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [1,1,0,0,0,0|1,0,0]=3 2532 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [1,1,0,0,0,0|1,0,0]=3 2533 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [1,1,0,0,0,0|1,0,0]=3 2534 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [1,1,0,0,0,0|2,0,0]=4 2535 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [1,1,0,0,0,0|2,0,0]=4 2536 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [1,1,0,0,0,0|2,0,0]=4 2537 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [1,1,0,0,0,0|2,0,0]=4 2538 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,1,0,0,0,0|0,0,2]=4 2539 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|0,0,2]=4 2540 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|0,0,2]=4 2541 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,1,0,0,0,0|0,0,2]=4 2542 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,1,0,0,0,0|0,0,2]=4 2543 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [1,1,0,0,0,0|2,0,0]=4 2544 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [1,1,0,0,0,0|2,0,0]=4 2545 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|2,0,0]=4 2546 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|0,0,2]=4 2547 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|0,0,2]=4 2548 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|0,0,2]=4 2549 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,1,0,0,0,0|2,0,0]=4 2550 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,1,0,0,0,0|2,0,0]=4 2551 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,1,0,0,0,0|2,0,0]=4 2552 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,1,0,0,0,0|2,0,0]=4 2553 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|1,0,0]=3 2554 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|1,0,0]=3 2555 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|1,0,0]=3 2556 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|1,0,0]=3 2557 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|1,0,0]=3 2558 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,1,0,0,0,0|1,1,0]=4 2559 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,1,0,0,0,0|1,1,0]=4 2560 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,1,0,0,0,0|1,1,0]=4 2561 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,1,0,0,0,0|1,1,0]=4 2562 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,1,0,0,0,0|2,0,0]=4 2563 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,1,0,0,0,0|2,0,0]=4 2564 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,1,0,0,0,0|2,0,0]=4 2565 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|2,0,0]=4 2566 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|2,0,0]=4 2567 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|2,0,0]=4 2568 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,1,0,0,0,0|2,0,0]=4 2569 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,1,0,0,0,0|2,0,0]=4 2570 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,1,0,0,0,0|2,0,0]=4 2571 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,1,0,0,0,0|2,0,0]=4 2572 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [1,1,0,0,0,0|2,0,0]=4 2573 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [1,1,0,0,0,0|2,0,0]=4 2574 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,1,0,0,0,0|2,0,0]=4 2575 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,1,0,0,0,0|2,0,0]=4 2576 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,1,0,0,0,0|2,0,0]=4 2577 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,1,0,0,0,0|2,0,0]=4 2578 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,1,0,0,0,0|2,0,0]=4 2579 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,1,0,0,0,0|2,0,0]=4 2580 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 2581 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [1,1,0,0,0,0|2,0,0]=4 2582 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,1,0,0,0,0|2,0,0]=4 2583 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,1,0,0,0,0|2,0,0]=4 2584 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,0]=3 2585 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,0]=3 2586 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [1,1,0,0,0,0|2,0,0]=4 2587 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [1,1,0,0,0,0|2,0,0]=4 2588 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [1,1,0,0,0,0|2,0,0]=4 2589 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [1,1,0,0,0,0|2,0,0]=4 2590 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [1,1,0,0,0,0|2,0,0]=4 2591 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [1,1,0,0,0,0|2,0,0]=4 2592 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,1,0,0,0,0|2,0,0]=4 2593 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,1,0,0,0,0|2,0,0]=4 2594 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,1,0,0,0,0|2,0,0]=4 2595 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [1,1,0,0,0,0|2,0,0]=4 2596 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [1,1,0,0,0,0|2,0,0]=4 2597 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [1,1,0,0,0,0|2,0,0]=4 2598 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [1,1,0,0,0,0|2,0,0]=4 2599 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [1,1,0,0,0,0|1,0,0]=3 2600 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [1,1,0,0,0,0|1,0,0]=3 2601 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [1,1,0,0,0,0|1,0,0]=3 2602 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [1,1,0,0,0,0|1,0,0]=3 2603 B7R0.7 CNC[C@@H](O)CC#N 2230a_106832991635_100000001066 [1,1,0,0,0,0|2,0,0]=4 2604 B7R0.7 CNC[C@@H](O)CC#N 7a_106832991635_100000001066 [1,1,0,0,0,0|2,0,0]=4 2605 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [1,1,0,0,0,0|2,0,0]=4 2606 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [1,1,0,0,0,0|2,0,0]=4 2607 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [1,1,0,0,0,0|2,0,0]=4 2608 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [1,1,0,0,0,0|1,0,0]=3 2609 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [1,1,0,0,0,0|1,0,0]=3 2610 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [1,1,0,0,0,0|1,0,0]=3 2611 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [1,1,0,0,0,0|1,0,0]=3 2612 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [1,1,0,0,0,0|1,0,0]=3 2613 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [1,1,0,0,0,0|1,0,0]=3 2614 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [1,1,0,0,0,0|1,0,0]=3 2615 B7R0.7 CSC[C@@H](O)CC#N 62a_100000001066_200000210301 [1,1,0,0,0,0|2,0,0]=4 2616 B7R0.7 CSC[C@@H](O)CC#N 62a_200000210301_100000001066 [1,1,0,0,0,0|2,0,0]=4 2617 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_100000001066_200025704644 [1,1,0,0,0,0|2,0,0]=4 2618 B7R0.7 [13CH3]SC[C@@H](O)CC#N 62a_200025704644_100000001066 [1,1,0,0,0,0|2,0,0]=4 2619 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|1,0,1]=4 2620 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|0,0,1]=3 2621 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|0,0,2]=4 2622 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [1,1,0,0,0,0|2,0,0]=4 2623 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [1,1,0,0,0,0|2,0,0]=4 2624 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [1,1,0,0,0,0|2,0,0]=4 2625 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [1,1,0,0,0,0|2,0,0]=4 2626 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [1,1,0,0,0,0|2,0,0]=4 2627 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [1,1,0,0,0,0|2,0,0]=4 2628 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [1,1,0,0,0,0|2,0,0]=4 2629 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [1,1,0,0,0,0|2,0,0]=4 2630 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,1,0,0,0,0|1,0,1]=4 2631 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [1,1,0,0,0,0|1,0,1]=4 2632 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [1,1,0,0,0,0|2,0,0]=4 2633 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [1,1,0,0,0,0|2,0,0]=4 2634 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [1,1,0,0,0,0|2,0,0]=4 2635 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [1,1,0,0,0,0|2,0,0]=4 2636 B7R0.11 CCSC(F)(F)CO 62a_100000210202_100011217949 [1,1,0,0,0,0|2,0,0]=4 2637 B7R0.11 CCSC(F)(F)CO 62a_100011217949_100000210202 [1,1,0,0,0,0|2,0,0]=4 2638 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [1,1,0,0,0,0|2,0,0]=4 2639 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [1,1,0,0,0,0|2,0,0]=4 2640 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [1,1,0,0,0,0|2,0,0]=4 2641 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [1,1,0,0,0,0|2,0,0]=4 2642 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [1,1,0,0,0,0|2,0,0]=4 2643 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [1,1,0,0,0,0|2,0,0]=4 2644 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 2645 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 2646 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 2647 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 2648 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 2649 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 2650 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 2651 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 2652 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [1,1,0,0,0,0|2,0,0]=4 2653 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [1,1,0,0,0,0|2,0,0]=4 2654 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [1,1,0,0,0,0|2,0,0]=4 2655 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [1,1,0,0,0,0|2,0,0]=4 2656 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [1,1,0,0,0,0|2,0,0]=4 2657 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [1,1,0,0,0,0|2,0,0]=4 2658 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [1,1,0,0,0,0|2,0,0]=4 2659 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [1,1,0,0,0,0|2,0,0]=4 2660 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 2661 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 2662 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 2663 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 2664 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,1,0,0,0,0|2,0,0]=4 2665 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,1,0,0,0,0|2,0,0]=4 2666 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,1,0,0,0,0|2,0,0]=4 2667 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,1,0,0,0,0|2,0,0]=4 2668 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,1,0,0,0,0|1,0,0]=3 2669 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,1,0,0,0,0|1,0,0]=3 2670 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,1,0,0,0,0|1,0,0]=3 2671 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,1,0,0,0,0|1,0,0]=3 2672 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,1,0,0,0,0|1,1,0]=4 2673 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,1,0,0,0,0|1,1,0]=4 2674 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,1,0,0,0,0|1,1,0]=4 2675 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,1,0,0,0,0|1,1,0]=4 2676 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [1,1,0,0,0,0|1,0,0]=3 2677 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,0]=3 2678 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [1,1,0,0,0,0|1,0,0]=3 2679 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,0]=3 2680 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [1,1,0,0,0,0|1,0,0]=3 2681 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [1,1,0,0,0,0|2,0,0]=4 2682 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [1,1,0,0,0,0|2,0,0]=4 2683 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [1,1,0,0,0,0|2,0,0]=4 2684 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [1,1,0,0,0,0|2,0,0]=4 2685 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [1,1,0,0,0,0|2,0,0]=4 2686 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [1,1,0,0,0,0|2,0,0]=4 2687 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [1,1,0,0,0,0|2,0,0]=4 2688 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [1,1,0,0,0,0|2,0,0]=4 2689 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [1,1,0,0,0,0|2,0,0]=4 2690 B7R0.4 C#CCNCC(C)O 2230a_100000210904_100000038162 [1,1,0,0,0,0|0,0,2]=4 2691 B7R0.4 C#CCNCC(C)O 34a_100000210904_100000184674 [1,1,0,0,0,0|0,0,2]=4 2692 B7R0.4 C#CCNCC(C)O 34a_100000212058_100011218427 [1,1,0,0,0,0|0,0,2]=4 2693 B7R0.4 C#CCNC[C@@H](C)O 34a_100000212058_100009817552 [1,1,0,0,0,0|0,0,2]=4 2694 B7R0.4 C#CCOCC(C)O 34a_100000210247_100011218427 [1,1,0,0,0,0|0,0,2]=4 2695 B7R0.4 C#CCOC[C@@H](C)O 34a_100000210247_100009817552 [1,1,0,0,0,0|0,0,2]=4 2696 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [1,1,0,0,0,0|0,0,2]=4 2697 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [1,1,0,0,0,0|0,0,2]=4 2698 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,1,0,0,0,0|1,0,1]=4 2699 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|1,0,1]=4 2700 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|1,0,1]=4 2701 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|1,0,1]=4 2702 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|1,0,1]=4 2703 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|1,0,1]=4 2704 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|1,0,1]=4 2705 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|1,0,1]=4 2706 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|1,0,1]=4 2707 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,1,0,0,0,0|0,0,2]=4 2708 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,1,0,0,0,0|0,0,2]=4 2709 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,1,0,0,0,0|0,0,2]=4 2710 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,1,0,0,0,0|0,0,2]=4 2711 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [1,1,0,0,0,0|0,0,2]=4 2712 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [1,1,0,0,0,0|0,0,2]=4 2713 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,1,0,0,0,0|0,0,2]=4 2714 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,1,0,0,0,0|0,0,2]=4 2715 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,1,0,0,0,0|0,0,2]=4 2716 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,1,0,0,0,0|0,0,2]=4 2717 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|0,0,2]=4 2718 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|0,0,2]=4 2719 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|0,0,2]=4 2720 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|0,0,2]=4 2721 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|0,0,2]=4 2722 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|0,0,2]=4 2723 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|0,0,2]=4 2724 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2725 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [1,1,0,0,0,0|2,0,0]=4 2726 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,1,0,0,0,0|2,0,0]=4 2727 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,1,0,0,0,0|1,0,0]=3 2728 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,1,0,0,0,0|1,0,0]=3 2729 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,1,0,0,0,0|1,0,0]=3 2730 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,1,0,0,0,0|1,0,0]=3 2731 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,1,0,0,0,0|1,0,0]=3 2732 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,1,0,0,0,0|1,0,0]=3 2733 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,1,0,0,0,0|2,0,0]=4 2734 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,1,0,0,0,0|2,0,0]=4 2735 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,1,0,0,0,0|2,0,0]=4 2736 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,1,0,0,0,0|2,0,0]=4 2737 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,1,0,0,0,0|2,0,0]=4 2738 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,1,0,0,0,0|2,0,0]=4 2739 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,1,0,0,0,0|2,0,0]=4 2740 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,1,0,0,0,0|2,0,0]=4 2741 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,1,0,0,0,0|2,0,0]=4 2742 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,1,0,0,0,0|2,0,0]=4 2743 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,1,0,0,0,0|2,0,0]=4 2744 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,1,0,0,0,0|2,0,0]=4 2745 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,1,0,0,0,0|2,0,0]=4 2746 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,1,0,0,0,0|2,0,0]=4 2747 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,1,0,0,0,0|2,0,0]=4 2748 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,1,0,0,0,0|2,0,0]=4 2749 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,1,0,0,0,0|2,0,0]=4 2750 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,1,0,0,0,0|2,0,0]=4 2751 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,1,0,0,0,0|2,0,0]=4 2752 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,1,0,0,0,0|2,0,0]=4 2753 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [1,1,0,0,0,0|2,0,0]=4 2754 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [1,1,0,0,0,0|2,0,0]=4 2755 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [1,1,0,0,0,0|2,0,0]=4 2756 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [1,1,0,0,0,0|2,0,0]=4 2757 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,1,0,0,0,0|2,0,0]=4 2758 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,1,0,0,0,0|2,0,0]=4 2759 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [1,1,0,0,0,0|2,0,0]=4 2760 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,1,0,0,0,0|2,0,0]=4 2761 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,1,0,0,0,0|2,0,0]=4 2762 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,1,0,0,0,0|2,0,0]=4 2763 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,1,0,0,0,0|2,0,0]=4 2764 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,1,0,0,0,0|2,0,0]=4 2765 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,1,0,0,0,0|2,0,0]=4 2766 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,1,0,0,0,0|2,0,0]=4 2767 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,1,0,0,0,0|2,0,0]=4 2768 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,1,0,0,0,0|2,0,0]=4 2769 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,1,0,0,0,0|2,0,0]=4 2770 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,1,0,0,0,0|2,0,0]=4 2771 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,1,0,0,0,0|2,0,0]=4 2772 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,1,0,0,0,0|2,0,0]=4 2773 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,1,0,0,0,0|2,0,0]=4 2774 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,1,0,0,0,0|2,0,0]=4 2775 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,1,0,0,0,0|2,0,0]=4 2776 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [1,1,0,0,0,0|2,0,0]=4 2777 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [1,1,0,0,0,0|2,0,0]=4 2778 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [1,1,0,0,0,0|2,0,0]=4 2779 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [1,1,0,0,0,0|2,0,0]=4 2780 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,1,0,0,0,0|2,0,0]=4 2781 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,1,0,0,0,0|2,0,0]=4 2782 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [1,1,0,0,0,0|2,0,0]=4 2783 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,1,0,0,0,0|2,0,0]=4 2784 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|0,0,0]=2 2785 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|0,0,0]=2 2786 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,1,0,0,0,0|1,0,0]=3 2787 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,1,0,0,0,0|1,0,0]=3 2788 B7R0.4 CC(O)CNCC#N 2230a_100000210904_100011215382 [1,1,0,0,0,0|1,0,1]=4 2789 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,1,0,0,0,0|1,0,1]=4 2790 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|1,0,1]=4 2791 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [1,1,0,0,0,0|1,0,0]=3 2792 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [1,1,0,0,0,0|1,0,0]=3 2793 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [1,1,0,0,0,0|1,0,0]=3 2794 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,1,0,0,0,0|1,0,0]=3 2795 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,1,0,0,0,0|1,0,0]=3 2796 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|1,0,0]=3 2797 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,1,0,0,0,0|1,0,0]=3 2798 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,1,0,0,0,0|1,0,0]=3 2799 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,1,0,0,0,0|1,0,0]=3 2800 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [1,1,0,0,0,0|1,0,1]=4 2801 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [1,1,0,0,0,0|1,0,1]=4 2802 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,1,0,0,0,0|1,0,1]=4 2803 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,1,0,0,0,0|1,0,1]=4 2804 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,1,0,0,0,0|1,0,0]=3 2805 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,1,0,0,0,0|1,0,0]=3 2806 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,1,0,0,0,0|1,0,0]=3 2807 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,1,0,0,0,0|1,0,0]=3 2808 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [1,1,0,0,0,0|1,0,1]=4 2809 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|0,0,2]=4 2810 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|0,0,2]=4 2811 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|0,0,2]=4 2812 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,1,0,0,0,0|2,0,0]=4 2813 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,1,0,0,0,0|2,0,0]=4 2814 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,1,0,0,0,0|2,0,0]=4 2815 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,1,0,0,0,0|2,0,0]=4 2816 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,1,0,0,0,0|2,0,0]=4 2817 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,1,0,0,0,0|2,0,0]=4 2818 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|0,0,2]=4 2819 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|0,0,2]=4 2820 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|0,0,2]=4 2821 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|0,0,2]=4 2822 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,1,0,0,0,0|1,0,0]=3 2823 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,1,0,0,0,0|1,0,0]=3 2824 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,1,0,0,0,0|1,0,0]=3 2825 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,1,0,0,0,0|1,0,0]=3 2826 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|1,0,0]=3 2827 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|1,0,0]=3 2828 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|1,0,0]=3 2829 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|1,0,0]=3 2830 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|1,0,0]=3 2831 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|0,0,2]=4 2832 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,1,0,0,0,0|1,0,0]=3 2833 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,1,0,0,0,0|1,0,0]=3 2834 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,1,0,0,0,0|1,0,0]=3 2835 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,1,0,0,0,0|0,0,0]=2 2836 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,1,0,0,0,0|0,0,0]=2 2837 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [1,1,0,0,0,0|2,0,0]=4 2838 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|0,0,2]=4 2839 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|0,0,2]=4 2840 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|0,0,2]=4 2841 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,1,0,0,0,0|1,0,0]=3 2842 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,1,0,0,0,0|1,0,0]=3 2843 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,1,0,0,0,0|1,0,0]=3 2844 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,1,0,0,0,0|1,0,0]=3 2845 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,1,0,0,0,0|0,0,0]=2 2846 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [1,1,0,0,0,0|2,0,0]=4 2847 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [1,1,0,0,0,0|2,0,0]=4 2848 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,1,0,0,0,0|1,0,0]=3 2849 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,1,0,0,0,0|1,0,0]=3 2850 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,1,0,0,0,0|0,0,0]=2 2851 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|0,0,2]=4 2852 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|0,0,2]=4 2853 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,1,0,0,0,0|1,0,0]=3 2854 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,1,0,0,0,0|1,0,0]=3 2855 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|0,0,0]=2 2856 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|0,0,0]=2 2857 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [1,1,0,0,0,0|2,0,0]=4 2858 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [1,1,0,0,0,0|2,0,0]=4 2859 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|0,0,0]=2 2860 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|0,0,0]=2 2861 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,1,0,0,0,0|1,0,0]=3 2862 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,1,0,0,0,0|1,0,0]=3 2863 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,1,0,0,0,0|0,0,0]=2 2864 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,1,0,0,0,0|0,0,0]=2 2865 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,1,0,0,0,0|2,0,0]=4 2866 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|0,0,2]=4 2867 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|0,0,2]=4 2868 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|0,0,2]=4 2869 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|0,0,2]=4 2870 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|0,0,2]=4 2871 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,1,0,0,0,0|1,0,0]=3 2872 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|1,0,0]=3 2873 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|1,0,0]=3 2874 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|1,0,0]=3 2875 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,1,0,0,0,0|0,0,0]=2 2876 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [1,1,0,0,0,0|2,0,0]=4 2877 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,1,0,0,0,0|2,0,0]=4 2878 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,1,0,0,0,0|2,0,0]=4 2879 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,0]=3 2880 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,1,0,0,0,0|2,0,0]=4 2881 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,1,0,0,0,0|2,0,0]=4 2882 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,1,0,0,0,0|2,0,0]=4 2883 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|0,0,2]=4 2884 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|0,0,2]=4 2885 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|0,0,2]=4 2886 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|0,0,2]=4 2887 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|0,0,2]=4 2888 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|1,0,0]=3 2889 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|1,0,0]=3 2890 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|0,0,0]=2 2891 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|0,0,0]=2 2892 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 2893 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 2894 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,1,0,0,0,0|2,0,0]=4 2895 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,1,0,0,0,0|2,0,0]=4 2896 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,1,0,0,0,0|2,0,0]=4 2897 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,1,0,0,0,0|2,0,0]=4 2898 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,1,0,0,0,0|2,0,0]=4 2899 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,1,0,0,0,0|2,0,0]=4 2900 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,1,0,0,0,0|2,0,0]=4 2901 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,1,0,0,0,0|2,0,0]=4 2902 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,1,0,0,0,0|2,0,0]=4 2903 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,1,0,0,0,0|2,0,0]=4 2904 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,1,0,0,0,0|2,0,0]=4 2905 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,1,0,0,0,0|2,0,0]=4 2906 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|0,0,2]=4 2907 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|0,0,2]=4 2908 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,1,0,0,0,0|1,0,0]=3 2909 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,1,0,0,0,0|1,0,0]=3 2910 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,1,0,0,0,0|1,0,0]=3 2911 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,1,0,0,0,0|1,0,0]=3 2912 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,1,0,0,0,0|1,0,0]=3 2913 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,1,0,0,0,0|0,0,0]=2 2914 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,1,0,0,0,0|0,0,0]=2 2915 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,1,0,0,0,0|0,0,0]=2 2916 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,1,0,0,0,0|2,0,0]=4 2917 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,1,0,0,0,0|1,0,1]=4 2918 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,1,0,0,0,0|2,0,0]=4 2919 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,1,0,0,0,0|2,0,0]=4 2920 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,1,0,0,0,0|2,0,0]=4 2921 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,1,0,0,0,0|2,0,0]=4 2922 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,1,0,0,0,0|2,0,0]=4 2923 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [1,1,0,0,0,0|2,0,0]=4 2924 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [1,1,0,0,0,0|2,0,0]=4 2925 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [1,1,0,0,0,0|2,0,0]=4 2926 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [1,1,0,0,0,0|2,0,0]=4 2927 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [1,1,0,0,0,0|2,0,0]=4 2928 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|0,0,2]=4 2929 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|0,0,2]=4 2930 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|0,0,2]=4 2931 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|0,0,2]=4 2932 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|0,0,2]=4 2933 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|0,0,2]=4 2934 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,1,0,0,0,0|1,0,0]=3 2935 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,1,0,0,0,0|1,0,0]=3 2936 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,1,0,0,0,0|1,0,0]=3 2937 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,1,0,0,0,0|0,0,0]=2 2938 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,1,0,0,0,0|2,0,0]=4 2939 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,1,0,0,0,0|2,0,0]=4 2940 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,1,0,0,0,0|2,0,0]=4 2941 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,1,0,0,0,0|2,0,0]=4 2942 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,1,0,0,0,0|2,0,0]=4 2943 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,1,0,0,0,0|2,0,0]=4 2944 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [1,1,0,0,0,0|2,0,0]=4 2945 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [1,1,0,0,0,0|2,0,0]=4 2946 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [1,1,0,0,0,0|2,0,0]=4 2947 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [1,1,0,0,0,0|2,0,0]=4 2948 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,1,0,0,0,0|2,0,0]=4 2949 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,1,0,0,0,0|2,0,0]=4 2950 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,1,0,0,0,0|2,0,0]=4 2951 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,1,0,0,0,0|2,0,0]=4 2952 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,1,0,0,0,0|2,0,0]=4 2953 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [1,1,0,0,0,0|2,0,0]=4 2954 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [1,1,0,0,0,0|2,0,0]=4 2955 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [1,1,0,0,0,0|2,0,0]=4 2956 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [1,1,0,0,0,0|2,0,0]=4 2957 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [1,1,0,0,0,0|2,0,0]=4 2958 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [1,1,0,0,0,0|2,0,0]=4 2959 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [1,1,0,0,0,0|1,0,0]=3 2960 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,1,0,0,0,0|2,0,0]=4 2961 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,1,0,0,0,0|2,0,0]=4 2962 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [1,1,0,0,0,0|1,0,0]=3 2963 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [1,1,0,0,0,0|1,0,0]=3 2964 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [1,1,0,0,0,0|1,0,0]=3 2965 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [1,1,0,0,0,0|1,0,0]=3 2966 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,1,0,0,0,0|1,0,1]=4 2967 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|0,0,2]=4 2968 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|0,0,2]=4 2969 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|0,0,2]=4 2970 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|0,0,2]=4 2971 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,1,0,0,0,0|1,0,0]=3 2972 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,1,0,0,0,0|1,0,0]=3 2973 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|0,0,0]=2 2974 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|0,0,0]=2 2975 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,1,0,0,0,0|2,0,0]=4 2976 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,1,0,0,0,0|2,0,0]=4 2977 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,1,0,0,0,0|2,0,0]=4 2978 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,1,0,0,0,0|2,0,0]=4 2979 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,1,0,0,0,0|2,0,0]=4 2980 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,1,0,0,0,0|2,0,0]=4 2981 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,1,0,0,0,0|2,0,0]=4 2982 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,1,0,0,0,0|2,0,0]=4 2983 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,1,0,0,0,0|2,0,0]=4 2984 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,1,0,0,0,0|2,0,0]=4 2985 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,1,0,0,0,0|2,0,0]=4 2986 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,1,0,0,0,0|2,0,0]=4 2987 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,1,0,0,0,0|2,0,0]=4 2988 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,1,0,0,0,0|2,0,0]=4 2989 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,1,0,0,0,0|2,0,0]=4 2990 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,1,0,0,0,0|1,0,0]=3 2991 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,1,0,0,0,0|1,0,0]=3 2992 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [1,1,0,0,0,0|2,0,0]=4 2993 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,1,0,0,0,0|2,0,0]=4 2994 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [1,1,0,0,0,0|2,0,0]=4 2995 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [1,1,0,0,0,0|2,0,0]=4 2996 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [1,1,0,0,0,0|2,0,0]=4 2997 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,1,0,0,0,0|2,0,0]=4 2998 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,1,0,0,0,0|2,0,0]=4 2999 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,1,0,0,0,0|1,0,0]=3 3000 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,1,0,0,0,0|1,0,0]=3 3001 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,1,0,0,0,0|1,0,0]=3 3002 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,1,0,0,0,0|1,0,0]=3 3003 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [1,1,0,0,0,0|2,0,0]=4 3004 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,1,0,0,0,0|2,0,0]=4 3005 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [1,1,0,0,0,0|2,0,0]=4 3006 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [1,1,0,0,0,0|2,0,0]=4 3007 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,1,0,0,0,0|2,0,0]=4 3008 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [1,1,0,0,0,0|1,0,0]=3 3009 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,1,0,0,0,0|1,0,0]=3 3010 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,1,0,0,0,0|1,0,0]=3 3011 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,1,0,0,0,0|1,0,0]=3 3012 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,1,0,0,0,0|1,0,0]=3 3013 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [1,1,0,0,0,0|1,0,1]=4 3014 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [1,1,0,0,0,0|1,0,1]=4 3015 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,1,0,0,0,0|1,0,1]=4 3016 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,1,0,0,0,0|1,0,1]=4 3017 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,1,0,0,0,0|1,0,0]=3 3018 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,1,0,0,0,0|1,0,0]=3 3019 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,1,0,0,0,0|1,0,0]=3 3020 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,1,0,0,0,0|1,0,0]=3 3021 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|0,0,2]=4 3022 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|0,0,2]=4 3023 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|0,0,2]=4 3024 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|0,0,1]=3 3025 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|1,0,1]=4 3026 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|1,0,1]=4 3027 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|1,0,1]=4 3028 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [1,1,0,0,0,0|2,0,0]=4 3029 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|0,0,2]=4 3030 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,1,0,0,0,0|2,0,0]=4 3031 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,1,0,0,0,0|2,0,0]=4 3032 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,1,0,0,0,0|2,0,0]=4 3033 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,1,0,0,0,0|2,0,0]=4 3034 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,1,0,0,0,0|2,0,0]=4 3035 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,1,0,0,0,0|2,0,0]=4 3036 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [1,1,0,0,0,0|2,0,0]=4 3037 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [1,1,0,0,0,0|2,0,0]=4 3038 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [1,1,0,0,0,0|2,0,0]=4 3039 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [1,1,0,0,0,0|2,0,0]=4 3040 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [1,1,0,0,0,0|2,0,0]=4 3041 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [1,1,0,0,0,0|2,0,0]=4 3042 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [1,1,0,0,0,0|2,0,0]=4 3043 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [1,1,0,0,0,0|2,0,0]=4 3044 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [1,1,0,0,0,0|1,0,0]=3 3045 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [1,1,0,0,0,0|1,0,0]=3 3046 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [1,1,0,0,0,0|2,0,0]=4 3047 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [1,1,0,0,0,0|2,0,0]=4 3048 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [1,1,0,0,0,0|1,0,0]=3 3049 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [1,1,0,0,0,0|1,0,0]=3 3050 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [1,1,0,0,0,0|1,0,0]=3 3051 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [1,1,0,0,0,0|2,0,0]=4 3052 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [1,1,0,0,0,0|1,0,0]=3 3053 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [1,1,0,0,0,0|1,0,0]=3 3054 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [1,1,0,0,0,0|1,0,0]=3 3055 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [1,1,0,0,0,0|1,0,0]=3 3056 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [1,1,0,0,0,0|1,0,0]=3 3057 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [1,1,0,0,0,0|1,0,0]=3 3058 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [1,1,0,0,0,0|1,0,0]=3 3059 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [1,1,0,0,0,0|1,0,0]=3 3060 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [1,1,0,0,0,0|1,0,0]=3 3061 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [1,1,0,0,0,0|2,0,0]=4 3062 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [1,1,0,0,0,0|2,0,0]=4 3063 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [1,1,0,0,0,0|2,0,0]=4 3064 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [1,1,0,0,0,0|2,0,0]=4 3065 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [1,1,0,0,0,0|2,0,0]=4 3066 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [1,1,0,0,0,0|1,0,0]=3 3067 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [1,1,0,0,0,0|1,0,0]=3 3068 B7R0.8 CC(C)(O)CSCF 62a_100000764493_100015361967 [1,1,0,0,0,0|2,0,0]=4 3069 B7R0.8 CC(C)(O)CSCF 62a_100015361967_100000764493 [1,1,0,0,0,0|2,0,0]=4 3070 B7R0.8 CCCNC(C)(C)C 2230a_100000715429_100000210303 [1,1,0,0,0,0|2,0,0]=4 3071 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [1,1,0,0,0,0|2,0,0]=4 3072 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [1,1,0,0,0,0|2,0,0]=4 3073 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [1,1,0,0,0,0|2,0,0]=4 3074 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [1,1,0,0,0,0|2,0,0]=4 3075 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [1,1,0,0,0,0|2,0,0]=4 3076 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [1,1,0,0,0,0|2,0,0]=4 3077 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [1,1,0,0,0,0|2,0,0]=4 3078 B7R0.8 CCNCC(C)(C)F 2230a_100020643315_100000210202 [1,1,0,0,0,0|2,0,0]=4 3079 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [1,1,0,0,0,0|1,0,0]=3 3080 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [1,1,0,0,0,0|2,0,0]=4 3081 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [1,1,0,0,0,0|2,0,0]=4 3082 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [1,1,0,0,0,0|2,0,0]=4 3083 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [1,1,0,0,0,0|1,0,0]=3 3084 B7R0.8 CCOCC(C)(F)F 34a_100000068830_100000210202 [1,1,0,0,0,0|2,0,0]=4 3085 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [1,1,0,0,0,0|2,0,0]=4 3086 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [1,1,0,0,0,0|2,0,0]=4 3087 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [1,1,0,0,0,0|2,0,0]=4 3088 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [1,1,0,0,0,0|2,0,0]=4 3089 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [1,1,0,0,0,0|1,0,0]=3 3090 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [1,1,0,0,0,0|1,0,0]=3 3091 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [1,1,0,0,0,0|2,0,0]=4 3092 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [1,1,0,0,0,0|2,0,0]=4 3093 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [1,1,0,0,0,0|2,0,0]=4 3094 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [1,1,0,0,0,0|2,0,0]=4 3095 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [1,1,0,0,0,0|2,0,0]=4 3096 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [1,1,0,0,0,0|1,0,0]=3 3097 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [1,1,0,0,0,0|1,0,0]=3 3098 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [1,1,0,0,0,0|1,0,0]=3 3099 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [1,1,0,0,0,0|2,0,0]=4 3100 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [1,1,0,0,0,0|2,0,0]=4 3101 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [1,1,0,0,0,0|1,0,0]=3 3102 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [1,1,0,0,0,0|2,0,0]=4 3103 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [1,1,0,0,0,0|2,0,0]=4 3104 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [1,1,0,0,0,0|1,0,0]=3 3105 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [1,1,0,0,0,0|1,0,0]=3 3106 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,1,0,0,0,0|1,0,1]=4 3107 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,1,0,0,0,0|1,0,1]=4 3108 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,1,0,0,0,0|1,0,1]=4 3109 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,1,0,0,0,0|1,0,1]=4 3110 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,1,0,0,0,0|1,0,1]=4 3111 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,1,0,0,0,0|1,0,1]=4 3112 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,1,0,0,0,0|1,0,1]=4 3113 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,1,0,0,0,0|0,0,2]=4 3114 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,1,0,0,0,0|0,0,2]=4 3115 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,1,0,0,0,0|0,0,2]=4 3116 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,1,0,0,0,0|0,0,2]=4 3117 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,1,0,0,0,0|0,0,2]=4 3118 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,1,0,0,0,0|1,0,1]=4 3119 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,1,0,0,0,0|1,0,1]=4 3120 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,1,0,0,0,0|1,0,1]=4 3121 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,1,0,0,0,0|1,0,1]=4 3122 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,1,0,0,0,0|1,0,1]=4 3123 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,1,0,0,0,0|1,0,1]=4 3124 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,1,0,0,0,0|1,0,1]=4 3125 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,1,0,0,0,0|1,0,1]=4 3126 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,1,0,0,0,0|1,0,1]=4 3127 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,1,0,0,0,0|1,0,1]=4 3128 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,1,0,0,0,0|1,0,1]=4 3129 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,1,0,0,0,0|1,0,1]=4 3130 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [1,1,0,0,0,0|0,0,2]=4 3131 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [1,1,0,0,0,0|0,0,2]=4 3132 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [1,1,0,0,0,0|0,0,2]=4 3133 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,1,0,0,0,0|1,0,1]=4 3134 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,1,0,0,0,0|1,0,1]=4 3135 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [1,1,0,0,0,0|0,0,2]=4 3136 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [1,1,0,0,0,0|1,0,1]=4 3137 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [1,1,0,0,0,0|1,0,1]=4 3138 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [1,1,0,0,0,0|0,0,2]=4 3139 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [1,1,0,0,0,0|0,0,2]=4 3140 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [1,1,0,0,0,0|1,0,1]=4 3141 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [1,1,0,0,0,0|1,0,1]=4 3142 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [1,1,0,0,0,0|1,0,1]=4 3143 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [1,1,0,0,0,0|0,0,2]=4 3144 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,1,0,0,0,0|1,0,1]=4 3145 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,1,0,0,0,0|1,0,1]=4 3146 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,1,0,0,0,0|1,0,1]=4 3147 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [1,1,0,0,0,0|0,0,2]=4 3148 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [1,1,0,0,0,0|1,0,1]=4 3149 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [1,1,0,0,0,0|0,0,2]=4 3150 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,1,0,0,0,0|0,0,2]=4 3151 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,1,0,0,0,0|0,0,2]=4 3152 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,1,0,0,0,0|0,0,2]=4 3153 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,1,0,0,0,0|0,0,2]=4 3154 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,1,0,0,0,0|1,0,1]=4 3155 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,1,0,0,0,0|1,0,1]=4 3156 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,1,0,0,0,0|1,0,1]=4 3157 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,1,0,0,0,0|1,0,1]=4 3158 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,1,0,0,0,0|1,0,1]=4 3159 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,1,0,0,0,0|1,0,1]=4 3160 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,1,0,0,0,0|1,0,1]=4 3161 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,1,0,0,0,0|0,0,2]=4 3162 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,1,0,0,0,0|0,0,2]=4 3163 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,1,0,0,0,0|0,0,2]=4 3164 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,1,0,0,0,0|0,0,2]=4 3165 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,1,0,0,0,0|0,0,2]=4 3166 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,1,0,0,0,0|1,0,1]=4 3167 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,1,0,0,0,0|1,0,1]=4 3168 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,1,0,0,0,0|1,0,1]=4 3169 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,1,0,0,0,0|1,0,1]=4 3170 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,1,0,0,0,0|1,0,1]=4 3171 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,1,0,0,0,0|1,0,1]=4 3172 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,1,0,0,0,0|1,0,1]=4 3173 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,1,0,0,0,0|1,0,1]=4 3174 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,1,0,0,0,0|1,0,1]=4 3175 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,1,0,0,0,0|1,0,1]=4 3176 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,1,0,0,0,0|1,0,1]=4 3177 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,1,0,0,0,0|1,0,1]=4 3178 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,1,0,0,0,0|1,0,1]=4 3179 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,1,0,0,0,0|0,0,2]=4 3180 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,1,0,0,0,0|0,0,2]=4 3181 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,1,0,0,0,0|0,0,2]=4 3182 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,1,0,0,0,0|1,0,1]=4 3183 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,1,0,0,0,0|1,0,1]=4 3184 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,1,0,0,0,0|0,0,2]=4 3185 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,1,0,0,0,0|1,0,1]=4 3186 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,1,0,0,0,0|1,0,1]=4 3187 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,1,0,0,0,0|0,0,2]=4 3188 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,1,0,0,0,0|0,0,2]=4 3189 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,1,0,0,0,0|1,0,1]=4 3190 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,1,0,0,0,0|1,0,1]=4 3191 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,1,0,0,0,0|1,0,1]=4 3192 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,1,0,0,0,0|0,0,2]=4 3193 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,1,0,0,0,0|1,0,1]=4 3194 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,1,0,0,0,0|1,0,1]=4 3195 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,1,0,0,0,0|1,0,1]=4 3196 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,1,0,0,0,0|0,0,2]=4 3197 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,1,0,0,0,0|1,0,1]=4 3198 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,1,0,0,0,0|1,0,1]=4 3199 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,1,0,0,0,0|0,0,2]=4 3200 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,1,0,0,0,0|0,0,2]=4 3201 B7R0.1 CC#CCNCCO 2230a_100000685387_100000211926 [1,1,0,0,0,0|0,0,2]=4 3202 B7R0.1 CC#CCNCCO 2230a_100016997473_100000748600 [1,1,0,0,0,0|0,0,2]=4 3203 B7R0.1 CC#CCNCCO 34a_100000685387_100000211926 [1,1,0,0,0,0|0,0,2]=4 3204 B7R0.1 CC#CCNCCO 34a_100016990907_100000748600 [1,1,0,0,0,0|0,0,2]=4 3205 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [1,1,0,0,0,0|0,0,2]=4 3206 B7R0.1 CC#CCSCCO 62a_100000211926_100000748600 [1,1,0,0,0,0|0,0,2]=4 3207 B7R0.1 CC#CCSCCO 62a_100000748600_100000211926 [1,1,0,0,0,0|0,0,2]=4 3208 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,1,0,0,0,0|0,0,2]=4 3209 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,1,0,0,0,0|0,0,2]=4 3210 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,1,0,0,0,0|0,0,2]=4 3211 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,1,0,0,0,0|0,0,2]=4 3212 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,1,0,0,0,0|0,0,2]=4 3213 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,1,0,0,0,0|0,0,2]=4 3214 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,1,0,0,0,0|0,0,2]=4 3215 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,1,0,0,0,0|0,0,2]=4 3216 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,1,0,0,0,0|0,0,2]=4 3217 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,1,0,0,0,0|0,0,2]=4 3218 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,1,0,0,0,0|0,0,2]=4 3219 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [1,1,0,0,0,0|0,0,2]=4 3220 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [1,1,0,0,0,0|0,0,2]=4 3221 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [1,1,0,0,0,0|0,0,2]=4 3222 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [1,1,0,0,0,0|0,0,2]=4 3223 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [1,1,0,0,0,0|0,0,2]=4 3224 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [1,1,0,0,0,0|0,0,2]=4 3225 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [1,1,0,0,0,0|0,0,2]=4 3226 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [1,1,0,0,0,0|0,0,2]=4 3227 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [1,1,0,0,0,0|1,0,1]=4 3228 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [1,1,0,0,0,0|0,0,2]=4 3229 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [1,1,0,0,0,0|0,0,2]=4 3230 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [1,1,0,0,0,0|0,0,2]=4 3231 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [1,1,0,0,0,0|0,0,2]=4 3232 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,1,0,0,0,0|1,0,0]=3 3233 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,1,0,0,0,0|1,0,0]=3 3234 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,1,0,0,0,0|1,0,0]=3 3235 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,1,0,0,0,0|1,0,0]=3 3236 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,1,0,0,0,0|1,0,0]=3 3237 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,1,0,0,0,0|0,0,0]=2 3238 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,1,0,0,0,0|0,0,0]=2 3239 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,1,0,0,0,0|0,0,0]=2 3240 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,1,0,0,0,0|0,0,0]=2 3241 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,1,0,0,0,0|0,0,0]=2 3242 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,1,0,0,0,0|0,1,0]=3 3243 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,1,0,0,0,0|0,1,0]=3 3244 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,1,0,0,0,0|0,1,0]=3 3245 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,1,0,0,0,0|0,1,0]=3 3246 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,1,0,0,0,0|1,0,0]=3 3247 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,1,0,0,0,0|1,0,0]=3 3248 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|1,0,0]=3 3249 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|1,0,0]=3 3250 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|1,0,0]=3 3251 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,1,0,0,0,0|1,0,0]=3 3252 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,1,0,0,0,0|1,0,0]=3 3253 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,1,0,0,0,0|1,0,0]=3 3254 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,1,0,0,0,0|1,0,0]=3 3255 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,1,0,0,0,0|1,0,0]=3 3256 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,1,0,0,0,0|1,0,0]=3 3257 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [1,1,0,0,0,0|1,0,1]=4 3258 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [1,1,0,0,0,0|1,0,1]=4 3259 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,1,0,0,0,0|0,0,2]=4 3260 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,1,0,0,0,0|0,0,2]=4 3261 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,1,0,0,0,0|1,0,0]=3 3262 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,1,0,0,0,0|1,0,0]=3 3263 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,1,0,0,0,0|1,0,0]=3 3264 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,1,0,0,0,0|1,0,0]=3 3265 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,1,0,0,0,0|1,0,0]=3 3266 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,1,0,0,0,0|0,0,0]=2 3267 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,1,0,0,0,0|0,0,0]=2 3268 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,1,0,0,0,0|0,0,0]=2 3269 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,1,0,0,0,0|0,0,0]=2 3270 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,1,0,0,0,0|1,0,0]=3 3271 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,1,0,0,0,0|1,1,0]=4 3272 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,1,0,0,0,0|1,0,1]=4 3273 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,1,0,0,0,0|0,0,2]=4 3274 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,1,0,0,0,0|0,0,2]=4 3275 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,1,0,0,0,0|1,0,0]=3 3276 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,1,0,0,0,0|1,0,0]=3 3277 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,1,0,0,0,0|1,0,0]=3 3278 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,1,0,0,0,0|1,0,0]=3 3279 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,1,0,0,0,0|1,0,0]=3 3280 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,1,0,0,0,0|1,0,0]=3 3281 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|1,0,0]=3 3282 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|0,0,0]=2 3283 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|0,0,0]=2 3284 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,1,0,0,0,0|2,0,0]=4 3285 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,1,0,0,0,0|2,0,0]=4 3286 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|1,0,0]=3 3287 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|1,1,0]=4 3288 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|1,1,0]=4 3289 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|1,1,0]=4 3290 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|1,1,0]=4 3291 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|1,1,0]=4 3292 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [1,1,0,0,0,0|1,0,1]=4 3293 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [1,1,0,0,0,0|1,0,1]=4 3294 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,1,0,0,0,0|0,0,2]=4 3295 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,1,0,0,0,0|0,0,2]=4 3296 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,1,0,0,0,0|1,0,0]=3 3297 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,1,0,0,0,0|1,0,0]=3 3298 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,1,0,0,0,0|1,0,0]=3 3299 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,1,0,0,0,0|1,0,0]=3 3300 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,1,0,0,0,0|0,0,0]=2 3301 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,1,0,0,0,0|0,0,0]=2 3302 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,1,0,0,0,0|1,0,0]=3 3303 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,1,0,0,0,0|1,0,0]=3 3304 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,1,0,0,0,0|1,1,0]=4 3305 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,1,0,0,0,0|1,1,0]=4 3306 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,1,0,0,0,0|1,0,0]=3 3307 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,1,0,0,0,0|1,0,0]=3 3308 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,1,0,0,0,0|1,0,0]=3 3309 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,1,0,0,0,0|1,1,0]=4 3310 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,1,0,0,0,0|1,0,0]=3 3311 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,1,0,0,0,0|1,0,0]=3 3312 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,1,0,0,0,0|1,0,0]=3 3313 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,1,0,0,0,0|1,0,0]=3 3314 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,1,0,0,0,0|1,0,0]=3 3315 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,1,0,0,0,0|0,0,0]=2 3316 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,1,0,0,0,0|2,0,0]=4 3317 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,1,0,0,0,0|2,0,0]=4 3318 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,1,0,0,0,0|2,0,0]=4 3319 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,1,0,0,0,0|2,0,0]=4 3320 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,1,0,0,0,0|2,0,0]=4 3321 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,1,0,0,0,0|2,0,0]=4 3322 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,1,0,0,0,0|2,0,0]=4 3323 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,1,0,0,0,0|1,0,0]=3 3324 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,1,0,0,0,0|1,0,0]=3 3325 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,1,0,0,0,0|1,0,0]=3 3326 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,1,0,0,0,0|1,0,0]=3 3327 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,1,0,0,0,0|1,0,0]=3 3328 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,1,0,0,0,0|1,0,0]=3 3329 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,1,0,0,0,0|1,0,0]=3 3330 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,1,0,0,0,0|1,0,0]=3 3331 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,1,0,0,0,0|1,1,0]=4 3332 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,1,0,0,0,0|1,1,0]=4 3333 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,1,0,0,0,0|1,1,0]=4 3334 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,1,0,0,0,0|1,1,0]=4 3335 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,1,0,0,0,0|1,1,0]=4 3336 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,1,0,0,0,0|1,1,0]=4 3337 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,1,0,0,0,0|1,1,0]=4 3338 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [1,1,0,0,0,0|1,0,1]=4 3339 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [1,1,0,0,0,0|1,0,1]=4 3340 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,1,0,0,0,0|1,0,0]=3 3341 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,1,0,0,0,0|1,0,0]=3 3342 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,1,0,0,0,0|0,0,0]=2 3343 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,1,0,0,0,0|0,0,0]=2 3344 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,1,0,0,0,0|2,0,0]=4 3345 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,1,0,0,0,0|2,0,0]=4 3346 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,1,0,0,0,0|1,0,0]=3 3347 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,1,0,0,0,0|1,0,0]=3 3348 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,1,0,0,0,0|1,0,0]=3 3349 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,1,0,0,0,0|1,0,0]=3 3350 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,1,0,0,0,0|1,0,0]=3 3351 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,1,0,0,0,0|1,0,0]=3 3352 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,1,0,0,0,0|1,1,0]=4 3353 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,1,0,0,0,0|1,1,0]=4 3354 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,1,0,0,0,0|2,0,0]=4 3355 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,1,0,0,0,0|2,0,0]=4 3356 B7R0.1 CCNCC#CCO 2230a_100015525214_200000047223 [1,1,0,0,0,0|0,0,2]=4 3357 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,1,0,0,0,0|1,0,1]=4 3358 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,1,0,0,0,0|0,0,2]=4 3359 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,1,0,0,0,0|1,0,0]=3 3360 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,1,0,0,0,0|0,0,0]=2 3361 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,1,0,0,0,0|0,0,0]=2 3362 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,1,0,0,0,0|0,0,0]=2 3363 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,1,0,0,0,0|1,0,0]=3 3364 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,1,0,0,0,0|1,0,0]=3 3365 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,1,0,0,0,0|1,1,0]=4 3366 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,1,0,0,0,0|2,0,0]=4 3367 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,1,0,0,0,0|2,0,0]=4 3368 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,1,0,0,0,0|2,0,0]=4 3369 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,1,0,0,0,0|2,0,0]=4 3370 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,1,0,0,0,0|2,0,0]=4 3371 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [1,1,0,0,0,0|0,0,2]=4 3372 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,1,0,0,0,0|1,0,0]=3 3373 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,1,0,0,0,0|1,0,0]=3 3374 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,1,0,0,0,0|1,0,0]=3 3375 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,1,0,0,0,0|1,0,0]=3 3376 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,1,0,0,0,0|1,0,0]=3 3377 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,1,0,0,0,0|1,0,0]=3 3378 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,1,0,0,0,0|1,0,0]=3 3379 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,1,0,0,0,0|1,0,0]=3 3380 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|0,0,0]=2 3381 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|2,0,0]=4 3382 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|2,0,0]=4 3383 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|2,0,0]=4 3384 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|2,0,0]=4 3385 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|2,0,0]=4 3386 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|2,0,0]=4 3387 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|2,0,0]=4 3388 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|2,0,0]=4 3389 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|1,0,0]=3 3390 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|1,0,0]=3 3391 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|1,0,0]=3 3392 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|1,0,0]=3 3393 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|1,0,0]=3 3394 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|1,0,0]=3 3395 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|1,0,0]=3 3396 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|1,1,0]=4 3397 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|1,1,0]=4 3398 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|1,1,0]=4 3399 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|1,1,0]=4 3400 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|1,1,0]=4 3401 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|1,1,0]=4 3402 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,1,0,0,0,0|2,0,0]=4 3403 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,1,0,0,0,0|2,0,0]=4 3404 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,1,0,0,0,0|2,0,0]=4 3405 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,1,0,0,0,0|2,0,0]=4 3406 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,1,0,0,0,0|2,0,0]=4 3407 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,1,0,0,0,0|2,0,0]=4 3408 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3409 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|2,0,0]=4 3410 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|2,0,0]=4 3411 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|2,0,0]=4 3412 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3413 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,1,0,0,0,0|2,0,0]=4 3414 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,1,0,0,0,0|2,0,0]=4 3415 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [1,1,0,0,0,0|2,0,0]=4 3416 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [1,1,0,0,0,0|2,0,0]=4 3417 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,1,0,0,0,0|1,0,0]=3 3418 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,1,0,0,0,0|1,0,0]=3 3419 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [1,1,0,0,0,0|2,0,0]=4 3420 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [1,1,0,0,0,0|2,0,0]=4 3421 B7R0.1 CCSCC#CCO 62a_100000210202_200000047223 [1,1,0,0,0,0|0,0,2]=4 3422 B7R0.1 CCSCC#CCO 62a_200000047223_100000210202 [1,1,0,0,0,0|0,0,2]=4 3423 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,1,0,0,0,0|1,0,1]=4 3424 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,1,0,0,0,0|1,0,1]=4 3425 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,1,0,0,0,0|0,0,2]=4 3426 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,1,0,0,0,0|0,0,2]=4 3427 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,1,0,0,0,0|1,0,0]=3 3428 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,1,0,0,0,0|1,0,0]=3 3429 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,1,0,0,0,0|0,0,0]=2 3430 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,1,0,0,0,0|0,0,0]=2 3431 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,1,0,0,0,0|1,0,0]=3 3432 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,1,0,0,0,0|1,0,0]=3 3433 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,1,0,0,0,0|1,0,0]=3 3434 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,1,0,0,0,0|1,0,0]=3 3435 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,1,0,0,0,0|1,0,0]=3 3436 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,1,0,0,0,0|1,0,0]=3 3437 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,1,0,0,0,0|2,0,0]=4 3438 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,1,0,0,0,0|2,0,0]=4 3439 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,1,0,0,0,0|2,0,0]=4 3440 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,1,0,0,0,0|2,0,0]=4 3441 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [1,1,0,0,0,0|2,0,0]=4 3442 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [1,1,0,0,0,0|2,0,0]=4 3443 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,1,0,0,0,0|1,0,1]=4 3444 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,1,0,0,0,0|1,0,1]=4 3445 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,1,0,0,0,0|0,0,2]=4 3446 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,1,0,0,0,0|0,0,2]=4 3447 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,1,0,0,0,0|1,0,0]=3 3448 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,1,0,0,0,0|1,0,0]=3 3449 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,1,0,0,0,0|1,0,0]=3 3450 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,1,0,0,0,0|0,0,0]=2 3451 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,1,0,0,0,0|0,0,0]=2 3452 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,1,0,0,0,0|0,0,0]=2 3453 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,1,0,0,0,0|0,0,0]=2 3454 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,1,0,0,0,0|0,0,0]=2 3455 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,1,0,0,0,0|1,0,0]=3 3456 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,1,0,0,0,0|1,0,0]=3 3457 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,1,0,0,0,0|1,0,0]=3 3458 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,1,0,0,0,0|2,0,0]=4 3459 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,1,0,0,0,0|1,0,0]=3 3460 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,1,0,0,0,0|1,0,0]=3 3461 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,1,0,0,0,0|1,0,0]=3 3462 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,1,0,0,0,0|1,0,0]=3 3463 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,1,0,0,0,0|1,0,0]=3 3464 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,1,0,0,0,0|1,0,0]=3 3465 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [1,1,0,0,0,0|2,0,0]=4 3466 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,1,0,0,0,0|1,0,0]=3 3467 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,1,0,0,0,0|1,0,0]=3 3468 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,1,0,0,0,0|1,0,0]=3 3469 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,1,0,0,0,0|1,0,0]=3 3470 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,1,0,0,0,0|1,0,0]=3 3471 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,1,0,0,0,0|1,0,0]=3 3472 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,1,0,0,0,0|1,0,0]=3 3473 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,1,0,0,0,0|1,0,0]=3 3474 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,1,0,0,0,0|0,0,0]=2 3475 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,1,0,0,0,0|1,0,0]=3 3476 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,1,0,0,0,0|1,0,0]=3 3477 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,1,0,0,0,0|1,0,0]=3 3478 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,1,0,0,0,0|1,0,0]=3 3479 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,1,0,0,0,0|1,0,0]=3 3480 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,1,0,0,0,0|1,0,0]=3 3481 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,1,0,0,0,0|1,0,0]=3 3482 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,1,0,0,0,0|1,0,0]=3 3483 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,1,0,0,0,0|1,0,0]=3 3484 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,1,0,0,0,0|2,0,0]=4 3485 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,1,0,0,0,0|2,0,0]=4 3486 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,1,0,0,0,0|2,0,0]=4 3487 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,1,0,0,0,0|2,0,0]=4 3488 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [1,1,0,0,0,0|2,0,0]=4 3489 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [1,1,0,0,0,0|2,0,0]=4 3490 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,1,0,0,0,0|1,0,0]=3 3491 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,1,0,0,0,0|1,0,0]=3 3492 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,1,0,0,0,0|1,0,0]=3 3493 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [1,1,0,0,0,0|2,0,0]=4 3494 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [1,1,0,0,0,0|2,0,0]=4 3495 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [1,1,0,0,0,0|2,0,0]=4 3496 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [1,1,0,0,0,0|2,0,0]=4 3497 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [1,1,0,0,0,0|2,0,0]=4 3498 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 3499 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 3500 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [1,1,0,0,0,0|2,0,0]=4 3501 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [1,1,0,0,0,0|2,0,0]=4 3502 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [1,1,0,0,0,0|2,0,0]=4 3503 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,1,0,0,0,0|2,0,0]=4 3504 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,1,0,0,0,0|2,0,0]=4 3505 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [1,1,0,0,0,0|2,0,0]=4 3506 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 3507 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,1,0,0,0,0|1,0,0]=3 3508 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,1,0,0,0,0|1,0,0]=3 3509 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [1,1,0,0,0,0|2,0,0]=4 3510 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [1,1,0,0,0,0|2,0,0]=4 3511 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [1,1,0,0,0,0|2,0,0]=4 3512 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [1,1,0,0,0,0|2,0,0]=4 3513 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [1,1,0,0,0,0|2,0,0]=4 3514 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [1,1,0,0,0,0|2,0,0]=4 3515 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [1,1,0,0,0,0|2,0,0]=4 3516 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,1,0,0,0,0|1,0,0]=3 3517 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,1,0,0,0,0|1,0,0]=3 3518 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [1,1,0,0,0,0|2,0,0]=4 3519 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [1,1,0,0,0,0|2,0,0]=4 3520 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [1,1,0,0,0,0|2,0,0]=4 3521 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [1,1,0,0,0,0|2,0,0]=4 3522 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [1,1,0,0,0,0|2,0,0]=4 3523 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [1,1,0,0,0,0|2,0,0]=4 3524 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [1,1,0,0,0,0|2,0,0]=4 3525 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [1,1,0,0,0,0|2,0,0]=4 3526 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,1,0,0,0,0|1,0,0]=3 3527 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,1,0,0,0,0|1,0,0]=3 3528 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [1,1,0,0,0,0|2,0,0]=4 3529 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [1,1,0,0,0,0|2,0,0]=4 3530 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,1,0,0,0,0|1,0,1]=4 3531 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,1,0,0,0,0|1,0,1]=4 3532 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,1,0,0,0,0|0,0,2]=4 3533 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,1,0,0,0,0|0,0,2]=4 3534 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,1,0,0,0,0|1,0,0]=3 3535 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,1,0,0,0,0|1,0,0]=3 3536 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,1,0,0,0,0|0,0,0]=2 3537 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,1,0,0,0,0|0,0,0]=2 3538 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,1,0,0,0,0|1,0,0]=3 3539 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,1,0,0,0,0|1,0,0]=3 3540 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,1,0,0,0,0|2,0,0]=4 3541 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,1,0,0,0,0|2,0,0]=4 3542 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [1,1,0,0,0,0|2,0,0]=4 3543 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [1,1,0,0,0,0|2,0,0]=4 3544 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,1,0,0,0,0|1,0,0]=3 3545 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,1,0,0,0,0|1,0,0]=3 3546 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,1,0,0,0,0|1,0,0]=3 3547 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [1,1,0,0,0,0|2,0,0]=4 3548 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [1,1,0,0,0,0|2,0,0]=4 3549 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [1,1,0,0,0,0|2,0,0]=4 3550 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [1,1,0,0,0,0|2,0,0]=4 3551 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,1,0,0,0,0|1,0,0]=3 3552 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,1,0,0,0,0|1,0,0]=3 3553 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,1,0,0,0,0|1,0,0]=3 3554 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,1,0,0,0,0|1,0,0]=3 3555 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [1,1,0,0,0,0|2,0,0]=4 3556 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [1,1,0,0,0,0|2,0,0]=4 3557 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,1,0,0,0,0|1,0,0]=3 3558 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,1,0,0,0,0|1,0,0]=3 3559 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [1,1,0,0,0,0|2,0,0]=4 3560 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [1,1,0,0,0,0|2,0,0]=4 3561 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [1,1,0,0,0,0|2,0,0]=4 3562 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [1,1,0,0,0,0|2,0,0]=4 3563 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [1,1,0,0,0,0|2,0,0]=4 3564 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [1,1,0,0,0,0|2,0,0]=4 3565 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [1,1,0,0,0,0|2,0,0]=4 3566 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [1,1,0,0,0,0|2,0,0]=4 3567 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [1,1,0,0,0,0|2,0,0]=4 3568 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,1,0,0,0,0|1,0,0]=3 3569 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,1,0,0,0,0|1,0,0]=3 3570 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,1,0,0,0,0|2,0,0]=4 3571 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,1,0,0,0,0|2,0,0]=4 3572 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [1,1,0,0,0,0|2,0,0]=4 3573 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [1,1,0,0,0,0|2,0,0]=4 3574 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [1,1,0,0,0,0|2,0,0]=4 3575 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [1,1,0,0,0,0|2,0,0]=4 3576 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [1,1,0,0,0,0|2,0,0]=4 3577 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,1,0,0,0,0|2,0,0]=4 3578 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,1,0,0,0,0|2,0,0]=4 3579 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [1,1,0,0,0,0|2,0,0]=4 3580 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [1,1,0,0,0,0|2,0,0]=4 3581 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,1,0,0,0,0|2,0,0]=4 3582 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,1,0,0,0,0|2,0,0]=4 3583 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,1,0,0,0,0|2,0,0]=4 3584 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 3585 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,1,0,0,0,0|2,0,0]=4 3586 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,1,0,0,0,0|2,0,0]=4 3587 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [1,1,0,0,0,0|1,0,1]=4 3588 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [1,1,0,0,0,0|1,0,1]=4 3589 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [1,1,0,0,0,0|1,0,1]=4 3590 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [1,1,0,0,0,0|1,0,1]=4 3591 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [1,1,0,0,0,0|1,0,1]=4 3592 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,1,0,0,0,0|2,0,0]=4 3593 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,1,0,0,0,0|2,0,0]=4 3594 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,1,0,0,0,0|1,0,0]=3 3595 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,1,0,0,0,0|2,0,0]=4 3596 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,1,0,0,0,0|1,0,0]=3 3597 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [1,1,0,0,0,0|2,0,0]=4 3598 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [1,1,0,0,0,0|2,0,0]=4 3599 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,1,0,0,0,0|1,0,1]=4 3600 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,1,0,0,0,0|1,0,1]=4 3601 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,1,0,0,0,0|1,0,0]=3 3602 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,1,0,0,0,0|1,0,0]=3 3603 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,1,0,0,0,0|1,0,0]=3 3604 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,1,0,0,0,0|1,0,0]=3 3605 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,1,0,0,0,0|1,0,0]=3 3606 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,1,0,0,0,0|1,0,0]=3 3607 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,1,0,0,0,0|1,0,0]=3 3608 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,1,0,0,0,0|1,0,0]=3 3609 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,1,0,0,0,0|1,0,0]=3 3610 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,1,0,0,0,0|1,0,0]=3 3611 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,1,0,0,0,0|1,0,0]=3 3612 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,1,0,0,0,0|1,0,0]=3 3613 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,1,0,0,0,0|1,0,0]=3 3614 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,1,0,0,0,0|1,0,0]=3 3615 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,1,0,0,0,0|1,0,0]=3 3616 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,1,0,0,0,0|1,0,0]=3 3617 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,1,0,0,0,0|1,0,0]=3 3618 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,1,0,0,0,0|1,0,0]=3 3619 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,1,0,0,0,0|1,0,0]=3 3620 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,1,0,0,0,0|1,0,0]=3 3621 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,1,0,0,0,0|0,0,0]=2 3622 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,1,0,0,0,0|0,0,0]=2 3623 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,1,0,0,0,0|1,0,0]=3 3624 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,1,0,0,0,0|1,0,0]=3 3625 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,1,0,0,0,0|1,0,0]=3 3626 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,1,0,0,0,0|1,0,0]=3 3627 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,1,0,0,0,0|1,0,0]=3 3628 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,1,0,0,0,0|1,0,0]=3 3629 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,1,0,0,0,0|1,0,0]=3 3630 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,1,0,0,0,0|1,0,0]=3 3631 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,1,0,0,0,0|1,0,0]=3 3632 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,1,0,0,0,0|1,0,0]=3 3633 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [1,1,0,0,0,0|2,0,0]=4 3634 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [1,1,0,0,0,0|2,0,0]=4 3635 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 3636 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 3637 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [1,1,0,0,0,0|2,0,0]=4 3638 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [1,1,0,0,0,0|2,0,0]=4 3639 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,1,0,0,0,0|2,0,0]=4 3640 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,1,0,0,0,0|2,0,0]=4 3641 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 3642 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,1,0,0,0,0|1,0,1]=4 3643 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,1,0,0,0,0|1,0,1]=4 3644 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,1,0,0,0,0|0,0,2]=4 3645 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,1,0,0,0,0|0,0,2]=4 3646 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,1,0,0,0,0|1,0,0]=3 3647 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,1,0,0,0,0|1,0,0]=3 3648 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,1,0,0,0,0|0,0,0]=2 3649 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,1,0,0,0,0|0,0,0]=2 3650 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,1,0,0,0,0|1,0,0]=3 3651 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,1,0,0,0,0|1,0,0]=3 3652 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,2,0,0,0,0|0,0,2]=4 3653 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,2,0,0,0,0|0,0,2]=4 3654 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [0,2,0,0,0,0|2,0,0]=4 3655 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [0,2,0,0,0,0|2,0,0]=4 3656 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [0,2,0,0,0,0|2,0,0]=4 3657 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,2,0,0,0,0|2,0,0]=4 3658 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,2,0,0,0,0|2,0,0]=4 3659 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,2,0,0,0,0|2,0,0]=4 3660 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [0,2,0,0,0,0|2,0,0]=4 3661 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [0,2,0,0,0,0|2,0,0]=4 3662 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,2,0,0,0,0|2,0,0]=4 3663 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,2,0,0,0,0|2,0,0]=4 3664 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,2,0,0,0,0|2,0,0]=4 3665 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,2,0,0,0,0|2,0,0]=4 3666 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,2,0,0,0,0|2,0,0]=4 3667 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,2,0,0,0,0|2,0,0]=4 3668 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,2,0,0,0,0|2,0,0]=4 3669 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,2,0,0,0,0|1,0,0]=3 3670 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,2,0,0,0,0|2,0,0]=4 3671 B9R0.5 C#CCC(C)OCCCC 34a_100000685586_100000210210 [0,2,0,0,0,0|2,0,0]=4 3672 B9R0.5 C#CCC(C)OCCCC 7a_100000685586_100000210211 [0,2,0,0,0,0|2,0,0]=4 3673 B9R0.5 C#CCNCC(O)COC 2230a_100000756049_100000038162 [0,2,0,0,0,0|0,0,2]=4 3674 B9R0.5 C#CCNCC(O)COC 34a_100000212058_100011215053 [0,2,0,0,0,0|0,0,2]=4 3675 B9R0.5 C#CCNCC(O)COC 34a_100000756049_100000184674 [0,2,0,0,0,0|0,0,2]=4 3676 B9R0.5 C#CCOCC(O)COC 34a_100000210247_100011215053 [0,2,0,0,0,0|0,0,2]=4 3677 B9R0.5 C#CCSCC(O)COC 62a_100000038162_100011215053 [0,2,0,0,0,0|0,0,2]=4 3678 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [0,2,0,0,0,0|2,0,0]=4 3679 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [0,2,0,0,0,0|2,0,0]=4 3680 B9R0.5 C=CCNCC(O)COC 2230a_100000756049_100000210623 [0,2,0,0,0,0|0,0,2]=4 3681 B9R0.5 C=CCNCC(O)COC 34a_100000756049_100015514636 [0,2,0,0,0,0|0,0,2]=4 3682 B9R0.5 C=CCOCC(O)COC 34a_200000210373_100011215053 [0,2,0,0,0,0|0,0,2]=4 3683 B9R0.5 C=CCSCC(O)COC 62a_100000210623_100011215053 [0,2,0,0,0,0|0,0,2]=4 3684 B9R0.5 C=CCSCC(O)COC 62a_100011215053_100000210623 [0,2,0,0,0,0|0,0,2]=4 3685 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [0,2,0,0,0,0|2,0,0]=4 3686 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [0,2,0,0,0,0|2,0,0]=4 3687 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [0,2,0,0,0,0|2,0,0]=4 3688 B9R0.5 CC(CCO)NCCCF 2230a_100015189416_100009893172 [0,2,0,0,0,0|2,0,0]=4 3689 B9R0.5 CC(CCO)NCCCF 34a_100015189416_100009893172 [0,2,0,0,0,0|2,0,0]=4 3690 B9R0.5 CC(CCO)OCCCBr 34a_100011217188_100009893172 [0,2,0,0,0,0|2,0,0]=4 3691 B9R0.5 CC(CCO)OCCCCl 34a_100000230001_100009893172 [0,2,0,0,0,0|2,0,0]=4 3692 B9R0.5 CC(CCO)OCCCF 34a_100000759539_100009893172 [0,2,0,0,0,0|2,0,0]=4 3693 B9R0.5 CC(CCO)OCCCN 34a_100000182051_100009893172 [0,2,0,0,0,0|2,0,0]=4 3694 B9R0.5 CC(CCO)SCCCF 62a_100009893172_100011934791 [0,2,0,0,0,0|2,0,0]=4 3695 B9R0.5 CC(CCO)SCCCF 62a_100011934791_100009893172 [0,2,0,0,0,0|2,0,0]=4 3696 B9R0.5 CC(CCO)SCCCO 62a_100009893172_100011215043 [0,2,0,0,0,0|2,0,0]=4 3697 B9R0.5 CC(CCO)SCCCO 62a_100011215043_100009893172 [0,2,0,0,0,0|2,0,0]=4 3698 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 3699 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 3700 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 3701 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 3702 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,2,0,0,0,0|2,0,0]=4 3703 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,2,0,0,0,0|2,0,0]=4 3704 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,2,0,0,0,0|0,0,2]=4 3705 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,2,0,0,0,0|0,0,2]=4 3706 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,2,0,0,0,0|0,0,2]=4 3707 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,2,0,0,0,0|0,0,2]=4 3708 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,2,0,0,0,0|2,0,0]=4 3709 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,2,0,0,0,0|2,0,0]=4 3710 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,2,0,0,0,0|2,0,0]=4 3711 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,2,0,0,0,0|2,0,0]=4 3712 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,2,0,0,0,0|2,0,0]=4 3713 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,2,0,0,0,0|2,0,0]=4 3714 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,2,0,0,0,0|2,0,0]=4 3715 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,2,0,0,0,0|2,0,0]=4 3716 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,2,0,0,0,0|2,0,0]=4 3717 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,2,0,0,0,0|2,0,0]=4 3718 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [0,2,0,0,0,0|2,0,0]=4 3719 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [0,2,0,0,0,0|2,0,0]=4 3720 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [0,2,0,0,0,0|2,0,0]=4 3721 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [0,2,0,0,0,0|2,0,0]=4 3722 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [0,2,0,0,0,0|2,0,0]=4 3723 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [0,2,0,0,0,0|2,0,0]=4 3724 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [0,2,0,0,0,0|2,0,0]=4 3725 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [0,2,0,0,0,0|2,0,0]=4 3726 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,2,0,0,0,0|2,0,0]=4 3727 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,2,0,0,0,0|2,0,0]=4 3728 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [0,2,0,0,0,0|2,0,0]=4 3729 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [0,2,0,0,0,0|2,0,0]=4 3730 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,2,0,0,0,0|0,0,2]=4 3731 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,2,0,0,0,0|0,0,2]=4 3732 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,2,0,0,0,0|0,0,2]=4 3733 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,2,0,0,0,0|0,0,2]=4 3734 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,2,0,0,0,0|0,0,2]=4 3735 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,2,0,0,0,0|0,0,2]=4 3736 B9R0.5 CCCCNC(C)CC#N 2230a_100000102301_100009813641 [0,2,0,0,0,0|2,0,0]=4 3737 B9R0.5 CCCCNC(C)CC#N 7a_106832991798_100009813641 [0,2,0,0,0,0|2,0,0]=4 3738 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,2,0,0,0,0|2,0,0]=4 3739 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,2,0,0,0,0|2,0,0]=4 3740 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,2,0,0,0,0|2,0,0]=4 3741 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,2,0,0,0,0|2,0,0]=4 3742 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [0,2,0,0,0,0|1,0,0]=3 3743 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [0,2,0,0,0,0|1,0,0]=3 3744 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [0,2,0,0,0,0|1,0,0]=3 3745 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [0,2,0,0,0,0|1,0,0]=3 3746 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [0,2,0,0,0,0|1,0,0]=3 3747 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [0,2,0,0,0,0|1,1,0]=4 3748 B9R0.5 CCCCN[C@@H](C)CC#N 2230a_100016994482_100000210211 [0,2,0,0,0,0|2,0,0]=4 3749 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [0,2,0,0,0,0|1,0,0]=3 3750 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [0,2,0,0,0,0|1,0,0]=3 3751 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [0,2,0,0,0,0|1,0,0]=3 3752 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|0,0,2]=4 3753 B9R0.5 CCCCOC(C)CC#N 7a_100000210227_100009813641 [0,2,0,0,0,0|2,0,0]=4 3754 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,2,0,0,0,0|2,0,0]=4 3755 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,2,0,0,0,0|2,0,0]=4 3756 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,2,0,0,0,0|2,0,0]=4 3757 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,2,0,0,0,0|2,0,0]=4 3758 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,2,0,0,0,0|2,0,0]=4 3759 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,2,0,0,0,0|1,0,0]=3 3760 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,2,0,0,0,0|1,0,0]=3 3761 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,2,0,0,0,0|1,0,0]=3 3762 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,2,0,0,0,0|1,0,0]=3 3763 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,2,0,0,0,0|1,0,0]=3 3764 B9R0.5 CCCCSC(C)CC#N 62a_100000210211_100009813641 [0,2,0,0,0,0|2,0,0]=4 3765 B9R0.5 CCCCSC(C)CC#N 62a_100009813641_100000210210 [0,2,0,0,0,0|2,0,0]=4 3766 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,2,0,0,0,0|2,0,0]=4 3767 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,2,0,0,0,0|2,0,0]=4 3768 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [0,2,0,0,0,0|1,0,0]=3 3769 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [0,2,0,0,0,0|1,0,0]=3 3770 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,2,0,0,0,0|1,0,0]=3 3771 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,2,0,0,0,0|1,0,0]=3 3772 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,2,0,0,0,0|2,0,0]=4 3773 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,2,0,0,0,0|0,0,0]=2 3774 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,2,0,0,0,0|0,0,0]=2 3775 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|0,0,2]=4 3776 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,2,0,0,0,0|0,0,2]=4 3777 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,2,0,0,0,0|2,0,0]=4 3778 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,2,0,0,0,0|2,0,0]=4 3779 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,2,0,0,0,0|2,0,0]=4 3780 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [0,2,0,0,0,0|2,0,0]=4 3781 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,2,0,0,0,0|1,0,0]=3 3782 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,2,0,0,0,0|0,0,0]=2 3783 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,2,0,0,0,0|2,0,0]=4 3784 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|0,0,2]=4 3785 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,2,0,0,0,0|0,0,2]=4 3786 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,2,0,0,0,0|0,0,2]=4 3787 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,2,0,0,0,0|2,0,0]=4 3788 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,2,0,0,0,0|2,0,0]=4 3789 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [0,2,0,0,0,0|2,0,0]=4 3790 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,2,0,0,0,0|0,0,0]=2 3791 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,2,0,0,0,0|0,0,0]=2 3792 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000001066_100000210303 [0,2,0,0,0,0|1,0,0]=3 3793 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000210303_100000001066 [0,2,0,0,0,0|1,0,0]=3 3794 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,2,0,0,0,0|2,0,0]=4 3795 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,2,0,0,0,0|2,0,0]=4 3796 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,2,0,0,0,0|2,0,0]=4 3797 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,2,0,0,0,0|2,0,0]=4 3798 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,2,0,0,0,0|2,0,0]=4 3799 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,2,0,0,0,0|0,0,2]=4 3800 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,2,0,0,0,0|0,0,2]=4 3801 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,2,0,0,0,0|0,0,2]=4 3802 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [0,2,0,0,0,0|2,0,0]=4 3803 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [0,2,0,0,0,0|2,0,0]=4 3804 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [0,2,0,0,0,0|2,0,0]=4 3805 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [0,2,0,0,0,0|2,0,0]=4 3806 B9R0.5 CCOCSC(C)COC 62a_100000739092_100000765312 [0,2,0,0,0,0|2,0,0]=4 3807 B9R0.5 CCOCSC(C)COC 62a_100000765312_100000739092 [0,2,0,0,0,0|2,0,0]=4 3808 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,2,0,0,0,0|0,0,2]=4 3809 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,2,0,0,0,0|0,0,2]=4 3810 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,2,0,0,0,0|0,0,2]=4 3811 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [0,2,0,0,0,0|2,0,0]=4 3812 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [0,2,0,0,0,0|2,0,0]=4 3813 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [0,2,0,0,0,0|2,0,0]=4 3814 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [0,2,0,0,0,0|2,0,0]=4 3815 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [0,2,0,0,0,0|2,0,0]=4 3816 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [0,2,0,0,0,0|2,0,0]=4 3817 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [0,2,0,0,0,0|2,0,0]=4 3818 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [0,2,0,0,0,0|2,0,0]=4 3819 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,2,0,0,0,0|0,0,2]=4 3820 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,2,0,0,0,0|0,0,2]=4 3821 B9R0.5 COCC(C)NCCCF 2230a_100015189416_100000765312 [0,2,0,0,0,0|2,0,0]=4 3822 B9R0.5 COCC(C)NCCCF 270004a_100015189416_100000749346 [0,2,0,0,0,0|2,0,0]=4 3823 B9R0.5 COCC(C)NCCCF 34a_100015189416_100000765312 [0,2,0,0,0,0|2,0,0]=4 3824 B9R0.5 COCC(C)NCCCO 270004a_100000182051_100000749346 [0,2,0,0,0,0|2,0,0]=4 3825 B9R0.5 COCC(C)NCCSC 2230a_100020590264_100000765312 [0,2,0,0,0,0|2,0,0]=4 3826 B9R0.5 COCC(C)NCCSC 270004a_100020590264_100000749346 [0,2,0,0,0,0|2,0,0]=4 3827 B9R0.5 COCC(C)OCCCBr 34a_100011217188_100000765312 [0,2,0,0,0,0|2,0,0]=4 3828 B9R0.5 COCC(C)OCCCCl 34a_100000230001_100000765312 [0,2,0,0,0,0|2,0,0]=4 3829 B9R0.5 COCC(C)OCCCF 34a_100000759539_100000765312 [0,2,0,0,0,0|2,0,0]=4 3830 B9R0.5 COCC(C)OCCCN 34a_100000182051_100000765312 [0,2,0,0,0,0|2,0,0]=4 3831 B9R0.5 COCC(C)OCCSC 34a_100000230434_100000765312 [0,2,0,0,0,0|2,0,0]=4 3832 B9R0.5 COCC(C)OCCSC 7a_100000230434_100000765312 [0,2,0,0,0,0|2,0,0]=4 3833 B9R0.5 COCC(C)SCCCF 62a_100000765312_100011934791 [0,2,0,0,0,0|2,0,0]=4 3834 B9R0.5 COCC(C)SCCCF 62a_100011934791_100000765312 [0,2,0,0,0,0|2,0,0]=4 3835 B9R0.5 COCC(C)SCCCO 62a_100000765312_100011215043 [0,2,0,0,0,0|2,0,0]=4 3836 B9R0.5 COCC(C)SCCCO 62a_100011215043_100000765312 [0,2,0,0,0,0|2,0,0]=4 3837 B9R0.5 COCC(C)SCCSC 62a_100000212216_100000765312 [0,2,0,0,0,0|2,0,0]=4 3838 B9R0.5 COCC(C)SCCSC 62a_100000765312_100000751147 [0,2,0,0,0,0|2,0,0]=4 3839 B9R0.5 COCC(N)COCCF 34a_100000724102_100011217306 [0,2,0,0,0,0|2,0,0]=4 3840 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [0,2,0,0,0,0|2,0,0]=4 3841 B9R0.5 COCC(N)COCSC 34a_100000724102_100011218213 [0,2,0,0,0,0|2,0,0]=4 3842 B9R0.5 COCC(O)CNCC#N 2230a_100000756049_100011215382 [0,2,0,0,0,0|1,0,1]=4 3843 B9R0.5 COCC(O)CNCC=O 2230a_100000756049_200015260668 [0,2,0,0,0,0|1,0,1]=4 3844 B9R0.5 COCC(O)CNCC=O 34a_100000756049_200009817547 [0,2,0,0,0,0|1,0,1]=4 3845 B9R0.5 COCC(O)CNCCF 2230a_100000756049_100011217306 [0,2,0,0,0,0|1,0,0]=3 3846 B9R0.5 COCC(O)CNCCF 34a_100000724931_100011215053 [0,2,0,0,0,0|1,0,0]=3 3847 B9R0.5 COCC(O)CNCCF 34a_100000756049_100011217306 [0,2,0,0,0,0|1,0,0]=3 3848 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [0,2,0,0,0,0|1,0,0]=3 3849 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [0,2,0,0,0,0|1,0,0]=3 3850 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [0,2,0,0,0,0|1,0,0]=3 3851 B9R0.5 COCC(O)CNCSC 2230a_100000756049_100011218213 [0,2,0,0,0,0|1,0,0]=3 3852 B9R0.5 COCC(O)CNCSC 34a_100000756049_100011218213 [0,2,0,0,0,0|1,0,0]=3 3853 B9R0.5 COCC(O)COCCBr 34a_100000211926_100011215053 [0,2,0,0,0,0|1,0,0]=3 3854 B9R0.5 COCC(O)COCCN 34a_100000210304_100011215053 [0,2,0,0,0,0|1,0,0]=3 3855 B9R0.5 COCC(O)CSCC#N 62a_100011215053_100011215382 [0,2,0,0,0,0|1,0,1]=4 3856 B9R0.5 COCC(O)CSCC#N 62a_100011215382_100011215053 [0,2,0,0,0,0|1,0,1]=4 3857 B9R0.5 COCC(O)CSCC=O 62a_100011215053_200015260668 [0,2,0,0,0,0|1,0,1]=4 3858 B9R0.5 COCC(O)CSCC=O 62a_200015260668_100011215053 [0,2,0,0,0,0|1,0,1]=4 3859 B9R0.5 COCC(O)CSCCF 62a_100011215053_100011217306 [0,2,0,0,0,0|1,0,0]=3 3860 B9R0.5 COCC(O)CSCCF 62a_100011217306_100011215053 [0,2,0,0,0,0|1,0,0]=3 3861 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [0,2,0,0,0,0|1,0,0]=3 3862 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [0,2,0,0,0,0|1,0,0]=3 3863 B9R0.5 COCC(O)CSCSC 62a_100011215053_100011218213 [0,2,0,0,0,0|1,0,0]=3 3864 B9R0.5 COCC(O)CSCSC 62a_100011218213_100011215053 [0,2,0,0,0,0|1,0,0]=3 3865 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,2,0,0,0,0|0,0,2]=4 3866 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,2,0,0,0,0|0,0,2]=4 3867 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,2,0,0,0,0|0,0,2]=4 3868 B9R0.5 COCCCC(C)OCF 34a_200011539412_100015361967 [0,2,0,0,0,0|2,0,0]=4 3869 B9R0.5 COCCCC(C)OCF 7a_200011539412_100015361967 [0,2,0,0,0,0|2,0,0]=4 3870 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [0,2,0,0,0,0|2,0,0]=4 3871 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [0,2,0,0,0,0|2,0,0]=4 3872 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [0,2,0,0,0,0|2,0,0]=4 3873 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [0,2,0,0,0,0|2,0,0]=4 3874 B9R0.5 COCCCN(C)COC 2230a_100000224831_100000766300 [0,2,0,0,0,0|2,0,0]=4 3875 B9R0.5 COCCCN(C)COC 269982a_100000224831_100000766300 [0,2,0,0,0,0|2,0,0]=4 3876 B9R0.5 COCCNC(C)CCO 2230a_100000209980_100009893172 [0,2,0,0,0,0|2,0,0]=4 3877 B9R0.5 COCCNC(C)COC 2230a_100000209980_100000765312 [0,2,0,0,0,0|2,0,0]=4 3878 B9R0.5 COCCNC(C)COC 270004a_100000209980_100000749346 [0,2,0,0,0,0|2,0,0]=4 3879 B9R0.5 COCCN[C@H](C)CCO 2230a_100000706166_100011201679 [0,2,0,0,0,0|2,0,0]=4 3880 B9R0.5 COCCN[C@H](C)CCO 34a_100000706166_100011201679 [0,2,0,0,0,0|2,0,0]=4 3881 B9R0.5 COCCN[C@H](C)COC 2230a_100000764878_100011201679 [0,2,0,0,0,0|2,0,0]=4 3882 B9R0.5 COCCOC(C)CCO 34a_100000210237_100009893172 [0,2,0,0,0,0|2,0,0]=4 3883 B9R0.5 COCCOC(C)COC 34a_100000210237_100000765312 [0,2,0,0,0,0|2,0,0]=4 3884 B9R0.5 COCCO[C@H](C)COC 34a_100011934205_100011201679 [0,2,0,0,0,0|2,0,0]=4 3885 B9R0.5 COCCSC(C)CCO 62a_100000233755_100009893172 [0,2,0,0,0,0|2,0,0]=4 3886 B9R0.5 COCCSC(C)CCO 62a_100009893172_100000233755 [0,2,0,0,0,0|2,0,0]=4 3887 B9R0.5 COCCSC(C)COC 62a_100000233755_100000765312 [0,2,0,0,0,0|2,0,0]=4 3888 B9R0.5 COCCSC(C)COC 62a_100000765312_100000233755 [0,2,0,0,0,0|2,0,0]=4 3889 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [0,2,0,0,0,0|2,0,0]=4 3890 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [0,2,0,0,0,0|2,0,0]=4 3891 B9R0.5 COCNCC(O)COC 2230a_100000756049_100000766300 [0,2,0,0,0,0|1,0,0]=3 3892 B9R0.5 COCSCC(O)COC 62a_100000766300_100011215053 [0,2,0,0,0,0|1,0,0]=3 3893 B9R0.5 COCSCC(O)COC 62a_100011215053_100000766300 [0,2,0,0,0,0|1,0,0]=3 3894 B9R0.5 COCSC[C@@H](O)CC#N 62a_100000001066_100000766300 [0,2,0,0,0,0|2,0,0]=4 3895 B9R0.5 COCSC[C@@H](O)CC#N 62a_100000766300_100000001066 [0,2,0,0,0,0|2,0,0]=4 3896 B9R0.5 COC[C@@H](C)NCCCF 2230a_100000764878_100011934791 [0,2,0,0,0,0|2,0,0]=4 3897 B9R0.5 COC[C@@H](C)NCCCO 2230a_100000764878_100000230001 [0,2,0,0,0,0|2,0,0]=4 3898 B9R0.5 COC[C@@H](C)NCCSC 2230a_100000764878_100000751147 [0,2,0,0,0,0|2,0,0]=4 3899 B9R0.5 COC[C@@H](C)OCCCF 34a_100011934205_100011934791 [0,2,0,0,0,0|2,0,0]=4 3900 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [0,2,0,0,0,0|2,0,0]=4 3901 B9R0.5 COC[C@@H](C)OCCSC 34a_100011934205_100000212216 [0,2,0,0,0,0|2,0,0]=4 3902 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [0,2,0,0,0,0|1,0,0]=3 3903 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,2,0,0,0,0|0,0,2]=4 3904 B9R0.5 CSCCNC(C)CCO 2230a_100020590264_100009893172 [0,2,0,0,0,0|2,0,0]=4 3905 B9R0.5 CSCCN[C@H](C)CCO 2230a_100000706166_100000751147 [0,2,0,0,0,0|2,0,0]=4 3906 B9R0.5 CSCCN[C@H](C)CCO 34a_100000706166_100000212216 [0,2,0,0,0,0|2,0,0]=4 3907 B9R0.5 CSCCOC(C)CCO 34a_100000230434_100009893172 [0,2,0,0,0,0|2,0,0]=4 3908 B9R0.5 CSCCOC(C)CCO 7a_100000230434_100009893172 [0,2,0,0,0,0|2,0,0]=4 3909 B9R0.5 CSCCSC(C)CCO 62a_100000212216_100009893172 [0,2,0,0,0,0|2,0,0]=4 3910 B9R0.5 CSCCSC(C)CCO 62a_100009893172_100000751147 [0,2,0,0,0,0|2,0,0]=4 3911 B9R0.5 CSCSC[C@@H](O)CC#N 62a_100000001066_100011218213 [0,2,0,0,0,0|2,0,0]=4 3912 B9R0.5 CSCSC[C@@H](O)CC#N 62a_100011218213_100000001066 [0,2,0,0,0,0|2,0,0]=4 3913 B9R0.5 C[C@H](CCO)NCCCF 2230a_100000706166_100011934791 [0,2,0,0,0,0|2,0,0]=4 3914 B9R0.5 C[C@H](CCO)NCCCF 34a_100000706166_100011934791 [0,2,0,0,0,0|2,0,0]=4 3915 B9R0.5 C[C@H](CCO)NCCCO 2230a_100000706166_100000230001 [0,2,0,0,0,0|2,0,0]=4 3916 B9R0.5 C[C@H](CCO)NCCCO 34a_100000706166_100000230001 [0,2,0,0,0,0|2,0,0]=4 3917 B9R0.5 N#CC[C@H](O)CNCCO 2230a_100016997473_100000001066 [0,2,0,0,0,0|2,0,0]=4 3918 B9R0.5 N#CC[C@H](O)CSCCF 62a_100000001066_100011217306 [0,2,0,0,0,0|2,0,0]=4 3919 B9R0.5 N#CC[C@H](O)CSCCF 62a_100011217306_100000001066 [0,2,0,0,0,0|2,0,0]=4 3920 B9R0.5 N#CC[C@H](O)CSCCO 62a_100000001066_100000211926 [0,2,0,0,0,0|2,0,0]=4 3921 B9R0.5 N#CC[C@H](O)CSCCO 62a_100000211926_100000001066 [0,2,0,0,0,0|2,0,0]=4 3922 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,2,0,0,0,0|0,0,2]=4 3923 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,2,0,0,0,0|0,0,2]=4 3924 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,2,0,0,0,0|0,0,2]=4 3925 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [0,2,0,0,0,0|1,0,0]=3 3926 B9R0.8 C#CCCC(=O)C(O)CO 1458a_100011215603_100000753159 [0,2,0,0,0,0|0,0,2]=4 3927 B9R0.8 C/C=C/CC(=O)C(O)CO 1458a_100011215603_100102629194 [0,2,0,0,0,0|0,0,2]=4 3928 B9R0.8 C=CCCC(=O)C(O)CO 1458a_100011215603_100000754431 [0,2,0,0,0,0|0,0,2]=4 3929 B9R0.8 CC#CCC(=O)C(O)CO 1458a_100011215603_100000748600 [0,2,0,0,0,0|0,0,2]=4 3930 B9R0.8 CC(CO)N(C)CCCF 2230a_100000693034_100011934791 [0,2,0,0,0,0|2,0,0]=4 3931 B9R0.8 CC(CO)N(C)CCCF 269982a_100000693034_100011934791 [0,2,0,0,0,0|2,0,0]=4 3932 B9R0.8 CC(CO)N(C)CCCO 2230a_100000213112_100012180447 [0,2,0,0,0,0|2,0,0]=4 3933 B9R0.8 CC(CO)N(C)CCCO 2230a_100000693034_100000230001 [0,2,0,0,0,0|2,0,0]=4 3934 B9R0.8 CC(CO)N(C)CCCO 269982a_100000693034_100011215043 [0,2,0,0,0,0|2,0,0]=4 3935 B9R0.8 CC=CCC(=O)C(O)CO 1458a_100011215603_100000070051 [0,2,0,0,0,0|0,0,2]=4 3936 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,2,0,0,0,0|2,0,0]=4 3937 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,2,0,0,0,0|1,0,1]=4 3938 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,2,0,0,0,0|1,0,1]=4 3939 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,2,0,0,0,0|1,0,1]=4 3940 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,2,0,0,0,0|1,0,1]=4 3941 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,2,0,0,0,0|2,0,0]=4 3942 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,2,0,0,0,0|2,0,0]=4 3943 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,2,0,0,0,0|0,0,2]=4 3944 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,2,0,0,0,0|1,0,0]=3 3945 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,2,0,0,0,0|0,0,0]=2 3946 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,2,0,0,0,0|2,0,0]=4 3947 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,2,0,0,0,0|2,0,0]=4 3948 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,2,0,0,0,0|2,0,0]=4 3949 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,2,0,0,0,0|1,0,0]=3 3950 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [0,2,0,0,0,0|2,0,0]=4 3951 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [0,2,0,0,0,0|2,0,0]=4 3952 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,2,0,0,0,0|1,0,0]=3 3953 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,2,0,0,0,0|1,0,0]=3 3954 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,2,0,0,0,0|0,0,2]=4 3955 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,2,0,0,0,0|0,0,2]=4 3956 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,2,0,0,0,0|0,0,2]=4 3957 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,2,0,0,0,0|0,0,2]=4 3958 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207357_200000210301 [0,2,0,0,0,0|2,0,0]=4 3959 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207549_100000758301 [0,2,0,0,0,0|2,0,0]=4 3960 B9R0.8 CCCCN(C)C(C)CC 2230a_100000741768_100000210211 [0,2,0,0,0,0|2,0,0]=4 3961 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207357_200000210301 [0,2,0,0,0,0|2,0,0]=4 3962 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207549_100000758301 [0,2,0,0,0,0|2,0,0]=4 3963 B9R0.8 CCCCN(C)C(C)CC 269982a_100000741768_100000210211 [0,2,0,0,0,0|2,0,0]=4 3964 B9R0.8 CCCCN(C)C(C)CO 2230a_100000207549_100012180447 [0,2,0,0,0,0|1,0,0]=3 3965 B9R0.8 CCCCN(C)C(C)CO 2230a_100000693034_100000210211 [0,2,0,0,0,0|1,0,0]=3 3966 B9R0.8 CCCCN(C)C(C)CO 269982a_100000693034_100000210211 [0,2,0,0,0,0|1,0,0]=3 3967 B9R0.8 CCCCN(C)C(C)OC 269982a_100000207549_100009879195 [0,2,0,0,0,0|2,0,0]=4 3968 B9R0.8 CCCCN(C)[C@H](C)CO 269982a_100000207549_100016084084 [0,2,0,0,0,0|1,0,0]=3 3969 B9R0.8 CCCCN([13CH3])C(C)CC 2230a_100000207357_200025704644 [0,2,0,0,0,0|2,0,0]=4 3970 B9R0.8 CCCCN([13CH3])C(C)CC 269982a_100000207357_200025704644 [0,2,0,0,0,0|2,0,0]=4 3971 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,2,0,0,0,0|1,0,1]=4 3972 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,2,0,0,0,0|0,0,1]=3 3973 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [0,2,0,0,0,0|2,0,0]=4 3974 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [0,2,0,0,0,0|2,0,0]=4 3975 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,2,0,0,0,0|2,0,0]=4 3976 B9R0.8 CCNNC(=O)C(O)CO 22a_100000756455_100011215603 [0,2,0,0,0,0|1,0,1]=4 3977 B9R0.8 CCOCN(C)C(C)CO 269982a_100000693034_100000739092 [0,2,0,0,0,0|2,0,0]=4 3978 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,2,0,0,0,0|0,0,1]=3 3979 B9R0.8 COCCN(C)C(C)CO 2230a_100000693034_100011201679 [0,2,0,0,0,0|2,0,0]=4 3980 B9R0.8 COCCN(C)C(C)CO 2230a_100000743101_100012180447 [0,2,0,0,0,0|2,0,0]=4 3981 B9R0.8 COCCN(C)C(C)CO 269982a_100000693034_100000233755 [0,2,0,0,0,0|2,0,0]=4 3982 B9R0.8 COCCN(C)[C@H](C)CO 269982a_100000743101_100016084084 [0,2,0,0,0,0|2,0,0]=4 3983 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,2,0,0,0,0|0,0,1]=3 3984 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,2,0,0,0,0|2,0,0]=4 3985 B9R0.8 CSCCN(C)C(C)CO 2230a_100000686725_100012180447 [0,2,0,0,0,0|2,0,0]=4 3986 B9R0.8 CSCCN(C)C(C)CO 2230a_100000693034_100000751147 [0,2,0,0,0,0|2,0,0]=4 3987 B9R0.8 CSCCN(C)C(C)CO 269982a_100000693034_100000212216 [0,2,0,0,0,0|2,0,0]=4 3988 B9R0.8 CSCCN(C)[C@H](C)CO 269982a_100000686725_100016084084 [0,2,0,0,0,0|2,0,0]=4 3989 B9R0.8 C[C@H](CO)N(C)CCCO 269982a_100000213112_100016084084 [0,2,0,0,0,0|2,0,0]=4 3990 B9R0.8 N#CCCC(=O)C(O)CO 1458a_100011215603_100011215226 [0,2,0,0,0,0|0,0,2]=4 3991 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,2,0,0,0,0|0,0,1]=3 3992 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,2,0,0,0,0|0,0,1]=3 3993 B9R0.8 O=C(NCCF)C(O)CO 240690a_100000724931_100011215603 [0,2,0,0,0,0|1,0,1]=4 3994 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [0,2,0,0,0,0|1,0,1]=4 3995 B9R0.18 C#CCNC(C)CCCC 2230a_100000126638_100000038162 [0,2,0,0,0,0|2,0,0]=4 3996 B9R0.18 C#CCNC(C)CCCC 34a_100000212058_200011215066 [0,2,0,0,0,0|2,0,0]=4 3997 B9R0.18 C#CCOC(C)CCCC 34a_100000210247_200011215066 [0,2,0,0,0,0|2,0,0]=4 3998 B9R0.18 C#CCOC(C)CCCC 34a_100000687866_100000184674 [0,2,0,0,0,0|2,0,0]=4 3999 B9R0.18 C#CCOC(C)CCCC 7a_100000687866_100000038162 [0,2,0,0,0,0|2,0,0]=4 4000 B9R0.18 C#CCSC(C)CCCC 62a_100000038162_200011215066 [0,2,0,0,0,0|2,0,0]=4 4001 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [0,2,0,0,0,0|2,0,0]=4 4002 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [0,2,0,0,0,0|2,0,0]=4 4003 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [0,2,0,0,0,0|2,0,0]=4 4004 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [0,2,0,0,0,0|2,0,0]=4 4005 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [0,2,0,0,0,0|2,0,0]=4 4006 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [0,2,0,0,0,0|2,0,0]=4 4007 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [0,2,0,0,0,0|2,0,0]=4 4008 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [0,2,0,0,0,0|2,0,0]=4 4009 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [0,2,0,0,0,0|2,0,0]=4 4010 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [0,2,0,0,0,0|2,0,0]=4 4011 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [0,2,0,0,0,0|0,0,2]=4 4012 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,2,0,0,0,0|0,0,2]=4 4013 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,2,0,0,0,0|0,0,2]=4 4014 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,2,0,0,0,0|0,0,2]=4 4015 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,2,0,0,0,0|0,0,2]=4 4016 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,2,0,0,0,0|0,0,2]=4 4017 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,2,0,0,0,0|0,0,2]=4 4018 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,2,0,0,0,0|1,0,0]=3 4019 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,2,0,0,0,0|1,0,0]=3 4020 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [0,2,0,0,0,0|1,0,0]=3 4021 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [0,2,0,0,0,0|1,0,0]=3 4022 B9R0.18 CCCCC(C)NCC#N 2230a_100000126638_100011215382 [0,2,0,0,0,0|2,0,0]=4 4023 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [0,2,0,0,0,0|1,0,1]=4 4024 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [0,2,0,0,0,0|2,0,0]=4 4025 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [0,2,0,0,0,0|2,0,0]=4 4026 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [0,2,0,0,0,0|2,0,0]=4 4027 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [0,2,0,0,0,0|2,0,0]=4 4028 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [0,2,0,0,0,0|1,0,0]=3 4029 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [0,2,0,0,0,0|1,0,0]=3 4030 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [0,2,0,0,0,0|1,0,0]=3 4031 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [0,2,0,0,0,0|1,0,0]=3 4032 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [0,2,0,0,0,0|1,0,0]=3 4033 B9R0.18 CCCCC(C)NCSC 2230a_100000126638_100011218213 [0,2,0,0,0,0|1,1,0]=4 4034 B9R0.18 CCCCC(C)OCC#N 7a_100000687866_100011215382 [0,2,0,0,0,0|2,0,0]=4 4035 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [0,2,0,0,0,0|1,0,1]=4 4036 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [0,2,0,0,0,0|1,0,1]=4 4037 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,2,0,0,0,0|2,0,0]=4 4038 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,2,0,0,0,0|2,0,0]=4 4039 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,2,0,0,0,0|2,0,0]=4 4040 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,2,0,0,0,0|2,0,0]=4 4041 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,2,0,0,0,0|2,0,0]=4 4042 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,2,0,0,0,0|2,0,0]=4 4043 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,2,0,0,0,0|2,0,0]=4 4044 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,2,0,0,0,0|1,0,0]=3 4045 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,2,0,0,0,0|1,0,0]=3 4046 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [0,2,0,0,0,0|1,1,0]=4 4047 B9R0.18 CCCCC(C)SCC#N 62a_100011215382_200011215066 [0,2,0,0,0,0|2,0,0]=4 4048 B9R0.18 CCCCC(C)SCC#N 62a_200011215066_100011215382 [0,2,0,0,0,0|2,0,0]=4 4049 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [0,2,0,0,0,0|1,0,1]=4 4050 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [0,2,0,0,0,0|1,0,1]=4 4051 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [0,2,0,0,0,0|2,0,0]=4 4052 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [0,2,0,0,0,0|2,0,0]=4 4053 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [0,2,0,0,0,0|2,0,0]=4 4054 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [0,2,0,0,0,0|2,0,0]=4 4055 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [0,2,0,0,0,0|1,0,0]=3 4056 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [0,2,0,0,0,0|1,0,0]=3 4057 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [0,2,0,0,0,0|1,0,0]=3 4058 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [0,2,0,0,0,0|1,0,0]=3 4059 B9R0.18 CCCCC(C)SCSC 62a_100011218213_200011215066 [0,2,0,0,0,0|1,1,0]=4 4060 B9R0.18 CCCCC(C)SCSC 62a_200011215066_100011218213 [0,2,0,0,0,0|1,1,0]=4 4061 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [0,2,0,0,0,0|2,0,0]=4 4062 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [0,2,0,0,0,0|2,0,0]=4 4063 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [0,2,0,0,0,0|2,0,0]=4 4064 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [0,2,0,0,0,0|2,0,0]=4 4065 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [0,2,0,0,0,0|2,0,0]=4 4066 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [0,2,0,0,0,0|2,0,0]=4 4067 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [0,2,0,0,0,0|2,0,0]=4 4068 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [0,2,0,0,0,0|2,0,0]=4 4069 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [0,2,0,0,0,0|2,0,0]=4 4070 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [0,2,0,0,0,0|2,0,0]=4 4071 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [0,2,0,0,0,0|2,0,0]=4 4072 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [0,2,0,0,0,0|2,0,0]=4 4073 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [0,2,0,0,0,0|2,0,0]=4 4074 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,2,0,0,0,0|1,0,0]=3 4075 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [0,2,0,0,0,0|1,0,0]=3 4076 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [0,2,0,0,0,0|2,0,0]=4 4077 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [0,2,0,0,0,0|2,0,0]=4 4078 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [0,2,0,0,0,0|2,0,0]=4 4079 B9R0.18 CCNCC(O)COCC 2230a_102515437182_100000210202 [0,2,0,0,0,0|1,0,0]=3 4080 B9R0.18 CCNCC(O)COCC 34a_102515437182_100000210202 [0,2,0,0,0,0|1,0,0]=3 4081 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [0,2,0,0,0,0|2,0,0]=4 4082 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [0,2,0,0,0,0|2,0,0]=4 4083 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [0,2,0,0,0,0|2,0,0]=4 4084 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [0,2,0,0,0,0|2,0,0]=4 4085 B9R0.18 CCOCC(O)CNCF 34a_102515437182_100015361967 [0,2,0,0,0,0|2,0,0]=4 4086 B9R0.18 CCOC[C@@H](C)OCOC 34a_100016172286_100000210202 [0,2,0,0,0,0|2,0,0]=4 4087 B9R0.18 CCOC[C@@H](C)OCOC 7a_100016172286_100000210202 [0,2,0,0,0,0|2,0,0]=4 4088 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,2,0,0,0,0|2,0,0]=4 4089 B9R0.18 CCSCC(C)NCCO 270004a_100000210304_200011216171 [0,2,0,0,0,0|2,0,0]=4 4090 B9R0.18 COCCC(C)NCCO 270004a_100000210304_100000742357 [0,2,0,0,0,0|2,0,0]=4 4091 B9R0.18 CSCCC(C)NCCO 270004a_100000210304_100011217047 [0,2,0,0,0,0|2,0,0]=4 4092 B9R0.18 CSCC[C@H](N)COCF 34a_100011827619_100015361967 [0,2,0,0,0,0|2,0,0]=4 4093 B9R0.34 C#CCN(C)CC(O)CO 2230a_100000225692_100011219619 [0,2,0,0,0,0|0,0,2]=4 4094 B9R0.34 C#CCN(C)CC(O)CO 2230a_100011216503_100000038162 [0,2,0,0,0,0|0,0,2]=4 4095 B9R0.34 C#CCN(C)CC(O)CO 34a_100000225692_100011219619 [0,2,0,0,0,0|0,0,2]=4 4096 B9R0.34 C#CCN(C)C[C@@H](O)CO 2230a_100000225692_100009815848 [0,2,0,0,0,0|0,0,2]=4 4097 B9R0.34 C#CCN(C)C[C@@H](O)CO 34a_100000225692_100009815848 [0,2,0,0,0,0|0,0,2]=4 4098 B9R0.34 C=CC(O)CN(C)CCC 2230a_100000747261_100000730141 [0,2,0,0,0,0|1,0,1]=4 4099 B9R0.34 C=CCN(C)CC(O)CO 2230a_100000225617_100011219619 [0,2,0,0,0,0|0,0,2]=4 4100 B9R0.34 C=CCN(C)CC(O)CO 2230a_100011216503_100000210623 [0,2,0,0,0,0|0,0,2]=4 4101 B9R0.34 C=CCN(C)CC(O)CO 269982a_100011216503_100000210623 [0,2,0,0,0,0|0,0,2]=4 4102 B9R0.34 C=CCN(C)C[C@@H](O)CO 2230a_100000225617_100009815848 [0,2,0,0,0,0|0,0,2]=4 4103 B9R0.34 CC(CCO)N[C@H](C)CO 2230a_100000737577_100009893172 [0,2,0,0,0,0|2,0,0]=4 4104 B9R0.34 CC(CCO)S[C@H](C)CO 62a_100009893172_100016084084 [0,2,0,0,0,0|2,0,0]=4 4105 B9R0.34 CC(CCO)S[C@H](C)CO 62a_100016084084_100009893172 [0,2,0,0,0,0|2,0,0]=4 4106 B9R0.34 CC(CO)N[C@H](C)CCO 2230a_100000706166_100012180447 [0,2,0,0,0,0|2,0,0]=4 4107 B9R0.34 CC(CO)N[C@H](C)CCO 34a_100000706166_100012180447 [0,2,0,0,0,0|2,0,0]=4 4108 B9R0.34 CC(CO)OC(C)CCBr 34a_100012276601_100012180447 [0,2,0,0,0,0|2,0,0]=4 4109 B9R0.34 CC(CO)SC(C)CCO 62a_100012180447_100009893172 [0,2,0,0,0,0|2,0,0]=4 4110 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [0,2,0,0,0,0|0,0,2]=4 4111 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [0,2,0,0,0,0|0,0,2]=4 4112 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [0,2,0,0,0,0|0,0,2]=4 4113 B9R0.34 CCC(C)CN(C)CCO 2230a_100000210263_100000748023 [0,2,0,0,0,0|2,0,0]=4 4114 B9R0.34 CCC(C)CN(C)CCO 2230a_100000753921_100000211926 [0,2,0,0,0,0|2,0,0]=4 4115 B9R0.34 CCC(C)CN(C)CCO 269982a_100000210263_100000748023 [0,2,0,0,0,0|2,0,0]=4 4116 B9R0.34 CCC(C)CN(C)CCO 269982a_100000753921_100000211926 [0,2,0,0,0,0|2,0,0]=4 4117 B9R0.34 CCC(C)CN(C)CCO 270004a_100000210263_100000243153 [0,2,0,0,0,0|2,0,0]=4 4118 B9R0.34 CCC(C)CN(C)COC 2230a_100000753921_100000766300 [0,2,0,0,0,0|2,0,0]=4 4119 B9R0.34 CCC(C)CN(C)COC 269982a_100000753921_100000766300 [0,2,0,0,0,0|2,0,0]=4 4120 B9R0.34 CCC(C)NC(C)CCO 2230a_100000209981_100009893172 [0,2,0,0,0,0|2,0,0]=4 4121 B9R0.34 CCC(C)NC(C)COC 2230a_100000209981_100000765312 [0,2,0,0,0,0|2,0,0]=4 4122 B9R0.34 CCC(C)NC(C)COC 270004a_100000209981_100000749346 [0,2,0,0,0,0|2,0,0]=4 4123 B9R0.34 CCC(C)N[C@H](C)CCO 2230a_100000706166_100000758301 [0,2,0,0,0,0|2,0,0]=4 4124 B9R0.34 CCC(C)N[C@H](C)CCO 34a_100000706166_100011215416 [0,2,0,0,0,0|2,0,0]=4 4125 B9R0.34 CCC(C)N[C@H](C)COC 2230a_100000764878_100000758301 [0,2,0,0,0,0|2,0,0]=4 4126 B9R0.34 CCC(C)OC(C)CCO 7a_100000210228_100009893172 [0,2,0,0,0,0|2,0,0]=4 4127 B9R0.34 CCC(C)OC(C)COC 7a_100000210228_100000765312 [0,2,0,0,0,0|2,0,0]=4 4128 B9R0.34 CCC(C)O[C@H](C)COC 34a_100011934205_100011215416 [0,2,0,0,0,0|2,0,0]=4 4129 B9R0.34 CCC(C)SC(C)CCO 62a_100000758301_100009893172 [0,2,0,0,0,0|2,0,0]=4 4130 B9R0.34 CCC(C)SC(C)CCO 62a_100009893172_100000758301 [0,2,0,0,0,0|2,0,0]=4 4131 B9R0.34 CCC(C)SC(C)COC 62a_100000758301_100000765312 [0,2,0,0,0,0|2,0,0]=4 4132 B9R0.34 CCC(C)SC(C)COC 62a_100000765312_100000758301 [0,2,0,0,0,0|2,0,0]=4 4133 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [0,2,0,0,0,0|1,0,1]=4 4134 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [0,2,0,0,0,0|0,0,2]=4 4135 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [0,2,0,0,0,0|0,0,2]=4 4136 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [0,2,0,0,0,0|0,0,2]=4 4137 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [0,2,0,0,0,0|1,0,1]=4 4138 B9R0.34 CCC(O)CN(C)CCO 2230a_100000210263_100011218378 [0,2,0,0,0,0|2,0,0]=4 4139 B9R0.34 CCC(O)CN(C)CCO 269982a_100000210263_100011218378 [0,2,0,0,0,0|2,0,0]=4 4140 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|0,0,2]=4 4141 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,2,0,0,0,0|2,0,0]=4 4142 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,2,0,0,0,0|2,0,0]=4 4143 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,2,0,0,0,0|1,0,0]=3 4144 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,2,0,0,0,0|1,0,0]=3 4145 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,2,0,0,0,0|2,0,0]=4 4146 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,2,0,0,0,0|1,0,0]=3 4147 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,2,0,0,0,0|1,0,1]=4 4148 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,2,0,0,0,0|1,0,1]=4 4149 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,2,0,0,0,0|0,0,2]=4 4150 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,2,0,0,0,0|0,0,2]=4 4151 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,2,0,0,0,0|0,0,2]=4 4152 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,2,0,0,0,0|2,0,0]=4 4153 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,2,0,0,0,0|2,0,0]=4 4154 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,2,0,0,0,0|2,0,0]=4 4155 B9R0.34 CCCC(C)NC(C)CO 2230a_100000741246_100012180447 [0,2,0,0,0,0|1,0,0]=3 4156 B9R0.34 CCCC(C)N[C@H](C)CF 270004a_100102880703_100000211909 [0,2,0,0,0,0|2,0,0]=4 4157 B9R0.34 CCCC(C)N[C@H](C)CO 2230a_100000737577_100000766640 [0,2,0,0,0,0|1,0,0]=3 4158 B9R0.34 CCCC(C)N[C@H](C)CO 270004a_100000737577_100000211909 [0,2,0,0,0,0|1,0,0]=3 4159 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,2,0,0,0,0|2,0,0]=4 4160 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,2,0,0,0,0|2,0,0]=4 4161 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,2,0,0,0,0|2,0,0]=4 4162 B9R0.34 CCCC(C)OC(C)CF 34a_100016041109_100000766640 [0,2,0,0,0,0|2,0,0]=4 4163 B9R0.34 CCCC(C)OC(C)CF 7a_100016041109_100000766640 [0,2,0,0,0,0|2,0,0]=4 4164 B9R0.34 CCCC(C)OC(C)CN 34a_100000210904_100000766640 [0,2,0,0,0,0|2,0,0]=4 4165 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [0,2,0,0,0,0|1,0,0]=3 4166 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [0,2,0,0,0,0|1,0,0]=3 4167 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,2,0,0,0,0|2,0,0]=4 4168 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,2,0,0,0,0|2,0,0]=4 4169 B9R0.34 CCCC(C)SC(C)CO 62a_100012180447_100000766640 [0,2,0,0,0,0|1,0,0]=3 4170 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100000766640_100016084084 [0,2,0,0,0,0|1,0,0]=3 4171 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100016084084_100000766640 [0,2,0,0,0,0|1,0,0]=3 4172 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [0,2,0,0,0,0|2,0,0]=4 4173 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [0,2,0,0,0,0|2,0,0]=4 4174 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [0,2,0,0,0,0|2,0,0]=4 4175 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [0,2,0,0,0,0|2,0,0]=4 4176 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [0,2,0,0,0,0|2,0,0]=4 4177 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [0,2,0,0,0,0|1,0,0]=3 4178 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [0,2,0,0,0,0|1,0,0]=3 4179 B9R0.34 CCCN(C)CC(O)CO 2230a_100000747261_100011219619 [0,2,0,0,0,0|0,0,0]=2 4180 B9R0.34 CCCN(C)CC(O)CO 2230a_100011216503_100000210303 [0,2,0,0,0,0|0,0,0]=2 4181 B9R0.34 CCCN(C)CC(O)CO 2230a_200000156893_200000210301 [0,2,0,0,0,0|0,0,0]=2 4182 B9R0.34 CCCN(C)CC(O)CO 269982a_100011216503_100000210303 [0,2,0,0,0,0|0,0,0]=2 4183 B9R0.34 CCCN(C)CC(O)CO 269982a_200000156893_200000210301 [0,2,0,0,0,0|0,0,0]=2 4184 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [0,2,0,0,0,0|2,0,0]=4 4185 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [0,2,0,0,0,0|2,0,0]=4 4186 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [0,2,0,0,0,0|1,0,0]=3 4187 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [0,2,0,0,0,0|1,0,0]=3 4188 B9R0.34 CCCN(C)C[C@@H](O)CF 2230a_100000747261_100015614560 [0,2,0,0,0,0|1,0,0]=3 4189 B9R0.34 CCCN(C)C[C@@H](O)CO 2230a_100000747261_100009815848 [0,2,0,0,0,0|0,0,0]=2 4190 B9R0.34 CCCN([13CH3])CC(O)CO 2230a_200000156893_200025704644 [0,2,0,0,0,0|0,0,0]=2 4191 B9R0.34 CCCN([13CH3])CC(O)CO 269982a_200000156893_200025704644 [0,2,0,0,0,0|0,0,0]=2 4192 B9R0.34 CCN(C)CC(O)COC 2230a_100000739405_100000210202 [0,2,0,0,0,0|1,0,0]=3 4193 B9R0.34 CCN(C)CC(O)COC 269982a_100000739405_100000204670 [0,2,0,0,0,0|1,0,0]=3 4194 B9R0.34 CCN(C)C[C@@H](O)CC#N 2230a_100000225621_100000001066 [0,2,0,0,0,0|2,0,0]=4 4195 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [0,2,0,0,0,0|1,0,1]=4 4196 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [0,2,0,0,0,0|2,0,0]=4 4197 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [0,2,0,0,0,0|2,0,0]=4 4198 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [0,2,0,0,0,0|0,0,2]=4 4199 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [0,2,0,0,0,0|0,0,2]=4 4200 B9R0.34 CC[C@H](C)CN(C)CCO 2230a_100000210263_100009816398 [0,2,0,0,0,0|2,0,0]=4 4201 B9R0.34 CC[C@H](C)CN(C)CCO 269982a_100000210263_100009816398 [0,2,0,0,0,0|2,0,0]=4 4202 B9R0.34 CN(CC#N)CC(O)CO 2230a_100000748184_100011219619 [0,2,0,0,0,0|1,0,1]=4 4203 B9R0.34 CN(CC#N)CC(O)CO 2230a_100011216503_100011215382 [0,2,0,0,0,0|1,0,1]=4 4204 B9R0.34 CN(CC#N)CC(O)CO 269982a_100011216503_100011214920 [0,2,0,0,0,0|1,0,1]=4 4205 B9R0.34 CN(CC#N)C[C@@H](O)CO 2230a_100000748184_100009815848 [0,2,0,0,0,0|1,0,1]=4 4206 B9R0.34 CN(CC=O)CC(O)CO 2230a_100011216503_200015260668 [0,2,0,0,0,0|1,0,1]=4 4207 B9R0.34 CN(CC=O)CC(O)CO 269982a_100011216503_200015260668 [0,2,0,0,0,0|1,0,1]=4 4208 B9R0.34 CN(CCF)CC(O)CO 2230a_100011216503_100011217306 [0,2,0,0,0,0|1,0,0]=3 4209 B9R0.34 CN(CCF)CC(O)CO 269982a_100011216503_100011217306 [0,2,0,0,0,0|1,0,0]=3 4210 B9R0.34 CN(CCO)CC(O)CO 2230a_100000210263_100011219619 [0,2,0,0,0,0|1,0,0]=3 4211 B9R0.34 CN(CCO)CC(O)CO 2230a_100011216503_100000211926 [0,2,0,0,0,0|1,0,0]=3 4212 B9R0.34 CN(CCO)CC(O)CO 269982a_100011216503_100000211926 [0,2,0,0,0,0|1,0,0]=3 4213 B9R0.34 CN(CCO)C[C@@H](O)CF 2230a_100000210263_100015614560 [0,2,0,0,0,0|2,0,0]=4 4214 B9R0.34 CN(CCO)C[C@@H](O)CO 2230a_100000210263_100009815848 [0,2,0,0,0,0|1,0,0]=3 4215 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,2,0,0,0,0|1,0,1]=4 4216 B9R0.34 COCC(C)N[C@H](C)CO 2230a_100000737577_100000765312 [0,2,0,0,0,0|2,0,0]=4 4217 B9R0.34 COCC(C)N[C@H](C)CO 270004a_100000737577_100000749346 [0,2,0,0,0,0|2,0,0]=4 4218 B9R0.34 COCC(C)SC(C)CO 62a_100012180447_100000765312 [0,2,0,0,0,0|2,0,0]=4 4219 B9R0.34 COCC(C)S[C@H](C)CO 62a_100000765312_100016084084 [0,2,0,0,0,0|2,0,0]=4 4220 B9R0.34 COCC(C)S[C@H](C)CO 62a_100016084084_100000765312 [0,2,0,0,0,0|2,0,0]=4 4221 B9R0.34 COCC(O)CN(C)CF 269982a_100000739405_100015361967 [0,2,0,0,0,0|2,0,0]=4 4222 B9R0.34 COCN(C)CC(O)CO 2230a_100011216503_100000766300 [0,2,0,0,0,0|1,0,0]=3 4223 B9R0.34 COCN(C)CC(O)CO 269982a_100011216503_100000766300 [0,2,0,0,0,0|1,0,0]=3 4224 B9R0.34 COC[C@@H](C)NC(C)CO 2230a_100000764878_100012180447 [0,2,0,0,0,0|2,0,0]=4 4225 B9R0.34 COC[C@@H](C)OC(C)CO 34a_100011934205_100012180447 [0,2,0,0,0,0|2,0,0]=4 4226 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,2,0,0,0,0|1,0,1]=4 4227 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,2,0,0,0,0|1,0,1]=4 4228 B9R0.34 CSCC(C)N[C@H](C)CO 270004a_100000737577_100011216314 [0,2,0,0,0,0|2,0,0]=4 4229 B9R0.34 CSCN(C)CC(O)CO 2230a_100011216503_100011218213 [0,2,0,0,0,0|1,0,0]=3 4230 B9R0.34 CSCN(C)CC(O)CO 269982a_100011216503_100011218213 [0,2,0,0,0,0|1,0,0]=3 4231 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,2,0,0,0,0|1,0,1]=4 4232 B9R0.34 C[C@@H](CO)CN(C)CCO 2230a_100000210263_100000059175 [0,2,0,0,0,0|2,0,0]=4 4233 B9R0.34 C[C@@H](CO)CN(C)CCO 269982a_100000210263_100000059175 [0,2,0,0,0,0|2,0,0]=4 4234 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|1,0,1]=4 4235 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,2,0,0,0,0|1,0,1]=4 4236 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,2,0,0,0,0|1,0,1]=4 4237 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|1,0,1]=4 4238 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,2,0,0,0,0|0,0,2]=4 4239 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,2,0,0,0,0|0,0,2]=4 4240 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,2,0,0,0,0|0,0,2]=4 4241 B9R0.35 CCCC(C)C(C)NCC 270004a_100015525214_100011216282 [0,2,0,0,0,0|2,0,0]=4 4242 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,2,0,0,0,0|2,0,0]=4 4243 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,2,0,0,0,0|2,0,0]=4 4244 B9R0.35 CCCC(C)C(C)OCF 34a_100000708338_100015361967 [0,2,0,0,0,0|2,0,0]=4 4245 B9R0.35 CCCC(C)C(C)OCF 7a_100000708338_100015361967 [0,2,0,0,0,0|2,0,0]=4 4246 B9R0.35 CCCC(C)N(C)CCO 2230a_100000210263_100000766640 [0,2,0,0,0,0|2,0,0]=4 4247 B9R0.35 CCCC(C)N(C)CCO 269982a_100000210263_100000766640 [0,2,0,0,0,0|2,0,0]=4 4248 B9R0.35 CCCC(C)N(C)CCO 270004a_100000210263_100000211909 [0,2,0,0,0,0|2,0,0]=4 4249 B9R0.35 CCCN(C)C(C)CCO 2230a_100000731037_100000210303 [0,2,0,0,0,0|2,0,0]=4 4250 B9R0.35 CCCN(C)C(C)CCO 2230a_100000747261_100009893172 [0,2,0,0,0,0|2,0,0]=4 4251 B9R0.35 CCCN(C)C(C)CCO 269982a_100000731037_100000210303 [0,2,0,0,0,0|2,0,0]=4 4252 B9R0.35 CCCN(C)C(C)CCO 269982a_100000747261_100009893172 [0,2,0,0,0,0|2,0,0]=4 4253 B9R0.35 CCCN(C)C(C)COC 2230a_100000747261_100000765312 [0,2,0,0,0,0|2,0,0]=4 4254 B9R0.35 CCCN(C)C(C)COC 269982a_100000747261_100000765312 [0,2,0,0,0,0|2,0,0]=4 4255 B9R0.35 CCCN(C)C(C)COC 270004a_100000747261_100000749346 [0,2,0,0,0,0|2,0,0]=4 4256 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,2,0,0,0,0|0,0,2]=4 4257 B9R0.40 C#CC(CCCC)OCC 34a_200011217967_100000210202 [0,2,0,0,0,0|1,0,1]=4 4258 B9R0.40 C#CC(CCCC)OCC 7a_200011217967_100000210202 [0,2,0,0,0,0|1,0,1]=4 4259 B9R0.40 C#CC(CCCC)OCF 34a_200011217967_100015361967 [0,2,0,0,0,0|1,0,1]=4 4260 B9R0.40 C#CC(CCCC)OCF 7a_200011217967_100015361967 [0,2,0,0,0,0|1,0,1]=4 4261 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [0,2,0,0,0,0|1,0,1]=4 4262 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [0,2,0,0,0,0|1,0,1]=4 4263 B9R0.40 C=CC(CCCC)OCF 34a_200011215037_100015361967 [0,2,0,0,0,0|1,0,1]=4 4264 B9R0.40 C=CC(CCCC)OCF 7a_200011215037_100015361967 [0,2,0,0,0,0|1,0,1]=4 4265 B9R0.40 C=CCC(CCCC)OC 34a_200011216941_200000210301 [0,2,0,0,0,0|1,0,0]=3 4266 B9R0.40 C=CCC(CCCC)OC 7a_200011216941_200000210301 [0,2,0,0,0,0|1,0,0]=3 4267 B9R0.40 C=CCC(CCCC)O[13CH3] 34a_200011216941_200025704644 [0,2,0,0,0,0|1,0,0]=3 4268 B9R0.40 C=CCC(CCCC)O[13CH3] 7a_200011216941_200025704644 [0,2,0,0,0,0|1,0,0]=3 4269 B9R0.40 C=CC[C@H](CO)NCCC 2230a_100020615467_100000210303 [0,2,0,0,0,0|2,0,0]=4 4270 B9R0.40 CCCCC(CC)CNC 2230a_100000209976_200000210301 [0,2,0,0,0,0|2,0,0]=4 4271 B9R0.40 CCCCC(CC)CNC 2230a_106832991635_100000211942 [0,2,0,0,0,0|2,0,0]=4 4272 B9R0.40 CCCCC(CC)CNC 269862a_106832991636_100011219736 [0,2,0,0,0,0|2,0,0]=4 4273 B9R0.40 CCCCC(CC)CNC 270004a_106832991635_100011219736 [0,2,0,0,0,0|2,0,0]=4 4274 B9R0.40 CCCCC(CC)CNC 34a_100102657272_100000211942 [0,2,0,0,0,0|2,0,0]=4 4275 B9R0.40 CCCCC(CC)CNC 7a_106832991635_100000211942 [0,2,0,0,0,0|2,0,0]=4 4276 B9R0.40 CCCCC(CC)CN[13CH3] 2230a_100000209976_200025704644 [0,2,0,0,0,0|2,0,0]=4 4277 B9R0.40 CCCCC(CC)COC 34a_100000210273_200000210301 [0,2,0,0,0,0|1,0,0]=3 4278 B9R0.40 CCCCC(CC)COC 34a_100138415774_100000211942 [0,2,0,0,0,0|1,0,0]=3 4279 B9R0.40 CCCCC(CC)COC 7a_100000210273_200000210301 [0,2,0,0,0,0|1,0,0]=3 4280 B9R0.40 CCCCC(CC)CO[13CH3] 34a_100000210273_200025704644 [0,2,0,0,0,0|1,0,0]=3 4281 B9R0.40 CCCCC(CC)CO[13CH3] 7a_100000210273_200025704644 [0,2,0,0,0,0|1,0,0]=3 4282 B9R0.40 CCCCC(CC)CSC 62a_100000211942_200000210301 [0,2,0,0,0,0|1,1,0]=4 4283 B9R0.40 CCCCC(CC)CSC 62a_200000210301_100000211942 [0,2,0,0,0,0|1,1,0]=4 4284 B9R0.40 CCCCC(CC)CS[13CH3] 62a_100000211942_200025704644 [0,2,0,0,0,0|1,1,0]=4 4285 B9R0.40 CCCCC(CC)CS[13CH3] 62a_200025704644_100000211942 [0,2,0,0,0,0|1,1,0]=4 4286 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [0,2,0,0,0,0|2,0,0]=4 4287 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [0,2,0,0,0,0|1,0,0]=3 4288 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [0,2,0,0,0,0|1,0,0]=3 4289 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [0,2,0,0,0,0|1,0,0]=3 4290 B9R0.40 CCCCC(CC)OCF 34a_100011215227_100015361967 [0,2,0,0,0,0|1,0,0]=3 4291 B9R0.40 CCCCC(CC)OCF 7a_100011215227_100015361967 [0,2,0,0,0,0|1,0,0]=3 4292 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [0,2,0,0,0,0|1,1,0]=4 4293 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [0,2,0,0,0,0|1,1,0]=4 4294 B9R0.40 CCCCC(CC)SCF 62a_100015361967_200011216223 [0,2,0,0,0,0|1,1,0]=4 4295 B9R0.40 CCCCC(CC)SCF 62a_200011216223_100015361967 [0,2,0,0,0,0|1,1,0]=4 4296 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [0,2,0,0,0,0|2,0,0]=4 4297 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [0,2,0,0,0,0|2,0,0]=4 4298 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [0,2,0,0,0,0|1,0,0]=3 4299 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [0,2,0,0,0,0|1,0,0]=3 4300 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [0,2,0,0,0,0|1,0,0]=3 4301 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [0,2,0,0,0,0|1,0,0]=3 4302 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [0,2,0,0,0,0|1,0,0]=3 4303 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [0,2,0,0,0,0|1,1,0]=4 4304 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [0,2,0,0,0,0|1,1,0]=4 4305 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [0,2,0,0,0,0|1,1,0]=4 4306 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [0,2,0,0,0,0|1,1,0]=4 4307 B9R0.40 CCCCN(CC)CCO 2230a_100000198060_100000210202 [0,2,0,0,0,0|2,0,0]=4 4308 B9R0.40 CCCCN(CC)CCO 2230a_100000207695_100000211926 [0,2,0,0,0,0|2,0,0]=4 4309 B9R0.40 CCCCN(CC)CCO 2230a_100000210973_100000210211 [0,2,0,0,0,0|2,0,0]=4 4310 B9R0.40 CCCCN(CC)CCO 269982a_100000198060_100000204670 [0,2,0,0,0,0|2,0,0]=4 4311 B9R0.40 CCCCN(CC)CCO 269982a_100000207695_100000211926 [0,2,0,0,0,0|2,0,0]=4 4312 B9R0.40 CCCCN(CC)CCO 269982a_100000210973_100000210211 [0,2,0,0,0,0|2,0,0]=4 4313 B9R0.40 CCCCN(CC)COC 2230a_100000207695_100000766300 [0,2,0,0,0,0|2,0,0]=4 4314 B9R0.40 CCCCN(CC)COC 269982a_100000207695_100000766300 [0,2,0,0,0,0|2,0,0]=4 4315 B9R0.40 CCCCN(CF)CCO 269982a_100000198060_100015361967 [0,2,0,0,0,0|2,0,0]=4 4316 B9R0.40 CCCC[C@@H](CO)NCC 2230a_100011934283_100000210202 [0,2,0,0,0,0|1,0,0]=3 4317 B9R0.40 CCCC[C@@H](CO)NCC 34a_100011934283_100000210202 [0,2,0,0,0,0|1,0,0]=3 4318 B9R0.40 CCCC[C@@H](CO)NCF 34a_100011934283_100015361967 [0,2,0,0,0,0|1,0,0]=3 4319 B9R0.40 CCCNC(CC)COC 2230a_100000757820_100000210303 [0,2,0,0,0,0|2,0,0]=4 4320 B9R0.40 CCCNC(CC)COC 270004a_100020643023_100000757811 [0,2,0,0,0,0|2,0,0]=4 4321 B9R0.40 CCCNC(CO)COC 2230a_100000724102_100000210303 [0,2,0,0,0,0|1,0,0]=3 4322 B9R0.40 CCCNC(CO)COC 34a_100000724102_100000210303 [0,2,0,0,0,0|1,0,0]=3 4323 B9R0.40 CCCN[C@H](CO)CCC 2230a_100000732646_100000210303 [0,2,0,0,0,0|2,0,0]=4 4324 B9R0.40 CCCN[C@H](CO)CCC 34a_100000732646_100000210303 [0,2,0,0,0,0|2,0,0]=4 4325 B9R0.40 CCCOC(CC)COC 7a_200011214946_100000210303 [0,2,0,0,0,0|2,0,0]=4 4326 B9R0.40 CCCOC(CCl)COC 34a_100011215053_100000210303 [0,2,0,0,0,0|2,0,0]=4 4327 B9R0.40 CCCOC(CN)COC 34a_100000756049_100000210303 [0,2,0,0,0,0|2,0,0]=4 4328 B9R0.40 CCNCC(CC)OCC 2230a_100015183923_100000210202 [0,2,0,0,0,0|2,0,0]=4 4329 B9R0.40 CCNCC(CC)OCC 34a_100015183923_100000210202 [0,2,0,0,0,0|2,0,0]=4 4330 B9R0.40 CCN[C@H](CO)CCSC 2230a_100011827619_100000210202 [0,2,0,0,0,0|2,0,0]=4 4331 B9R0.40 CCOCC(CN)OCC 34a_102515437182_100000210202 [0,2,0,0,0,0|2,0,0]=4 4332 B9R0.40 CCOCC(CN)OCF 34a_102515437182_100015361967 [0,2,0,0,0,0|2,0,0]=4 4333 B9R0.40 COCC(CO)NCCF 2230a_100000724102_100011217306 [0,2,0,0,0,0|2,0,0]=4 4334 B9R0.40 COCC(CO)NCCF 34a_100000724102_100011217306 [0,2,0,0,0,0|2,0,0]=4 4335 B9R0.40 COCC(CO)NCCO 2230a_100000724102_100000211926 [0,2,0,0,0,0|2,0,0]=4 4336 B9R0.40 COCC(CO)NCCO 34a_100000724102_100000211926 [0,2,0,0,0,0|2,0,0]=4 4337 B9R0.40 COCC(CO)NCSC 2230a_100000724102_100011218213 [0,2,0,0,0,0|2,0,0]=4 4338 B9R0.40 COCC(CO)NCSC 34a_100000724102_100011218213 [0,2,0,0,0,0|2,0,0]=4 4339 B9R0.40 COCNC(CO)COC 2230a_100000724102_100000766300 [0,2,0,0,0,0|2,0,0]=4 4340 B9R0.48 CC(Br)COC(C)CCO 34a_100012180447_100009893172 [0,2,0,0,0,0|2,0,0]=4 4341 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,2,0,0,0,0|0,0,2]=4 4342 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,2,0,0,0,0|0,0,2]=4 4343 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,2,0,0,0,0|2,0,0]=4 4344 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,2,0,0,0,0|2,0,0]=4 4345 B9R0.48 CC(C)CCC(C)SCF 62a_100011261404_100015361967 [0,2,0,0,0,0|2,0,0]=4 4346 B9R0.48 CC(C)CCC(C)SCF 62a_100015361967_100011261404 [0,2,0,0,0,0|2,0,0]=4 4347 B9R0.48 CC(C)CCN(C)CCO 2230a_100000210263_100000210312 [0,2,0,0,0,0|2,0,0]=4 4348 B9R0.48 CC(C)CCN(C)CCO 2230a_100000742789_100000211926 [0,2,0,0,0,0|2,0,0]=4 4349 B9R0.48 CC(C)CCN(C)CCO 269982a_100000210263_100000210312 [0,2,0,0,0,0|2,0,0]=4 4350 B9R0.48 CC(C)CCN(C)CCO 269982a_100000742789_100000211926 [0,2,0,0,0,0|2,0,0]=4 4351 B9R0.48 CC(C)CNC(C)CCO 2230a_100000210953_100009893172 [0,2,0,0,0,0|2,0,0]=4 4352 B9R0.48 CC(C)CNC(C)CCO 34a_100000210953_100009893172 [0,2,0,0,0,0|2,0,0]=4 4353 B9R0.48 CC(C)CN[C@H](C)CCO 2230a_100000706166_100000210760 [0,2,0,0,0,0|2,0,0]=4 4354 B9R0.48 CC(C)CN[C@H](C)CCO 270004a_100000706166_100000210432 [0,2,0,0,0,0|2,0,0]=4 4355 B9R0.48 CC(C)CN[C@H](C)CCO 34a_100000706166_100000210624 [0,2,0,0,0,0|2,0,0]=4 4356 B9R0.48 CC(C)COC(C)CCO 34a_100000210257_100009893172 [0,2,0,0,0,0|2,0,0]=4 4357 B9R0.48 CC(C)CSC(C)CCO 62a_100000210624_100009893172 [0,2,0,0,0,0|2,0,0]=4 4358 B9R0.48 CC(C)CSC(C)CCO 62a_100009893172_100000210760 [0,2,0,0,0,0|2,0,0]=4 4359 B9R0.48 CC(C)NC[C@@H](O)CC#N 2230a_100138425928_100000001066 [0,2,0,0,0,0|2,0,0]=4 4360 B9R0.48 CC(C)SC[C@@H](O)CC#N 62a_100000001066_100000210206 [0,2,0,0,0,0|2,0,0]=4 4361 B9R0.48 CC(C)SC[C@@H](O)CC#N 62a_100000210206_100000001066 [0,2,0,0,0,0|2,0,0]=4 4362 B9R0.48 CC(CCO)OC[C@@H](C)Cl 34a_100016084084_100009893172 [0,2,0,0,0,0|2,0,0]=4 4363 B9R0.48 CC(CCO)OC[C@@H](C)N 34a_100000737577_100009893172 [0,2,0,0,0,0|2,0,0]=4 4364 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [0,2,0,0,0,0|2,0,0]=4 4365 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [0,2,0,0,0,0|2,0,0]=4 4366 B9R0.48 CC(F)COC(C)CCO 34a_100015925927_100009893172 [0,2,0,0,0,0|2,0,0]=4 4367 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|0,0,2]=4 4368 B9R0.48 CC(O)CCN(C)CCO 2230a_100000210263_100012276601 [0,2,0,0,0,0|2,0,0]=4 4369 B9R0.48 CC(O)CCN(C)CCO 269982a_100000210263_100012276601 [0,2,0,0,0,0|2,0,0]=4 4370 B9R0.48 CC(O)CNC(C)CCO 2230a_100000210904_100009893172 [0,2,0,0,0,0|2,0,0]=4 4371 B9R0.48 CC(O)CNC(C)CCO 34a_100000210904_100009893172 [0,2,0,0,0,0|2,0,0]=4 4372 B9R0.48 CC(O)CN[C@H](C)CCO 2230a_100000706166_100011218427 [0,2,0,0,0,0|2,0,0]=4 4373 B9R0.48 CC(O)CN[C@H](C)CCO 34a_100000706166_100011218427 [0,2,0,0,0,0|2,0,0]=4 4374 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [0,2,0,0,0,0|2,0,0]=4 4375 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [0,2,0,0,0,0|2,0,0]=4 4376 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,2,0,0,0,0|2,0,0]=4 4377 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,2,0,0,0,0|2,0,0]=4 4378 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,2,0,0,0,0|2,0,0]=4 4379 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,2,0,0,0,0|2,0,0]=4 4380 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,2,0,0,0,0|2,0,0]=4 4381 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,2,0,0,0,0|2,0,0]=4 4382 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,2,0,0,0,0|2,0,0]=4 4383 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,2,0,0,0,0|2,0,0]=4 4384 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,2,0,0,0,0|0,0,2]=4 4385 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,2,0,0,0,0|0,0,2]=4 4386 B9R0.48 COCC(C)NCC(C)C 2230a_100000210953_100000765312 [0,2,0,0,0,0|2,0,0]=4 4387 B9R0.48 COCC(C)NCC(C)C 270004a_100000210953_100000749346 [0,2,0,0,0,0|2,0,0]=4 4388 B9R0.48 COCC(C)NCC(C)C 34a_100000210953_100000765312 [0,2,0,0,0,0|2,0,0]=4 4389 B9R0.48 COCC(C)NCC(C)O 2230a_100000210904_100000765312 [0,2,0,0,0,0|2,0,0]=4 4390 B9R0.48 COCC(C)NCC(C)O 270004a_100000210904_100000749346 [0,2,0,0,0,0|2,0,0]=4 4391 B9R0.48 COCC(C)NCC(C)O 34a_100000210904_100000765312 [0,2,0,0,0,0|2,0,0]=4 4392 B9R0.48 COCC(C)OCC(C)Br 34a_100012180447_100000765312 [0,2,0,0,0,0|2,0,0]=4 4393 B9R0.48 COCC(C)OCC(C)C 34a_100000210257_100000765312 [0,2,0,0,0,0|2,0,0]=4 4394 B9R0.48 COCC(C)OCC(C)F 34a_100015925927_100000765312 [0,2,0,0,0,0|2,0,0]=4 4395 B9R0.48 COCC(C)OC[C@@H](C)Cl 34a_100016084084_100000765312 [0,2,0,0,0,0|2,0,0]=4 4396 B9R0.48 COCC(C)OC[C@@H](C)N 34a_100000737577_100000765312 [0,2,0,0,0,0|2,0,0]=4 4397 B9R0.48 COCC(C)SCC(C)C 62a_100000210624_100000765312 [0,2,0,0,0,0|2,0,0]=4 4398 B9R0.48 COCC(C)SCC(C)C 62a_100000765312_100000210760 [0,2,0,0,0,0|2,0,0]=4 4399 B9R0.48 COCC(C)SCC(C)O 62a_100000765312_100011218427 [0,2,0,0,0,0|2,0,0]=4 4400 B9R0.48 COCC(C)SCC(C)O 62a_100011218427_100000765312 [0,2,0,0,0,0|2,0,0]=4 4401 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100000765312_100009817552 [0,2,0,0,0,0|2,0,0]=4 4402 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100009817552_100000765312 [0,2,0,0,0,0|2,0,0]=4 4403 B9R0.48 COCC(N)COC(C)C 34a_100000724102_100000210206 [0,2,0,0,0,0|2,0,0]=4 4404 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,2,0,0,0,0|1,0,1]=4 4405 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,2,0,0,0,0|1,0,1]=4 4406 B9R0.48 COCC(O)CNC(C)C 2230a_100000756049_100000210206 [0,2,0,0,0,0|1,0,0]=3 4407 B9R0.48 COCC(O)CNC(C)C 34a_100000756049_100000210206 [0,2,0,0,0,0|1,0,0]=3 4408 B9R0.48 COCC(O)CNC(C)C 34a_100138425928_100011215053 [0,2,0,0,0,0|1,0,0]=3 4409 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,2,0,0,0,0|1,0,1]=4 4410 B9R0.48 COCC(O)COC(C)C 34a_100000212225_100011215053 [0,2,0,0,0,0|1,0,0]=3 4411 B9R0.48 COCC(O)CSC(C)C 62a_100000210206_100011215053 [0,2,0,0,0,0|1,0,0]=3 4412 B9R0.48 COCC(O)CSC(C)C 62a_100011215053_100000210206 [0,2,0,0,0,0|1,0,0]=3 4413 B9R0.48 COCN(C)CCC(C)C 2230a_100000742789_100000766300 [0,2,0,0,0,0|2,0,0]=4 4414 B9R0.48 COCN(C)CCC(C)C 269982a_100000742789_100000766300 [0,2,0,0,0,0|2,0,0]=4 4415 B9R0.48 COC[C@@H](C)NCC(C)C 2230a_100000764878_100000210760 [0,2,0,0,0,0|2,0,0]=4 4416 B9R0.48 COC[C@@H](C)NCC(C)C 270004a_100000764878_100000210432 [0,2,0,0,0,0|2,0,0]=4 4417 B9R0.48 COC[C@@H](C)NCC(C)O 2230a_100000764878_100011218427 [0,2,0,0,0,0|2,0,0]=4 4418 B9R0.48 COC[C@@H](C)NC[C@@H](C)O 2230a_100000764878_100009817552 [0,2,0,0,0,0|2,0,0]=4 4419 B9R0.48 COC[C@@H](C)OCC(C)C 34a_100011934205_100000210624 [0,2,0,0,0,0|2,0,0]=4 4420 B9R0.48 COC[C@@H](C)OCC(C)O 34a_100011934205_100011218427 [0,2,0,0,0,0|2,0,0]=4 4421 B9R0.48 COC[C@@H](C)OC[C@@H](C)O 34a_100011934205_100009817552 [0,2,0,0,0,0|2,0,0]=4 4422 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 2230a_100000706166_100009817552 [0,2,0,0,0,0|2,0,0]=4 4423 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 34a_100000706166_100009817552 [0,2,0,0,0,0|2,0,0]=4 4424 B9R0.66 CCCCC(C)(C)COC 7a_200011995781_200000210301 [0,2,0,0,0,0|1,0,0]=3 4425 B9R0.66 CCCCC(C)(C)CO[13CH3] 7a_200011995781_200025704644 [0,2,0,0,0,0|1,0,0]=3 4426 B9R0.66 CCCCC(C)(C)OCC 7a_100011219641_100000210202 [0,2,0,0,0,0|2,0,0]=4 4427 B9R0.66 CCCCC(C)(C)OCF 7a_100011219641_100015361967 [0,2,0,0,0,0|2,0,0]=4 4428 B9R0.66 CCCNC(C)(C)COC 2230a_100000752728_100000210303 [0,2,0,0,0,0|2,0,0]=4 4429 B9R0.66 CCNCC(C)(C)COC 2230a_100000734190_100000210202 [0,2,0,0,0,0|2,0,0]=4 4430 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,2,0,0,0,0|1,0,1]=4 4431 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [0,2,0,0,0,0|0,0,2]=4 4432 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,2,0,0,0,0|0,0,2]=4 4433 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,2,0,0,0,0|0,0,2]=4 4434 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [0,2,0,0,0,0|0,0,2]=4 4435 B9R0.12 CCCC(NC)C(C)CC 270004a_106832991635_100011218362 [0,2,0,0,0,0|2,0,0]=4 4436 B9R0.12 CCCC(OC)C(C)CC 34a_100011215975_200000210301 [0,2,0,0,0,0|2,0,0]=4 4437 B9R0.12 CCCC(OC)C(C)CC 7a_100011215975_200000210301 [0,2,0,0,0,0|2,0,0]=4 4438 B9R0.12 CCCC(O[13CH3])C(C)CC 34a_100011215975_200025704644 [0,2,0,0,0,0|2,0,0]=4 4439 B9R0.12 CCCC(O[13CH3])C(C)CC 7a_100011215975_200025704644 [0,2,0,0,0,0|2,0,0]=4 4440 B9R0.12 CCCN(CC)C(C)CO 2230a_100000226822_100012180447 [0,2,0,0,0,0|2,0,0]=4 4441 B9R0.12 CCCN(CC)C(C)CO 2230a_100000731049_100000210303 [0,2,0,0,0,0|2,0,0]=4 4442 B9R0.12 CCCN(CC)C(C)CO 2230a_100011303929_100000210202 [0,2,0,0,0,0|2,0,0]=4 4443 B9R0.12 CCCN(CC)C(C)CO 269982a_100000731049_100000210303 [0,2,0,0,0,0|2,0,0]=4 4444 B9R0.12 CCCN(CC)C(C)CO 269982a_100011303929_100000204670 [0,2,0,0,0,0|2,0,0]=4 4445 B9R0.12 CCCN(CC)[C@H](C)CO 269982a_100000226822_100016084084 [0,2,0,0,0,0|2,0,0]=4 4446 B9R0.12 CCCN(CF)C(C)CO 269982a_100011303929_100015361967 [0,2,0,0,0,0|2,0,0]=4 4447 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [0,2,0,0,0,0|1,0,1]=4 4448 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [0,2,0,0,0,0|1,0,1]=4 4449 B9R0.19 CCCN(C)C(C)(C)CO 269982a_100015204102_100000210303 [0,2,0,0,0,0|2,0,0]=4 4450 B9R0.23 C=C(C)CC(=O)C(O)CO 1458a_100011215603_100000748629 [0,2,0,0,0,0|0,0,2]=4 4451 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [0,2,0,0,0,0|0,0,1]=3 4452 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,2,0,0,0,0|0,0,2]=4 4453 B9R0.23 CC(C)CN(C)C(C)CO 2230a_100000693034_100000210760 [0,2,0,0,0,0|2,0,0]=4 4454 B9R0.23 CC(C)CN(C)C(C)CO 2230a_100000747067_100012180447 [0,2,0,0,0,0|2,0,0]=4 4455 B9R0.23 CC(C)CN(C)C(C)CO 269982a_100000693034_100000210624 [0,2,0,0,0,0|2,0,0]=4 4456 B9R0.23 CC(C)CN(C)C(C)CO 270004a_100000693034_100000210432 [0,2,0,0,0,0|2,0,0]=4 4457 B9R0.23 CC(C)CN(C)[C@H](C)CO 269982a_100000747067_100016084084 [0,2,0,0,0,0|2,0,0]=4 4458 B9R0.23 CC(C)NC(=O)C(O)CO 240690a_100138425928_100011215603 [0,2,0,0,0,0|1,0,1]=4 4459 B9R0.23 CC(CO)N(C)C[C@@H](C)O 2230a_100000693034_100009817552 [0,2,0,0,0,0|2,0,0]=4 4460 B9R0.23 CC(CO)N(C)C[C@@H](C)O 269982a_100000693034_100009817552 [0,2,0,0,0,0|2,0,0]=4 4461 B9R0.23 CC(O)CC(=O)C(O)CO 1458a_100011215603_100011218427 [0,2,0,0,0,0|0,0,1]=3 4462 B9R0.23 CC(O)CN(C)C(C)CO 2230a_100000227577_100012180447 [0,2,0,0,0,0|2,0,0]=4 4463 B9R0.23 CC(O)CN(C)C(C)CO 2230a_100000693034_100011218427 [0,2,0,0,0,0|2,0,0]=4 4464 B9R0.23 CC(O)CN(C)C(C)CO 269982a_100000693034_100011218427 [0,2,0,0,0,0|2,0,0]=4 4465 B9R0.23 CC(O)CN(C)[C@H](C)CO 269982a_100000227577_100016084084 [0,2,0,0,0,0|2,0,0]=4 4466 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,2,0,0,0,0|1,0,1]=4 4467 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,2,0,0,0,0|1,0,1]=4 4468 B9R0.23 O=C(CC(F)F)C(O)CO 1458a_100011215603_100011934356 [0,2,0,0,0,0|1,0,1]=4 4469 B9R0.27 CCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210202 [0,2,0,0,0,0|0,0,1]=3 4470 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,2,0,0,0,0|1,0,1]=4 4471 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [0,2,0,0,0,0|0,0,1]=3 4472 B9R0.27 CCC(C)N(C)C(C)CO 2230a_100000693034_100000758301 [0,2,0,0,0,0|2,0,0]=4 4473 B9R0.27 CCC(C)N(C)C(C)CO 2230a_100000741768_100012180447 [0,2,0,0,0,0|2,0,0]=4 4474 B9R0.27 CCC(C)N(C)C(C)CO 269982a_100000693034_100000758301 [0,2,0,0,0,0|2,0,0]=4 4475 B9R0.27 CCC(C)N(C)[C@H](C)CO 269982a_100000741768_100016084084 [0,2,0,0,0,0|2,0,0]=4 4476 B9R0.27 CCN(C)C(=O)C(O)CO 240690a_100000225621_100011215603 [0,2,0,0,0,0|1,0,1]=4 4477 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [0,2,0,0,0,0|1,0,1]=4 4478 B9R0.27 O=C(CF)[C@H](O)[C@H](O)CO 1458a_100015448053_100015361967 [0,2,0,0,0,0|1,0,1]=4 4479 B9R0.37 C#CC(OC)C(C)CCC 34a_200011216176_200000210301 [0,2,0,0,0,0|1,0,1]=4 4480 B9R0.37 C#CC(OC)C(C)CCC 7a_200011216176_200000210301 [0,2,0,0,0,0|1,0,1]=4 4481 B9R0.37 C#CC(O[13CH3])C(C)CCC 34a_200011216176_200025704644 [0,2,0,0,0,0|1,0,1]=4 4482 B9R0.37 C#CC(O[13CH3])C(C)CCC 7a_200011216176_200025704644 [0,2,0,0,0,0|1,0,1]=4 4483 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [0,2,0,0,0,0|1,0,1]=4 4484 B9R0.37 CCCC(C)C(CC)OC 34a_200011218412_200000210301 [0,2,0,0,0,0|1,0,0]=3 4485 B9R0.37 CCCC(C)C(CC)OC 7a_200011218412_200000210301 [0,2,0,0,0,0|1,0,0]=3 4486 B9R0.37 CCCC(C)C(CC)O[13CH3] 34a_200011218412_200025704644 [0,2,0,0,0,0|1,0,0]=3 4487 B9R0.37 CCCC(C)C(CC)O[13CH3] 7a_200011218412_200025704644 [0,2,0,0,0,0|1,0,0]=3 4488 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [0,2,0,0,0,0|1,0,1]=4 4489 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [0,2,0,0,0,0|1,0,1]=4 4490 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [0,2,0,0,0,0|1,0,1]=4 4491 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [0,2,0,0,0,0|1,0,1]=4 4492 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [0,2,0,0,0,0|1,0,1]=4 4493 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [0,2,0,0,0,0|1,0,1]=4 4494 B9R0.1 C=C(C)CNCC(O)CC 2230a_100011218483_100000748629 [0,2,0,0,0,0|1,0,1]=4 4495 B9R0.1 C=C(C)CNC[C@@H](F)CO 34a_100015665980_100000748629 [0,2,0,0,0,0|1,0,1]=4 4496 B9R0.1 C=C(C)CNC[C@H](O)CO 2230a_100020644852_100000748629 [0,2,0,0,0,0|0,0,1]=3 4497 B9R0.1 C=C(C)COCC(O)CC 34a_100000210245_100011218378 [0,2,0,0,0,0|1,0,1]=4 4498 B9R0.1 C=C(C)COCC(O)CO 34a_100000210245_100011219619 [0,2,0,0,0,0|0,0,1]=3 4499 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [0,2,0,0,0,0|1,0,1]=4 4500 B9R0.1 C=C(C)COC[C@@H](O)CF 34a_100000210245_100015614560 [0,2,0,0,0,0|1,0,1]=4 4501 B9R0.1 C=C(C)COC[C@@H](O)CO 34a_100000210245_100009815848 [0,2,0,0,0,0|0,0,1]=3 4502 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,2,0,0,0,0|1,0,1]=4 4503 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,2,0,0,0,0|1,0,1]=4 4504 B9R0.1 C=C(C)CSCC(O)CO 62a_100000748629_100011219619 [0,2,0,0,0,0|0,0,1]=3 4505 B9R0.1 C=C(C)CSCC(O)CO 62a_100011219619_100000211660 [0,2,0,0,0,0|0,0,1]=3 4506 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [0,2,0,0,0,0|1,0,1]=4 4507 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [0,2,0,0,0,0|1,0,1]=4 4508 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100000748629_100015614560 [0,2,0,0,0,0|1,0,1]=4 4509 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100015614560_100000211660 [0,2,0,0,0,0|1,0,1]=4 4510 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100000748629_100009815848 [0,2,0,0,0,0|0,0,1]=3 4511 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100009815848_100000211660 [0,2,0,0,0,0|0,0,1]=3 4512 B9R0.1 C=C(F)CNC[C@H](O)CO 2230a_100020644852_100009893438 [0,2,0,0,0,0|0,0,2]=4 4513 B9R0.1 C=C(F)COCC(O)CO 34a_200010262243_100011219619 [0,2,0,0,0,0|0,0,2]=4 4514 B9R0.1 C=C(F)COC[C@@H](O)CO 34a_200010262243_100009815848 [0,2,0,0,0,0|0,0,2]=4 4515 B9R0.1 C=C(F)CSCC(O)CO 62a_100000042424_100011219619 [0,2,0,0,0,0|0,0,2]=4 4516 B9R0.1 C=C(F)CSCC(O)CO 62a_100011219619_100000042424 [0,2,0,0,0,0|0,0,2]=4 4517 B9R0.1 C=C(F)CSC[C@@H](O)CO 62a_100000042424_100009815848 [0,2,0,0,0,0|0,0,2]=4 4518 B9R0.1 C=C(F)CSC[C@@H](O)CO 62a_100009815848_100000042424 [0,2,0,0,0,0|0,0,2]=4 4519 B9R0.1 C=CC(O)CNCC(C)C 2230a_100000210953_100000730141 [0,2,0,0,0,0|1,0,1]=4 4520 B9R0.1 C=CC(O)CNCC(C)C 34a_100000210953_100000730141 [0,2,0,0,0,0|1,0,1]=4 4521 B9R0.1 C=CC(O)CNCC(C)O 2230a_100000210904_100000730141 [0,2,0,0,0,0|1,0,1]=4 4522 B9R0.1 C=CC(O)CNCC(C)O 34a_100000210904_100000730141 [0,2,0,0,0,0|1,0,1]=4 4523 B9R0.1 C=CC(O)COCC(C)Br 34a_100012180447_100000730141 [0,2,0,0,0,0|1,0,1]=4 4524 B9R0.1 C=CC(O)COCC(C)C 34a_100000210257_100000730141 [0,2,0,0,0,0|1,0,1]=4 4525 B9R0.1 C=CC(O)COCC(C)F 34a_100015925927_100000730141 [0,2,0,0,0,0|1,0,1]=4 4526 B9R0.1 C=CC(O)COC[C@@H](C)Cl 34a_100016084084_100000730141 [0,2,0,0,0,0|1,0,1]=4 4527 B9R0.1 C=CC(O)COC[C@@H](C)N 34a_100000737577_100000730141 [0,2,0,0,0,0|1,0,1]=4 4528 B9R0.1 C=CC(O)CSCC(C)C 62a_100000210624_100000730141 [0,2,0,0,0,0|1,0,1]=4 4529 B9R0.1 C=CC(O)CSCC(C)C 62a_100000730141_100000210760 [0,2,0,0,0,0|1,0,1]=4 4530 B9R0.1 C=CC(O)CSCC(C)O 62a_100000730141_100011218427 [0,2,0,0,0,0|1,0,1]=4 4531 B9R0.1 C=CC(O)CSCC(C)O 62a_100011218427_100000730141 [0,2,0,0,0,0|1,0,1]=4 4532 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100000730141_100009817552 [0,2,0,0,0,0|1,0,1]=4 4533 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100009817552_100000730141 [0,2,0,0,0,0|1,0,1]=4 4534 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,2,0,0,0,0|0,0,2]=4 4535 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,2,0,0,0,0|1,0,1]=4 4536 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,2,0,0,0,0|1,0,1]=4 4537 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,2,0,0,0,0|1,0,1]=4 4538 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,2,0,0,0,0|1,0,1]=4 4539 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,2,0,0,0,0|1,0,1]=4 4540 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,2,0,0,0,0|0,0,1]=3 4541 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,2,0,0,0,0|1,0,1]=4 4542 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,2,0,0,0,0|1,0,1]=4 4543 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,2,0,0,0,0|0,0,1]=3 4544 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,2,0,0,0,0|1,0,1]=4 4545 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,2,0,0,0,0|1,0,1]=4 4546 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [0,2,0,0,0,0|1,0,0]=3 4547 B9R0.1 CC(Br)COCC(O)CO 34a_100012180447_100011219619 [0,2,0,0,0,0|0,0,0]=2 4548 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [0,2,0,0,0,0|1,0,0]=3 4549 B9R0.1 CC(Br)COC[C@@H](O)CF 34a_100012180447_100015614560 [0,2,0,0,0,0|1,0,0]=3 4550 B9R0.1 CC(Br)COC[C@@H](O)CO 34a_100012180447_100009815848 [0,2,0,0,0,0|0,0,0]=2 4551 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,2,0,0,0,0|0,0,2]=4 4552 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,2,0,0,0,0|0,0,2]=4 4553 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,2,0,0,0,0|0,0,2]=4 4554 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [0,2,0,0,0,0|2,0,0]=4 4555 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [0,2,0,0,0,0|1,0,0]=3 4556 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [0,2,0,0,0,0|1,0,0]=3 4557 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [0,2,0,0,0,0|2,0,0]=4 4558 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [0,2,0,0,0,0|2,0,0]=4 4559 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [0,2,0,0,0,0|2,0,0]=4 4560 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,2,0,0,0,0|1,0,0]=3 4561 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,2,0,0,0,0|1,0,0]=3 4562 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,2,0,0,0,0|1,0,0]=3 4563 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,2,0,0,0,0|1,0,0]=3 4564 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,2,0,0,0,0|1,0,0]=3 4565 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [0,2,0,0,0,0|1,0,0]=3 4566 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [0,2,0,0,0,0|0,0,0]=2 4567 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [0,2,0,0,0,0|0,0,0]=2 4568 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [0,2,0,0,0,0|1,0,0]=3 4569 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [0,2,0,0,0,0|1,0,0]=3 4570 B9R0.1 CC(C)CNC[C@@H](F)CO 270004a_100015665980_100000210432 [0,2,0,0,0,0|1,0,0]=3 4571 B9R0.1 CC(C)CNC[C@@H](F)CO 34a_100015665980_100000210624 [0,2,0,0,0,0|1,0,0]=3 4572 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [0,2,0,0,0,0|1,0,0]=3 4573 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [0,2,0,0,0,0|1,0,0]=3 4574 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [0,2,0,0,0,0|0,0,0]=2 4575 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [0,2,0,0,0,0|0,0,0]=2 4576 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [0,2,0,0,0,0|0,0,0]=2 4577 B9R0.1 CC(C)COCC(C)CN 34a_100000744482_100000210624 [0,2,0,0,0,0|2,0,0]=4 4578 B9R0.1 CC(C)COCC(Cl)CCl 34a_100000033668_100000210624 [0,2,0,0,0,0|2,0,0]=4 4579 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [0,2,0,0,0,0|0,0,0]=2 4580 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [0,2,0,0,0,0|1,0,0]=3 4581 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [0,2,0,0,0,0|1,0,0]=3 4582 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [0,2,0,0,0,0|0,0,0]=2 4583 B9R0.1 CC(C)COC[C@H](F)CN 34a_100015665980_100000210624 [0,2,0,0,0,0|2,0,0]=4 4584 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,2,0,0,0,0|0,0,0]=2 4585 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,2,0,0,0,0|0,0,0]=2 4586 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [0,2,0,0,0,0|1,0,0]=3 4587 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [0,2,0,0,0,0|1,0,0]=3 4588 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [0,2,0,0,0,0|1,0,0]=3 4589 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [0,2,0,0,0,0|1,0,0]=3 4590 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,2,0,0,0,0|0,0,0]=2 4591 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,2,0,0,0,0|0,0,0]=2 4592 B9R0.1 CC(C)NN=CC(O)CO 4a_100000741168_100000033539 [0,2,0,0,0,0|1,0,1]=4 4593 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,2,0,0,0,0|0,0,2]=4 4594 B9R0.1 CC(C)OCN[C@H](C)CO 2230a_100000737577_100000709892 [0,2,0,0,0,0|2,0,0]=4 4595 B9R0.1 CC(C)OCSC(C)CO 62a_100012180447_100000709892 [0,2,0,0,0,0|2,0,0]=4 4596 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100000709892_100016084084 [0,2,0,0,0,0|2,0,0]=4 4597 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100016084084_100000709892 [0,2,0,0,0,0|2,0,0]=4 4598 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,2,0,0,0,0|0,0,2]=4 4599 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [0,2,0,0,0,0|2,0,0]=4 4600 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,2,0,0,0,0|1,0,0]=3 4601 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,2,0,0,0,0|1,0,0]=3 4602 B9R0.1 CC(CO)CNCC(F)F 34a_100000744482_100011934356 [0,2,0,0,0,0|2,0,0]=4 4603 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,2,0,0,0,0|1,0,0]=3 4604 B9R0.1 CC(CO)OCCC(F)F 34a_100103093639_100012180447 [0,2,0,0,0,0|2,0,0]=4 4605 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [0,2,0,0,0,0|1,0,0]=3 4606 B9R0.1 CC(CO)SCCN(C)C 62a_100012180447_100000755713 [0,2,0,0,0,0|2,0,0]=4 4607 B9R0.1 CC(F)COCC(O)CO 34a_100015925927_100011219619 [0,2,0,0,0,0|0,0,0]=2 4608 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [0,2,0,0,0,0|1,0,0]=3 4609 B9R0.1 CC(F)COC[C@@H](O)CF 34a_100015925927_100015614560 [0,2,0,0,0,0|1,0,0]=3 4610 B9R0.1 CC(F)COC[C@@H](O)CO 34a_100015925927_100009815848 [0,2,0,0,0,0|0,0,0]=2 4611 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,2,0,0,0,0|0,0,2]=4 4612 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,2,0,0,0,0|0,0,2]=4 4613 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,2,0,0,0,0|0,0,2]=4 4614 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [0,2,0,0,0,0|1,0,0]=3 4615 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [0,2,0,0,0,0|1,0,0]=3 4616 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [0,2,0,0,0,0|2,0,0]=4 4617 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [0,2,0,0,0,0|2,0,0]=4 4618 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,2,0,0,0,0|2,0,0]=4 4619 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,2,0,0,0,0|1,0,0]=3 4620 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,2,0,0,0,0|1,0,0]=3 4621 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,2,0,0,0,0|1,0,0]=3 4622 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,2,0,0,0,0|1,0,0]=3 4623 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [0,2,0,0,0,0|0,0,0]=2 4624 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [0,2,0,0,0,0|0,0,0]=2 4625 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,2,0,0,0,0|1,0,0]=3 4626 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,2,0,0,0,0|1,0,0]=3 4627 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [0,2,0,0,0,0|1,0,0]=3 4628 B9R0.1 CC(O)CNC[C@@H](O)CF 2230a_100000210904_100015614560 [0,2,0,0,0,0|1,0,0]=3 4629 B9R0.1 CC(O)CNC[C@@H](O)CF 34a_100000210904_100015614560 [0,2,0,0,0,0|1,0,0]=3 4630 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [0,2,0,0,0,0|0,0,0]=2 4631 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [0,2,0,0,0,0|0,0,0]=2 4632 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [0,2,0,0,0,0|0,0,0]=2 4633 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [0,2,0,0,0,0|2,0,0]=4 4634 B9R0.1 CC(O)COCC(Cl)CCl 34a_100000033668_100011218427 [0,2,0,0,0,0|2,0,0]=4 4635 B9R0.1 CC(O)COC[C@H](F)CN 34a_100015665980_100011218427 [0,2,0,0,0,0|2,0,0]=4 4636 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [0,2,0,0,0,0|0,0,0]=2 4637 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [0,2,0,0,0,0|0,0,0]=2 4638 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,2,0,0,0,0|1,0,0]=3 4639 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,2,0,0,0,0|1,0,0]=3 4640 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100011218427_100015614560 [0,2,0,0,0,0|1,0,0]=3 4641 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100015614560_100011218427 [0,2,0,0,0,0|1,0,0]=3 4642 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [0,2,0,0,0,0|0,0,0]=2 4643 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [0,2,0,0,0,0|0,0,0]=2 4644 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,2,0,0,0,0|2,0,0]=4 4645 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,2,0,0,0,0|2,0,0]=4 4646 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,2,0,0,0,0|2,0,0]=4 4647 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,2,0,0,0,0|2,0,0]=4 4648 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,2,0,0,0,0|2,0,0]=4 4649 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,2,0,0,0,0|2,0,0]=4 4650 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,2,0,0,0,0|2,0,0]=4 4651 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,2,0,0,0,0|2,0,0]=4 4652 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,2,0,0,0,0|2,0,0]=4 4653 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,2,0,0,0,0|2,0,0]=4 4654 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,2,0,0,0,0|2,0,0]=4 4655 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,2,0,0,0,0|2,0,0]=4 4656 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [0,2,0,0,0,0|2,0,0]=4 4657 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,2,0,0,0,0|2,0,0]=4 4658 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [0,2,0,0,0,0|2,0,0]=4 4659 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [0,2,0,0,0,0|2,0,0]=4 4660 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [0,2,0,0,0,0|2,0,0]=4 4661 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,2,0,0,0,0|2,0,0]=4 4662 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,2,0,0,0,0|2,0,0]=4 4663 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,2,0,0,0,0|2,0,0]=4 4664 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,2,0,0,0,0|2,0,0]=4 4665 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,2,0,0,0,0|2,0,0]=4 4666 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,2,0,0,0,0|2,0,0]=4 4667 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,2,0,0,0,0|2,0,0]=4 4668 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,2,0,0,0,0|2,0,0]=4 4669 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,2,0,0,0,0|2,0,0]=4 4670 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,2,0,0,0,0|2,0,0]=4 4671 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,2,0,0,0,0|2,0,0]=4 4672 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,2,0,0,0,0|2,0,0]=4 4673 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,2,0,0,0,0|2,0,0]=4 4674 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,2,0,0,0,0|2,0,0]=4 4675 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,2,0,0,0,0|2,0,0]=4 4676 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,2,0,0,0,0|2,0,0]=4 4677 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,2,0,0,0,0|2,0,0]=4 4678 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,2,0,0,0,0|2,0,0]=4 4679 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,2,0,0,0,0|2,0,0]=4 4680 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,2,0,0,0,0|2,0,0]=4 4681 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,2,0,0,0,0|1,0,0]=3 4682 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,2,0,0,0,0|1,0,0]=3 4683 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,2,0,0,0,0|1,0,0]=3 4684 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,2,0,0,0,0|1,0,0]=3 4685 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,2,0,0,0,0|1,0,0]=3 4686 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,2,0,0,0,0|1,0,0]=3 4687 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,2,0,0,0,0|1,0,0]=3 4688 B9R0.1 CCC(O)CNCC(F)F 2230a_100011218483_100011934356 [0,2,0,0,0,0|2,0,0]=4 4689 B9R0.1 CCC(O)CNCC(F)F 34a_100000765723_100011218378 [0,2,0,0,0,0|2,0,0]=4 4690 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,2,0,0,0,0|1,0,0]=3 4691 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,2,0,0,0,0|1,0,1]=4 4692 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [0,2,0,0,0,0|1,0,0]=3 4693 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,2,0,0,0,0|1,0,0]=3 4694 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [0,2,0,0,0,0|1,0,0]=3 4695 B9R0.1 CCC(O)COCC(F)F 34a_100000743014_100011218378 [0,2,0,0,0,0|2,0,0]=4 4696 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [0,2,0,0,0,0|1,0,0]=3 4697 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [0,2,0,0,0,0|1,0,0]=3 4698 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,2,0,0,0,0|1,0,0]=3 4699 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,2,0,0,0,0|1,0,0]=3 4700 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,2,0,0,0,0|1,0,0]=3 4701 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,2,0,0,0,0|1,0,0]=3 4702 B9R0.1 CCC(O)CSCC(F)F 62a_100011218378_100011934356 [0,2,0,0,0,0|2,0,0]=4 4703 B9R0.1 CCC(O)CSCC(F)F 62a_100011934356_100011218378 [0,2,0,0,0,0|2,0,0]=4 4704 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,2,0,0,0,0|1,0,0]=3 4705 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,2,0,0,0,0|1,0,0]=3 4706 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,2,0,0,0,0|2,0,0]=4 4707 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,2,0,0,0,0|2,0,0]=4 4708 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,2,0,0,0,0|2,0,0]=4 4709 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,2,0,0,0,0|2,0,0]=4 4710 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [0,2,0,0,0,0|2,0,0]=4 4711 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,2,0,0,0,0|2,0,0]=4 4712 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,2,0,0,0,0|2,0,0]=4 4713 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [0,2,0,0,0,0|2,0,0]=4 4714 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,2,0,0,0,0|2,0,0]=4 4715 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [0,2,0,0,0,0|2,0,0]=4 4716 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [0,2,0,0,0,0|2,0,0]=4 4717 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,2,0,0,0,0|2,0,0]=4 4718 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,2,0,0,0,0|2,0,0]=4 4719 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,2,0,0,0,0|2,0,0]=4 4720 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,2,0,0,0,0|2,0,0]=4 4721 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,2,0,0,0,0|2,0,0]=4 4722 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,2,0,0,0,0|2,0,0]=4 4723 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,2,0,0,0,0|2,0,0]=4 4724 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,2,0,0,0,0|0,0,2]=4 4725 B9R0.1 C[C@@H](CO)CNCC(F)F 34a_100000765723_100000059175 [0,2,0,0,0,0|2,0,0]=4 4726 B9R0.1 C[C@@H](CO)COCC(F)F 34a_100000743014_100000059175 [0,2,0,0,0,0|2,0,0]=4 4727 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [0,2,0,0,0,0|1,0,0]=3 4728 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [0,2,0,0,0,0|1,0,0]=3 4729 B9R0.1 C[C@@H](CO)CSCC(F)F 62a_100000059175_100011934356 [0,2,0,0,0,0|2,0,0]=4 4730 B9R0.1 C[C@@H](CO)CSCC(F)F 62a_100011934356_100000059175 [0,2,0,0,0,0|2,0,0]=4 4731 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,2,0,0,0,0|1,0,0]=3 4732 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,2,0,0,0,0|1,0,0]=3 4733 B9R0.1 C[C@@H](Cl)COCC(O)CO 34a_100016084084_100011219619 [0,2,0,0,0,0|0,0,0]=2 4734 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CF 34a_100016084084_100015614560 [0,2,0,0,0,0|1,0,0]=3 4735 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CO 34a_100016084084_100009815848 [0,2,0,0,0,0|0,0,0]=2 4736 B9R0.1 C[C@@H](N)COCC(O)CO 34a_100000737577_100011219619 [0,2,0,0,0,0|0,0,0]=2 4737 B9R0.1 C[C@@H](N)COC[C@@H](O)CF 34a_100000737577_100015614560 [0,2,0,0,0,0|1,0,0]=3 4738 B9R0.1 C[C@@H](N)COC[C@@H](O)CO 34a_100000737577_100009815848 [0,2,0,0,0,0|0,0,0]=2 4739 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [0,2,0,0,0,0|1,0,0]=3 4740 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [0,2,0,0,0,0|0,0,0]=2 4741 B9R0.1 C[C@@H](O)COCC(Cl)CCl 34a_100000033668_100009817552 [0,2,0,0,0,0|2,0,0]=4 4742 B9R0.1 C[C@@H](O)COC[C@H](F)CN 34a_100015665980_100009817552 [0,2,0,0,0,0|2,0,0]=4 4743 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [0,2,0,0,0,0|0,0,0]=2 4744 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [0,2,0,0,0,0|0,0,0]=2 4745 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100009817552_100015614560 [0,2,0,0,0,0|1,0,0]=3 4746 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100009817552 [0,2,0,0,0,0|1,0,0]=3 4747 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [0,2,0,0,0,0|0,0,0]=2 4748 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [0,2,0,0,0,0|0,0,0]=2 4749 B9R0.1 C[C@H](CO)SCCN(C)C 62a_100016084084_100000755713 [0,2,0,0,0,0|2,0,0]=4 4750 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,2,0,0,0,0|1,0,1]=4 4751 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,2,0,0,0,0|1,0,1]=4 4752 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,2,0,0,0,0|1,0,1]=4 4753 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [0,2,0,0,0,0|1,0,1]=4 4754 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [0,2,0,0,0,0|1,0,1]=4 4755 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [0,2,0,0,0,0|1,0,1]=4 4756 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [0,2,0,0,0,0|1,0,1]=4 4757 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,2,0,0,0,0|1,0,1]=4 4758 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,2,0,0,0,0|1,0,1]=4 4759 B9R0.1 O=C([O-])CSCC(O)CO 62a_100011219619_100020667443 [0,2,0,0,0,0|1,0,1]=4 4760 B9R0.1 O=C([O-])CSCC(O)CO 62a_100020667443_100011219619 [0,2,0,0,0,0|1,0,1]=4 4761 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100009815848_100020667443 [0,2,0,0,0,0|1,0,1]=4 4762 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100020667443_100009815848 [0,2,0,0,0,0|1,0,1]=4 4763 B9R0.1 O=[N+]([O-])CSCC(O)CO 62a_100011219619_100000761209 [0,2,0,0,0,0|2,0,0]=4 4764 B9R0.1 O=[N+]([O-])CSC[C@@H](O)CO 62a_100009815848_100000761209 [0,2,0,0,0,0|2,0,0]=4 4765 B9R0.1 OCC(O)CNCC(F)F 34a_100000765723_100011219619 [0,2,0,0,0,0|1,0,0]=3 4766 B9R0.1 OCC(O)COCC(F)F 34a_100000743014_100011219619 [0,2,0,0,0,0|1,0,0]=3 4767 B9R0.1 OCC(O)CSCC(F)F 62a_100011219619_100011934356 [0,2,0,0,0,0|1,0,0]=3 4768 B9R0.1 OCC(O)CSCC(F)F 62a_100011934356_100011219619 [0,2,0,0,0,0|1,0,0]=3 4769 B9R0.1 OC[C@@H](O)CNCC(F)F 2230a_100020644852_100011934356 [0,2,0,0,0,0|1,0,0]=3 4770 B9R0.1 OC[C@H](F)CNCC(F)F 34a_100015665980_100011934356 [0,2,0,0,0,0|2,0,0]=4 4771 B9R0.1 OC[C@H](O)CNCC(F)F 34a_100000765723_100009815848 [0,2,0,0,0,0|1,0,0]=3 4772 B9R0.1 OC[C@H](O)COCC(F)F 34a_100000743014_100009815848 [0,2,0,0,0,0|1,0,0]=3 4773 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100009815848_100011934356 [0,2,0,0,0,0|1,0,0]=3 4774 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100011934356_100009815848 [0,2,0,0,0,0|1,0,0]=3 4775 B9R0.1 O[C@@H](CF)CNCC(F)F 34a_100000765723_100015614560 [0,2,0,0,0,0|2,0,0]=4 4776 B9R0.1 O[C@@H](CF)COCC(F)F 34a_100000743014_100015614560 [0,2,0,0,0,0|2,0,0]=4 4777 B9R0.1 O[C@@H](CF)CSCC(F)F 62a_100011934356_100015614560 [0,2,0,0,0,0|2,0,0]=4 4778 B9R0.1 O[C@@H](CF)CSCC(F)F 62a_100015614560_100011934356 [0,2,0,0,0,0|2,0,0]=4 4779 B9R0.20 CC(C)(CO)CCCN[13CH3] 2230a_100000039164_200025704644 [0,2,0,0,0,0|1,0,0]=3 4780 B9R0.20 CC(C)(CO)CNCCF 2230a_100020635058_100011217306 [0,2,0,0,0,0|2,0,0]=4 4781 B9R0.20 CC(C)(CO)CNCCF 34a_100000724931_100009813988 [0,2,0,0,0,0|2,0,0]=4 4782 B9R0.20 CC(C)(CO)CNCCO 2230a_100020635058_100000211926 [0,2,0,0,0,0|2,0,0]=4 4783 B9R0.20 CC(C)(CO)CNCCO 34a_100016990907_100009813988 [0,2,0,0,0,0|2,0,0]=4 4784 B9R0.20 CC(C)(CO)COCCBr 34a_100000211926_100009813988 [0,2,0,0,0,0|2,0,0]=4 4785 B9R0.20 CC(C)(CO)COCCN 34a_100000210304_100009813988 [0,2,0,0,0,0|2,0,0]=4 4786 B9R0.20 CC(C)(CO)CSCCF 62a_100009813988_100011217306 [0,2,0,0,0,0|2,0,0]=4 4787 B9R0.20 CC(C)(CO)CSCCF 62a_100011217306_100009813988 [0,2,0,0,0,0|2,0,0]=4 4788 B9R0.20 CC(C)(CO)CSCCO 62a_100000211926_100009813988 [0,2,0,0,0,0|2,0,0]=4 4789 B9R0.20 CC(C)(CO)CSCCO 62a_100009813988_100000211926 [0,2,0,0,0,0|2,0,0]=4 4790 B9R0.20 CC(C)(CO)NCCCF 2230a_100000210608_100011934791 [0,2,0,0,0,0|2,0,0]=4 4791 B9R0.20 CC(C)(CO)NCCCO 2230a_100000210608_100000230001 [0,2,0,0,0,0|2,0,0]=4 4792 B9R0.20 CCCCNC(C)(C)CC 2230a_100000211385_100000210211 [0,2,0,0,0,0|2,0,0]=4 4793 B9R0.20 CCCCNC(C)(C)CC 7a_106832991798_100000210677 [0,2,0,0,0,0|2,0,0]=4 4794 B9R0.20 CCCCNC(C)(C)CO 2230a_100000210608_100000210211 [0,2,0,0,0,0|1,0,0]=3 4795 B9R0.20 CCCCOC(C)(C)CC 7a_100000210227_100000210677 [0,2,0,0,0,0|2,0,0]=4 4796 B9R0.20 CCCCOC(C)(C)CC 7a_100000210230_100000210211 [0,2,0,0,0,0|2,0,0]=4 4797 B9R0.20 CCCCOC(C)(C)CCl 7a_100000764493_100000210211 [0,2,0,0,0,0|2,0,0]=4 4798 B9R0.20 CCCCSC(C)(C)CC 62a_100000032637_100000210210 [0,2,0,0,0,0|2,0,0]=4 4799 B9R0.20 CCCCSC(C)(C)CC 62a_100000210211_100000032637 [0,2,0,0,0,0|2,0,0]=4 4800 B9R0.20 CCCCSC(F)(F)CO 62a_100000210211_100011217949 [0,2,0,0,0,0|1,0,0]=3 4801 B9R0.20 CCCCSC(F)(F)CO 62a_100011217949_100000210210 [0,2,0,0,0,0|1,0,0]=3 4802 B9R0.20 CCCNCC(C)(C)CO 2230a_100020635058_100000210303 [0,2,0,0,0,0|1,0,0]=3 4803 B9R0.20 CCCOCC(C)(C)CC 7a_100000765029_100000210303 [0,2,0,0,0,0|2,0,0]=4 4804 B9R0.20 CCCOCC(C)(C)CCl 7a_100011217199_100000210303 [0,2,0,0,0,0|2,0,0]=4 4805 B9R0.20 CCCOCC(C)(C)CO 34a_100000210258_100009813988 [0,2,0,0,0,0|1,0,0]=3 4806 B9R0.20 CCCOCC(F)(F)CN 34a_100000703232_100000210303 [0,2,0,0,0,0|2,0,0]=4 4807 B9R0.20 CCCSCC(C)(C)CO 62a_100000210303_100009813988 [0,2,0,0,0,0|1,0,0]=3 4808 B9R0.20 CCCSCC(C)(C)CO 62a_100009813988_100000210303 [0,2,0,0,0,0|1,0,0]=3 4809 B9R0.20 CCOCSC(F)(F)CO 62a_100000739092_100011217949 [0,2,0,0,0,0|2,0,0]=4 4810 B9R0.20 CCOCSC(F)(F)CO 62a_100011217949_100000739092 [0,2,0,0,0,0|2,0,0]=4 4811 B9R0.20 CNCCCC(C)(C)CO 2230a_100000039164_200000210301 [0,2,0,0,0,0|1,0,0]=3 4812 B9R0.20 COCCNC(C)(C)CO 2230a_100000210608_100011201679 [0,2,0,0,0,0|2,0,0]=4 4813 B9R0.20 COCCSC(F)(F)CO 62a_100000233755_100011217949 [0,2,0,0,0,0|2,0,0]=4 4814 B9R0.20 COCCSC(F)(F)CO 62a_100011217949_100000233755 [0,2,0,0,0,0|2,0,0]=4 4815 B9R0.20 COCNCC(C)(C)CO 2230a_100020635058_100000766300 [0,2,0,0,0,0|2,0,0]=4 4816 B9R0.20 COCSCC(C)(C)CO 62a_100000766300_100009813988 [0,2,0,0,0,0|2,0,0]=4 4817 B9R0.20 COCSCC(C)(C)CO 62a_100009813988_100000766300 [0,2,0,0,0,0|2,0,0]=4 4818 B9R0.20 CSCCNC(C)(C)CO 2230a_100000210608_100000751147 [0,2,0,0,0,0|2,0,0]=4 4819 B9R0.20 CSCCSC(F)(F)CO 62a_100000212216_100011217949 [0,2,0,0,0,0|2,0,0]=4 4820 B9R0.20 CSCCSC(F)(F)CO 62a_100011217949_100000751147 [0,2,0,0,0,0|2,0,0]=4 4821 B9R0.20 CSCNCC(C)(C)CO 2230a_100020635058_100011218213 [0,2,0,0,0,0|2,0,0]=4 4822 B9R0.20 CSCSCC(C)(C)CO 62a_100009813988_100011218213 [0,2,0,0,0,0|2,0,0]=4 4823 B9R0.20 CSCSCC(C)(C)CO 62a_100011218213_100009813988 [0,2,0,0,0,0|2,0,0]=4 4824 B9R0.20 OCC(F)(F)SCCCF 62a_100011217949_100011934791 [0,2,0,0,0,0|2,0,0]=4 4825 B9R0.20 OCC(F)(F)SCCCF 62a_100011934791_100011217949 [0,2,0,0,0,0|2,0,0]=4 4826 B9R0.20 OCCCSC(F)(F)CO 62a_100011215043_100011217949 [0,2,0,0,0,0|2,0,0]=4 4827 B9R0.20 OCCCSC(F)(F)CO 62a_100011217949_100011215043 [0,2,0,0,0,0|2,0,0]=4 4828 B9R0.24 C#CC(C)NCC(C)CO 34a_100000744482_200000035995 [0,2,0,0,0,0|2,0,0]=4 4829 B9R0.24 C#CC(C)NCC(O)CC 2230a_100000707721_100011218378 [0,2,0,0,0,0|2,0,0]=4 4830 B9R0.24 C#CC(C)NCC(O)CC 34a_100000707721_100011218378 [0,2,0,0,0,0|2,0,0]=4 4831 B9R0.24 C#CC(C)NCC(O)CO 2230a_100000707721_100011219619 [0,2,0,0,0,0|1,0,0]=3 4832 B9R0.24 C#CC(C)NCC(O)CO 34a_100000707721_100011219619 [0,2,0,0,0,0|1,0,0]=3 4833 B9R0.24 C#CC(C)NC[C@@H](C)CO 2230a_100000707721_100000059175 [0,2,0,0,0,0|2,0,0]=4 4834 B9R0.24 C#CC(C)NC[C@@H](C)CO 34a_100000707721_100000059175 [0,2,0,0,0,0|2,0,0]=4 4835 B9R0.24 C#CC(C)NC[C@@H](F)CO 34a_100015665980_200000035995 [0,2,0,0,0,0|2,0,0]=4 4836 B9R0.24 C#CC(C)NC[C@@H](O)CF 2230a_100000707721_100015614560 [0,2,0,0,0,0|2,0,0]=4 4837 B9R0.24 C#CC(C)NC[C@@H](O)CF 34a_100000707721_100015614560 [0,2,0,0,0,0|2,0,0]=4 4838 B9R0.24 C#CC(C)NC[C@@H](O)CO 2230a_100000707721_100009815848 [0,2,0,0,0,0|1,0,0]=3 4839 B9R0.24 C#CC(C)NC[C@@H](O)CO 34a_100000707721_100009815848 [0,2,0,0,0,0|1,0,0]=3 4840 B9R0.24 C#CC(C)SCC(O)CC 62a_200000035995_100011218378 [0,2,0,0,0,0|2,0,0]=4 4841 B9R0.24 C#CC(C)SCC(O)CO 62a_200000035995_100011219619 [0,2,0,0,0,0|1,0,0]=3 4842 B9R0.24 C#CC(C)SC[C@@H](C)CO 62a_200000035995_100000059175 [0,2,0,0,0,0|2,0,0]=4 4843 B9R0.24 C#CC(C)SC[C@@H](O)CF 62a_200000035995_100015614560 [0,2,0,0,0,0|2,0,0]=4 4844 B9R0.24 C#CC(C)SC[C@@H](O)CO 62a_200000035995_100009815848 [0,2,0,0,0,0|1,0,0]=3 4845 B9R0.24 C#C[C@@H](C)OCC(O)CC 34a_100009815206_100011218378 [0,2,0,0,0,0|2,0,0]=4 4846 B9R0.24 C#C[C@@H](C)OCC(O)CC 7a_100009815206_100011218378 [0,2,0,0,0,0|2,0,0]=4 4847 B9R0.24 C#C[C@@H](C)OCC(O)CO 34a_100009815206_100011219619 [0,2,0,0,0,0|1,0,0]=3 4848 B9R0.24 C#C[C@@H](C)OCC(O)CO 7a_100009815206_100011219619 [0,2,0,0,0,0|1,0,0]=3 4849 B9R0.24 C#C[C@@H](C)OC[C@@H](C)CO 34a_100009815206_100000059175 [0,2,0,0,0,0|2,0,0]=4 4850 B9R0.24 C#C[C@@H](C)OC[C@@H](C)CO 7a_100009815206_100000059175 [0,2,0,0,0,0|2,0,0]=4 4851 B9R0.24 C#C[C@@H](C)OC[C@@H](O)CF 34a_100009815206_100015614560 [0,2,0,0,0,0|2,0,0]=4 4852 B9R0.24 C#C[C@@H](C)OC[C@@H](O)CF 7a_100009815206_100015614560 [0,2,0,0,0,0|2,0,0]=4 4853 B9R0.24 C#C[C@@H](C)OC[C@@H](O)CO 34a_100009815206_100009815848 [0,2,0,0,0,0|1,0,0]=3 4854 B9R0.24 C#C[C@@H](C)OC[C@@H](O)CO 7a_100009815206_100009815848 [0,2,0,0,0,0|1,0,0]=3 4855 B9R0.24 C=CC(C)COC(C)CO 34a_100011215527_100012180447 [0,2,0,0,0,0|2,0,0]=4 4856 B9R0.24 C=CC(C)COC(C)CO 7a_100011215527_100012180447 [0,2,0,0,0,0|2,0,0]=4 4857 B9R0.24 C=CC(C)OCC(O)CC 34a_100000695699_100011218378 [0,2,0,0,0,0|2,0,0]=4 4858 B9R0.24 C=CC(C)OCC(O)CO 34a_100000695699_100011219619 [0,2,0,0,0,0|1,0,0]=3 4859 B9R0.24 C=CC(C)OC[C@@H](C)CO 34a_100000695699_100000059175 [0,2,0,0,0,0|2,0,0]=4 4860 B9R0.24 C=CC(C)OC[C@@H](O)CF 34a_100000695699_100015614560 [0,2,0,0,0,0|2,0,0]=4 4861 B9R0.24 C=CC(C)OC[C@@H](O)CO 34a_100000695699_100009815848 [0,2,0,0,0,0|1,0,0]=3 4862 B9R0.24 C=CC(C)SCC(O)CC 62a_100011215867_100011218378 [0,2,0,0,0,0|2,0,0]=4 4863 B9R0.24 C=CC(C)SCC(O)CO 62a_100011215867_100011219619 [0,2,0,0,0,0|1,0,0]=3 4864 B9R0.24 C=CC(C)SC[C@@H](C)CO 62a_100011215867_100000059175 [0,2,0,0,0,0|2,0,0]=4 4865 B9R0.24 C=CC(C)SC[C@@H](O)CF 62a_100011215867_100015614560 [0,2,0,0,0,0|2,0,0]=4 4866 B9R0.24 C=CC(C)SC[C@@H](O)CO 62a_100011215867_100009815848 [0,2,0,0,0,0|1,0,0]=3 4867 B9R0.24 C=CC(O)CNC(C)CC 2230a_100000209981_100000730141 [0,2,0,0,0,0|1,0,1]=4 4868 B9R0.24 C=CC(O)COC(C)CC 7a_100000210228_100000730141 [0,2,0,0,0,0|1,0,1]=4 4869 B9R0.24 C=CC(O)CSC(C)CC 62a_100000730141_100000758301 [0,2,0,0,0,0|1,0,1]=4 4870 B9R0.24 C=CC(O)CSC(C)CC 62a_100000758301_100000730141 [0,2,0,0,0,0|1,0,1]=4 4871 B9R0.24 CC(C#N)NCC(O)CO 2230a_100000737613_100011219619 [0,2,0,0,0,0|1,0,0]=3 4872 B9R0.24 CC(C#N)NC[C@@H](C)CO 2230a_100000737613_100000059175 [0,2,0,0,0,0|2,0,0]=4 4873 B9R0.24 CC(C#N)NC[C@@H](O)CF 2230a_100000737613_100015614560 [0,2,0,0,0,0|2,0,0]=4 4874 B9R0.24 CC(C#N)NC[C@@H](O)CO 2230a_100000737613_100009815848 [0,2,0,0,0,0|1,0,0]=3 4875 B9R0.24 CC(C#N)NC[C@H](O)CO 2230a_100020644852_100000184139 [0,2,0,0,0,0|1,0,0]=3 4876 B9R0.24 CC(C#N)OCC(O)CO 34a_100011218135_100011219619 [0,2,0,0,0,0|1,0,0]=3 4877 B9R0.24 CC(C#N)OC[C@@H](C)CO 34a_100011218135_100000059175 [0,2,0,0,0,0|2,0,0]=4 4878 B9R0.24 CC(C#N)OC[C@@H](O)CF 34a_100011218135_100015614560 [0,2,0,0,0,0|2,0,0]=4 4879 B9R0.24 CC(C#N)OC[C@@H](O)CO 34a_100011218135_100009815848 [0,2,0,0,0,0|1,0,0]=3 4880 B9R0.24 CC(C#N)SCC(O)CO 62a_100000703298_100011219619 [0,2,0,0,0,0|1,0,0]=3 4881 B9R0.24 CC(C#N)SCC(O)CO 62a_100011219619_100000703298 [0,2,0,0,0,0|1,0,0]=3 4882 B9R0.24 CC(C#N)SC[C@@H](C)CO 62a_100000059175_100000703298 [0,2,0,0,0,0|2,0,0]=4 4883 B9R0.24 CC(C#N)SC[C@@H](C)CO 62a_100000703298_100000059175 [0,2,0,0,0,0|2,0,0]=4 4884 B9R0.24 CC(C#N)SC[C@@H](O)CF 62a_100000703298_100015614560 [0,2,0,0,0,0|2,0,0]=4 4885 B9R0.24 CC(C#N)SC[C@@H](O)CF 62a_100015614560_100000703298 [0,2,0,0,0,0|2,0,0]=4 4886 B9R0.24 CC(C#N)SC[C@@H](O)CO 62a_100000703298_100009815848 [0,2,0,0,0,0|1,0,0]=3 4887 B9R0.24 CC(C#N)SC[C@@H](O)CO 62a_100009815848_100000703298 [0,2,0,0,0,0|1,0,0]=3 4888 B9R0.24 CC(CF)OCC(O)CO 34a_100016041109_100011219619 [0,2,0,0,0,0|1,0,0]=3 4889 B9R0.24 CC(CF)OCC(O)CO 7a_100016041109_100011219619 [0,2,0,0,0,0|1,0,0]=3 4890 B9R0.24 CC(CF)OC[C@@H](C)CO 34a_100016041109_100000059175 [0,2,0,0,0,0|2,0,0]=4 4891 B9R0.24 CC(CF)OC[C@@H](C)CO 7a_100016041109_100000059175 [0,2,0,0,0,0|2,0,0]=4 4892 B9R0.24 CC(CF)OC[C@@H](O)CF 34a_100016041109_100015614560 [0,2,0,0,0,0|2,0,0]=4 4893 B9R0.24 CC(CF)OC[C@@H](O)CF 7a_100016041109_100015614560 [0,2,0,0,0,0|2,0,0]=4 4894 B9R0.24 CC(CF)OC[C@@H](O)CO 34a_100016041109_100009815848 [0,2,0,0,0,0|1,0,0]=3 4895 B9R0.24 CC(CF)OC[C@@H](O)CO 7a_100016041109_100009815848 [0,2,0,0,0,0|1,0,0]=3 4896 B9R0.24 CC(CN)COC(C)CO 34a_100000744482_100012180447 [0,2,0,0,0,0|2,0,0]=4 4897 B9R0.24 CC(CN)OCC(O)CO 34a_100000210904_100011219619 [0,2,0,0,0,0|1,0,0]=3 4898 B9R0.24 CC(CN)OC[C@@H](C)CO 34a_100000210904_100000059175 [0,2,0,0,0,0|2,0,0]=4 4899 B9R0.24 CC(CN)OC[C@@H](O)CF 34a_100000210904_100015614560 [0,2,0,0,0,0|2,0,0]=4 4900 B9R0.24 CC(CN)OC[C@@H](O)CO 34a_100000210904_100009815848 [0,2,0,0,0,0|1,0,0]=3 4901 B9R0.24 CC(CO)CNC(C)CO 34a_100000744482_100012180447 [0,2,0,0,0,0|2,0,0]=4 4902 B9R0.24 CC(CO)NC[C@@H](F)CO 34a_100015665980_100012180447 [0,2,0,0,0,0|2,0,0]=4 4903 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [0,2,0,0,0,0|1,0,0]=3 4904 B9R0.24 CC(CO)OCC(Cl)CCl 34a_100000033668_100012180447 [0,2,0,0,0,0|2,0,0]=4 4905 B9R0.24 CC(CO)OC[C@H](F)CN 34a_100015665980_100012180447 [0,2,0,0,0,0|2,0,0]=4 4906 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [0,2,0,0,0,0|1,0,0]=3 4907 B9R0.24 CC(CO)SC[C@@H](C)CO 62a_100012180447_100000059175 [0,2,0,0,0,0|2,0,0]=4 4908 B9R0.24 CC(CO)SC[C@@H](O)CF 62a_100012180447_100015614560 [0,2,0,0,0,0|2,0,0]=4 4909 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [0,2,0,0,0,0|1,0,0]=3 4910 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,2,0,0,0,0|2,0,0]=4 4911 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,2,0,0,0,0|1,0,1]=4 4912 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,2,0,0,0,0|1,0,1]=4 4913 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,2,0,0,0,0|1,0,1]=4 4914 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,2,0,0,0,0|1,0,1]=4 4915 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,2,0,0,0,0|1,0,1]=4 4916 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,2,0,0,0,0|1,0,1]=4 4917 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,2,0,0,0,0|1,0,1]=4 4918 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,2,0,0,0,0|1,0,1]=4 4919 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,2,0,0,0,0|1,0,1]=4 4920 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,2,0,0,0,0|1,0,1]=4 4921 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,2,0,0,0,0|1,0,1]=4 4922 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,2,0,0,0,0|0,0,1]=3 4923 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,2,0,0,0,0|0,0,1]=3 4924 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,2,0,0,0,0|2,0,0]=4 4925 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,2,0,0,0,0|2,0,0]=4 4926 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,2,0,0,0,0|0,0,2]=4 4927 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,2,0,0,0,0|0,0,2]=4 4928 B9R0.24 CCC(C)CNC(C)CC 2230a_100000209981_100000748023 [0,2,0,0,0,0|2,0,0]=4 4929 B9R0.24 CCC(C)CNC(C)CC 2230a_100020588543_100000758301 [0,2,0,0,0,0|2,0,0]=4 4930 B9R0.24 CCC(C)CNC(C)CC 270004a_100000209981_100000243153 [0,2,0,0,0,0|2,0,0]=4 4931 B9R0.24 CCC(C)CNC(C)CO 2230a_100020588543_100012180447 [0,2,0,0,0,0|1,0,0]=3 4932 B9R0.24 CCC(C)CN[C@H](C)CF 270004a_100102880703_100000243153 [0,2,0,0,0,0|2,0,0]=4 4933 B9R0.24 CCC(C)CN[C@H](C)CO 2230a_100000737577_100000748023 [0,2,0,0,0,0|1,0,0]=3 4934 B9R0.24 CCC(C)CN[C@H](C)CO 270004a_100000737577_100000243153 [0,2,0,0,0,0|1,0,0]=3 4935 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [0,2,0,0,0,0|2,0,0]=4 4936 B9R0.24 CCC(C)COC(C)CF 34a_100016041109_100000748023 [0,2,0,0,0,0|2,0,0]=4 4937 B9R0.24 CCC(C)COC(C)CF 7a_100016041109_100000748023 [0,2,0,0,0,0|2,0,0]=4 4938 B9R0.24 CCC(C)COC(C)CN 34a_100000210904_100000748023 [0,2,0,0,0,0|2,0,0]=4 4939 B9R0.24 CCC(C)CSC(C)CC 62a_100000748023_100000758301 [0,2,0,0,0,0|2,0,0]=4 4940 B9R0.24 CCC(C)CSC(C)CC 62a_100000758301_100000748023 [0,2,0,0,0,0|2,0,0]=4 4941 B9R0.24 CCC(C)CSC(C)CO 62a_100012180447_100000748023 [0,2,0,0,0,0|1,0,0]=3 4942 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100000748023_100016084084 [0,2,0,0,0,0|1,0,0]=3 4943 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100016084084_100000748023 [0,2,0,0,0,0|1,0,0]=3 4944 B9R0.24 CCC(C)NCC(C)CO 34a_100000744482_100011215416 [0,2,0,0,0,0|1,0,0]=3 4945 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [0,2,0,0,0,0|0,0,0]=2 4946 B9R0.24 CCC(C)NC[C@@H](C)CC 2230a_100000209981_100009816398 [0,2,0,0,0,0|2,0,0]=4 4947 B9R0.24 CCC(C)NC[C@@H](C)CO 2230a_100000209981_100000059175 [0,2,0,0,0,0|1,0,0]=3 4948 B9R0.24 CCC(C)NC[C@@H](F)CO 34a_100015665980_100011215416 [0,2,0,0,0,0|1,0,0]=3 4949 B9R0.24 CCC(C)NC[C@@H](O)CF 2230a_100000209981_100015614560 [0,2,0,0,0,0|1,0,0]=3 4950 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [0,2,0,0,0,0|0,0,0]=2 4951 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [0,2,0,0,0,0|0,0,0]=2 4952 B9R0.24 CCC(C)OCC(C)CN 34a_100000744482_100011215416 [0,2,0,0,0,0|2,0,0]=4 4953 B9R0.24 CCC(C)OCC(Cl)CCl 34a_100000033668_100011215416 [0,2,0,0,0,0|2,0,0]=4 4954 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [0,2,0,0,0,0|0,0,0]=2 4955 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [0,2,0,0,0,0|2,0,0]=4 4956 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [0,2,0,0,0,0|2,0,0]=4 4957 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [0,2,0,0,0,0|1,0,0]=3 4958 B9R0.24 CCC(C)OC[C@@H](O)CF 7a_100000210228_100015614560 [0,2,0,0,0,0|1,0,0]=3 4959 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [0,2,0,0,0,0|0,0,0]=2 4960 B9R0.24 CCC(C)OC[C@H](F)CN 34a_100015665980_100011215416 [0,2,0,0,0,0|2,0,0]=4 4961 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,2,0,0,0,0|0,0,0]=2 4962 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,2,0,0,0,0|0,0,0]=2 4963 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100000758301_100009816398 [0,2,0,0,0,0|2,0,0]=4 4964 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100009816398_100000758301 [0,2,0,0,0,0|2,0,0]=4 4965 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [0,2,0,0,0,0|1,0,0]=3 4966 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [0,2,0,0,0,0|1,0,0]=3 4967 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100000758301_100015614560 [0,2,0,0,0,0|1,0,0]=3 4968 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100015614560_100000758301 [0,2,0,0,0,0|1,0,0]=3 4969 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,2,0,0,0,0|0,0,0]=2 4970 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,2,0,0,0,0|0,0,0]=2 4971 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,2,0,0,0,0|1,0,1]=4 4972 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,2,0,0,0,0|1,0,1]=4 4973 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,2,0,0,0,0|0,0,2]=4 4974 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,2,0,0,0,0|0,0,2]=4 4975 B9R0.24 CCC(O)CNC(C)C#N 2230a_100000737613_100011218378 [0,2,0,0,0,0|2,0,0]=4 4976 B9R0.24 CCC(O)CNC(C)C#N 2230a_100011218483_100000184139 [0,2,0,0,0,0|2,0,0]=4 4977 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [0,2,0,0,0,0|1,0,0]=3 4978 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [0,2,0,0,0,0|1,0,0]=3 4979 B9R0.24 CCC(O)CNC(C)CO 2230a_100011218483_100012180447 [0,2,0,0,0,0|1,0,0]=3 4980 B9R0.24 CCC(O)CN[C@H](C)CO 2230a_100000737577_100011218378 [0,2,0,0,0,0|1,0,0]=3 4981 B9R0.24 CCC(O)COC(C)C#N 34a_100011218135_100011218378 [0,2,0,0,0,0|2,0,0]=4 4982 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,2,0,0,0,0|1,0,0]=3 4983 B9R0.24 CCC(O)COC(C)CF 34a_100016041109_100011218378 [0,2,0,0,0,0|2,0,0]=4 4984 B9R0.24 CCC(O)COC(C)CF 7a_100016041109_100011218378 [0,2,0,0,0,0|2,0,0]=4 4985 B9R0.24 CCC(O)COC(C)CN 34a_100000210904_100011218378 [0,2,0,0,0,0|2,0,0]=4 4986 B9R0.24 CCC(O)CSC(C)C#N 62a_100000703298_100011218378 [0,2,0,0,0,0|2,0,0]=4 4987 B9R0.24 CCC(O)CSC(C)C#N 62a_100011218378_100000703298 [0,2,0,0,0,0|2,0,0]=4 4988 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [0,2,0,0,0,0|1,0,0]=3 4989 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [0,2,0,0,0,0|1,0,0]=3 4990 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [0,2,0,0,0,0|1,0,0]=3 4991 B9R0.24 CCC(O)CSC(C)OC 62a_100009879195_100011218378 [0,2,0,0,0,0|2,0,0]=4 4992 B9R0.24 CCC(O)CSC(C)OC 62a_100011218378_100009879195 [0,2,0,0,0,0|2,0,0]=4 4993 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [0,2,0,0,0,0|1,0,0]=3 4994 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [0,2,0,0,0,0|1,0,0]=3 4995 B9R0.24 CC[C@H](C)CN[C@H](C)CO 2230a_100000737577_100009816398 [0,2,0,0,0,0|1,0,0]=3 4996 B9R0.24 CC[C@H](C)COC(C)CF 34a_100016041109_100009816398 [0,2,0,0,0,0|2,0,0]=4 4997 B9R0.24 CC[C@H](C)COC(C)CF 7a_100016041109_100009816398 [0,2,0,0,0,0|2,0,0]=4 4998 B9R0.24 CC[C@H](C)COC(C)CN 34a_100000210904_100009816398 [0,2,0,0,0,0|2,0,0]=4 4999 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [0,2,0,0,0,0|1,0,0]=3 5000 B9R0.24 CC[C@H](C)CSC(C)CO 62a_100012180447_100009816398 [0,2,0,0,0,0|1,0,0]=3 5001 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100009816398_100016084084 [0,2,0,0,0,0|1,0,0]=3 5002 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100016084084_100009816398 [0,2,0,0,0,0|1,0,0]=3 5003 B9R0.24 CNC(=O)NC[C@H](O)CO 2708a_100102657272_100020644852 [0,2,0,0,0,0|1,0,1]=4 5004 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100020644852_100102657272 [0,2,0,0,0,0|1,0,1]=4 5005 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100102657272_100020644852 [0,2,0,0,0,0|1,0,1]=4 5006 B9R0.24 COC(C)COC(C)CO 34a_100000690652_100012180447 [0,2,0,0,0,0|2,0,0]=4 5007 B9R0.24 COC(C)SCC(O)CO 62a_100009879195_100011219619 [0,2,0,0,0,0|1,0,0]=3 5008 B9R0.24 COC(C)SCC(O)CO 62a_100011219619_100009879195 [0,2,0,0,0,0|1,0,0]=3 5009 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100000059175_100009879195 [0,2,0,0,0,0|2,0,0]=4 5010 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100009879195_100000059175 [0,2,0,0,0,0|2,0,0]=4 5011 B9R0.24 COC(C)SC[C@@H](O)CF 62a_100009879195_100015614560 [0,2,0,0,0,0|2,0,0]=4 5012 B9R0.24 COC(C)SC[C@@H](O)CF 62a_100015614560_100009879195 [0,2,0,0,0,0|2,0,0]=4 5013 B9R0.24 COC(C)SC[C@@H](O)CO 62a_100009815848_100009879195 [0,2,0,0,0,0|1,0,0]=3 5014 B9R0.24 COC(C)SC[C@@H](O)CO 62a_100009879195_100009815848 [0,2,0,0,0,0|1,0,0]=3 5015 B9R0.24 CO[C@H](C)CNC(C)CO 2230a_100020591295_100012180447 [0,2,0,0,0,0|2,0,0]=4 5016 B9R0.24 C[C@@H](CO)CN[C@H](C)CO 2230a_100000737577_100000059175 [0,2,0,0,0,0|2,0,0]=4 5017 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100000059175_100016084084 [0,2,0,0,0,0|2,0,0]=4 5018 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100016084084_100000059175 [0,2,0,0,0,0|2,0,0]=4 5019 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [0,2,0,0,0,0|1,0,0]=3 5020 B9R0.24 C[C@H](CO)NC[C@@H](O)CF 2230a_100000737577_100015614560 [0,2,0,0,0,0|2,0,0]=4 5021 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [0,2,0,0,0,0|1,0,0]=3 5022 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [0,2,0,0,0,0|1,0,0]=3 5023 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [0,2,0,0,0,0|1,0,0]=3 5024 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100015614560_100016084084 [0,2,0,0,0,0|2,0,0]=4 5025 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100016084084_100015614560 [0,2,0,0,0,0|2,0,0]=4 5026 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [0,2,0,0,0,0|1,0,0]=3 5027 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [0,2,0,0,0,0|1,0,0]=3 5028 B9R0.24 N#CC(F)SCC(O)CO 62a_100011219619_200000117898 [0,2,0,0,0,0|1,0,1]=4 5029 B9R0.24 N#CC(F)SCC(O)CO 62a_200000117898_100011219619 [0,2,0,0,0,0|1,0,1]=4 5030 B9R0.24 N#CC(F)SC[C@@H](O)CO 62a_100009815848_200000117898 [0,2,0,0,0,0|1,0,1]=4 5031 B9R0.24 N#CC(F)SC[C@@H](O)CO 62a_200000117898_100009815848 [0,2,0,0,0,0|1,0,1]=4 5032 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,2,0,0,0,0|1,0,1]=4 5033 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,2,0,0,0,0|1,0,1]=4 5034 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,2,0,0,0,0|0,0,2]=4 5035 B9R0.46 C#CCCCNC(C)CO 34a_100000718082_100012180447 [0,2,0,0,0,0|1,0,1]=4 5036 B9R0.46 C#CCCCN[C@H](C)CO 2230a_100000737577_100000731252 [0,2,0,0,0,0|1,0,1]=4 5037 B9R0.46 C#CCCCOC(C)CO 34a_100000215630_100012180447 [0,2,0,0,0,0|1,0,1]=4 5038 B9R0.46 C#CCCCOC(C)CO 7a_100000215630_100012180447 [0,2,0,0,0,0|1,0,1]=4 5039 B9R0.46 C#CCCCSC(C)CO 62a_100012180447_100011215417 [0,2,0,0,0,0|1,0,1]=4 5040 B9R0.46 C#CCCCS[C@H](C)CO 62a_100011215417_100016084084 [0,2,0,0,0,0|1,0,1]=4 5041 B9R0.46 C#CCCCS[C@H](C)CO 62a_100016084084_100011215417 [0,2,0,0,0,0|1,0,1]=4 5042 B9R0.46 C#CCCNCC(C)CO 34a_100000744482_100000688953 [0,2,0,0,0,0|1,0,1]=4 5043 B9R0.46 C#CCCNCC(O)CC 2230a_100011218483_100000688953 [0,2,0,0,0,0|1,0,1]=4 5044 B9R0.46 C#CCCNCC(O)CC 34a_100000755551_100011218378 [0,2,0,0,0,0|1,0,1]=4 5045 B9R0.46 C#CCCNCC(O)CO 34a_100000755551_100011219619 [0,2,0,0,0,0|0,0,1]=3 5046 B9R0.46 C#CCCNC[C@@H](C)CO 34a_100000755551_100000059175 [0,2,0,0,0,0|1,0,1]=4 5047 B9R0.46 C#CCCNC[C@@H](F)CO 34a_100015665980_100000688953 [0,2,0,0,0,0|1,0,1]=4 5048 B9R0.46 C#CCCNC[C@@H](O)CF 34a_100000755551_100015614560 [0,2,0,0,0,0|1,0,1]=4 5049 B9R0.46 C#CCCNC[C@@H](O)CO 34a_100000755551_100009815848 [0,2,0,0,0,0|0,0,1]=3 5050 B9R0.46 C#CCCNC[C@H](O)CO 2230a_100020644852_100000688953 [0,2,0,0,0,0|0,0,1]=3 5051 B9R0.46 C#CCCOCC(O)CC 34a_100011215631_100011218378 [0,2,0,0,0,0|1,0,1]=4 5052 B9R0.46 C#CCCOCC(O)CO 34a_100011215631_100011219619 [0,2,0,0,0,0|0,0,1]=3 5053 B9R0.46 C#CCCOC[C@@H](C)CO 34a_100011215631_100000059175 [0,2,0,0,0,0|1,0,1]=4 5054 B9R0.46 C#CCCOC[C@@H](O)CF 34a_100011215631_100015614560 [0,2,0,0,0,0|1,0,1]=4 5055 B9R0.46 C#CCCOC[C@@H](O)CO 34a_100011215631_100009815848 [0,2,0,0,0,0|0,0,1]=3 5056 B9R0.46 C#CCCSCC(O)CC 62a_100000688953_100011218378 [0,2,0,0,0,0|1,0,1]=4 5057 B9R0.46 C#CCCSCC(O)CC 62a_100011218378_100000688953 [0,2,0,0,0,0|1,0,1]=4 5058 B9R0.46 C#CCCSCC(O)CO 62a_100000688953_100011219619 [0,2,0,0,0,0|0,0,1]=3 5059 B9R0.46 C#CCCSCC(O)CO 62a_100011219619_100000688953 [0,2,0,0,0,0|0,0,1]=3 5060 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000059175_100000688953 [0,2,0,0,0,0|1,0,1]=4 5061 B9R0.46 C#CCCSC[C@@H](C)CO 62a_100000688953_100000059175 [0,2,0,0,0,0|1,0,1]=4 5062 B9R0.46 C#CCCSC[C@@H](O)CF 62a_100000688953_100015614560 [0,2,0,0,0,0|1,0,1]=4 5063 B9R0.46 C#CCCSC[C@@H](O)CF 62a_100015614560_100000688953 [0,2,0,0,0,0|1,0,1]=4 5064 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100000688953_100009815848 [0,2,0,0,0,0|0,0,1]=3 5065 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100009815848_100000688953 [0,2,0,0,0,0|0,0,1]=3 5066 B9R0.46 C#CCNCCC(C)CO 2230a_106354213184_100000038162 [0,2,0,0,0,0|1,0,1]=4 5067 B9R0.46 C#CCNCCC(C)CO 34a_106354213184_100000184674 [0,2,0,0,0,0|1,0,1]=4 5068 B9R0.46 C/C=C/CCOC(C)CO 34a_100016278192_100012180447 [0,2,0,0,0,0|1,0,1]=4 5069 B9R0.46 C/C=C/CNCC(C)CO 34a_100000744482_100102629194 [0,2,0,0,0,0|1,0,1]=4 5070 B9R0.46 C/C=C/CNC[C@@H](F)CO 34a_100015665980_100102629194 [0,2,0,0,0,0|1,0,1]=4 5071 B9R0.46 C/C=C/COCC(O)CC 34a_100016270725_100011218378 [0,2,0,0,0,0|1,0,1]=4 5072 B9R0.46 C/C=C/COCC(O)CO 34a_100016270725_100011219619 [0,2,0,0,0,0|0,0,1]=3 5073 B9R0.46 C/C=C/COC[C@@H](C)CO 34a_100016270725_100000059175 [0,2,0,0,0,0|1,0,1]=4 5074 B9R0.46 C/C=C/COC[C@@H](O)CF 34a_100016270725_100015614560 [0,2,0,0,0,0|1,0,1]=4 5075 B9R0.46 C/C=C/COC[C@@H](O)CO 34a_100016270725_100009815848 [0,2,0,0,0,0|0,0,1]=3 5076 B9R0.46 C/C=C/CSCC(O)CC 62a_100011218378_100102629194 [0,2,0,0,0,0|1,0,1]=4 5077 B9R0.46 C/C=C/CSCC(O)CC 62a_100102629194_100011218378 [0,2,0,0,0,0|1,0,1]=4 5078 B9R0.46 C/C=C/CSCC(O)CO 62a_100011219619_100102629194 [0,2,0,0,0,0|0,0,1]=3 5079 B9R0.46 C/C=C/CSCC(O)CO 62a_100102629194_100011219619 [0,2,0,0,0,0|0,0,1]=3 5080 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100000059175_100102629194 [0,2,0,0,0,0|1,0,1]=4 5081 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100102629194_100000059175 [0,2,0,0,0,0|1,0,1]=4 5082 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100015614560_100102629194 [0,2,0,0,0,0|1,0,1]=4 5083 B9R0.46 C/C=C/CSC[C@@H](O)CF 62a_100102629194_100015614560 [0,2,0,0,0,0|1,0,1]=4 5084 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100009815848_100102629194 [0,2,0,0,0,0|0,0,1]=3 5085 B9R0.46 C/C=C/CSC[C@@H](O)CO 62a_100102629194_100009815848 [0,2,0,0,0,0|0,0,1]=3 5086 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,2,0,0,0,0|1,0,1]=4 5087 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,2,0,0,0,0|1,0,1]=4 5088 B9R0.46 C=CC(O)CNCCCF 2230a_100015189416_100000730141 [0,2,0,0,0,0|1,0,1]=4 5089 B9R0.46 C=CC(O)CNCCCF 34a_100015189416_100000730141 [0,2,0,0,0,0|1,0,1]=4 5090 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [0,2,0,0,0,0|1,0,1]=4 5091 B9R0.46 C=CC(O)CNCCSC 2230a_100020590264_100000730141 [0,2,0,0,0,0|1,0,1]=4 5092 B9R0.46 C=CC(O)COCCCBr 34a_100011217188_100000730141 [0,2,0,0,0,0|1,0,1]=4 5093 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,2,0,0,0,0|1,0,1]=4 5094 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,2,0,0,0,0|1,0,1]=4 5095 B9R0.46 C=CC(O)COCCCCl 34a_100000230001_100000730141 [0,2,0,0,0,0|1,0,1]=4 5096 B9R0.46 C=CC(O)COCCCF 34a_100000759539_100000730141 [0,2,0,0,0,0|1,0,1]=4 5097 B9R0.46 C=CC(O)COCCCN 34a_100000182051_100000730141 [0,2,0,0,0,0|1,0,1]=4 5098 B9R0.46 C=CC(O)COCCOC 34a_100000210237_100000730141 [0,2,0,0,0,0|1,0,1]=4 5099 B9R0.46 C=CC(O)COCCSC 34a_100000230434_100000730141 [0,2,0,0,0,0|1,0,1]=4 5100 B9R0.46 C=CC(O)COCCSC 7a_100000230434_100000730141 [0,2,0,0,0,0|1,0,1]=4 5101 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,2,0,0,0,0|1,0,1]=4 5102 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,2,0,0,0,0|1,0,1]=4 5103 B9R0.46 C=CC(O)CSCCCF 62a_100000730141_100011934791 [0,2,0,0,0,0|1,0,1]=4 5104 B9R0.46 C=CC(O)CSCCCF 62a_100011934791_100000730141 [0,2,0,0,0,0|1,0,1]=4 5105 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,2,0,0,0,0|1,0,1]=4 5106 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,2,0,0,0,0|1,0,1]=4 5107 B9R0.46 C=CC(O)CSCCOC 62a_100000233755_100000730141 [0,2,0,0,0,0|1,0,1]=4 5108 B9R0.46 C=CC(O)CSCCOC 62a_100000730141_100000233755 [0,2,0,0,0,0|1,0,1]=4 5109 B9R0.46 C=CC(O)CSCCSC 62a_100000212216_100000730141 [0,2,0,0,0,0|1,0,1]=4 5110 B9R0.46 C=CC(O)CSCCSC 62a_100000730141_100000751147 [0,2,0,0,0,0|1,0,1]=4 5111 B9R0.46 C=CC(O)CSCOCC 62a_100000730141_100000739092 [0,2,0,0,0,0|1,0,1]=4 5112 B9R0.46 C=CC(O)CSCOCC 62a_100000739092_100000730141 [0,2,0,0,0,0|1,0,1]=4 5113 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,2,0,0,0,0|0,0,2]=4 5114 B9R0.46 C=CCCCNC(C)CO 2230a_100000700776_100012180447 [0,2,0,0,0,0|1,0,1]=4 5115 B9R0.46 C=CCCCNC(C)CO 34a_100000700776_100012180447 [0,2,0,0,0,0|1,0,1]=4 5116 B9R0.46 C=CCCCN[C@H](C)CO 2230a_100000737577_100011713584 [0,2,0,0,0,0|1,0,1]=4 5117 B9R0.46 C=CCCCOC(C)CO 34a_100000758997_100012180447 [0,2,0,0,0,0|1,0,1]=4 5118 B9R0.46 C=CCCCOC(C)CO 7a_100000758997_100012180447 [0,2,0,0,0,0|1,0,1]=4 5119 B9R0.46 C=CCCCSC(C)CO 62a_100012180447_100000757094 [0,2,0,0,0,0|1,0,1]=4 5120 B9R0.46 C=CCCCS[C@H](C)CO 62a_100011713584_100016084084 [0,2,0,0,0,0|1,0,1]=4 5121 B9R0.46 C=CCCCS[C@H](C)CO 62a_100016084084_100000757094 [0,2,0,0,0,0|1,0,1]=4 5122 B9R0.46 C=CCCNCC(C)CO 34a_100000744482_100000754431 [0,2,0,0,0,0|1,0,1]=4 5123 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [0,2,0,0,0,0|1,0,1]=4 5124 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [0,2,0,0,0,0|1,0,1]=4 5125 B9R0.46 C=CCCNCC(O)CO 2230a_100015191253_100011219619 [0,2,0,0,0,0|0,0,1]=3 5126 B9R0.46 C=CCCNC[C@@H](C)CO 2230a_100015191253_100000059175 [0,2,0,0,0,0|1,0,1]=4 5127 B9R0.46 C=CCCNC[C@@H](F)CO 34a_100015665980_100000754431 [0,2,0,0,0,0|1,0,1]=4 5128 B9R0.46 C=CCCNC[C@@H](O)CF 2230a_100015191253_100015614560 [0,2,0,0,0,0|1,0,1]=4 5129 B9R0.46 C=CCCNC[C@@H](O)CO 2230a_100015191253_100009815848 [0,2,0,0,0,0|0,0,1]=3 5130 B9R0.46 C=CCCNC[C@H](O)CO 2230a_100020644852_100000754431 [0,2,0,0,0,0|0,0,1]=3 5131 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [0,2,0,0,0,0|1,0,1]=4 5132 B9R0.46 C=CCCOCC(O)CO 34a_100011205117_100011219619 [0,2,0,0,0,0|0,0,1]=3 5133 B9R0.46 C=CCCOC[C@@H](C)CO 34a_100011205117_100000059175 [0,2,0,0,0,0|1,0,1]=4 5134 B9R0.46 C=CCCOC[C@@H](O)CF 34a_100011205117_100015614560 [0,2,0,0,0,0|1,0,1]=4 5135 B9R0.46 C=CCCOC[C@@H](O)CO 34a_100011205117_100009815848 [0,2,0,0,0,0|0,0,1]=3 5136 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [0,2,0,0,0,0|1,0,1]=4 5137 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [0,2,0,0,0,0|1,0,1]=4 5138 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [0,2,0,0,0,0|0,0,1]=3 5139 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [0,2,0,0,0,0|0,0,1]=3 5140 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000059175_100000754431 [0,2,0,0,0,0|1,0,1]=4 5141 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000754431_100000059175 [0,2,0,0,0,0|1,0,1]=4 5142 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100000754431_100015614560 [0,2,0,0,0,0|1,0,1]=4 5143 B9R0.46 C=CCCSC[C@@H](O)CF 62a_100015614560_100000754431 [0,2,0,0,0,0|1,0,1]=4 5144 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [0,2,0,0,0,0|0,0,1]=3 5145 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [0,2,0,0,0,0|0,0,1]=3 5146 B9R0.46 C=CCNCCC(C)CO 2230a_106354213184_100000210623 [0,2,0,0,0,0|1,0,1]=4 5147 B9R0.46 C=CCNCCC(C)CO 34a_106354213184_100015514636 [0,2,0,0,0,0|1,0,1]=4 5148 B9R0.46 CC#CCCOC(C)CO 34a_100000750427_100012180447 [0,2,0,0,0,0|1,0,1]=4 5149 B9R0.46 CC#CCNCC(C)CO 34a_100000744482_100000748600 [0,2,0,0,0,0|1,0,1]=4 5150 B9R0.46 CC#CCNCC(O)CC 2230a_100000685387_100011218378 [0,2,0,0,0,0|1,0,1]=4 5151 B9R0.46 CC#CCNCC(O)CC 2230a_100011218483_100000748600 [0,2,0,0,0,0|1,0,1]=4 5152 B9R0.46 CC#CCNCC(O)CC 34a_100000685387_100011218378 [0,2,0,0,0,0|1,0,1]=4 5153 B9R0.46 CC#CCNCC(O)CO 2230a_100000685387_100011219619 [0,2,0,0,0,0|0,0,1]=3 5154 B9R0.46 CC#CCNCC(O)CO 34a_100000685387_100011219619 [0,2,0,0,0,0|0,0,1]=3 5155 B9R0.46 CC#CCNC[C@@H](C)CO 2230a_100000685387_100000059175 [0,2,0,0,0,0|1,0,1]=4 5156 B9R0.46 CC#CCNC[C@@H](C)CO 34a_100000685387_100000059175 [0,2,0,0,0,0|1,0,1]=4 5157 B9R0.46 CC#CCNC[C@@H](F)CO 34a_100015665980_100000748600 [0,2,0,0,0,0|1,0,1]=4 5158 B9R0.46 CC#CCNC[C@@H](O)CF 2230a_100000685387_100015614560 [0,2,0,0,0,0|1,0,1]=4 5159 B9R0.46 CC#CCNC[C@@H](O)CF 34a_100000685387_100015614560 [0,2,0,0,0,0|1,0,1]=4 5160 B9R0.46 CC#CCNC[C@@H](O)CO 2230a_100000685387_100009815848 [0,2,0,0,0,0|0,0,1]=3 5161 B9R0.46 CC#CCNC[C@@H](O)CO 34a_100000685387_100009815848 [0,2,0,0,0,0|0,0,1]=3 5162 B9R0.46 CC#CCNC[C@H](O)CO 2230a_100020644852_100000748600 [0,2,0,0,0,0|0,0,1]=3 5163 B9R0.46 CC#CCOCC(O)CC 34a_100000761923_100011218378 [0,2,0,0,0,0|1,0,1]=4 5164 B9R0.46 CC#CCOCC(O)CO 34a_100000761923_100011219619 [0,2,0,0,0,0|0,0,1]=3 5165 B9R0.46 CC#CCOC[C@@H](C)CO 34a_100000761923_100000059175 [0,2,0,0,0,0|1,0,1]=4 5166 B9R0.46 CC#CCOC[C@@H](O)CF 34a_100000761923_100015614560 [0,2,0,0,0,0|1,0,1]=4 5167 B9R0.46 CC#CCOC[C@@H](O)CO 34a_100000761923_100009815848 [0,2,0,0,0,0|0,0,1]=3 5168 B9R0.46 CC#CCSCC(O)CC 62a_100000748600_100011218378 [0,2,0,0,0,0|1,0,1]=4 5169 B9R0.46 CC#CCSCC(O)CC 62a_100011218378_100000748600 [0,2,0,0,0,0|1,0,1]=4 5170 B9R0.46 CC#CCSCC(O)CO 62a_100000748600_100011219619 [0,2,0,0,0,0|0,0,1]=3 5171 B9R0.46 CC#CCSCC(O)CO 62a_100011219619_100000748600 [0,2,0,0,0,0|0,0,1]=3 5172 B9R0.46 CC#CCSC[C@@H](C)CO 62a_100000059175_100000748600 [0,2,0,0,0,0|1,0,1]=4 5173 B9R0.46 CC#CCSC[C@@H](C)CO 62a_100000748600_100000059175 [0,2,0,0,0,0|1,0,1]=4 5174 B9R0.46 CC#CCSC[C@@H](O)CF 62a_100000748600_100015614560 [0,2,0,0,0,0|1,0,1]=4 5175 B9R0.46 CC#CCSC[C@@H](O)CF 62a_100015614560_100000748600 [0,2,0,0,0,0|1,0,1]=4 5176 B9R0.46 CC#CCSC[C@@H](O)CO 62a_100000748600_100009815848 [0,2,0,0,0,0|0,0,1]=3 5177 B9R0.46 CC#CCSC[C@@H](O)CO 62a_100009815848_100000748600 [0,2,0,0,0,0|0,0,1]=3 5178 B9R0.46 CC(CF)OCCCCF 34a_100016041109_100000729493 [0,2,0,0,0,0|2,0,0]=4 5179 B9R0.46 CC(CF)OCCCCF 7a_100016041109_100000729493 [0,2,0,0,0,0|2,0,0]=4 5180 B9R0.46 CC(CF)OCCCCO 34a_100016041109_100011216708 [0,2,0,0,0,0|2,0,0]=4 5181 B9R0.46 CC(CF)OCCCCO 7a_100016041109_100000210776 [0,2,0,0,0,0|2,0,0]=4 5182 B9R0.46 CC(CN)COCCCF 34a_100000744482_100011934791 [0,2,0,0,0,0|2,0,0]=4 5183 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [0,2,0,0,0,0|2,0,0]=4 5184 B9R0.46 CC(CN)OCCCCF 34a_100000210904_100000729493 [0,2,0,0,0,0|2,0,0]=4 5185 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [0,2,0,0,0,0|2,0,0]=4 5186 B9R0.46 CC(CO)CCNCC#N 2230a_106354213184_100011215382 [0,2,0,0,0,0|1,0,1]=4 5187 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [0,2,0,0,0,0|1,0,1]=4 5188 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [0,2,0,0,0,0|1,0,1]=4 5189 B9R0.46 CC(CO)CCNCCF 2230a_106354213184_100011217306 [0,2,0,0,0,0|1,0,0]=3 5190 B9R0.46 CC(CO)CCNCCF 34a_106354213184_100011217306 [0,2,0,0,0,0|1,0,0]=3 5191 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [0,2,0,0,0,0|1,0,0]=3 5192 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [0,2,0,0,0,0|1,0,0]=3 5193 B9R0.46 CC(CO)CNCCCF 34a_100000744482_100011934791 [0,2,0,0,0,0|1,0,0]=3 5194 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [0,2,0,0,0,0|1,0,0]=3 5195 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [0,2,0,0,0,0|1,0,0]=3 5196 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [0,2,0,0,0,0|1,0,0]=3 5197 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [0,2,0,0,0,0|1,0,0]=3 5198 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [0,2,0,0,0,0|1,0,0]=3 5199 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [0,2,0,0,0,0|1,0,0]=3 5200 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [0,2,0,0,0,0|1,0,0]=3 5201 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [0,2,0,0,0,0|1,0,0]=3 5202 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [0,2,0,0,0,0|1,0,0]=3 5203 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [0,2,0,0,0,0|1,0,0]=3 5204 B9R0.46 CC(CO)SCCCC#N 62a_100012180447_100000687738 [0,2,0,0,0,0|1,0,1]=4 5205 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [0,2,0,0,0,0|1,0,1]=4 5206 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [0,2,0,0,0,0|1,0,0]=3 5207 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,2,0,0,0,0|1,0,0]=3 5208 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,2,0,0,0,0|0,0,2]=4 5209 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [0,2,0,0,0,0|1,0,1]=4 5210 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [0,2,0,0,0,0|1,0,1]=4 5211 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [0,2,0,0,0,0|1,0,1]=4 5212 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [0,2,0,0,0,0|1,0,1]=4 5213 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [0,2,0,0,0,0|1,0,1]=4 5214 B9R0.46 CC=CCNCC(C)CO 34a_100000744482_100000070051 [0,2,0,0,0,0|1,0,1]=4 5215 B9R0.46 CC=CCNCC(O)CC 2230a_100011218483_100000070051 [0,2,0,0,0,0|1,0,1]=4 5216 B9R0.46 CC=CCNC[C@@H](F)CO 34a_100015665980_100000070051 [0,2,0,0,0,0|1,0,1]=4 5217 B9R0.46 CC=CCNC[C@H](O)CO 2230a_100020644852_100000070051 [0,2,0,0,0,0|0,0,1]=3 5218 B9R0.46 CC=CCSCC(O)CC 62a_100000070051_100011218378 [0,2,0,0,0,0|1,0,1]=4 5219 B9R0.46 CC=CCSCC(O)CC 62a_100011218378_100000070051 [0,2,0,0,0,0|1,0,1]=4 5220 B9R0.46 CC=CCSCC(O)CO 62a_100000070051_100011219619 [0,2,0,0,0,0|0,0,1]=3 5221 B9R0.46 CC=CCSCC(O)CO 62a_100011219619_100000070051 [0,2,0,0,0,0|0,0,1]=3 5222 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000059175_100000070051 [0,2,0,0,0,0|1,0,1]=4 5223 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000070051_100000059175 [0,2,0,0,0,0|1,0,1]=4 5224 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100000070051_100015614560 [0,2,0,0,0,0|1,0,1]=4 5225 B9R0.46 CC=CCSC[C@@H](O)CF 62a_100015614560_100000070051 [0,2,0,0,0,0|1,0,1]=4 5226 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100000070051_100009815848 [0,2,0,0,0,0|0,0,1]=3 5227 B9R0.46 CC=CCSC[C@@H](O)CO 62a_100009815848_100000070051 [0,2,0,0,0,0|0,0,1]=3 5228 B9R0.46 CCC#CCN[C@H](C)CO 2230a_100000737577_100009813939 [0,2,0,0,0,0|1,0,1]=4 5229 B9R0.46 CCC#CCOC(C)CO 34a_100000032950_100012180447 [0,2,0,0,0,0|1,0,1]=4 5230 B9R0.46 CCC#CCSC(C)CO 62a_100012180447_100009813939 [0,2,0,0,0,0|1,0,1]=4 5231 B9R0.46 CCC#CCS[C@H](C)CO 62a_100009813939_100016084084 [0,2,0,0,0,0|1,0,1]=4 5232 B9R0.46 CCC#CCS[C@H](C)CO 62a_100016084084_100009813939 [0,2,0,0,0,0|1,0,1]=4 5233 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,2,0,0,0,0|2,0,0]=4 5234 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [0,2,0,0,0,0|2,0,0]=4 5235 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,2,0,0,0,0|2,0,0]=4 5236 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [0,2,0,0,0,0|2,0,0]=4 5237 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [0,2,0,0,0,0|2,0,0]=4 5238 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,2,0,0,0,0|2,0,0]=4 5239 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,2,0,0,0,0|2,0,0]=4 5240 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [0,2,0,0,0,0|2,0,0]=4 5241 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [0,2,0,0,0,0|2,0,0]=4 5242 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [0,2,0,0,0,0|2,0,0]=4 5243 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [0,2,0,0,0,0|2,0,0]=4 5244 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,2,0,0,0,0|2,0,0]=4 5245 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,2,0,0,0,0|2,0,0]=4 5246 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,2,0,0,0,0|2,0,0]=4 5247 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,2,0,0,0,0|2,0,0]=4 5248 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,2,0,0,0,0|2,0,0]=4 5249 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,2,0,0,0,0|2,0,0]=4 5250 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,2,0,0,0,0|2,0,0]=4 5251 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,2,0,0,0,0|2,0,0]=4 5252 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [0,2,0,0,0,0|2,0,0]=4 5253 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [0,2,0,0,0,0|2,0,0]=4 5254 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [0,2,0,0,0,0|2,0,0]=4 5255 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [0,2,0,0,0,0|2,0,0]=4 5256 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [0,2,0,0,0,0|2,0,0]=4 5257 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,2,0,0,0,0|2,0,0]=4 5258 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,2,0,0,0,0|2,0,0]=4 5259 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [0,2,0,0,0,0|2,0,0]=4 5260 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [0,2,0,0,0,0|2,0,0]=4 5261 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,2,0,0,0,0|2,0,0]=4 5262 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,2,0,0,0,0|2,0,0]=4 5263 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,2,0,0,0,0|2,0,0]=4 5264 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,2,0,0,0,0|2,0,0]=4 5265 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,2,0,0,0,0|2,0,0]=4 5266 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,2,0,0,0,0|2,0,0]=4 5267 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [0,2,0,0,0,0|2,0,0]=4 5268 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,2,0,0,0,0|2,0,0]=4 5269 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,2,0,0,0,0|2,0,0]=4 5270 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,2,0,0,0,0|2,0,0]=4 5271 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,2,0,0,0,0|2,0,0]=4 5272 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,2,0,0,0,0|2,0,0]=4 5273 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,2,0,0,0,0|2,0,0]=4 5274 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,2,0,0,0,0|2,0,0]=4 5275 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,2,0,0,0,0|2,0,0]=4 5276 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,2,0,0,0,0|2,0,0]=4 5277 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,2,0,0,0,0|2,0,0]=4 5278 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,2,0,0,0,0|2,0,0]=4 5279 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,2,0,0,0,0|2,0,0]=4 5280 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,2,0,0,0,0|2,0,0]=4 5281 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,2,0,0,0,0|2,0,0]=4 5282 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,2,0,0,0,0|2,0,0]=4 5283 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,2,0,0,0,0|2,0,0]=4 5284 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,2,0,0,0,0|2,0,0]=4 5285 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,2,0,0,0,0|2,0,0]=4 5286 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,2,0,0,0,0|2,0,0]=4 5287 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,2,0,0,0,0|2,0,0]=4 5288 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [0,2,0,0,0,0|2,0,0]=4 5289 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [0,2,0,0,0,0|2,0,0]=4 5290 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,2,0,0,0,0|2,0,0]=4 5291 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,2,0,0,0,0|2,0,0]=4 5292 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,2,0,0,0,0|2,0,0]=4 5293 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,2,0,0,0,0|2,0,0]=4 5294 B9R0.46 CCC(O)CNCCC#N 2230a_100011218483_100011215226 [0,2,0,0,0,0|1,0,1]=4 5295 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,2,0,0,0,0|1,0,0]=3 5296 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,2,0,0,0,0|1,0,0]=3 5297 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,2,0,0,0,0|1,0,0]=3 5298 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,2,0,0,0,0|1,0,0]=3 5299 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,2,0,0,0,0|1,0,0]=3 5300 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,2,0,0,0,0|1,0,0]=3 5301 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,2,0,0,0,0|1,0,0]=3 5302 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,2,0,0,0,0|1,0,0]=3 5303 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,2,0,0,0,0|1,0,0]=3 5304 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,2,0,0,0,0|1,0,0]=3 5305 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,2,0,0,0,0|1,0,0]=3 5306 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,2,0,0,0,0|1,0,0]=3 5307 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,2,0,0,0,0|1,0,0]=3 5308 B9R0.46 CCC(O)COCCON 34a_100000700252_100011218378 [0,2,0,0,0,0|2,0,0]=4 5309 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,2,0,0,0,0|1,0,0]=3 5310 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,2,0,0,0,0|1,0,0]=3 5311 B9R0.46 CCC(O)CSCCC#N 62a_100011215226_100011218378 [0,2,0,0,0,0|1,0,1]=4 5312 B9R0.46 CCC(O)CSCCC#N 62a_100011218378_100011215226 [0,2,0,0,0,0|1,0,1]=4 5313 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,2,0,0,0,0|1,0,0]=3 5314 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,2,0,0,0,0|1,0,0]=3 5315 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,2,0,0,0,0|1,0,0]=3 5316 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,2,0,0,0,0|1,0,0]=3 5317 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,2,0,0,0,0|1,0,0]=3 5318 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,2,0,0,0,0|1,0,0]=3 5319 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,2,0,0,0,0|1,0,0]=3 5320 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,2,0,0,0,0|1,0,0]=3 5321 B9R0.46 CCC=NNCC(O)CC 4a_100015206393_100000210100 [0,2,0,0,0,0|1,0,1]=4 5322 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,2,0,0,0,0|0,0,2]=4 5323 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,2,0,0,0,0|0,0,2]=4 5324 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,2,0,0,0,0|0,0,2]=4 5325 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,2,0,0,0,0|2,0,0]=4 5326 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,2,0,0,0,0|2,0,0]=4 5327 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,2,0,0,0,0|1,0,0]=3 5328 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,2,0,0,0,0|1,0,0]=3 5329 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,2,0,0,0,0|2,0,0]=4 5330 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,2,0,0,0,0|2,0,0]=4 5331 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,2,0,0,0,0|2,0,0]=4 5332 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,2,0,0,0,0|2,0,0]=4 5333 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,2,0,0,0,0|2,0,0]=4 5334 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,2,0,0,0,0|2,0,0]=4 5335 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,2,0,0,0,0|1,0,0]=3 5336 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,2,0,0,0,0|1,0,0]=3 5337 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,2,0,0,0,0|2,0,0]=4 5338 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,2,0,0,0,0|2,0,0]=4 5339 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,2,0,0,0,0|1,0,0]=3 5340 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,2,0,0,0,0|1,0,0]=3 5341 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,2,0,0,0,0|1,0,0]=3 5342 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,2,0,0,0,0|2,0,0]=4 5343 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,2,0,0,0,0|2,0,0]=4 5344 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,2,0,0,0,0|2,0,0]=4 5345 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,2,0,0,0,0|2,0,0]=4 5346 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,2,0,0,0,0|1,0,0]=3 5347 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,2,0,0,0,0|1,0,0]=3 5348 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,2,0,0,0,0|1,0,0]=3 5349 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,2,0,0,0,0|1,0,0]=3 5350 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,2,0,0,0,0|0,0,0]=2 5351 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,2,0,0,0,0|0,0,0]=2 5352 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,2,0,0,0,0|2,0,0]=4 5353 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,2,0,0,0,0|2,0,0]=4 5354 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,2,0,0,0,0|1,0,0]=3 5355 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,2,0,0,0,0|1,0,0]=3 5356 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,2,0,0,0,0|1,0,0]=3 5357 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,2,0,0,0,0|1,0,0]=3 5358 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,2,0,0,0,0|1,0,0]=3 5359 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,2,0,0,0,0|0,0,0]=2 5360 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,2,0,0,0,0|0,0,0]=2 5361 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,2,0,0,0,0|0,0,0]=2 5362 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,2,0,0,0,0|1,0,1]=4 5363 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,2,0,0,0,0|0,0,2]=4 5364 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,2,0,0,0,0|0,0,2]=4 5365 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,2,0,0,0,0|2,0,0]=4 5366 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,2,0,0,0,0|2,0,0]=4 5367 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,2,0,0,0,0|2,0,0]=4 5368 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,2,0,0,0,0|2,0,0]=4 5369 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,2,0,0,0,0|1,0,0]=3 5370 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,2,0,0,0,0|1,0,0]=3 5371 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,2,0,0,0,0|0,0,0]=2 5372 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,2,0,0,0,0|0,0,0]=2 5373 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,2,0,0,0,0|2,0,0]=4 5374 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,2,0,0,0,0|2,0,0]=4 5375 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,2,0,0,0,0|2,0,0]=4 5376 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,2,0,0,0,0|1,0,0]=3 5377 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,2,0,0,0,0|1,0,0]=3 5378 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,2,0,0,0,0|1,0,0]=3 5379 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,2,0,0,0,0|1,0,0]=3 5380 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,2,0,0,0,0|0,0,0]=2 5381 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,2,0,0,0,0|0,0,0]=2 5382 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,2,0,0,0,0|2,0,0]=4 5383 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,2,0,0,0,0|2,0,0]=4 5384 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,2,0,0,0,0|2,0,0]=4 5385 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,2,0,0,0,0|1,0,0]=3 5386 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,2,0,0,0,0|1,0,0]=3 5387 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,2,0,0,0,0|0,0,0]=2 5388 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,2,0,0,0,0|0,0,0]=2 5389 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,2,0,0,0,0|2,0,0]=4 5390 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,2,0,0,0,0|2,0,0]=4 5391 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,2,0,0,0,0|1,0,0]=3 5392 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,2,0,0,0,0|1,0,0]=3 5393 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,2,0,0,0,0|1,0,0]=3 5394 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,2,0,0,0,0|1,0,0]=3 5395 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,2,0,0,0,0|0,0,0]=2 5396 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,2,0,0,0,0|0,0,0]=2 5397 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,2,0,0,0,0|2,0,0]=4 5398 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,2,0,0,0,0|1,0,0]=3 5399 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,2,0,0,0,0|1,0,0]=3 5400 B9R0.46 CCCNN=CC(O)CO 4a_100000740057_100000033539 [0,2,0,0,0,0|0,0,1]=3 5401 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,2,0,0,0,0|0,0,2]=4 5402 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,2,0,0,0,0|2,0,0]=4 5403 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,2,0,0,0,0|0,0,2]=4 5404 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,2,0,0,0,0|2,0,0]=4 5405 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,2,0,0,0,0|2,0,0]=4 5406 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,2,0,0,0,0|0,0,2]=4 5407 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,2,0,0,0,0|0,0,2]=4 5408 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,2,0,0,0,0|2,0,0]=4 5409 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,2,0,0,0,0|2,0,0]=4 5410 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,2,0,0,0,0|2,0,0]=4 5411 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [0,2,0,0,0,0|1,0,0]=3 5412 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [0,2,0,0,0,0|1,0,0]=3 5413 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [0,2,0,0,0,0|1,0,0]=3 5414 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,2,0,0,0,0|2,0,0]=4 5415 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,2,0,0,0,0|2,0,0]=4 5416 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,2,0,0,0,0|2,0,0]=4 5417 B9R0.46 CCOCCOC(C)CF 34a_100016041109_100000210147 [0,2,0,0,0,0|2,0,0]=4 5418 B9R0.46 CCOCCOC(C)CF 7a_100016041109_100011215890 [0,2,0,0,0,0|2,0,0]=4 5419 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [0,2,0,0,0,0|2,0,0]=4 5420 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [0,2,0,0,0,0|1,0,0]=3 5421 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [0,2,0,0,0,0|1,0,0]=3 5422 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,2,0,0,0,0|2,0,0]=4 5423 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,2,0,0,0,0|2,0,0]=4 5424 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [0,2,0,0,0,0|1,0,0]=3 5425 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [0,2,0,0,0,0|1,0,0]=3 5426 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [0,2,0,0,0,0|1,0,0]=3 5427 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,2,0,0,0,0|2,0,0]=4 5428 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,2,0,0,0,0|2,0,0]=4 5429 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [0,2,0,0,0,0|1,0,0]=3 5430 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [0,2,0,0,0,0|1,0,0]=3 5431 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,2,0,0,0,0|0,0,0]=2 5432 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,2,0,0,0,0|0,0,0]=2 5433 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,2,0,0,0,0|2,0,0]=4 5434 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,2,0,0,0,0|2,0,0]=4 5435 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [0,2,0,0,0,0|1,0,0]=3 5436 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [0,2,0,0,0,0|1,0,0]=3 5437 B9R0.46 CCOCSC[C@@H](O)CF 62a_100000739092_100015614560 [0,2,0,0,0,0|1,0,0]=3 5438 B9R0.46 CCOCSC[C@@H](O)CF 62a_100015614560_100000739092 [0,2,0,0,0,0|1,0,0]=3 5439 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,2,0,0,0,0|0,0,0]=2 5440 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,2,0,0,0,0|0,0,0]=2 5441 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,2,0,0,0,0|0,0,2]=4 5442 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,2,0,0,0,0|0,0,2]=4 5443 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [0,2,0,0,0,0|2,0,0]=4 5444 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [0,2,0,0,0,0|2,0,0]=4 5445 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [0,2,0,0,0,0|1,0,0]=3 5446 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [0,2,0,0,0,0|1,0,0]=3 5447 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [0,2,0,0,0,0|2,0,0]=4 5448 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [0,2,0,0,0,0|2,0,0]=4 5449 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [0,2,0,0,0,0|2,0,0]=4 5450 B9R0.46 CCSCCOC(C)CF 34a_100016041109_100000757381 [0,2,0,0,0,0|2,0,0]=4 5451 B9R0.46 CCSCCOC(C)CF 7a_100016041109_100000757381 [0,2,0,0,0,0|2,0,0]=4 5452 B9R0.46 CCSCCOC(C)CN 34a_100000210904_100000757381 [0,2,0,0,0,0|2,0,0]=4 5453 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [0,2,0,0,0,0|1,0,0]=3 5454 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [0,2,0,0,0,0|1,0,0]=3 5455 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [0,2,0,0,0,0|2,0,0]=4 5456 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [0,2,0,0,0,0|2,0,0]=4 5457 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [0,2,0,0,0,0|1,0,0]=3 5458 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [0,2,0,0,0,0|1,0,0]=3 5459 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [0,2,0,0,0,0|1,0,0]=3 5460 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [0,2,0,0,0,0|2,0,0]=4 5461 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [0,2,0,0,0,0|2,0,0]=4 5462 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,2,0,0,0,0|2,0,0]=4 5463 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [0,2,0,0,0,0|2,0,0]=4 5464 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [0,2,0,0,0,0|2,0,0]=4 5465 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [0,2,0,0,0,0|2,0,0]=4 5466 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [0,2,0,0,0,0|2,0,0]=4 5467 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [0,2,0,0,0,0|2,0,0]=4 5468 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [0,2,0,0,0,0|2,0,0]=4 5469 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,2,0,0,0,0|2,0,0]=4 5470 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [0,2,0,0,0,0|2,0,0]=4 5471 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [0,2,0,0,0,0|2,0,0]=4 5472 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [0,2,0,0,0,0|2,0,0]=4 5473 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [0,2,0,0,0,0|2,0,0]=4 5474 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [0,2,0,0,0,0|2,0,0]=4 5475 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [0,2,0,0,0,0|2,0,0]=4 5476 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [0,2,0,0,0,0|2,0,0]=4 5477 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,2,0,0,0,0|2,0,0]=4 5478 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,2,0,0,0,0|2,0,0]=4 5479 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,2,0,0,0,0|2,0,0]=4 5480 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,2,0,0,0,0|2,0,0]=4 5481 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,2,0,0,0,0|2,0,0]=4 5482 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,2,0,0,0,0|2,0,0]=4 5483 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [0,2,0,0,0,0|1,0,0]=3 5484 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,2,0,0,0,0|0,0,2]=4 5485 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,2,0,0,0,0|0,0,2]=4 5486 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,2,0,0,0,0|0,0,2]=4 5487 B9R0.46 COCCCNC(C)CO 34a_100150723488_100012180447 [0,2,0,0,0,0|1,0,0]=3 5488 B9R0.46 COCCCN[C@H](C)CO 2230a_100000737577_100000740836 [0,2,0,0,0,0|1,0,0]=3 5489 B9R0.46 COCCCOC(C)CF 34a_100016041109_100000740836 [0,2,0,0,0,0|2,0,0]=4 5490 B9R0.46 COCCCOC(C)CF 7a_100016041109_100000740836 [0,2,0,0,0,0|2,0,0]=4 5491 B9R0.46 COCCCOC(C)CN 34a_100000210904_100000740836 [0,2,0,0,0,0|2,0,0]=4 5492 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [0,2,0,0,0,0|1,0,0]=3 5493 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [0,2,0,0,0,0|1,0,0]=3 5494 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [0,2,0,0,0,0|1,0,0]=3 5495 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [0,2,0,0,0,0|1,0,0]=3 5496 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [0,2,0,0,0,0|1,0,0]=3 5497 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,2,0,0,0,0|0,0,0]=2 5498 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [0,2,0,0,0,0|1,0,0]=3 5499 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [0,2,0,0,0,0|1,0,0]=3 5500 B9R0.46 COCCNC[C@@H](O)CF 2230a_100000209980_100015614560 [0,2,0,0,0,0|1,0,0]=3 5501 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,2,0,0,0,0|0,0,0]=2 5502 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,2,0,0,0,0|0,0,0]=2 5503 B9R0.46 COCCOCC(C)CN 34a_100000744482_100011201679 [0,2,0,0,0,0|2,0,0]=4 5504 B9R0.46 COCCOCC(Cl)CCl 34a_100000033668_100011201679 [0,2,0,0,0,0|2,0,0]=4 5505 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,2,0,0,0,0|0,0,0]=2 5506 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [0,2,0,0,0,0|1,0,0]=3 5507 B9R0.46 COCCOC[C@@H](O)CF 34a_100000210237_100015614560 [0,2,0,0,0,0|1,0,0]=3 5508 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,2,0,0,0,0|0,0,0]=2 5509 B9R0.46 COCCOC[C@H](F)CN 34a_100015665980_100011201679 [0,2,0,0,0,0|2,0,0]=4 5510 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,2,0,0,0,0|0,0,0]=2 5511 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,2,0,0,0,0|0,0,0]=2 5512 B9R0.46 COCCSC[C@@H](C)CO 62a_100000059175_100000233755 [0,2,0,0,0,0|1,0,0]=3 5513 B9R0.46 COCCSC[C@@H](C)CO 62a_100000233755_100000059175 [0,2,0,0,0,0|1,0,0]=3 5514 B9R0.46 COCCSC[C@@H](O)CF 62a_100000233755_100015614560 [0,2,0,0,0,0|1,0,0]=3 5515 B9R0.46 COCCSC[C@@H](O)CF 62a_100015614560_100000233755 [0,2,0,0,0,0|1,0,0]=3 5516 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,2,0,0,0,0|0,0,0]=2 5517 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,2,0,0,0,0|0,0,0]=2 5518 B9R0.46 COCNCCC(C)CO 2230a_106354213184_100000766300 [0,2,0,0,0,0|1,0,0]=3 5519 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,2,0,0,0,0|0,0,2]=4 5520 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,2,0,0,0,0|0,0,2]=4 5521 B9R0.46 CSCCCNC(C)CO 2230a_100000749238_100012180447 [0,2,0,0,0,0|1,0,0]=3 5522 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [0,2,0,0,0,0|1,0,0]=3 5523 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [0,2,0,0,0,0|1,0,0]=3 5524 B9R0.46 CSCCNCC(C)CO 34a_100000744482_100000212216 [0,2,0,0,0,0|1,0,0]=3 5525 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [0,2,0,0,0,0|0,0,0]=2 5526 B9R0.46 CSCCNC[C@@H](C)CO 2230a_100020590264_100000059175 [0,2,0,0,0,0|1,0,0]=3 5527 B9R0.46 CSCCNC[C@@H](F)CO 34a_100015665980_100000212216 [0,2,0,0,0,0|1,0,0]=3 5528 B9R0.46 CSCCNC[C@@H](O)CF 2230a_100020590264_100015614560 [0,2,0,0,0,0|1,0,0]=3 5529 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [0,2,0,0,0,0|0,0,0]=2 5530 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [0,2,0,0,0,0|0,0,0]=2 5531 B9R0.46 CSCCOCC(C)CN 34a_100000744482_100000212216 [0,2,0,0,0,0|2,0,0]=4 5532 B9R0.46 CSCCOCC(Cl)CCl 34a_100000033668_100000212216 [0,2,0,0,0,0|2,0,0]=4 5533 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [0,2,0,0,0,0|0,0,0]=2 5534 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [0,2,0,0,0,0|0,0,0]=2 5535 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [0,2,0,0,0,0|1,0,0]=3 5536 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [0,2,0,0,0,0|1,0,0]=3 5537 B9R0.46 CSCCOC[C@@H](O)CF 34a_100000230434_100015614560 [0,2,0,0,0,0|1,0,0]=3 5538 B9R0.46 CSCCOC[C@@H](O)CF 7a_100000230434_100015614560 [0,2,0,0,0,0|1,0,0]=3 5539 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [0,2,0,0,0,0|0,0,0]=2 5540 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [0,2,0,0,0,0|0,0,0]=2 5541 B9R0.46 CSCCOC[C@H](F)CN 34a_100015665980_100000212216 [0,2,0,0,0,0|2,0,0]=4 5542 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,2,0,0,0,0|0,0,0]=2 5543 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,2,0,0,0,0|0,0,0]=2 5544 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000059175_100000751147 [0,2,0,0,0,0|1,0,0]=3 5545 B9R0.46 CSCCSC[C@@H](C)CO 62a_100000212216_100000059175 [0,2,0,0,0,0|1,0,0]=3 5546 B9R0.46 CSCCSC[C@@H](O)CF 62a_100000212216_100015614560 [0,2,0,0,0,0|1,0,0]=3 5547 B9R0.46 CSCCSC[C@@H](O)CF 62a_100015614560_100000751147 [0,2,0,0,0,0|1,0,0]=3 5548 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,2,0,0,0,0|0,0,0]=2 5549 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,2,0,0,0,0|0,0,0]=2 5550 B9R0.46 CSCNCCC(C)CO 2230a_106354213184_100011218213 [0,2,0,0,0,0|1,0,0]=3 5551 B9R0.46 CSCNCCC(C)CO 34a_106354213184_100011218213 [0,2,0,0,0,0|1,0,0]=3 5552 B9R0.46 C[C@@H](CN)CCCOCF 34a_100160569302_100015361967 [0,2,0,0,0,0|2,0,0]=4 5553 B9R0.46 C[C@@H](CO)CNCCCF 2230a_100015189416_100000059175 [0,2,0,0,0,0|1,0,0]=3 5554 B9R0.46 C[C@@H](CO)CNCCCF 34a_100015189416_100000059175 [0,2,0,0,0,0|1,0,0]=3 5555 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [0,2,0,0,0,0|1,0,0]=3 5556 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [0,2,0,0,0,0|1,0,0]=3 5557 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [0,2,0,0,0,0|1,0,0]=3 5558 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [0,2,0,0,0,0|1,0,0]=3 5559 B9R0.46 C[C@@H](CO)COCCON 34a_100000700252_100000059175 [0,2,0,0,0,0|2,0,0]=4 5560 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100000059175_100011215226 [0,2,0,0,0,0|1,0,1]=4 5561 B9R0.46 C[C@@H](CO)CSCCC#N 62a_100011215226_100000059175 [0,2,0,0,0,0|1,0,1]=4 5562 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [0,2,0,0,0,0|1,0,0]=3 5563 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [0,2,0,0,0,0|1,0,0]=3 5564 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [0,2,0,0,0,0|1,0,0]=3 5565 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [0,2,0,0,0,0|1,0,0]=3 5566 B9R0.46 C[C@H](CO)NCCCC#N 2230a_100000737577_100000687738 [0,2,0,0,0,0|1,0,1]=4 5567 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [0,2,0,0,0,0|1,0,1]=4 5568 B9R0.46 C[C@H](CO)NCCCCF 2230a_100000737577_100000729493 [0,2,0,0,0,0|1,0,0]=3 5569 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [0,2,0,0,0,0|1,0,0]=3 5570 B9R0.46 C[C@H](CO)SCCCC#N 62a_100000687738_100016084084 [0,2,0,0,0,0|1,0,1]=4 5571 B9R0.46 C[C@H](CO)SCCCC#N 62a_100016084084_100000687738 [0,2,0,0,0,0|1,0,1]=4 5572 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [0,2,0,0,0,0|1,0,1]=4 5573 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [0,2,0,0,0,0|1,0,1]=4 5574 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [0,2,0,0,0,0|1,0,0]=3 5575 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [0,2,0,0,0,0|1,0,0]=3 5576 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,2,0,0,0,0|1,0,0]=3 5577 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,2,0,0,0,0|1,0,0]=3 5578 B9R0.46 FCCCOCC(Cl)CCl 34a_100000033668_100011934791 [0,2,0,0,0,0|2,0,0]=4 5579 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,2,0,0,0,0|0,0,2]=4 5580 B9R0.46 N#CCCNC[C@H](O)CO 2230a_100020644852_100011215226 [0,2,0,0,0,0|0,0,1]=3 5581 B9R0.46 N#CCCSCC(O)CO 62a_100011215226_100011219619 [0,2,0,0,0,0|0,0,1]=3 5582 B9R0.46 N#CCCSCC(O)CO 62a_100011219619_100011215226 [0,2,0,0,0,0|0,0,1]=3 5583 B9R0.46 N#CCCSC[C@@H](O)CF 62a_100011215226_100015614560 [0,2,0,0,0,0|1,0,1]=4 5584 B9R0.46 N#CCCSC[C@@H](O)CF 62a_100015614560_100011215226 [0,2,0,0,0,0|1,0,1]=4 5585 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100009815848_100011215226 [0,2,0,0,0,0|0,0,1]=3 5586 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100011215226_100009815848 [0,2,0,0,0,0|0,0,1]=3 5587 B9R0.46 N#CSCSCC(O)CO 62a_100000211825_100011219619 [0,2,0,0,0,0|1,0,1]=4 5588 B9R0.46 N#CSCSCC(O)CO 62a_100011219619_100000211825 [0,2,0,0,0,0|1,0,1]=4 5589 B9R0.46 N#CSCSC[C@@H](O)CO 62a_100000211825_100009815848 [0,2,0,0,0,0|1,0,1]=4 5590 B9R0.46 N#CSCSC[C@@H](O)CO 62a_100009815848_100000211825 [0,2,0,0,0,0|1,0,1]=4 5591 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [0,2,0,0,0,0|0,0,0]=2 5592 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [0,2,0,0,0,0|1,0,0]=3 5593 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [0,2,0,0,0,0|0,0,0]=2 5594 B9R0.46 NC[C@@H](F)COCCCF 34a_100015665980_100011934791 [0,2,0,0,0,0|2,0,0]=4 5595 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [0,2,0,0,0,0|2,0,0]=4 5596 B9R0.46 NOCCOCC(O)CO 34a_100000700252_100011219619 [0,2,0,0,0,0|1,0,0]=3 5597 B9R0.46 NOCCOC[C@@H](O)CF 34a_100000700252_100015614560 [0,2,0,0,0,0|2,0,0]=4 5598 B9R0.46 NOCCOC[C@@H](O)CO 34a_100000700252_100009815848 [0,2,0,0,0,0|1,0,0]=3 5599 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,2,0,0,0,0|0,0,2]=4 5600 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,2,0,0,0,0|0,0,2]=4 5601 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,2,0,0,0,0|0,0,2]=4 5602 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,2,0,0,0,0|0,0,2]=4 5603 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,2,0,0,0,0|0,0,2]=4 5604 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [0,2,0,0,0,0|0,0,0]=2 5605 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [0,2,0,0,0,0|0,0,0]=2 5606 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [0,2,0,0,0,0|0,0,0]=2 5607 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [0,2,0,0,0,0|0,0,0]=2 5608 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [0,2,0,0,0,0|0,0,0]=2 5609 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,2,0,0,0,0|0,0,0]=2 5610 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,2,0,0,0,0|0,0,0]=2 5611 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [0,2,0,0,0,0|1,0,0]=3 5612 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,2,0,0,0,0|0,0,0]=2 5613 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [0,2,0,0,0,0|2,0,0]=4 5614 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,2,0,0,0,0|0,0,0]=2 5615 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,2,0,0,0,0|0,0,0]=2 5616 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,2,0,0,0,0|1,0,0]=3 5617 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,2,0,0,0,0|1,0,0]=3 5618 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,2,0,0,0,0|0,0,0]=2 5619 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,2,0,0,0,0|0,0,0]=2 5620 B9R0.46 OCCNN=CC(O)CO 4a_100000210001_100000033539 [0,2,0,0,0,0|1,0,1]=4 5621 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [0,2,0,0,0,0|0,0,0]=2 5622 B9R0.46 OC[C@H](F)CNCCCF 34a_100015665980_100011934791 [0,2,0,0,0,0|1,0,0]=3 5623 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [0,2,0,0,0,0|0,0,0]=2 5624 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [0,2,0,0,0,0|0,0,0]=2 5625 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [0,2,0,0,0,0|0,0,0]=2 5626 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [0,2,0,0,0,0|0,0,0]=2 5627 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [0,2,0,0,0,0|0,0,0]=2 5628 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,2,0,0,0,0|0,0,0]=2 5629 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,2,0,0,0,0|0,0,0]=2 5630 B9R0.46 O[C@@H](CF)CNCCCF 2230a_100015189416_100015614560 [0,2,0,0,0,0|1,0,0]=3 5631 B9R0.46 O[C@@H](CF)CNCCCF 34a_100015189416_100015614560 [0,2,0,0,0,0|1,0,0]=3 5632 B9R0.46 O[C@@H](CF)COCCCBr 34a_100011217188_100015614560 [0,2,0,0,0,0|1,0,0]=3 5633 B9R0.46 O[C@@H](CF)COCCCCl 34a_100000230001_100015614560 [0,2,0,0,0,0|1,0,0]=3 5634 B9R0.46 O[C@@H](CF)COCCCF 34a_100000759539_100015614560 [0,2,0,0,0,0|1,0,0]=3 5635 B9R0.46 O[C@@H](CF)CSCCCF 62a_100011934791_100015614560 [0,2,0,0,0,0|1,0,0]=3 5636 B9R0.46 O[C@@H](CF)CSCCCF 62a_100015614560_100011934791 [0,2,0,0,0,0|1,0,0]=3 5637 B9R0.47 CC(C)C(O)CNCCF 2230a_100000759067_100011217306 [0,2,0,0,0,0|2,0,0]=4 5638 B9R0.47 CC(C)C(O)CNCCF 34a_100000759067_100011217306 [0,2,0,0,0,0|2,0,0]=4 5639 B9R0.47 CC(C)C(O)CNCCO 2230a_100000759067_100000211926 [0,2,0,0,0,0|2,0,0]=4 5640 B9R0.47 CC(C)C(O)CNCCO 34a_100000759067_100000211926 [0,2,0,0,0,0|2,0,0]=4 5641 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,2,0,0,0,0|0,0,2]=4 5642 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,2,0,0,0,0|0,0,2]=4 5643 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,2,0,0,0,0|0,0,2]=4 5644 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,2,0,0,0,0|0,0,2]=4 5645 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,2,0,0,0,0|0,0,2]=4 5646 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,2,0,0,0,0|0,0,2]=4 5647 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,2,0,0,0,0|0,0,2]=4 5648 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,2,0,0,0,0|2,0,0]=4 5649 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,2,0,0,0,0|1,0,1]=4 5650 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,2,0,0,0,0|2,0,0]=4 5651 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,2,0,0,0,0|1,0,1]=4 5652 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,2,0,0,0,0|1,0,1]=4 5653 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,2,0,0,0,0|1,0,0]=3 5654 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,2,0,0,0,0|1,0,0]=3 5655 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,2,0,0,0,0|2,0,0]=4 5656 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,2,0,0,0,0|0,0,2]=4 5657 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,2,0,0,0,0|0,0,2]=4 5658 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,2,0,0,0,0|0,0,2]=4 5659 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,2,0,0,0,0|2,0,0]=4 5660 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,2,0,0,0,0|0,0,2]=4 5661 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,2,0,0,0,0|0,0,2]=4 5662 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,2,0,0,0,0|0,0,2]=4 5663 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,2,0,0,0,0|0,0,2]=4 5664 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,2,0,0,0,0|0,0,2]=4 5665 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,2,0,0,0,0|0,0,2]=4 5666 B9R0.47 COCNCC(O)C(C)C 2230a_100000759067_100000766300 [0,2,0,0,0,0|2,0,0]=4 5667 B9R0.47 CSCNCC(O)C(C)C 2230a_100000759067_100011218213 [0,2,0,0,0,0|2,0,0]=4 5668 B9R0.47 CSCNCC(O)C(C)C 34a_100000759067_100011218213 [0,2,0,0,0,0|2,0,0]=4 5669 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,2,0,0,0,0|0,0,2]=4 5670 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,2,0,0,0,0|0,0,2]=4 5671 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,2,0,0,0,0|0,0,2]=4 5672 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,2,0,0,0,0|0,0,2]=4 5673 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,2,0,0,0,0|0,0,2]=4 5674 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,2,0,0,0,0|0,0,2]=4 5675 B9R0.50 C#CC(CC)OCCCC 34a_100000758843_100000210210 [0,2,0,0,0,0|2,0,0]=4 5676 B9R0.50 C#CC(CC)OCCCC 7a_100000758843_100000210211 [0,2,0,0,0,0|2,0,0]=4 5677 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [0,2,0,0,0,0|1,0,1]=4 5678 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [0,2,0,0,0,0|1,0,1]=4 5679 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [0,2,0,0,0,0|1,0,1]=4 5680 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [0,2,0,0,0,0|1,0,1]=4 5681 B9R0.50 C#CCCNC(CO)CO 2230a_100000759517_100000688953 [0,2,0,0,0,0|0,0,2]=4 5682 B9R0.50 C=CC(CC)OCCCC 34a_100000766422_100000210210 [0,2,0,0,0,0|2,0,0]=4 5683 B9R0.50 C=CC(CC)OCCCC 7a_100000766422_100000210211 [0,2,0,0,0,0|2,0,0]=4 5684 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [0,2,0,0,0,0|1,0,1]=4 5685 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [0,2,0,0,0,0|1,0,1]=4 5686 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [0,2,0,0,0,0|1,0,1]=4 5687 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [0,2,0,0,0,0|1,0,1]=4 5688 B9R0.50 C=CCCNC(CO)CO 2230a_100000759517_100000754431 [0,2,0,0,0,0|0,0,2]=4 5689 B9R0.50 C=C[C@@H](CO)NCCCC 2230a_100016989147_100000210211 [0,2,0,0,0,0|1,0,0]=3 5690 B9R0.50 C=C[C@@H](CO)NCCCC 34a_100016989147_100000210210 [0,2,0,0,0,0|1,0,0]=3 5691 B9R0.50 C=C[C@@H](CO)NCCCF 2230a_100016989147_100011934791 [0,2,0,0,0,0|2,0,0]=4 5692 B9R0.50 C=C[C@@H](CO)NCCCF 34a_100016989147_100011934791 [0,2,0,0,0,0|2,0,0]=4 5693 B9R0.50 C=C[C@@H](CO)NCCCO 2230a_100016989147_100000230001 [0,2,0,0,0,0|2,0,0]=4 5694 B9R0.50 C=C[C@@H](CO)NCCCO 34a_100016989147_100000230001 [0,2,0,0,0,0|2,0,0]=4 5695 B9R0.50 C=C[C@@H](CO)NCCOC 2230a_100016989147_100011201679 [0,2,0,0,0,0|2,0,0]=4 5696 B9R0.50 C=C[C@@H](CO)NCCOC 34a_100016989147_100011201679 [0,2,0,0,0,0|2,0,0]=4 5697 B9R0.50 C=C[C@@H](CO)NCCSC 2230a_100016989147_100000751147 [0,2,0,0,0,0|2,0,0]=4 5698 B9R0.50 C=C[C@@H](CO)NCCSC 34a_100016989147_100000212216 [0,2,0,0,0,0|2,0,0]=4 5699 B9R0.50 CC#CCNC(CO)CO 2230a_100000759517_100000748600 [0,2,0,0,0,0|0,0,2]=4 5700 B9R0.50 CC=CCNC(CO)CO 2230a_100000759517_100000070051 [0,2,0,0,0,0|0,0,2]=4 5701 B9R0.50 CCC(COCCF)OC 34a_100011934954_100011217306 [0,2,0,0,0,0|2,0,0]=4 5702 B9R0.50 CCC(COCCF)OC 7a_100011934954_100011217306 [0,2,0,0,0,0|2,0,0]=4 5703 B9R0.50 CCC(COCCO)OC 34a_100011934954_100000211926 [0,2,0,0,0,0|2,0,0]=4 5704 B9R0.50 CCC(COCCO)OC 7a_100011934954_100000211926 [0,2,0,0,0,0|2,0,0]=4 5705 B9R0.50 CCC(COCSC)OC 34a_100011934954_100011218213 [0,2,0,0,0,0|2,0,0]=4 5706 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [0,2,0,0,0,0|2,0,0]=4 5707 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [0,2,0,0,0,0|1,0,0]=3 5708 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [0,2,0,0,0,0|1,0,0]=3 5709 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [0,2,0,0,0,0|1,0,0]=3 5710 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [0,2,0,0,0,0|1,0,0]=3 5711 B9R0.50 CCCCNC(CC)CC 2230a_100000199018_100000210211 [0,2,0,0,0,0|2,0,0]=4 5712 B9R0.50 CCCCNC(CC)CC 270004a_100000102301_100000210860 [0,2,0,0,0,0|2,0,0]=4 5713 B9R0.50 CCCCNC(CC)CC 7a_106832991798_100000210505 [0,2,0,0,0,0|2,0,0]=4 5714 B9R0.50 CCCCNC(CO)CO 2230a_100000759517_100000210211 [0,2,0,0,0,0|0,0,0]=2 5715 B9R0.50 CCCCN[C@@H](CC)CO 2230a_100000709445_100000210211 [0,2,0,0,0,0|1,0,0]=3 5716 B9R0.50 CCCCOC(CC)CC 7a_100000210227_100000210505 [0,2,0,0,0,0|2,0,0]=4 5717 B9R0.50 CCCCOC(CC)CC 7a_100000688536_100000210211 [0,2,0,0,0,0|2,0,0]=4 5718 B9R0.50 CCCCOC(CCl)CCl 7a_100000737055_100000210211 [0,2,0,0,0,0|2,0,0]=4 5719 B9R0.50 CCCCOC(CF)CF 34a_100000032261_100000210210 [0,2,0,0,0,0|2,0,0]=4 5720 B9R0.50 CCCCOC(CF)CF 7a_100000032261_100000210211 [0,2,0,0,0,0|2,0,0]=4 5721 B9R0.50 CCCCOC(CN)CN 34a_100000031598_100000210210 [0,2,0,0,0,0|2,0,0]=4 5722 B9R0.50 CCCCO[C@@H](CF)CCl 34a_100015614560_100000210210 [0,2,0,0,0,0|2,0,0]=4 5723 B9R0.50 CCCCO[C@@H](CF)CCl 7a_100015614560_100000210211 [0,2,0,0,0,0|2,0,0]=4 5724 B9R0.50 CCCCSC(CC)CC 62a_100000210211_100000210505 [0,2,0,0,0,0|2,0,0]=4 5725 B9R0.50 CCCCSC(CC)CC 62a_100000210505_100000210210 [0,2,0,0,0,0|2,0,0]=4 5726 B9R0.50 CCCNCC(CC)CC 2230a_100102946423_100000210303 [0,2,0,0,0,0|2,0,0]=4 5727 B9R0.50 CCCNCC(CC)CC 269862a_100020643023_100000211137 [0,2,0,0,0,0|2,0,0]=4 5728 B9R0.50 CCCNCC(CC)CC 270004a_100020643023_100000211137 [0,2,0,0,0,0|2,0,0]=4 5729 B9R0.50 CCCNCC(OC)OC 270004a_100020643023_100000752162 [0,2,0,0,0,0|2,0,0]=4 5730 B9R0.50 CCCNN=C(CO)CO 4a_100000740057_100000036256 [0,2,0,0,0,0|1,0,1]=4 5731 B9R0.50 CCCOCC(CC)CC 34a_100000210258_100011215472 [0,2,0,0,0,0|2,0,0]=4 5732 B9R0.50 CCCOCC(CC)CC 7a_100000703878_100000210303 [0,2,0,0,0,0|2,0,0]=4 5733 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [0,2,0,0,0,0|1,0,0]=3 5734 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [0,2,0,0,0,0|1,0,0]=3 5735 B9R0.50 CCCOCC(OC)OC 34a_100000210258_100000211822 [0,2,0,0,0,0|2,0,0]=4 5736 B9R0.50 CCCOCC(OC)OC 34a_100011216393_100000210303 [0,2,0,0,0,0|2,0,0]=4 5737 B9R0.50 CCCSCC(CC)CC 62a_100000210303_100011215472 [0,2,0,0,0,0|2,0,0]=4 5738 B9R0.50 CCCSCC(CC)CC 62a_100011215472_100000210303 [0,2,0,0,0,0|2,0,0]=4 5739 B9R0.50 CCCSCC(OC)OC 62a_100000210303_100000751394 [0,2,0,0,0,0|2,0,0]=4 5740 B9R0.50 CCCSCC(OC)OC 62a_100000751394_100000210303 [0,2,0,0,0,0|2,0,0]=4 5741 B9R0.50 CCNCCC(OC)OC 2230a_100015525214_100009813347 [0,2,0,0,0,0|2,0,0]=4 5742 B9R0.50 CCOCCC(OC)OC 34a_100121572206_100000139399 [0,2,0,0,0,0|2,0,0]=4 5743 B9R0.50 CCSCCC(OC)OC 62a_100000139399_100000210202 [0,2,0,0,0,0|2,0,0]=4 5744 B9R0.50 CCSCCC(OC)OC 62a_100000210202_100000139399 [0,2,0,0,0,0|2,0,0]=4 5745 B9R0.50 CC[C@@H](CO)NCCCF 2230a_100000709445_100011934791 [0,2,0,0,0,0|2,0,0]=4 5746 B9R0.50 CC[C@@H](CO)NCCCO 2230a_100000709445_100000230001 [0,2,0,0,0,0|2,0,0]=4 5747 B9R0.50 CC[C@@H](CO)NCCOC 2230a_100000709445_100011201679 [0,2,0,0,0,0|2,0,0]=4 5748 B9R0.50 CC[C@@H](CO)NCCSC 2230a_100000709445_100000751147 [0,2,0,0,0,0|2,0,0]=4 5749 B9R0.50 CNCCCC(OC)OC 2230a_106832991635_100000069011 [0,2,0,0,0,0|2,0,0]=4 5750 B9R0.50 CNCCCC(OC)OC 34a_100102657272_100000069011 [0,2,0,0,0,0|2,0,0]=4 5751 B9R0.50 CNCCCC(OC)OC 7a_106832991635_100000069011 [0,2,0,0,0,0|2,0,0]=4 5752 B9R0.50 COC(CCCSC)OC 62a_100000069011_200000210301 [0,2,0,0,0,0|2,0,0]=4 5753 B9R0.50 COC(CCCSC)OC 62a_200000210301_100000069011 [0,2,0,0,0,0|2,0,0]=4 5754 B9R0.50 COC(CCCS[13CH3])OC 62a_100000069011_200025704644 [0,2,0,0,0,0|2,0,0]=4 5755 B9R0.50 COC(CCCS[13CH3])OC 62a_200025704644_100000069011 [0,2,0,0,0,0|2,0,0]=4 5756 B9R0.50 COCCCC(OC)OC 34a_100138415774_100000069011 [0,2,0,0,0,0|2,0,0]=4 5757 B9R0.50 COCCNC(CO)CO 2230a_100000759517_100011201679 [0,2,0,0,0,0|1,0,0]=3 5758 B9R0.50 CSCCNC(CO)CO 2230a_100000759517_100000751147 [0,2,0,0,0,0|1,0,0]=3 5759 B9R0.50 N#CCCNC(CO)CO 2230a_100000759517_100011215226 [0,2,0,0,0,0|1,0,1]=4 5760 B9R0.50 OCC(CO)NCCCF 2230a_100000759517_100011934791 [0,2,0,0,0,0|1,0,0]=3 5761 B9R0.50 OCCCNC(CO)CO 2230a_100000759517_100000230001 [0,2,0,0,0,0|1,0,0]=3 5762 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [0,2,0,0,0,0|0,0,2]=4 5763 B9R0.3 CCCNC(C)C(C)(C)O 269862a_100020643023_100000747739 [0,2,0,0,0,0|2,0,0]=4 5764 B9R0.3 CCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210303 [0,2,0,0,0,0|2,0,0]=4 5765 B9R0.3 CCNCC(O)C(F)(F)F 2230a_100000743304_100000210202 [0,2,0,0,0,0|2,0,0]=4 5766 B9R0.3 CCNCC(O)C(F)(F)F 34a_100000743304_100000210202 [0,2,0,0,0,0|2,0,0]=4 5767 B9R0.3 CCOCC(O)C(F)(F)F 34a_100121572206_100000185343 [0,2,0,0,0,0|2,0,0]=4 5768 B9R0.3 CCSCC(O)C(F)(F)F 62a_100000185343_100000210202 [0,2,0,0,0,0|2,0,0]=4 5769 B9R0.3 CCSCC(O)C(F)(F)F 62a_100000210202_100000185343 [0,2,0,0,0,0|2,0,0]=4 5770 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,2,0,0,0,0|0,0,2]=4 5771 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,2,0,0,0,0|0,0,2]=4 5772 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,2,0,0,0,0|0,0,2]=4 5773 B9R0.7 CC(C)NCC(O)C(C)C 2230a_100000759067_100000210206 [0,2,0,0,0,0|2,0,0]=4 5774 B9R0.7 CC(C)NCC(O)C(C)C 34a_100000759067_100000210206 [0,2,0,0,0,0|2,0,0]=4 5775 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,2,0,0,0,0|0,0,2]=4 5776 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,2,0,0,0,0|0,0,2]=4 5777 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,2,0,0,0,0|0,0,2]=4 5778 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,2,0,0,0,0|1,0,1]=4 5779 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,2,0,0,0,0|1,0,1]=4 5780 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,2,0,0,0,0|1,0,1]=4 5781 B9R0.13 CCCCC(CC)N(C)C 269982a_100102631434_200011216223 [0,2,0,0,0,0|2,0,0]=4 5782 B9R0.13 CCCCC(CC)N(C)C 270004a_100102631434_100000753412 [0,2,0,0,0,0|2,0,0]=4 5783 B9R0.13 CCCCC(NC)C(C)C 270004a_106832991635_200011215219 [0,2,0,0,0,0|2,0,0]=4 5784 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,2,0,0,0,0|0,0,2]=4 5785 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,2,0,0,0,0|1,0,0]=3 5786 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210303 [0,2,0,0,0,0|2,0,0]=4 5787 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210303 [0,2,0,0,0,0|2,0,0]=4 5788 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [0,2,0,0,0,0|1,0,1]=4 5789 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [0,2,0,0,0,0|1,0,1]=4 5790 B9R0.13 CCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210303 [0,2,0,0,0,0|2,0,0]=4 5791 B9R0.13 CCCN[C@@H](CO)C(C)C 34a_100011830312_100000210303 [0,2,0,0,0,0|2,0,0]=4 5792 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,2,0,0,0,0|2,0,0]=4 5793 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210303 [0,2,0,0,0,0|1,0,0]=3 5794 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210303 [0,2,0,0,0,0|1,0,0]=3 5795 B9R0.13 CCNCC(CO)C(C)C 34a_100000692819_100000210202 [0,2,0,0,0,0|2,0,0]=4 5796 B9R0.13 COCNC(CO)C(=O)O 269956a_100000187304_100000766300 [0,2,0,0,0,0|2,0,0]=4 5797 B9R0.13 COCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000766300 [0,2,0,0,0,0|2,0,0]=4 5798 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [0,2,0,0,0,0|2,0,0]=4 5799 B9R0.13 CSCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011218213 [0,2,0,0,0,0|2,0,0]=4 5800 B9R0.13 CSCN[C@H](CO)[C@@H](C)O 34a_100015196842_100011218213 [0,2,0,0,0,0|2,0,0]=4 5801 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 2230a_100015196842_100011217306 [0,2,0,0,0,0|2,0,0]=4 5802 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 34a_100015196842_100011217306 [0,2,0,0,0,0|2,0,0]=4 5803 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 2230a_100015196842_100000211926 [0,2,0,0,0,0|2,0,0]=4 5804 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 34a_100015196842_100000211926 [0,2,0,0,0,0|2,0,0]=4 5805 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,2,0,0,0,0|2,0,0]=4 5806 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,2,0,0,0,0|2,0,0]=4 5807 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [0,2,0,0,0,0|1,0,1]=4 5808 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [0,2,0,0,0,0|1,0,1]=4 5809 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,2,0,0,0,0|1,0,1]=4 5810 B9R0.42 CC(C)N(C)CC(O)CO 2230a_100000702902_200000210301 [0,2,0,0,0,0|1,0,0]=3 5811 B9R0.42 CC(C)N(C)CC(O)CO 2230a_100011216503_100000210206 [0,2,0,0,0,0|1,0,0]=3 5812 B9R0.42 CC(C)N(C)CC(O)CO 269982a_100000702902_200000210301 [0,2,0,0,0,0|1,0,0]=3 5813 B9R0.42 CC(C)N(C)CC(O)CO 269982a_100011216503_100000210206 [0,2,0,0,0,0|1,0,0]=3 5814 B9R0.42 CC(C)N(C)C[C@@H](C)CO 269982a_200000211004_100000059175 [0,2,0,0,0,0|2,0,0]=4 5815 B9R0.42 CC(C)N([13CH3])CC(O)CO 2230a_100000702902_200025704644 [0,2,0,0,0,0|1,0,0]=3 5816 B9R0.42 CC(C)N([13CH3])CC(O)CO 269982a_100000702902_200025704644 [0,2,0,0,0,0|1,0,0]=3 5817 B9R0.42 CC(CO)NC(C)C(C)C 2230a_100000211541_100012180447 [0,2,0,0,0,0|2,0,0]=4 5818 B9R0.42 CC(CO)OC(C)C(C)C 7a_100000748068_100012180447 [0,2,0,0,0,0|2,0,0]=4 5819 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,2,0,0,0,0|1,0,1]=4 5820 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,2,0,0,0,0|0,0,2]=4 5821 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,2,0,0,0,0|0,0,2]=4 5822 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,2,0,0,0,0|0,0,2]=4 5823 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [0,2,0,0,0,0|1,0,1]=4 5824 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [0,2,0,0,0,0|1,0,1]=4 5825 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [0,2,0,0,0,0|1,0,1]=4 5826 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [0,2,0,0,0,0|0,0,2]=4 5827 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,2,0,0,0,0|0,0,2]=4 5828 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,2,0,0,0,0|0,0,2]=4 5829 B9R0.42 CCC(O)CN(C)C(C)C 269982a_200000211004_100011218378 [0,2,0,0,0,0|2,0,0]=4 5830 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,2,0,0,0,0|0,0,2]=4 5831 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,2,0,0,0,0|0,0,2]=4 5832 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,2,0,0,0,0|0,0,2]=4 5833 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,2,0,0,0,0|1,0,1]=4 5834 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,2,0,0,0,0|1,0,1]=4 5835 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,2,0,0,0,0|0,0,2]=4 5836 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,2,0,0,0,0|0,0,2]=4 5837 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [0,2,0,0,0,0|0,0,2]=4 5838 B9R0.21 CC(C)(C)NCC(O)CO 2230a_100000715429_100011219619 [0,2,0,0,0,0|1,0,0]=3 5839 B9R0.21 CC(C)(C)NC[C@@H](F)CO 34a_100015665980_100000210625 [0,2,0,0,0,0|2,0,0]=4 5840 B9R0.21 CC(C)(C)NC[C@@H](O)CF 2230a_100000715429_100015614560 [0,2,0,0,0,0|2,0,0]=4 5841 B9R0.21 CC(C)(C)NC[C@@H](O)CO 2230a_100000715429_100009815848 [0,2,0,0,0,0|1,0,0]=3 5842 B9R0.21 CC(C)(C)OCC(O)CO 34a_100015890283_100011219619 [0,2,0,0,0,0|1,0,0]=3 5843 B9R0.21 CC(C)(C)OCC(O)CO 7a_100015890283_100011219619 [0,2,0,0,0,0|1,0,0]=3 5844 B9R0.21 CC(C)(C)OC[C@@H](O)CF 34a_100015890283_100015614560 [0,2,0,0,0,0|2,0,0]=4 5845 B9R0.21 CC(C)(C)OC[C@@H](O)CF 7a_100015890283_100015614560 [0,2,0,0,0,0|2,0,0]=4 5846 B9R0.21 CC(C)(C)OC[C@@H](O)CO 34a_100015890283_100009815848 [0,2,0,0,0,0|1,0,0]=3 5847 B9R0.21 CC(C)(C)OC[C@@H](O)CO 7a_100015890283_100009815848 [0,2,0,0,0,0|1,0,0]=3 5848 B9R0.21 CC(C)(C)SCC(O)CO 62a_100000211941_100011219619 [0,2,0,0,0,0|1,0,0]=3 5849 B9R0.21 CC(C)(C)SCC(O)CO 62a_100011219619_100000211941 [0,2,0,0,0,0|1,0,0]=3 5850 B9R0.21 CC(C)(C)SC[C@@H](O)CF 62a_100000211941_100015614560 [0,2,0,0,0,0|2,0,0]=4 5851 B9R0.21 CC(C)(C)SC[C@@H](O)CF 62a_100015614560_100000211941 [0,2,0,0,0,0|2,0,0]=4 5852 B9R0.21 CC(C)(C)SC[C@@H](O)CO 62a_100000211941_100009815848 [0,2,0,0,0,0|1,0,0]=3 5853 B9R0.21 CC(C)(C)SC[C@@H](O)CO 62a_100009815848_100000211941 [0,2,0,0,0,0|1,0,0]=3 5854 B9R0.21 CC(CO)CNC(C)(C)C 34a_100000744482_100000210625 [0,2,0,0,0,0|2,0,0]=4 5855 B9R0.21 CC(CO)NCC(C)(C)C 2230a_100000743828_100012180447 [0,2,0,0,0,0|2,0,0]=4 5856 B9R0.21 CC(CO)NCC(C)(C)F 2230a_100020643315_100012180447 [0,2,0,0,0,0|2,0,0]=4 5857 B9R0.21 CC(CO)NCC(C)(C)O 2230a_100000751335_100012180447 [0,2,0,0,0,0|2,0,0]=4 5858 B9R0.21 CC(CO)OCC(C)(C)F 34a_100000716592_100012180447 [0,2,0,0,0,0|2,0,0]=4 5859 B9R0.21 CC(CO)OCC(C)(F)F 34a_100000068830_100012180447 [0,2,0,0,0,0|2,0,0]=4 5860 B9R0.21 CC(CO)SCC(C)(C)C 62a_100012180447_100011219605 [0,2,0,0,0,0|2,0,0]=4 5861 B9R0.21 CC(CO)SCC(C)(C)F 62a_100012180447_100011997219 [0,2,0,0,0,0|2,0,0]=4 5862 B9R0.21 CC(CO)SCC(C)(C)O 62a_100012180447_100000764493 [0,2,0,0,0,0|2,0,0]=4 5863 B9R0.21 CCC(O)CNC(C)(C)C 2230a_100000715429_100011218378 [0,2,0,0,0,0|2,0,0]=4 5864 B9R0.21 CCC(O)COC(C)(C)C 34a_100015890283_100011218378 [0,2,0,0,0,0|2,0,0]=4 5865 B9R0.21 CCC(O)COC(C)(C)C 7a_100015890283_100011218378 [0,2,0,0,0,0|2,0,0]=4 5866 B9R0.21 CCC(O)CSC(C)(C)C 62a_100000211941_100011218378 [0,2,0,0,0,0|2,0,0]=4 5867 B9R0.21 CCC(O)CSC(C)(C)C 62a_100011218378_100000211941 [0,2,0,0,0,0|2,0,0]=4 5868 B9R0.21 C[C@@H](CO)CNC(C)(C)C 2230a_100000715429_100000059175 [0,2,0,0,0,0|2,0,0]=4 5869 B9R0.21 C[C@@H](CO)COC(C)(C)C 34a_100015890283_100000059175 [0,2,0,0,0,0|2,0,0]=4 5870 B9R0.21 C[C@@H](CO)COC(C)(C)C 7a_100015890283_100000059175 [0,2,0,0,0,0|2,0,0]=4 5871 B9R0.21 C[C@@H](CO)CSC(C)(C)C 62a_100000059175_100000211941 [0,2,0,0,0,0|2,0,0]=4 5872 B9R0.21 C[C@@H](CO)CSC(C)(C)C 62a_100000211941_100000059175 [0,2,0,0,0,0|2,0,0]=4 5873 B9R0.21 C[C@H](CO)NCC(C)(C)C 270004a_100000737577_100011204126 [0,2,0,0,0,0|2,0,0]=4 5874 B9R0.21 C[C@H](CO)SCC(C)(C)C 62a_100011219605_100016084084 [0,2,0,0,0,0|2,0,0]=4 5875 B9R0.21 C[C@H](CO)SCC(C)(C)C 62a_100016084084_100011219605 [0,2,0,0,0,0|2,0,0]=4 5876 B9R0.21 C[C@H](CO)SCC(C)(C)F 62a_100011997219_100016084084 [0,2,0,0,0,0|2,0,0]=4 5877 B9R0.21 C[C@H](CO)SCC(C)(C)F 62a_100016084084_100011997219 [0,2,0,0,0,0|2,0,0]=4 5878 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100000764493_100016084084 [0,2,0,0,0,0|2,0,0]=4 5879 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100016084084_100000764493 [0,2,0,0,0,0|2,0,0]=4 5880 B9R0.21 OCC(O)CSC(F)(F)F 62a_100011219619_200103152311 [0,2,0,0,0,0|2,0,0]=4 5881 B9R0.21 OCC(O)CSC(F)(F)F 62a_200000243211_100011219619 [0,2,0,0,0,0|2,0,0]=4 5882 B9R0.21 OC[C@H](O)CSC(F)(F)F 62a_100009815848_200103152311 [0,2,0,0,0,0|2,0,0]=4 5883 B9R0.21 OC[C@H](O)CSC(F)(F)F 62a_200000243211_100009815848 [0,2,0,0,0,0|2,0,0]=4 5884 B9R0.43 C=C(C)CNC(CO)CO 2230a_100000759517_100000748629 [0,2,0,0,0,0|1,0,1]=4 5885 B9R0.43 C=C[C@@H](CO)NCC(C)C 2230a_100016989147_100000210760 [0,2,0,0,0,0|2,0,0]=4 5886 B9R0.43 C=C[C@@H](CO)NCC(C)C 270004a_100016989147_100000210432 [0,2,0,0,0,0|2,0,0]=4 5887 B9R0.43 C=C[C@@H](CO)NCC(C)C 34a_100016989147_100000210624 [0,2,0,0,0,0|2,0,0]=4 5888 B9R0.43 C=C[C@@H](CO)NCC(C)O 2230a_100016989147_100011218427 [0,2,0,0,0,0|2,0,0]=4 5889 B9R0.43 C=C[C@@H](CO)NCC(C)O 34a_100016989147_100011218427 [0,2,0,0,0,0|2,0,0]=4 5890 B9R0.43 C=C[C@@H](CO)NC[C@@H](C)O 2230a_100016989147_100009817552 [0,2,0,0,0,0|2,0,0]=4 5891 B9R0.43 C=C[C@@H](CO)NC[C@@H](C)O 34a_100016989147_100009817552 [0,2,0,0,0,0|2,0,0]=4 5892 B9R0.43 CC(C)CNC(CO)CO 2230a_100000759517_100000210760 [0,2,0,0,0,0|1,0,0]=3 5893 B9R0.43 CC(O)CNC(CO)CO 2230a_100000759517_100011218427 [0,2,0,0,0,0|1,0,0]=3 5894 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [0,2,0,0,0,0|1,0,0]=3 5895 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [0,2,0,0,0,0|1,0,0]=3 5896 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [0,2,0,0,0,0|1,0,0]=3 5897 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [0,2,0,0,0,0|1,0,0]=3 5898 B9R0.43 CCC(COC(C)C)OC 34a_100011934954_100000210206 [0,2,0,0,0,0|2,0,0]=4 5899 B9R0.43 CCC(COC(C)C)OC 7a_100011934954_100000210206 [0,2,0,0,0,0|2,0,0]=4 5900 B9R0.43 CC[C@@H](CO)NCC(C)C 2230a_100000709445_100000210760 [0,2,0,0,0,0|2,0,0]=4 5901 B9R0.43 CC[C@@H](CO)NCC(C)C 270004a_100000709445_100000210432 [0,2,0,0,0,0|2,0,0]=4 5902 B9R0.43 CC[C@@H](CO)NCC(C)O 2230a_100000709445_100011218427 [0,2,0,0,0,0|2,0,0]=4 5903 B9R0.43 CC[C@@H](CO)NC[C@@H](C)O 2230a_100000709445_100009817552 [0,2,0,0,0,0|2,0,0]=4 5904 B9R0.43 C[C@@H](O)CNC(CO)CO 2230a_100000759517_100009817552 [0,2,0,0,0,0|1,0,0]=3 5905 B9R0.43 OCC(CO)NCC(F)F 2230a_100000759517_100011934356 [0,2,0,0,0,0|2,0,0]=4 5906 B9R0.64 CC(C)CNC(C)(C)CO 2230a_100000210608_100000210760 [0,2,0,0,0,0|2,0,0]=4 5907 B9R0.64 CC(C)CNC(C)(C)CO 270004a_100000210608_100000210432 [0,2,0,0,0,0|2,0,0]=4 5908 B9R0.64 CC(C)CSC(F)(F)CO 62a_100000210624_100011217949 [0,2,0,0,0,0|2,0,0]=4 5909 B9R0.64 CC(C)CSC(F)(F)CO 62a_100011217949_100000210760 [0,2,0,0,0,0|2,0,0]=4 5910 B9R0.64 CC(C)NCC(C)(C)CO 2230a_100020635058_100000210206 [0,2,0,0,0,0|2,0,0]=4 5911 B9R0.64 CC(C)NCC(C)(C)CO 34a_100138425928_100009813988 [0,2,0,0,0,0|2,0,0]=4 5912 B9R0.64 CC(C)OCC(C)(C)CO 34a_100000212225_100009813988 [0,2,0,0,0,0|2,0,0]=4 5913 B9R0.64 CC(C)SCC(C)(C)CO 62a_100000210206_100009813988 [0,2,0,0,0,0|2,0,0]=4 5914 B9R0.64 CC(C)SCC(C)(C)CO 62a_100009813988_100000210206 [0,2,0,0,0,0|2,0,0]=4 5915 B9R0.64 CC(O)CNC(C)(C)CO 2230a_100000210608_100011218427 [0,2,0,0,0,0|2,0,0]=4 5916 B9R0.64 CC(O)CSC(F)(F)CO 62a_100011217949_100011218427 [0,2,0,0,0,0|2,0,0]=4 5917 B9R0.64 CC(O)CSC(F)(F)CO 62a_100011218427_100011217949 [0,2,0,0,0,0|2,0,0]=4 5918 B9R0.64 C[C@@H](O)CNC(C)(C)CO 2230a_100000210608_100009817552 [0,2,0,0,0,0|2,0,0]=4 5919 B9R0.64 C[C@@H](O)CSC(F)(F)CO 62a_100009817552_100011217949 [0,2,0,0,0,0|2,0,0]=4 5920 B9R0.64 C[C@@H](O)CSC(F)(F)CO 62a_100011217949_100009817552 [0,2,0,0,0,0|2,0,0]=4 5921 B9R0.26 C#CC(CC)OC(C)CO 34a_100000758843_100012180447 [0,2,0,0,0,0|2,0,0]=4 5922 B9R0.26 C#CC(CC)OC(C)CO 7a_100000758843_100012180447 [0,2,0,0,0,0|2,0,0]=4 5923 B9R0.26 C=CC(CC)OC(C)CO 34a_100000766422_100012180447 [0,2,0,0,0,0|2,0,0]=4 5924 B9R0.26 C=CC(CC)OC(C)CO 7a_100000766422_100012180447 [0,2,0,0,0,0|2,0,0]=4 5925 B9R0.26 C=C[C@@H](CO)NC(C)CC 2230a_100016989147_100000758301 [0,2,0,0,0,0|2,0,0]=4 5926 B9R0.26 C=C[C@@H](CO)NC(C)CC 34a_100016989147_100011215416 [0,2,0,0,0,0|2,0,0]=4 5927 B9R0.26 CC(CO)NC(CO)CO 2230a_100000759517_100012180447 [0,2,0,0,0,0|2,0,0]=4 5928 B9R0.26 CCC(=O)NC(CO)CO 240690a_100000759517_100000210414 [0,2,0,0,0,0|1,0,1]=4 5929 B9R0.26 CCC(=O)NC(CO)CO 527a_100000759517_100000210414 [0,2,0,0,0,0|1,0,1]=4 5930 B9R0.26 CCC(C)CC(CC)NC 270004a_106832991635_100000184709 [0,2,0,0,0,0|2,0,0]=4 5931 B9R0.26 CCC(C)CC(CC)OC 7a_200011216566_200000210301 [0,2,0,0,0,0|1,0,0]=3 5932 B9R0.26 CCC(C)CC(CC)O[13CH3] 7a_200011216566_200025704644 [0,2,0,0,0,0|1,0,0]=3 5933 B9R0.26 CCC(C)NC(CO)CO 2230a_100000759517_100000758301 [0,2,0,0,0,0|1,0,0]=3 5934 B9R0.26 CCC(C)N[C@@H](CC)CO 2230a_100000709445_100000758301 [0,2,0,0,0,0|2,0,0]=4 5935 B9R0.26 CCC(CC)CC(=O)CO 1458a_100000210174_100011215472 [0,2,0,0,0,0|0,0,2]=4 5936 B9R0.26 CCC(CC)NC(C)CO 2230a_100000199018_100012180447 [0,2,0,0,0,0|2,0,0]=4 5937 B9R0.26 CCC(CC)N[C@H](C)CO 270004a_100000737577_100000210860 [0,2,0,0,0,0|2,0,0]=4 5938 B9R0.26 CCC(CC)OC(C)CO 7a_100000688536_100012180447 [0,2,0,0,0,0|2,0,0]=4 5939 B9R0.26 CCC(CC)SC(C)CO 62a_100012180447_100000210505 [0,2,0,0,0,0|2,0,0]=4 5940 B9R0.26 CCC(CC)S[C@H](C)CO 62a_100000210505_100016084084 [0,2,0,0,0,0|2,0,0]=4 5941 B9R0.26 CCC(CC)S[C@H](C)CO 62a_100016084084_100000210505 [0,2,0,0,0,0|2,0,0]=4 5942 B9R0.26 CCC(O)CN(CC)CC 2230a_100000724800_100011218378 [0,2,0,0,0,0|2,0,0]=4 5943 B9R0.26 CCC(O)CN(CC)CC 2230a_100011365200_100000210202 [0,2,0,0,0,0|2,0,0]=4 5944 B9R0.26 CCC(O)CN(CC)CC 269956a_100000042499_100011218378 [0,2,0,0,0,0|2,0,0]=4 5945 B9R0.26 CCC(O)CN(CC)CC 269982a_100000724800_100011218378 [0,2,0,0,0,0|2,0,0]=4 5946 B9R0.26 CCC(O)CN(CC)CC 269982a_100011365200_100000204670 [0,2,0,0,0,0|2,0,0]=4 5947 B9R0.26 CCC(O)CN(CC)CF 269982a_100011365200_100015361967 [0,2,0,0,0,0|2,0,0]=4 5948 B9R0.26 CCN(CC)CC(O)CO 2230a_100000724800_100011219619 [0,2,0,0,0,0|1,0,0]=3 5949 B9R0.26 CCN(CC)CC(O)CO 269956a_100000042499_100011219619 [0,2,0,0,0,0|1,0,0]=3 5950 B9R0.26 CCN(CC)C[C@@H](C)CO 2230a_100000724800_100000059175 [0,2,0,0,0,0|2,0,0]=4 5951 B9R0.26 CCN(CC)C[C@@H](C)CO 269956a_100000042499_100000059175 [0,2,0,0,0,0|2,0,0]=4 5952 B9R0.26 CCN(CC)C[C@@H](C)CO 269982a_100000724800_100000059175 [0,2,0,0,0,0|2,0,0]=4 5953 B9R0.26 CCN(CC)C[C@@H](O)CF 2230a_100000724800_100015614560 [0,2,0,0,0,0|2,0,0]=4 5954 B9R0.26 CCN(CC)C[C@@H](O)CF 269956a_100000042499_100015614560 [0,2,0,0,0,0|2,0,0]=4 5955 B9R0.26 CCN(CC)C[C@@H](O)CO 2230a_100000724800_100009815848 [0,2,0,0,0,0|1,0,0]=3 5956 B9R0.26 CCN(CC)C[C@@H](O)CO 269956a_100000042499_100009815848 [0,2,0,0,0,0|1,0,0]=3 5957 B9R0.26 CC[C@@H](CO)NC(C)CO 2230a_100000709445_100012180447 [0,2,0,0,0,0|2,0,0]=4 5958 B9R0.67 CCCCC(C)(CC)OC 7a_200011218725_200000210301 [0,2,0,0,0,0|1,0,0]=3 5959 B9R0.67 CCCCC(C)(CC)O[13CH3] 7a_200011218725_200025704644 [0,2,0,0,0,0|1,0,0]=3 5960 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [0,2,0,0,0,0|1,0,1]=4 5961 B9R0.22 CCC(C)(C)NC(C)CO 2230a_100000211385_100012180447 [0,2,0,0,0,0|2,0,0]=4 5962 B9R0.22 CCC(C)(C)OC(C)CO 7a_100000210230_100012180447 [0,2,0,0,0,0|2,0,0]=4 5963 B9R0.22 CCC(C)(C)SC(C)CO 62a_100012180447_100000032637 [0,2,0,0,0,0|2,0,0]=4 5964 B9R0.22 CCC(C)(C)S[C@H](C)CO 62a_100000032637_100016084084 [0,2,0,0,0,0|2,0,0]=4 5965 B9R0.22 CCC(C)(C)S[C@H](C)CO 62a_100016084084_100000032637 [0,2,0,0,0,0|2,0,0]=4 5966 B9R0.22 CCC(C)NC(C)(C)CO 2230a_100000210608_100000758301 [0,2,0,0,0,0|2,0,0]=4 5967 B9R0.22 CCC(C)SC(F)(F)CO 62a_100000758301_100011217949 [0,2,0,0,0,0|2,0,0]=4 5968 B9R0.22 CCC(C)SC(F)(F)CO 62a_100011217949_100000758301 [0,2,0,0,0,0|2,0,0]=4 5969 B9R0.22 CCN(C)CC(C)(C)CO 2230a_100000732702_100000210202 [0,2,0,0,0,0|2,0,0]=4 5970 B9R0.22 CCN(C)CC(C)(C)CO 269982a_100000732702_100000204670 [0,2,0,0,0,0|2,0,0]=4 5971 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,1,0,0|2,0,0]=4 5972 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,1,0,0|2,0,0]=4 5973 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [1,0,0,1,0,0|2,0,0]=4 5974 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [1,0,0,1,0,0|2,0,0]=4 5975 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [1,0,0,1,0,0|2,0,0]=4 5976 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [1,0,0,1,0,0|2,0,0]=4 5977 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [1,0,0,1,0,0|2,0,0]=4 5978 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [1,0,0,1,0,0|2,0,0]=4 5979 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [1,0,0,1,0,0|2,0,0]=4 5980 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [1,0,0,1,0,0|2,0,0]=4 5981 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [1,0,0,1,0,0|2,0,0]=4 5982 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [1,0,0,1,0,0|2,0,0]=4 5983 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [1,0,0,1,0,0|2,0,0]=4 5984 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [1,0,0,1,0,0|2,0,0]=4 5985 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [1,0,0,1,0,0|2,0,0]=4 5986 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [1,0,0,1,0,0|2,0,0]=4 5987 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [1,0,0,1,0,0|2,0,0]=4 5988 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [1,0,0,1,0,0|2,0,0]=4 5989 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [1,0,0,1,0,0|2,0,0]=4 5990 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [1,0,0,1,0,0|2,0,0]=4 5991 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [1,0,0,1,0,0|2,0,0]=4 5992 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [1,0,0,1,0,0|2,0,0]=4 5993 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [1,0,0,1,0,0|2,0,0]=4 5994 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [1,0,0,1,0,0|2,0,0]=4 5995 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [1,0,0,1,0,0|2,0,0]=4 5996 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [1,0,0,1,0,0|2,0,0]=4 5997 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [1,0,0,1,0,0|2,0,0]=4 5998 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [1,0,0,1,0,0|2,0,0]=4 5999 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [1,0,0,1,0,0|2,0,0]=4 6000 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [1,0,0,1,0,0|2,0,0]=4 6001 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [1,0,0,1,0,0|2,0,0]=4 6002 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [1,0,0,1,0,0|2,0,0]=4 6003 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [1,0,0,1,0,0|2,0,0]=4 6004 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [1,0,0,1,0,0|2,0,0]=4 6005 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [1,0,0,1,0,0|2,0,0]=4 6006 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [1,0,0,1,0,0|2,0,0]=4 6007 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [1,0,0,1,0,0|2,0,0]=4 6008 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [1,0,0,1,0,0|2,0,0]=4 6009 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [1,0,0,1,0,0|2,0,0]=4 6010 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [1,0,0,1,0,0|2,0,0]=4 6011 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [1,0,0,1,0,0|2,0,0]=4 6012 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [1,0,0,1,0,0|2,0,0]=4 6013 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [1,0,0,1,0,0|2,0,0]=4 6014 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [1,0,0,1,0,0|2,0,0]=4 6015 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [1,0,0,1,0,0|2,0,0]=4 6016 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [1,0,0,1,0,0|2,0,0]=4 6017 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [1,0,0,1,0,0|2,0,0]=4 6018 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [1,0,0,1,0,0|2,0,0]=4 6019 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [1,0,0,1,0,0|2,0,0]=4 6020 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [1,0,0,1,0,0|2,0,0]=4 6021 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [1,0,0,1,0,0|2,0,0]=4 6022 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [1,0,0,1,0,0|2,0,0]=4 6023 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [1,0,0,1,0,0|2,0,0]=4 6024 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [1,0,0,1,0,0|2,0,0]=4 6025 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [1,0,0,1,0,0|2,0,0]=4 6026 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [1,0,0,1,0,0|2,0,0]=4 6027 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [1,0,0,1,0,0|2,0,0]=4 6028 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [1,0,0,1,0,0|2,0,0]=4 6029 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [1,0,0,1,0,0|2,0,0]=4 6030 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [1,0,0,1,0,0|2,0,0]=4 6031 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [1,0,0,1,0,0|2,0,0]=4 6032 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [1,0,0,1,0,0|2,0,0]=4 6033 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [1,0,0,1,0,0|2,0,0]=4 6034 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [1,0,0,1,0,0|2,0,0]=4 6035 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [1,0,0,1,0,0|2,0,0]=4 6036 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [1,0,0,1,0,0|2,0,0]=4 6037 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [1,0,0,1,0,0|1,0,0]=3 6038 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|2,0,0]=4 6039 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|2,0,0]=4 6040 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [1,0,0,1,0,0|1,0,0]=3 6041 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [1,0,0,1,0,0|1,0,0]=3 6042 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [1,0,0,1,0,0|2,0,0]=4 6043 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [1,0,0,1,0,0|2,0,0]=4 6044 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [1,0,0,1,0,0|1,0,0]=3 6045 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [1,0,0,1,0,0|1,0,0]=3 6046 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [1,0,0,1,0,0|1,1,0]=4 6047 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [1,0,0,1,0,0|1,1,0]=4 6048 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [1,0,0,1,0,0|1,0,0]=3 6049 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [1,0,0,1,0,0|1,0,0]=3 6050 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [1,0,0,1,0,0|2,0,0]=4 6051 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [1,0,0,1,0,0|2,0,0]=4 6052 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [1,0,0,1,0,0|2,0,0]=4 6053 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [1,0,0,1,0,0|2,0,0]=4 6054 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [1,0,0,1,0,0|1,0,0]=3 6055 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [1,0,0,1,0,0|1,0,0]=3 6056 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [1,0,0,1,0,0|1,0,0]=3 6057 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [1,0,0,1,0,0|2,0,0]=4 6058 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [1,0,0,1,0,0|2,0,0]=4 6059 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [1,0,0,1,0,0|2,0,0]=4 6060 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [1,0,0,1,0,0|1,0,0]=3 6061 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [1,0,0,1,0,0|1,0,0]=3 6062 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [1,0,0,1,0,0|2,0,0]=4 6063 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [1,0,0,1,0,0|2,0,0]=4 6064 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [1,0,0,1,0,0|1,0,0]=3 6065 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [1,0,0,1,0,0|1,0,0]=3 6066 B7R1.7 FCOC[C@@H]1CO1 34a_100000757423_100015361967 [1,0,0,1,0,0|2,0,0]=4 6067 B7R1.7 FCSCC1CO1 62a_100015361967_102125554688 [1,0,0,1,0,0|2,0,0]=4 6068 B7R1.7 FCSCC1CO1 62a_102125554688_100015361967 [1,0,0,1,0,0|2,0,0]=4 6069 B7R1.7 FCSC[C@@H]1CO1 62a_100000745022_100015361967 [1,0,0,1,0,0|2,0,0]=4 6070 B7R1.7 FCSC[C@@H]1CO1 62a_100015361967_100000745022 [1,0,0,1,0,0|2,0,0]=4 6071 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [1,0,0,1,0,0|2,0,0]=4 6072 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [1,0,0,1,0,0|2,0,0]=4 6073 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [1,0,0,1,0,0|2,0,0]=4 6074 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [1,0,0,1,0,0|1,0,0]=3 6075 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [1,0,0,1,0,0|2,0,0]=4 6076 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [1,0,0,1,0,0|2,0,0]=4 6077 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [1,0,0,1,0,0|1,0,0]=3 6078 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [1,0,0,1,0,0|1,0,0]=3 6079 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|0,0,2]=4 6080 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|0,0,2]=4 6081 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|0,0,2]=4 6082 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|0,0,2]=4 6083 B7R1.18 CC(C)N1CCC1 269982a_100000754969_100000210206 [1,0,0,1,0,0|2,0,0]=4 6084 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 6085 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 6086 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [1,0,0,1,0,0|2,0,0]=4 6087 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [1,0,0,1,0,0|2,0,0]=4 6088 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 6089 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 6090 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 6091 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 6092 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|0,0,2]=4 6093 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|0,0,2]=4 6094 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|0,0,2]=4 6095 B7R1.20 CC(C)NC1CC1 34a_100000212008_100000210206 [1,0,0,1,0,0|2,0,0]=4 6096 B7R1.20 CC(C)NC1CC1 34a_100138425928_100000211595 [1,0,0,1,0,0|2,0,0]=4 6097 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [1,0,0,1,0,0|2,0,0]=4 6098 B7R1.20 CC(C)SC1CC1 62a_100000210206_100000211595 [1,0,0,1,0,0|2,0,0]=4 6099 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 6100 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [1,0,0,1,0,0|2,0,0]=4 6101 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 6102 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [1,0,0,1,0,0|2,0,0]=4 6103 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 6104 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 6105 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|0,0,2]=4 6106 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 6107 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 6108 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,1,0,1,0,0|2,0,0]=4 6109 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 6110 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 6111 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,1,0,1,0,0|2,0,0]=4 6112 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,1,0,1,0,0|2,0,0]=4 6113 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,1,0,1,0,0|2,0,0]=4 6114 B9R1.2 CCN1CCOC(C1)O 2230a_100000688207_100000210202 [0,1,0,1,0,0|2,0,0]=4 6115 B9R1.2 CCN1CCOC(C1)O 269982a_100000688207_100000204670 [0,1,0,1,0,0|2,0,0]=4 6116 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [0,1,0,1,0,0|2,0,0]=4 6117 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [0,1,0,1,0,0|2,0,0]=4 6118 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [0,1,0,1,0,0|2,0,0]=4 6119 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,1,0,1,0,0|1,0,0]=3 6120 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,1,0,1,0,0|1,0,0]=3 6121 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,1,0,1,0,0|1,0,0]=3 6122 B9R1.2 CN1CCO[C@@H](C1)CO 2230a_100015189573_200000210301 [0,1,0,1,0,0|1,0,0]=3 6123 B9R1.2 CN1CCO[C@@H](C1)CO 269982a_100015189573_200000210301 [0,1,0,1,0,0|1,0,0]=3 6124 B9R1.2 CN1CCO[C@@H](C1)CO 34a_100015189573_200000210301 [0,1,0,1,0,0|1,0,0]=3 6125 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,1,0,1,0,0|2,0,0]=4 6126 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,1,0,1,0,0|2,0,0]=4 6127 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [0,1,0,1,0,0|2,0,0]=4 6128 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [0,1,0,1,0,0|2,0,0]=4 6129 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [0,1,0,1,0,0|2,0,0]=4 6130 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,1,0,1,0,0|1,0,0]=3 6131 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,1,0,1,0,0|1,0,0]=3 6132 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,1,0,1,0,0|1,0,0]=3 6133 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 2230a_100015189573_200025704644 [0,1,0,1,0,0|1,0,0]=3 6134 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 269982a_100015189573_200025704644 [0,1,0,1,0,0|1,0,0]=3 6135 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 34a_100015189573_200025704644 [0,1,0,1,0,0|1,0,0]=3 6136 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,1,0,1,0,0|2,0,0]=4 6137 B9R1.7 CC1CCC(C1)OCF 34a_100000698185_100015361967 [0,1,0,1,0,0|2,0,0]=4 6138 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,1,0,1,0,0|1,0,0]=3 6139 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,1,0,1,0,0|1,0,0]=3 6140 B9R1.7 CCCN1CC[C@@H](C1)F 2230a_100015203821_100000210303 [0,1,0,1,0,0|2,0,0]=4 6141 B9R1.7 CCCN1CC[C@@H](C1)F 269982a_100015203821_100000210303 [0,1,0,1,0,0|2,0,0]=4 6142 B9R1.7 CCCN1CC[C@@H](C1)F 34a_100015203821_100000210303 [0,1,0,1,0,0|2,0,0]=4 6143 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,1,0,1,0,0|2,0,0]=4 6144 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,1,0,1,0,0|2,0,0]=4 6145 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,1,0,1,0,0|2,0,0]=4 6146 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,1,0,1,0,0|2,0,0]=4 6147 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,1,0,1,0,0|1,0,0]=3 6148 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,1,0,1,0,0|1,0,0]=3 6149 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,1,0,1,0,0|2,0,0]=4 6150 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,1,0,1,0,0|2,0,0]=4 6151 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,1,0,1,0,0|2,0,0]=4 6152 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,1,0,1,0,0|2,0,0]=4 6153 B9R1.7 COCC1CCN(C1)C 2230a_100025706693_200000210301 [0,1,0,1,0,0|2,0,0]=4 6154 B9R1.7 COCC1CCN(C1)C 269982a_100025706693_200000210301 [0,1,0,1,0,0|2,0,0]=4 6155 B9R1.7 COCC1CCN(C1)C 34a_100025706693_200000210301 [0,1,0,1,0,0|2,0,0]=4 6156 B9R1.7 COCC1CCN(C1)C 34a_100138415774_200000690779 [0,1,0,1,0,0|2,0,0]=4 6157 B9R1.7 COCC1CCN(C1)[13CH3] 2230a_100025706693_200025704644 [0,1,0,1,0,0|2,0,0]=4 6158 B9R1.7 COCC1CCN(C1)[13CH3] 269982a_100025706693_200025704644 [0,1,0,1,0,0|2,0,0]=4 6159 B9R1.7 COCC1CCN(C1)[13CH3] 34a_100025706693_200025704644 [0,1,0,1,0,0|2,0,0]=4 6160 B9R1.7 COCN1CCC(C1)O 2230a_100011215560_100000766300 [0,1,0,1,0,0|2,0,0]=4 6161 B9R1.7 COCN1CCC(C1)O 269982a_100011215560_100000766300 [0,1,0,1,0,0|2,0,0]=4 6162 B9R1.7 COCN1CC[C@H](C1)C 2230a_100016987628_100000766300 [0,1,0,1,0,0|2,0,0]=4 6163 B9R1.7 COCN1CC[C@H](C1)C 269982a_100016987628_100000766300 [0,1,0,1,0,0|2,0,0]=4 6164 B9R1.7 COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_200000210301 [0,1,0,1,0,0|2,0,0]=4 6165 B9R1.7 CSCN1CCC(C1)O 2230a_100011215560_100011218213 [0,1,0,1,0,0|2,0,0]=4 6166 B9R1.7 CSCN1CCC(C1)O 269982a_100011215560_100011218213 [0,1,0,1,0,0|2,0,0]=4 6167 B9R1.7 C[C@@H]1CCN(C1)CCO 2230a_100016987628_100000211926 [0,1,0,1,0,0|2,0,0]=4 6168 B9R1.7 C[C@@H]1CCN(C1)CCO 269982a_100016987628_100000211926 [0,1,0,1,0,0|2,0,0]=4 6169 B9R1.7 C[C@@H]1CCN(C1)CCO 34a_100016987628_100000211926 [0,1,0,1,0,0|2,0,0]=4 6170 B9R1.7 OC1CCN(C1)CCF 2230a_100011215560_100011217306 [0,1,0,1,0,0|2,0,0]=4 6171 B9R1.7 OC1CCN(C1)CCF 269982a_100011215560_100011217306 [0,1,0,1,0,0|2,0,0]=4 6172 B9R1.7 OCCN1CCC(C1)O 2230a_100011215560_100000211926 [0,1,0,1,0,0|2,0,0]=4 6173 B9R1.7 OCCN1CCC(C1)O 269982a_100011215560_100000211926 [0,1,0,1,0,0|2,0,0]=4 6174 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,1,0,1,0,0|2,0,0]=4 6175 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,1,0,1,0,0|2,0,0]=4 6176 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,1,0,1,0,0|2,0,0]=4 6177 B9R1.7 [13CH3]OC[C@@H]1C[C@@H](CN1)F 34a_100015204000_200025704644 [0,1,0,1,0,0|2,0,0]=4 6178 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,1,0,1,0,0|2,0,0]=4 6179 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,1,0,1,0,0|2,0,0]=4 6180 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,1,0,1,0,0|2,0,0]=4 6181 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,1,0,1,0,0|2,0,0]=4 6182 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,1,0,1,0,0|2,0,0]=4 6183 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,1,0,1,0,0|2,0,0]=4 6184 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,1,0,1,0,0|1,0,0]=3 6185 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,1,0,1,0,0|2,0,0]=4 6186 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,1,0,1,0,0|2,0,0]=4 6187 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,1,0,1,0,0|2,0,0]=4 6188 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,1,0,1,0,0|2,0,0]=4 6189 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,1,0,1,0,0|2,0,0]=4 6190 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,1,0,1,0,0|2,0,0]=4 6191 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,1,0,1,0,0|2,0,0]=4 6192 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,1,0,1,0,0|2,0,0]=4 6193 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,1,0,1,0,0|1,0,0]=3 6194 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,1,0,1,0,0|1,0,0]=3 6195 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,1,0,1,0,0|1,0,0]=3 6196 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,1,0,1,0,0|1,0,0]=3 6197 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,1,0,1,0,0|1,0,0]=3 6198 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [0,1,0,1,0,0|2,0,0]=4 6199 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [0,1,0,1,0,0|2,0,0]=4 6200 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,1,0,1,0,0|0,0,2]=4 6201 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,1,0,1,0,0|1,0,0]=3 6202 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,1,0,1,0,0|1,0,0]=3 6203 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,1,0,1,0,0|1,0,0]=3 6204 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,1,0,1,0,0|1,0,0]=3 6205 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,1,0,1,0,0|0,0,0]=2 6206 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,1,0,1,0,0|0,0,0]=2 6207 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,1,0,1,0,0|0,0,0]=2 6208 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [0,1,0,1,0,0|2,0,0]=4 6209 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,1,0,1,0,0|2,0,0]=4 6210 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,1,0,1,0,0|2,0,0]=4 6211 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [0,1,0,1,0,0|2,0,0]=4 6212 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,1,0,1,0,0|2,0,0]=4 6213 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,1,0,1,0,0|2,0,0]=4 6214 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,1,0,1,0,0|2,0,0]=4 6215 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,1,0,1,0,0|2,0,0]=4 6216 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [0,1,0,1,0,0|1,0,0]=3 6217 B9R1.8 COC[C@@H]1COCCN1 34a_100000717676_200000210301 [0,1,0,1,0,0|2,0,0]=4 6218 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [0,1,0,1,0,0|1,0,0]=3 6219 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,1,0,1,0,0|1,1,0]=4 6220 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,1,0,1,0,0|1,1,0]=4 6221 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,1,0,1,0,0|0,1,0]=3 6222 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,1,0,1,0,0|0,1,0]=3 6223 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [0,1,0,1,0,0|2,0,0]=4 6224 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,1,0,1,0,0|2,0,0]=4 6225 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,1,0,1,0,0|2,0,0]=4 6226 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [0,1,0,1,0,0|1,0,0]=3 6227 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [0,1,0,1,0,0|2,0,0]=4 6228 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [0,1,0,1,0,0|2,0,0]=4 6229 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,1,0,1,0,0|2,0,0]=4 6230 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,1,0,1,0,0|2,0,0]=4 6231 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,1,0,1,0,0|1,0,0]=3 6232 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,1,0,1,0,0|1,0,0]=3 6233 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [0,1,0,1,0,0|2,0,0]=4 6234 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [0,1,0,1,0,0|2,0,0]=4 6235 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,1,0,1,0,0|0,0,2]=4 6236 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,1,0,1,0,0|1,0,0]=3 6237 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,1,0,1,0,0|1,0,0]=3 6238 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,1,0,1,0,0|1,0,0]=3 6239 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,1,0,1,0,0|0,0,0]=2 6240 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,1,0,1,0,0|0,0,0]=2 6241 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [0,1,0,1,0,0|2,0,0]=4 6242 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,1,0,1,0,0|2,0,0]=4 6243 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [0,1,0,1,0,0|2,0,0]=4 6244 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,1,0,1,0,0|2,0,0]=4 6245 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,1,0,1,0,0|2,0,0]=4 6246 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,1,0,1,0,0|2,0,0]=4 6247 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [0,1,0,1,0,0|1,0,0]=3 6248 B9R1.8 [13CH3]OC[C@@H]1COCCN1 34a_100000717676_200025704644 [0,1,0,1,0,0|2,0,0]=4 6249 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [0,1,0,1,0,0|1,0,0]=3 6250 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,1,0,1,0,0|1,1,0]=4 6251 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,1,0,1,0,0|1,1,0]=4 6252 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,1,0,1,0,0|0,1,0]=3 6253 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,1,0,1,0,0|0,1,0]=3 6254 B9R1.9 CCCCN1CC(C1)O 269982a_100000749847_100000210211 [0,1,0,1,0,0|2,0,0]=4 6255 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210303 [0,1,0,1,0,0|2,0,0]=4 6256 B9R1.9 CCNCC1CC(C1)O 2230a_100016992100_100000210202 [0,1,0,1,0,0|2,0,0]=4 6257 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [0,1,0,1,0,0|2,0,0]=4 6258 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [0,1,0,1,0,0|2,0,0]=4 6259 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [0,1,0,1,0,0|2,0,0]=4 6260 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [0,1,0,1,0,0|2,0,0]=4 6261 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,1,0,1,0,0|2,0,0]=4 6262 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [0,1,0,1,0,0|2,0,0]=4 6263 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [0,1,0,1,0,0|2,0,0]=4 6264 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [0,1,0,1,0,0|2,0,0]=4 6265 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [0,1,0,1,0,0|2,0,0]=4 6266 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [0,1,0,1,0,0|2,0,0]=4 6267 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [0,1,0,1,0,0|2,0,0]=4 6268 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [0,1,0,1,0,0|2,0,0]=4 6269 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [0,1,0,1,0,0|2,0,0]=4 6270 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [0,1,0,1,0,0|2,0,0]=4 6271 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [0,1,0,1,0,0|2,0,0]=4 6272 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [0,1,0,1,0,0|2,0,0]=4 6273 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [0,1,0,1,0,0|2,0,0]=4 6274 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,1,0,1,0,0|2,0,0]=4 6275 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,1,0,1,0,0|2,0,0]=4 6276 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [0,1,0,1,0,0|2,0,0]=4 6277 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [0,1,0,1,0,0|2,0,0]=4 6278 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [0,1,0,1,0,0|1,0,0]=3 6279 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [0,1,0,1,0,0|2,0,0]=4 6280 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [0,1,0,1,0,0|2,0,0]=4 6281 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [0,1,0,1,0,0|2,0,0]=4 6282 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [0,1,0,1,0,0|2,0,0]=4 6283 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [0,1,0,1,0,0|2,0,0]=4 6284 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [0,1,0,1,0,0|2,0,0]=4 6285 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [0,1,0,1,0,0|2,0,0]=4 6286 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [0,1,0,1,0,0|2,0,0]=4 6287 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [0,1,0,1,0,0|2,0,0]=4 6288 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [0,1,0,1,0,0|2,0,0]=4 6289 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [0,1,0,1,0,0|2,0,0]=4 6290 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [0,1,0,1,0,0|2,0,0]=4 6291 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [0,1,0,1,0,0|2,0,0]=4 6292 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [0,1,0,1,0,0|2,0,0]=4 6293 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [0,1,0,1,0,0|2,0,0]=4 6294 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [0,1,0,1,0,0|2,0,0]=4 6295 B9R1.12 FCOCC1COCO1 34a_100011216627_100015361967 [0,1,0,1,0,0|2,0,0]=4 6296 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [0,1,0,1,0,0|2,0,0]=4 6297 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [0,1,0,1,0,0|2,0,0]=4 6298 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [0,1,0,1,0,0|2,0,0]=4 6299 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [0,1,0,1,0,0|2,0,0]=4 6300 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [0,1,0,1,0,0|2,0,0]=4 6301 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [0,1,0,1,0,0|2,0,0]=4 6302 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,1,0,1,0,0|1,0,0]=3 6303 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,1,0,1,0,0|1,0,0]=3 6304 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [0,1,0,1,0,0|2,0,0]=4 6305 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [0,1,0,1,0,0|2,0,0]=4 6306 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [0,1,0,1,0,0|2,0,0]=4 6307 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [0,1,0,1,0,0|2,0,0]=4 6308 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,1,0,1,0,0|2,0,0]=4 6309 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,1,0,1,0,0|2,0,0]=4 6310 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,1,0,1,0,0|2,0,0]=4 6311 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,1,0,1,0,0|2,0,0]=4 6312 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,1,0,1,0,0|2,0,0]=4 6313 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,1,0,1,0,0|2,0,0]=4 6314 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,1,0,1,0,0|2,0,0]=4 6315 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,1,0,1,0,0|2,0,0]=4 6316 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,1,0,1,0,0|2,0,0]=4 6317 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [0,1,0,1,0,0|1,0,0]=3 6318 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [0,1,0,1,0,0|1,0,0]=3 6319 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [0,1,0,1,0,0|1,0,0]=3 6320 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [0,1,0,1,0,0|2,0,0]=4 6321 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [0,1,0,1,0,0|2,0,0]=4 6322 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [0,1,0,1,0,0|2,0,0]=4 6323 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [0,1,0,1,0,0|2,0,0]=4 6324 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [0,1,0,1,0,0|2,0,0]=4 6325 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [0,1,0,1,0,0|2,0,0]=4 6326 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [0,1,0,1,0,0|2,0,0]=4 6327 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [0,1,0,1,0,0|2,0,0]=4 6328 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,1,0,1,0,0|1,0,0]=3 6329 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [0,1,0,1,0,0|2,0,0]=4 6330 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [0,1,0,1,0,0|2,0,0]=4 6331 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [0,1,0,1,0,0|2,0,0]=4 6332 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [0,1,0,1,0,0|2,0,0]=4 6333 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,1,0,0|0,0,2]=4 6334 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,1,0,0|0,0,2]=4 6335 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,1,0,1,0,0|1,0,0]=3 6336 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,1,0,1,0,0|1,0,0]=3 6337 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [0,1,0,1,0,0|1,0,0]=3 6338 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [0,1,0,1,0,0|1,0,0]=3 6339 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [0,1,0,1,0,0|1,0,0]=3 6340 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,1,0,1,0,0|0,0,0]=2 6341 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [0,1,0,1,0,0|2,0,0]=4 6342 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [0,1,0,1,0,0|2,0,0]=4 6343 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [0,1,0,1,0,0|1,0,0]=3 6344 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [0,1,0,1,0,0|1,0,0]=3 6345 B9R1.15 CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200000210301 [0,1,0,1,0,0|2,0,0]=4 6346 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,1,0,1,0,0|1,0,0]=3 6347 B9R1.15 CO[C@H]1CCOC[C@@H]1N 34a_100015739063_200000210301 [0,1,0,1,0,0|2,0,0]=4 6348 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [0,1,0,1,0,0|2,0,0]=4 6349 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [0,1,0,1,0,0|1,1,0]=4 6350 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [0,1,0,1,0,0|1,1,0]=4 6351 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,1,0,1,0,0|0,1,0]=3 6352 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,1,0,1,0,0|0,1,0]=3 6353 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [0,1,0,1,0,0|1,0,0]=3 6354 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [0,1,0,1,0,0|1,0,0]=3 6355 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [0,1,0,1,0,0|1,0,0]=3 6356 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [0,1,0,1,0,0|2,0,0]=4 6357 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [0,1,0,1,0,0|2,0,0]=4 6358 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [0,1,0,1,0,0|2,0,0]=4 6359 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [0,1,0,1,0,0|2,0,0]=4 6360 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [0,1,0,1,0,0|2,0,0]=4 6361 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [0,1,0,1,0,0|2,0,0]=4 6362 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [0,1,0,1,0,0|2,0,0]=4 6363 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,1,0,0|0,0,2]=4 6364 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [0,1,0,1,0,0|1,0,0]=3 6365 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [0,1,0,1,0,0|1,0,0]=3 6366 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [0,1,0,1,0,0|1,0,0]=3 6367 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [0,1,0,1,0,0|1,0,0]=3 6368 B9R1.15 [13CH3]O[C@@H]1CCNC[C@@H]1F 34a_200016994291_200025704644 [0,1,0,1,0,0|2,0,0]=4 6369 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,1,0,1,0,0|1,0,0]=3 6370 B9R1.15 [13CH3]O[C@H]1CCOC[C@@H]1N 34a_100015739063_200025704644 [0,1,0,1,0,0|2,0,0]=4 6371 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [0,1,0,1,0,0|2,0,0]=4 6372 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [0,1,0,1,0,0|1,1,0]=4 6373 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [0,1,0,1,0,0|1,1,0]=4 6374 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,1,0,1,0,0|0,1,0]=3 6375 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,1,0,1,0,0|0,1,0]=3 6376 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200000210301 [0,1,0,1,0,0|2,0,0]=4 6377 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200000210301 [0,1,0,1,0,0|2,0,0]=4 6378 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200025704644 [0,1,0,1,0,0|2,0,0]=4 6379 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200025704644 [0,1,0,1,0,0|2,0,0]=4 6380 B9R1.27 CC1CCC(N1CF)C 269982a_100000687148_100015361967 [0,1,0,1,0,0|2,0,0]=4 6381 B9R1.27 CC1CCC(N1CF)C 34a_100000687148_100015361967 [0,1,0,1,0,0|2,0,0]=4 6382 B9R1.27 CCN1C(CCC1C)C 2230a_100000687148_100000210202 [0,1,0,1,0,0|2,0,0]=4 6383 B9R1.27 CCN1C(CCC1C)C 269982a_100000687148_100000204670 [0,1,0,1,0,0|2,0,0]=4 6384 B9R1.27 CCN1C(CCC1C)C 34a_100000687148_100000210202 [0,1,0,1,0,0|2,0,0]=4 6385 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [0,1,0,1,0,0|1,0,0]=3 6386 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [0,1,0,1,0,0|1,0,0]=3 6387 B9R1.33 CCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210202 [0,1,0,1,0,0|2,0,0]=4 6388 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [0,1,0,1,0,0|1,0,0]=3 6389 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [0,1,0,1,0,0|1,0,0]=3 6390 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [0,1,0,1,0,0|2,0,0]=4 6391 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [0,1,0,1,0,0|2,0,0]=4 6392 B9R1.33 OC1COCC1SCF 62a_100015361967_200000725654 [0,1,0,1,0,0|2,0,0]=4 6393 B9R1.33 OC1COCC1SCF 62a_200000725654_100015361967 [0,1,0,1,0,0|2,0,0]=4 6394 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,1,0,1,0,0|1,0,0]=3 6395 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,1,0,1,0,0|1,0,0]=3 6396 B9R1.48 CN1CCOC[C@@H](C1)O 2230a_100016073750_200000210301 [0,1,0,1,0,0|1,0,0]=3 6397 B9R1.48 CN1CCOC[C@@H](C1)O 269982a_100016073750_200000210301 [0,1,0,1,0,0|1,0,0]=3 6398 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,1,0,1,0,0|1,0,0]=3 6399 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,1,0,1,0,0|1,0,0]=3 6400 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 2230a_100016073750_200025704644 [0,1,0,1,0,0|1,0,0]=3 6401 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 269982a_100016073750_200025704644 [0,1,0,1,0,0|1,0,0]=3 6402 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 6403 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 6404 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,1,0,1,0,0|2,0,0]=4 6405 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 6406 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 6407 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,1,0,1,0,0|2,0,0]=4 6408 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,1,0,1,0,0|1,0,0]=3 6409 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,1,0,1,0,0|1,0,0]=3 6410 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,1,0,1,0,0|1,0,0]=3 6411 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,1,0,1,0,0|1,0,0]=3 6412 B9R1.58 CCC1CN(C1)CCO 2230a_100015205115_100000211926 [0,1,0,1,0,0|2,0,0]=4 6413 B9R1.58 CCC1CN(C1)CCO 269982a_100015205115_100000211926 [0,1,0,1,0,0|2,0,0]=4 6414 B9R1.58 CCC1CN(C1)COC 2230a_100015205115_100000766300 [0,1,0,1,0,0|2,0,0]=4 6415 B9R1.58 CCC1CN(C1)COC 269982a_100015205115_100000766300 [0,1,0,1,0,0|2,0,0]=4 6416 B9R1.58 CCCN1CC(C1)CC 2230a_100015205115_100000210303 [0,1,0,1,0,0|2,0,0]=4 6417 B9R1.58 CCCN1CC(C1)CC 269982a_100015205115_100000210303 [0,1,0,1,0,0|2,0,0]=4 6418 B9R1.58 CCCN1CC(C1)CF 269982a_100010363649_100000210303 [0,1,0,1,0,0|2,0,0]=4 6419 B9R1.58 CCCN1CC(C1)CF 34a_100010363649_100000210303 [0,1,0,1,0,0|2,0,0]=4 6420 B9R1.58 CCCN1CC(C1)CO 269982a_100016987283_100000210303 [0,1,0,1,0,0|1,0,0]=3 6421 B9R1.58 CCCN1CC(C1)CO 34a_100016987283_100000210303 [0,1,0,1,0,0|1,0,0]=3 6422 B9R1.58 CCN1CC(C1)COC 2230a_100016993750_100000210202 [0,1,0,1,0,0|2,0,0]=4 6423 B9R1.58 CCN1CC(C1)COC 269982a_100016993750_100000204670 [0,1,0,1,0,0|2,0,0]=4 6424 B9R1.58 CCN1CC(C1)COC 34a_100016993750_100000210202 [0,1,0,1,0,0|2,0,0]=4 6425 B9R1.58 CCNC1CC(C1)CO 270004a_100015525214_100000101936 [0,1,0,1,0,0|1,0,0]=3 6426 B9R1.58 CCSC1CC(C1)CO 62a_100000210202_100009874164 [0,1,0,1,0,0|1,0,0]=3 6427 B9R1.58 CCSC1CC(C1)CO 62a_100009874164_100000210202 [0,1,0,1,0,0|1,0,0]=3 6428 B9R1.58 CNC1CC(C1)COC 2230a_100012180050_200000210301 [0,1,0,1,0,0|2,0,0]=4 6429 B9R1.58 CNC1CC(C1)COC 270004a_106832991635_100010371266 [0,1,0,1,0,0|2,0,0]=4 6430 B9R1.58 COCC1CC(C1)N[13CH3] 2230a_100012180050_200025704644 [0,1,0,1,0,0|2,0,0]=4 6431 B9R1.58 COCN1CC(C1)CO 269982a_100016987283_100000766300 [0,1,0,1,0,0|2,0,0]=4 6432 B9R1.58 CSCN1CC(C1)CO 269982a_100016987283_100011218213 [0,1,0,1,0,0|2,0,0]=4 6433 B9R1.58 CSCN1CC(C1)CO 34a_100016987283_100011218213 [0,1,0,1,0,0|2,0,0]=4 6434 B9R1.58 OCC1CC(C1)SCF 62a_100009874164_100015361967 [0,1,0,1,0,0|2,0,0]=4 6435 B9R1.58 OCC1CC(C1)SCF 62a_100015361967_100009874164 [0,1,0,1,0,0|2,0,0]=4 6436 B9R1.58 OCC1CN(C1)CCF 269982a_100016987283_100011217306 [0,1,0,1,0,0|2,0,0]=4 6437 B9R1.58 OCC1CN(C1)CCF 34a_100016987283_100011217306 [0,1,0,1,0,0|2,0,0]=4 6438 B9R1.58 OCCN1CC(C1)CO 269982a_100016987283_100000211926 [0,1,0,1,0,0|2,0,0]=4 6439 B9R1.58 OCCN1CC(C1)CO 34a_100016987283_100000211926 [0,1,0,1,0,0|2,0,0]=4 6440 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,1,0,1,0,0|2,0,0]=4 6441 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,1,0,1,0,0|2,0,0]=4 6442 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,1,0,1,0,0|2,0,0]=4 6443 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,1,0,1,0,0|2,0,0]=4 6444 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,1,0,1,0,0|2,0,0]=4 6445 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,1,0,1,0,0|2,0,0]=4 6446 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,1,0,1,0,0|2,0,0]=4 6447 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,1,0,1,0,0|2,0,0]=4 6448 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200000210301 [0,1,0,1,0,0|2,0,0]=4 6449 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200000210301 [0,1,0,1,0,0|2,0,0]=4 6450 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [0,1,0,1,0,0|1,0,0]=3 6451 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [0,1,0,1,0,0|1,0,0]=3 6452 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 2230a_100016991869_200000210301 [0,1,0,1,0,0|2,0,0]=4 6453 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 269982a_100016991869_200000210301 [0,1,0,1,0,0|2,0,0]=4 6454 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 34a_100016991869_200000210301 [0,1,0,1,0,0|2,0,0]=4 6455 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 2230a_100016991869_200025704644 [0,1,0,1,0,0|2,0,0]=4 6456 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 269982a_100016991869_200025704644 [0,1,0,1,0,0|2,0,0]=4 6457 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 34a_100016991869_200025704644 [0,1,0,1,0,0|2,0,0]=4 6458 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200025704644 [0,1,0,1,0,0|2,0,0]=4 6459 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200025704644 [0,1,0,1,0,0|2,0,0]=4 6460 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [0,1,0,1,0,0|1,0,0]=3 6461 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [0,1,0,1,0,0|1,0,0]=3 6462 B9R1.73 CC(CCO)N1CCC1 269982a_100000754969_100009893172 [0,1,0,1,0,0|2,0,0]=4 6463 B9R1.73 CC(NCF)C1CCC1 34a_100016994624_100015361967 [0,1,0,1,0,0|2,0,0]=4 6464 B9R1.73 CC(OCF)C1CCC1 34a_100000766398_100015361967 [0,1,0,1,0,0|2,0,0]=4 6465 B9R1.73 CC(OCF)C1CCC1 7a_100000766398_100015361967 [0,1,0,1,0,0|2,0,0]=4 6466 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|1,0,1]=4 6467 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,1,0,1,0,0|1,0,1]=4 6468 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,1,0,1,0,0|1,0,1]=4 6469 B9R1.73 CCCN(C)C1COC1 2230a_100102693430_100000210303 [0,1,0,1,0,0|2,0,0]=4 6470 B9R1.73 CCCN(C)C1COC1 269982a_100000747261_100000687716 [0,1,0,1,0,0|2,0,0]=4 6471 B9R1.73 CCCN(C)C1COC1 269982a_100102693430_100000210303 [0,1,0,1,0,0|2,0,0]=4 6472 B9R1.73 CCNC(C)C1CCC1 2230a_100016994624_100000210202 [0,1,0,1,0,0|2,0,0]=4 6473 B9R1.73 CCNC(C)C1CCC1 269862a_100015525214_100000760154 [0,1,0,1,0,0|2,0,0]=4 6474 B9R1.73 CCNC(C)C1CCC1 34a_100016994624_100000210202 [0,1,0,1,0,0|2,0,0]=4 6475 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [0,1,0,1,0,0|2,0,0]=4 6476 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [0,1,0,1,0,0|2,0,0]=4 6477 B9R1.73 CN(CCO)C1CCC1 2230a_100000758072_100000211926 [0,1,0,1,0,0|2,0,0]=4 6478 B9R1.73 CN(CCO)C1CCC1 269982a_100000210263_100000749161 [0,1,0,1,0,0|2,0,0]=4 6479 B9R1.73 CN(CCO)C1CCC1 269982a_100000758072_100000211926 [0,1,0,1,0,0|2,0,0]=4 6480 B9R1.73 CN(CCO)C1CCC1 270004a_100000210263_100000241760 [0,1,0,1,0,0|2,0,0]=4 6481 B9R1.73 CN(CCO)C1CCC1 34a_100000758072_100000211926 [0,1,0,1,0,0|2,0,0]=4 6482 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [0,1,0,1,0,0|0,0,2]=4 6483 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [0,1,0,1,0,0|0,0,2]=4 6484 B9R1.73 COCC(C)N1CCC1 269982a_100000754969_100000765312 [0,1,0,1,0,0|2,0,0]=4 6485 B9R1.73 COCN(C)C1CCC1 2230a_100000758072_100000766300 [0,1,0,1,0,0|2,0,0]=4 6486 B9R1.73 COCN(C)C1CCC1 269982a_100000758072_100000766300 [0,1,0,1,0,0|2,0,0]=4 6487 B9R1.73 COC[C@@H](N)C1COC1 34a_217856628679_200000210301 [0,1,0,1,0,0|2,0,0]=4 6488 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [0,1,0,1,0,0|0,0,2]=4 6489 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [0,1,0,1,0,0|0,0,2]=4 6490 B9R1.73 [13CH3]OC[C@@H](N)C1COC1 34a_217856628679_200025704644 [0,1,0,1,0,0|2,0,0]=4 6491 B9R1.75 CC(CCO)NC1CC1 34a_100000212008_100009893172 [0,1,0,1,0,0|2,0,0]=4 6492 B9R1.75 CC(CCO)SC1CC1 62a_100009893172_100000211595 [0,1,0,1,0,0|2,0,0]=4 6493 B9R1.75 CCNC(C)CC1CC1 270004a_100015525214_200000686933 [0,1,0,1,0,0|2,0,0]=4 6494 B9R1.75 CN(CCO)CC1CC1 2230a_100000210263_100000742324 [0,1,0,1,0,0|2,0,0]=4 6495 B9R1.75 CN(CCO)CC1CC1 2230a_100000741881_100000211926 [0,1,0,1,0,0|2,0,0]=4 6496 B9R1.75 CN(CCO)CC1CC1 269982a_100000210263_100000756562 [0,1,0,1,0,0|2,0,0]=4 6497 B9R1.75 CN(CCO)CC1CC1 269982a_100000741881_100000211926 [0,1,0,1,0,0|2,0,0]=4 6498 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [0,1,0,1,0,0|0,0,2]=4 6499 B9R1.75 COCC(C)NC1CC1 34a_100000212008_100000765312 [0,1,0,1,0,0|2,0,0]=4 6500 B9R1.75 COCC(C)SC1CC1 62a_100000765312_100000211595 [0,1,0,1,0,0|2,0,0]=4 6501 B9R1.75 COCN(C)CC1CC1 2230a_100000741881_100000766300 [0,1,0,1,0,0|2,0,0]=4 6502 B9R1.75 COCN(C)CC1CC1 269982a_100000741881_100000766300 [0,1,0,1,0,0|2,0,0]=4 6503 B9R1.75 COC[C@@H](C)OC1CC1 34a_100011934205_100000211595 [0,1,0,1,0,0|2,0,0]=4 6504 B9R1.75 C[C@H](CCO)NC1CC1 34a_100000706166_100000211595 [0,1,0,1,0,0|2,0,0]=4 6505 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [0,1,0,1,0,0|0,0,2]=4 6506 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [0,1,0,1,0,0|0,0,2]=4 6507 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,1,0,1,0,0|0,0,2]=4 6508 B9R1.100 CCCNC(C)C1CO1 270004a_100020643023_100000031964 [0,1,0,1,0,0|2,0,0]=4 6509 B9R1.100 CCNCC(O)C1CC1 2230a_100000751198_100000210202 [0,1,0,1,0,0|2,0,0]=4 6510 B9R1.100 CCNCC(O)C1CC1 34a_100000751198_100000210202 [0,1,0,1,0,0|2,0,0]=4 6511 B9R1.117 CCCNC1(COC1)C 2230a_100000732644_100000210303 [0,1,0,1,0,0|2,0,0]=4 6512 B9R1.117 CCNCC1(CCC1)O 2230a_100000752638_100000210202 [0,1,0,1,0,0|2,0,0]=4 6513 B9R1.117 CCNCC1(COC1)C 2230a_100015525214_100000066812 [0,1,0,1,0,0|2,0,0]=4 6514 B9R1.117 CCNCC1(COC1)C 2230a_100020631278_100000210202 [0,1,0,1,0,0|2,0,0]=4 6515 B9R1.117 CCNCC1(COC1)C 269862a_100015525214_100000050806 [0,1,0,1,0,0|2,0,0]=4 6516 B9R1.117 CCNCC1(COC1)O 2230a_100010264505_100000210202 [0,1,0,1,0,0|1,0,0]=3 6517 B9R1.117 CCOCC1(COC1)C 34a_100121572206_100009817586 [0,1,0,1,0,0|2,0,0]=4 6518 B9R1.117 CCSCC1(COC1)C 62a_100000210202_100009817586 [0,1,0,1,0,0|2,0,0]=4 6519 B9R1.117 CCSCC1(COC1)C 62a_100009817586_100000210202 [0,1,0,1,0,0|2,0,0]=4 6520 B9R1.134 CC1(CCCC1)OCF 34a_100000751722_100015361967 [0,1,0,1,0,0|2,0,0]=4 6521 B9R1.134 CC1(CCCC1)OCF 7a_100000751722_100015361967 [0,1,0,1,0,0|2,0,0]=4 6522 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [0,1,0,1,0,0|2,0,0]=4 6523 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [0,1,0,1,0,0|2,0,0]=4 6524 B9R1.134 CNCC1(CCCC1)O 2230a_100000737848_200000210301 [0,1,0,1,0,0|1,0,0]=3 6525 B9R1.134 COCC1(CCCC1)N 34a_100000749328_200000210301 [0,1,0,1,0,0|1,0,0]=3 6526 B9R1.134 COC[C@@]1(CCCN1)C 34a_100016195882_200000210301 [0,1,0,1,0,0|2,0,0]=4 6527 B9R1.134 C[C@]1(CCCN1)CO[13CH3] 34a_100016195882_200025704644 [0,1,0,1,0,0|2,0,0]=4 6528 B9R1.134 [13CH3]NCC1(CCCC1)O 2230a_100000737848_200025704644 [0,1,0,1,0,0|1,0,0]=3 6529 B9R1.134 [13CH3]OCC1(CCCC1)N 34a_100000749328_200025704644 [0,1,0,1,0,0|1,0,0]=3 6530 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [0,1,0,1,0,0|0,0,2]=4 6531 B9R1.11 CC(CO)N1CCCC1 2230a_100000188435_100012180447 [0,1,0,1,0,0|1,0,0]=3 6532 B9R1.11 CC(CO)N1CCSC1 2230a_100011215254_100012180447 [0,1,0,1,0,0|2,0,0]=4 6533 B9R1.11 CCC(C)N1CCCC1 2230a_100000188435_100000758301 [0,1,0,1,0,0|2,0,0]=4 6534 B9R1.11 CCC(C)N1CCCC1 269982a_100000188435_100000758301 [0,1,0,1,0,0|2,0,0]=4 6535 B9R1.11 C[C@H](CO)N1CCCC1 269982a_100000188435_100016084084 [0,1,0,1,0,0|1,0,0]=3 6536 B9R1.11 C[C@H](CO)N1CCSC1 269982a_100011215254_100016084084 [0,1,0,1,0,0|2,0,0]=4 6537 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,1,0,0|0,0,2]=4 6538 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,1,0,0|0,0,2]=4 6539 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,1,0,0|0,0,2]=4 6540 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,1,0,0|0,0,2]=4 6541 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [0,1,0,1,0,0|1,0,1]=4 6542 B9R1.82 CC(CO)N1CC(C1)F 2230a_100000690557_100012180447 [0,1,0,1,0,0|2,0,0]=4 6543 B9R1.82 CC(CO)N1CC(C1)F 34a_100000690557_100012180447 [0,1,0,1,0,0|2,0,0]=4 6544 B9R1.82 CC1CN(C1)C(C)CO 2230a_100000702820_100012180447 [0,1,0,1,0,0|2,0,0]=4 6545 B9R1.82 CC1CN(C1)C(C)CO 34a_100000702820_100012180447 [0,1,0,1,0,0|2,0,0]=4 6546 B9R1.82 CC1CN(C1)[C@H](C)CO 269982a_100000702820_100016084084 [0,1,0,1,0,0|2,0,0]=4 6547 B9R1.82 C[C@H](CO)N1CC(C1)F 269982a_100000690557_100016084084 [0,1,0,1,0,0|2,0,0]=4 6548 B9R1.82 C[C@H](CO)N1CC(C1)O 269982a_100000749847_100016084084 [0,1,0,1,0,0|2,0,0]=4 6549 B9R1.101 CC(CO)N(C)C1CC1 2230a_100000226674_100012180447 [0,1,0,1,0,0|2,0,0]=4 6550 B9R1.101 CC(CO)N(C)C1CC1 269982a_100000693034_100000211595 [0,1,0,1,0,0|2,0,0]=4 6551 B9R1.101 C[C@H](CO)N(C)C1CC1 269982a_100000226674_100016084084 [0,1,0,1,0,0|2,0,0]=4 6552 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [0,1,0,1,0,0|1,0,0]=3 6553 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [0,1,0,1,0,0|1,0,0]=3 6554 B9R1.135 COCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000766300 [0,1,0,1,0,0|2,0,0]=4 6555 B9R1.135 COCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000766300 [0,1,0,1,0,0|2,0,0]=4 6556 B9R1.135 CSCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011218213 [0,1,0,1,0,0|2,0,0]=4 6557 B9R1.135 CSCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011218213 [0,1,0,1,0,0|2,0,0]=4 6558 B9R1.135 C[C@H]1[C@H](CN1CCF)O 2230a_206633788156_100011217306 [0,1,0,1,0,0|2,0,0]=4 6559 B9R1.135 C[C@H]1[C@H](CN1CCF)O 269982a_206633788156_100011217306 [0,1,0,1,0,0|2,0,0]=4 6560 B9R1.135 C[C@H]1[C@H](CN1CCO)O 2230a_206633788156_100000211926 [0,1,0,1,0,0|2,0,0]=4 6561 B9R1.135 C[C@H]1[C@H](CN1CCO)O 269982a_206633788156_100000211926 [0,1,0,1,0,0|2,0,0]=4 6562 B9R1.202 CN1CCC[C@@]1(C)CO 2230a_100016195882_200000210301 [0,1,0,1,0,0|1,0,0]=3 6563 B9R1.202 CN1CCC[C@@]1(C)CO 269982a_100016195882_200000210301 [0,1,0,1,0,0|1,0,0]=3 6564 B9R1.202 CN1CCC[C@@]1(C)CO 34a_100016195882_200000210301 [0,1,0,1,0,0|1,0,0]=3 6565 B9R1.202 C[C@]1(CCCN1[13CH3])CO 2230a_100016195882_200025704644 [0,1,0,1,0,0|1,0,0]=3 6566 B9R1.202 C[C@]1(CCCN1[13CH3])CO 269982a_100016195882_200025704644 [0,1,0,1,0,0|1,0,0]=3 6567 B9R1.202 C[C@]1(CCCN1[13CH3])CO 34a_100016195882_200025704644 [0,1,0,1,0,0|1,0,0]=3 6568 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,1,0,1,0,0|1,0,0]=3 6569 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,1,0,1,0,0|1,0,0]=3 6570 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [0,1,0,1,0,0|1,1,0]=4 6571 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [0,1,0,1,0,0|2,0,0]=4 6572 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [0,1,0,1,0,0|2,0,0]=4 6573 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [0,1,0,1,0,0|2,0,0]=4 6574 B9R1.1 CCN1CCC(CC1)F 2230a_100015193889_100000210202 [0,1,0,1,0,0|2,0,0]=4 6575 B9R1.1 CCN1CCC(CC1)F 269982a_100015193889_100000204670 [0,1,0,1,0,0|2,0,0]=4 6576 B9R1.1 CCN1CCC(CC1)F 34a_100015193889_100000210202 [0,1,0,1,0,0|2,0,0]=4 6577 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [0,1,0,1,0,0|1,0,0]=3 6578 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [0,1,0,1,0,0|1,0,0]=3 6579 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [0,1,0,1,0,0|2,0,0]=4 6580 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [0,1,0,1,0,0|2,0,0]=4 6581 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [0,1,0,1,0,0|2,0,0]=4 6582 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [0,1,0,1,0,0|2,0,0]=4 6583 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [0,1,0,1,0,0|2,0,0]=4 6584 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,1,0,1,0,0|1,0,0]=3 6585 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [0,1,0,1,0,0|2,0,0]=4 6586 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [0,1,0,1,0,0|2,0,0]=4 6587 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,1,0,1,0,0|1,0,0]=3 6588 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,1,0,1,0,0|1,0,0]=3 6589 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,1,0,1,0,0|1,0,0]=3 6590 B9R1.1 COC1CCN(CC1)C 2230a_100000234800_200000210301 [0,1,0,1,0,0|2,0,0]=4 6591 B9R1.1 COC1CCN(CC1)C 269982a_100000234800_200000210301 [0,1,0,1,0,0|2,0,0]=4 6592 B9R1.1 COC1CCN(CC1)C 34a_100000234800_200000210301 [0,1,0,1,0,0|2,0,0]=4 6593 B9R1.1 COC1CCN(CC1)[13CH3] 2230a_100000234800_200025704644 [0,1,0,1,0,0|2,0,0]=4 6594 B9R1.1 COC1CCN(CC1)[13CH3] 269982a_100000234800_200025704644 [0,1,0,1,0,0|2,0,0]=4 6595 B9R1.1 COC1CCN(CC1)[13CH3] 34a_100000234800_200025704644 [0,1,0,1,0,0|2,0,0]=4 6596 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [0,1,0,1,0,0|2,0,0]=4 6597 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [0,1,0,1,0,0|1,1,0]=4 6598 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [0,1,0,1,0,0|2,0,0]=4 6599 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [0,1,0,1,0,0|2,0,0]=4 6600 B9R1.1 OC1CCN(CC1)CF 269982a_100025773856_100015361967 [0,1,0,1,0,0|2,0,0]=4 6601 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [0,1,0,1,0,0|2,0,0]=4 6602 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [0,1,0,1,0,0|2,0,0]=4 6603 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [0,1,0,1,0,0|2,0,0]=4 6604 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [0,1,0,1,0,0|2,0,0]=4 6605 B9R1.16 CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210211 [0,1,0,1,0,0|2,0,0]=4 6606 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210211 [0,1,0,1,0,0|2,0,0]=4 6607 B9R1.16 CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210210 [0,1,0,1,0,0|2,0,0]=4 6608 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,1,0,1,0,0|2,0,0]=4 6609 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,1,0,1,0,0|2,0,0]=4 6610 B9R1.17 BrCCCOC1COC1 34a_100011217188_100009818527 [0,1,0,1,0,0|2,0,0]=4 6611 B9R1.17 BrCCOCC1CCO1 34a_100000211926_100000103362 [0,1,0,1,0,0|2,0,0]=4 6612 B9R1.17 BrCCOCC1COC1 34a_100000211926_100010264016 [0,1,0,1,0,0|2,0,0]=4 6613 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [0,1,0,1,0,0|2,0,0]=4 6614 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [0,1,0,1,0,0|2,0,0]=4 6615 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [0,1,0,1,0,0|2,0,0]=4 6616 B9R1.17 CCCCNC1COC1 2230a_100016991112_100000210211 [0,1,0,1,0,0|1,0,0]=3 6617 B9R1.17 CCCCNC1COC1 7a_106832991798_100009818527 [0,1,0,1,0,0|1,0,0]=3 6618 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [0,1,0,1,0,0|2,0,0]=4 6619 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [0,1,0,1,0,0|2,0,0]=4 6620 B9R1.17 CCCCOC1COC1 34a_100000210227_100009818527 [0,1,0,1,0,0|1,0,0]=3 6621 B9R1.17 CCCCOC1COC1 7a_100000210227_100009818527 [0,1,0,1,0,0|1,0,0]=3 6622 B9R1.17 CCCCOC1CSC1 7a_100000072292_100000210211 [0,1,0,1,0,0|1,1,0]=4 6623 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [0,1,0,1,0,0|2,0,0]=4 6624 B9R1.17 CCCCSC1COC1 62a_100000210211_100009818527 [0,1,0,1,0,0|1,0,0]=3 6625 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [0,1,0,1,0,0|2,0,0]=4 6626 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [0,1,0,1,0,0|2,0,0]=4 6627 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [0,1,0,1,0,0|2,0,0]=4 6628 B9R1.17 CCCNCC1COC1 2230a_100015281925_100000210303 [0,1,0,1,0,0|1,0,0]=3 6629 B9R1.17 CCCNCC1COC1 34a_100015281925_100000210303 [0,1,0,1,0,0|1,0,0]=3 6630 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,1,0,1,0,0|1,0,0]=3 6631 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,1,0,1,0,0|1,0,0]=3 6632 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [0,1,0,1,0,0|2,0,0]=4 6633 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [0,1,0,1,0,0|2,0,0]=4 6634 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,1,0,1,0,0|1,0,0]=3 6635 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,1,0,1,0,0|1,0,0]=3 6636 B9R1.17 CCCOCC1CNC1 34a_100016987283_100000210303 [0,1,0,1,0,0|2,0,0]=4 6637 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [0,1,0,1,0,0|1,0,0]=3 6638 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [0,1,0,1,0,0|1,0,0]=3 6639 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [0,1,0,1,0,0|2,0,0]=4 6640 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [0,1,0,1,0,0|2,0,0]=4 6641 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,1,0,1,0,0|1,0,0]=3 6642 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,1,0,1,0,0|1,0,0]=3 6643 B9R1.17 CCCSCC1COC1 62a_100000210303_100010264016 [0,1,0,1,0,0|1,0,0]=3 6644 B9R1.17 CCCSCC1COC1 62a_100010264016_100000210303 [0,1,0,1,0,0|1,0,0]=3 6645 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [0,1,0,1,0,0|1,0,0]=3 6646 B9R1.17 CCOCSC1COC1 62a_100000739092_100009818527 [0,1,0,1,0,0|2,0,0]=4 6647 B9R1.17 COCCNC1COC1 2230a_100016991112_100011201679 [0,1,0,1,0,0|2,0,0]=4 6648 B9R1.17 COCCOC1COC1 34a_100000210237_100009818527 [0,1,0,1,0,0|2,0,0]=4 6649 B9R1.17 COCCSC1COC1 62a_100000233755_100009818527 [0,1,0,1,0,0|2,0,0]=4 6650 B9R1.17 COCNCC1COC1 2230a_100015281925_100000766300 [0,1,0,1,0,0|2,0,0]=4 6651 B9R1.17 COCNC[C@@H]1CCO1 2230a_100020831831_100000766300 [0,1,0,1,0,0|2,0,0]=4 6652 B9R1.17 COCSCC1CCO1 62a_100000103362_100000766300 [0,1,0,1,0,0|2,0,0]=4 6653 B9R1.17 COCSCC1CCO1 62a_100000766300_100000103362 [0,1,0,1,0,0|2,0,0]=4 6654 B9R1.17 COCSCC1COC1 62a_100000766300_100010264016 [0,1,0,1,0,0|2,0,0]=4 6655 B9R1.17 COCSCC1COC1 62a_100010264016_100000766300 [0,1,0,1,0,0|2,0,0]=4 6656 B9R1.17 CSCCNC1COC1 2230a_100016991112_100000751147 [0,1,0,1,0,0|2,0,0]=4 6657 B9R1.17 CSCCOC1COC1 34a_100000230434_100009818527 [0,1,0,1,0,0|2,0,0]=4 6658 B9R1.17 CSCCOC1COC1 7a_100000230434_100009818527 [0,1,0,1,0,0|2,0,0]=4 6659 B9R1.17 CSCCSC1COC1 62a_100000212216_100009818527 [0,1,0,1,0,0|2,0,0]=4 6660 B9R1.17 CSCNCC1COC1 2230a_100015281925_100011218213 [0,1,0,1,0,0|2,0,0]=4 6661 B9R1.17 CSCNCC1COC1 34a_100015281925_100011218213 [0,1,0,1,0,0|2,0,0]=4 6662 B9R1.17 CSCNC[C@@H]1CCO1 2230a_100020831831_100011218213 [0,1,0,1,0,0|2,0,0]=4 6663 B9R1.17 CSCNC[C@@H]1CCO1 34a_100020831831_100011218213 [0,1,0,1,0,0|2,0,0]=4 6664 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [0,1,0,1,0,0|2,0,0]=4 6665 B9R1.17 CSCOCC1COC1 34a_100000060846_100011218213 [0,1,0,1,0,0|2,0,0]=4 6666 B9R1.17 CSCSCC1CCO1 62a_100000103362_100011218213 [0,1,0,1,0,0|2,0,0]=4 6667 B9R1.17 CSCSCC1CCO1 62a_100011218213_100000103362 [0,1,0,1,0,0|2,0,0]=4 6668 B9R1.17 CSCSCC1COC1 62a_100010264016_100011218213 [0,1,0,1,0,0|2,0,0]=4 6669 B9R1.17 CSCSCC1COC1 62a_100011218213_100010264016 [0,1,0,1,0,0|2,0,0]=4 6670 B9R1.17 ClCCCOC1COC1 34a_100000230001_100009818527 [0,1,0,1,0,0|2,0,0]=4 6671 B9R1.17 FCCCNC1COC1 2230a_100016991112_100011934791 [0,1,0,1,0,0|2,0,0]=4 6672 B9R1.17 FCCCNC1COC1 34a_100015189416_100009818527 [0,1,0,1,0,0|2,0,0]=4 6673 B9R1.17 FCCCOC1COC1 34a_100000759539_100009818527 [0,1,0,1,0,0|2,0,0]=4 6674 B9R1.17 FCCCSC1COC1 62a_100011934791_100009818527 [0,1,0,1,0,0|2,0,0]=4 6675 B9R1.17 FCCNCC1CCO1 34a_100000724931_100000103362 [0,1,0,1,0,0|2,0,0]=4 6676 B9R1.17 FCCNCC1COC1 2230a_100015281925_100011217306 [0,1,0,1,0,0|2,0,0]=4 6677 B9R1.17 FCCNCC1COC1 34a_100000724931_100010264016 [0,1,0,1,0,0|2,0,0]=4 6678 B9R1.17 FCCNCC1COC1 34a_100015281925_100011217306 [0,1,0,1,0,0|2,0,0]=4 6679 B9R1.17 FCCNC[C@@H]1CCO1 2230a_100020831831_100011217306 [0,1,0,1,0,0|2,0,0]=4 6680 B9R1.17 FCCNC[C@@H]1CCO1 34a_100020831831_100011217306 [0,1,0,1,0,0|2,0,0]=4 6681 B9R1.17 FCCOCC1CCO1 34a_100000039022_100011217306 [0,1,0,1,0,0|2,0,0]=4 6682 B9R1.17 FCCOCC1COC1 34a_100000060846_100011217306 [0,1,0,1,0,0|2,0,0]=4 6683 B9R1.17 FCCSCC1CCO1 62a_100000103362_100011217306 [0,1,0,1,0,0|2,0,0]=4 6684 B9R1.17 FCCSCC1CCO1 62a_100011217306_100000103362 [0,1,0,1,0,0|2,0,0]=4 6685 B9R1.17 FCCSCC1COC1 62a_100010264016_100011217306 [0,1,0,1,0,0|2,0,0]=4 6686 B9R1.17 FCCSCC1COC1 62a_100011217306_100010264016 [0,1,0,1,0,0|2,0,0]=4 6687 B9R1.17 FCOCCC1COC1 34a_100009855314_100015361967 [0,1,0,1,0,0|2,0,0]=4 6688 B9R1.17 NCCCOC1COC1 34a_100000182051_100009818527 [0,1,0,1,0,0|2,0,0]=4 6689 B9R1.17 NCCOCC1CCO1 34a_100000210304_100000103362 [0,1,0,1,0,0|2,0,0]=4 6690 B9R1.17 NCCOCC1COC1 34a_100000210304_100010264016 [0,1,0,1,0,0|2,0,0]=4 6691 B9R1.17 OCCCNC1COC1 2230a_100016991112_100000230001 [0,1,0,1,0,0|2,0,0]=4 6692 B9R1.17 OCCCSC1COC1 62a_100011215043_100009818527 [0,1,0,1,0,0|2,0,0]=4 6693 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [0,1,0,1,0,0|2,0,0]=4 6694 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [0,1,0,1,0,0|2,0,0]=4 6695 B9R1.17 OCCNCC1COC1 2230a_100015281925_100000211926 [0,1,0,1,0,0|2,0,0]=4 6696 B9R1.17 OCCNCC1COC1 2230a_100016997473_100010264016 [0,1,0,1,0,0|2,0,0]=4 6697 B9R1.17 OCCNCC1COC1 34a_100015281925_100000211926 [0,1,0,1,0,0|2,0,0]=4 6698 B9R1.17 OCCNCC1COC1 34a_100016990907_100010264016 [0,1,0,1,0,0|2,0,0]=4 6699 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [0,1,0,1,0,0|2,0,0]=4 6700 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [0,1,0,1,0,0|2,0,0]=4 6701 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [0,1,0,1,0,0|2,0,0]=4 6702 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [0,1,0,1,0,0|2,0,0]=4 6703 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [0,1,0,1,0,0|2,0,0]=4 6704 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [0,1,0,1,0,0|2,0,0]=4 6705 B9R1.17 OCCSCC1COC1 62a_100000211926_100010264016 [0,1,0,1,0,0|2,0,0]=4 6706 B9R1.17 OCCSCC1COC1 62a_100010264016_100000211926 [0,1,0,1,0,0|2,0,0]=4 6707 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [0,1,0,1,0,0|2,0,0]=4 6708 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [0,1,0,1,0,0|1,0,0]=3 6709 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [0,1,0,1,0,0|1,0,0]=3 6710 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [0,1,0,1,0,0|1,0,0]=3 6711 B9R1.21 CCN1CC[C@H](C1)OC 2230a_100000766984_100000210202 [0,1,0,1,0,0|2,0,0]=4 6712 B9R1.21 CCN1CC[C@H](C1)OC 269982a_100000766984_100000204670 [0,1,0,1,0,0|2,0,0]=4 6713 B9R1.21 CN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_200000210301 [0,1,0,1,0,0|2,0,0]=4 6714 B9R1.21 CN[C@H]1C=C[C@H](C1)CO 34a_100020646542_200000210301 [0,1,0,1,0,0|2,0,0]=4 6715 B9R1.21 OCC1CCN(C1)CF 269982a_100000748654_100015361967 [0,1,0,1,0,0|2,0,0]=4 6716 B9R1.21 OCC1CCN(C1)CF 34a_100000748654_100015361967 [0,1,0,1,0,0|2,0,0]=4 6717 B9R1.21 [13CH3]N[C@H]1C=C[C@H](C1)CO 2230a_100020646542_200025704644 [0,1,0,1,0,0|2,0,0]=4 6718 B9R1.21 [13CH3]N[C@H]1C=C[C@H](C1)CO 34a_100020646542_200025704644 [0,1,0,1,0,0|2,0,0]=4 6719 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,1,0,1,0,0|2,0,0]=4 6720 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,1,0,1,0,0|2,0,0]=4 6721 B9R1.78 CC(CO)N[C@@H]1C[C@@H]1F 2230a_100015190264_100012180447 [0,1,0,1,0,0|2,0,0]=4 6722 B9R1.78 CC(CO)N[C@@H]1C[C@H]1F 2230a_100025746932_100012180447 [0,1,0,1,0,0|2,0,0]=4 6723 B9R1.78 CC(CO)N[C@@H]1C[C@H]1F 34a_100025746932_100012180447 [0,1,0,1,0,0|2,0,0]=4 6724 B9R1.79 CC(CF)OC1CCC1 34a_100016041109_100000749161 [0,1,0,1,0,0|2,0,0]=4 6725 B9R1.79 CC(CN)OC1CCC1 34a_100000210904_100000749161 [0,1,0,1,0,0|2,0,0]=4 6726 B9R1.79 CC(CO)NC1CCC1 2230a_100000749019_100012180447 [0,1,0,1,0,0|1,0,0]=3 6727 B9R1.79 CC(CO)NC1CCC1 34a_100000749019_100012180447 [0,1,0,1,0,0|1,0,0]=3 6728 B9R1.79 CC(CO)NC1COC1 2230a_100016991112_100012180447 [0,1,0,1,0,0|2,0,0]=4 6729 B9R1.79 CC(CO)OC1CCC1 34a_100000748187_100012180447 [0,1,0,1,0,0|1,0,0]=3 6730 B9R1.79 CC(CO)OC1CSC1 7a_100000072292_100012180447 [0,1,0,1,0,0|2,0,0]=4 6731 B9R1.79 CC(CO)SC1CCC1 62a_100012180447_100000749161 [0,1,0,1,0,0|1,0,0]=3 6732 B9R1.79 CC(CO)SC1COC1 62a_100012180447_100009818527 [0,1,0,1,0,0|2,0,0]=4 6733 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,1,0,1,0,0|1,0,1]=4 6734 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,1,0,1,0,0|1,0,1]=4 6735 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,1,0,1,0,0|1,0,1]=4 6736 B9R1.79 CCC(C)CN1CCC1 269982a_100000754969_100000748023 [0,1,0,1,0,0|2,0,0]=4 6737 B9R1.79 CCC(C)NC1CCC1 2230a_100000749019_100000758301 [0,1,0,1,0,0|2,0,0]=4 6738 B9R1.79 CCC(C)NC1CCC1 270004a_100000209981_100000241760 [0,1,0,1,0,0|2,0,0]=4 6739 B9R1.79 CCC(C)NC1CCC1 34a_100000749019_100011215416 [0,1,0,1,0,0|2,0,0]=4 6740 B9R1.79 CCC(C)NC1COC1 2230a_100016991112_100000758301 [0,1,0,1,0,0|2,0,0]=4 6741 B9R1.79 CCC(C)OC1CCC1 34a_100000748187_100011215416 [0,1,0,1,0,0|2,0,0]=4 6742 B9R1.79 CCC(C)OC1COC1 7a_100000210228_100009818527 [0,1,0,1,0,0|2,0,0]=4 6743 B9R1.79 CCC(C)SC1CCC1 62a_100000758301_100000749161 [0,1,0,1,0,0|2,0,0]=4 6744 B9R1.79 CCC(C)SC1COC1 62a_100000758301_100009818527 [0,1,0,1,0,0|2,0,0]=4 6745 B9R1.79 CCC(O)CN1CCC1 269982a_100000754969_100011218378 [0,1,0,1,0,0|1,0,0]=3 6746 B9R1.79 CCN(C)CC1CCO1 2230a_100000225621_100000103362 [0,1,0,1,0,0|2,0,0]=4 6747 B9R1.79 CCN(C)CC1CCO1 269982a_100000225621_100000103362 [0,1,0,1,0,0|2,0,0]=4 6748 B9R1.79 CCN(C)CC1COC1 2230a_100000225621_100010264016 [0,1,0,1,0,0|2,0,0]=4 6749 B9R1.79 CCN(C)CC1COC1 269982a_100000225621_100010264016 [0,1,0,1,0,0|2,0,0]=4 6750 B9R1.79 CC[C@H](C)CN1CCC1 269982a_100000754969_100009816398 [0,1,0,1,0,0|2,0,0]=4 6751 B9R1.79 C[C@@H](CO)CN1CCC1 269982a_100000754969_100000059175 [0,1,0,1,0,0|1,0,0]=3 6752 B9R1.79 C[C@H](CF)NC1CCC1 270004a_100102880703_100000241760 [0,1,0,1,0,0|2,0,0]=4 6753 B9R1.79 C[C@H](CO)NC1CCC1 270004a_100000737577_100000241760 [0,1,0,1,0,0|1,0,0]=3 6754 B9R1.79 C[C@H](CO)SC1CCC1 62a_100016084084_100000749161 [0,1,0,1,0,0|1,0,0]=3 6755 B9R1.79 C[C@H](CO)SC1COC1 62a_100016084084_100009818527 [0,1,0,1,0,0|2,0,0]=4 6756 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,1,0,1,0,0|0,0,2]=4 6757 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,1,0,1,0,0|0,0,2]=4 6758 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,1,0,1,0,0|0,0,2]=4 6759 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,1,0,1,0,0|0,0,2]=4 6760 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,1,0,1,0,0|0,0,2]=4 6761 B9R1.80 C=CC(O)CNC1CC1 34a_100000212008_100000730141 [0,1,0,1,0,0|1,0,1]=4 6762 B9R1.80 C=CC(O)CSC1CC1 62a_100000730141_100000211595 [0,1,0,1,0,0|1,0,1]=4 6763 B9R1.80 CC(CF)OCC1CC1 34a_100016041109_100000742324 [0,1,0,1,0,0|2,0,0]=4 6764 B9R1.80 CC(CF)OCC1CC1 7a_100016041109_100000742324 [0,1,0,1,0,0|2,0,0]=4 6765 B9R1.80 CC(CN)COC1CC1 34a_100000744482_100000211595 [0,1,0,1,0,0|2,0,0]=4 6766 B9R1.80 CC(CN)OCC1CC1 34a_100000210904_100000742324 [0,1,0,1,0,0|2,0,0]=4 6767 B9R1.80 CC(CO)CNC1CC1 34a_100000744482_100000211595 [0,1,0,1,0,0|1,0,0]=3 6768 B9R1.80 CC(CO)NCC1CC1 2230a_100000735609_100012180447 [0,1,0,1,0,0|1,0,0]=3 6769 B9R1.80 CC(CO)NCC1CC1 34a_100000735609_100012180447 [0,1,0,1,0,0|1,0,0]=3 6770 B9R1.80 CC(CO)OCC1CC1 34a_100000211283_100012180447 [0,1,0,1,0,0|1,0,0]=3 6771 B9R1.80 CC(CO)OC[C@@H]1CO1 34a_100000757423_100012180447 [0,1,0,1,0,0|2,0,0]=4 6772 B9R1.80 CC(CO)SCC1CC1 62a_100012180447_100000742324 [0,1,0,1,0,0|1,0,0]=3 6773 B9R1.80 CC(CO)SCC1CO1 62a_100012180447_102125554688 [0,1,0,1,0,0|2,0,0]=4 6774 B9R1.80 CC(CO)SCC1CS1 62a_100012180447_100000031435 [0,1,0,1,0,0|2,0,0]=4 6775 B9R1.80 CC(CO)SC[C@@H]1CO1 62a_100012180447_100000745022 [0,1,0,1,0,0|2,0,0]=4 6776 B9R1.80 CCC(C)CNC1CC1 34a_100000212008_100000748023 [0,1,0,1,0,0|2,0,0]=4 6777 B9R1.80 CCC(C)CSC1CC1 62a_100000748023_100000211595 [0,1,0,1,0,0|2,0,0]=4 6778 B9R1.80 CCC(C)NCC1CC1 2230a_100000209981_100000742324 [0,1,0,1,0,0|2,0,0]=4 6779 B9R1.80 CCC(C)NCC1CC1 2230a_100000735609_100000758301 [0,1,0,1,0,0|2,0,0]=4 6780 B9R1.80 CCC(C)NCC1CC1 269862a_100000209981_100000741477 [0,1,0,1,0,0|2,0,0]=4 6781 B9R1.80 CCC(C)NCC1CC1 34a_100000735609_100011215416 [0,1,0,1,0,0|2,0,0]=4 6782 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [0,1,0,1,0,0|2,0,0]=4 6783 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [0,1,0,1,0,0|2,0,0]=4 6784 B9R1.80 CCC(C)SCC1CC1 62a_100000756562_100000758301 [0,1,0,1,0,0|2,0,0]=4 6785 B9R1.80 CCC(C)SCC1CC1 62a_100000758301_100000742324 [0,1,0,1,0,0|2,0,0]=4 6786 B9R1.80 CCC(O)CNC1CC1 34a_100000212008_100011218378 [0,1,0,1,0,0|1,0,0]=3 6787 B9R1.80 CCC(O)CSC1CC1 62a_100011218378_100000211595 [0,1,0,1,0,0|1,0,0]=3 6788 B9R1.80 CC[C@H](C)CNC1CC1 34a_100000212008_100009816398 [0,1,0,1,0,0|2,0,0]=4 6789 B9R1.80 CC[C@H](C)CSC1CC1 62a_100009816398_100000211595 [0,1,0,1,0,0|2,0,0]=4 6790 B9R1.80 C[C@@H](CO)CNC1CC1 34a_100000212008_100000059175 [0,1,0,1,0,0|1,0,0]=3 6791 B9R1.80 C[C@@H](CO)CSC1CC1 62a_100000059175_100000211595 [0,1,0,1,0,0|1,0,0]=3 6792 B9R1.80 C[C@H](CF)NCC1CC1 269862a_100102880703_100000741477 [0,1,0,1,0,0|2,0,0]=4 6793 B9R1.80 C[C@H](CO)NCC1CC1 2230a_100000737577_100000742324 [0,1,0,1,0,0|1,0,0]=3 6794 B9R1.80 C[C@H](CO)NCC1CC1 269862a_100000737577_100000741477 [0,1,0,1,0,0|1,0,0]=3 6795 B9R1.80 C[C@H](CO)NCC1CO1 2230a_100000737577_100011216344 [0,1,0,1,0,0|2,0,0]=4 6796 B9R1.80 C[C@H](CO)SCC1CC1 62a_100000756562_100016084084 [0,1,0,1,0,0|1,0,0]=3 6797 B9R1.80 C[C@H](CO)SCC1CC1 62a_100016084084_100000742324 [0,1,0,1,0,0|1,0,0]=3 6798 B9R1.80 C[C@H](CO)SCC1CO1 62a_100016084084_102125554688 [0,1,0,1,0,0|2,0,0]=4 6799 B9R1.80 C[C@H](CO)SCC1CO1 62a_102125554688_100016084084 [0,1,0,1,0,0|2,0,0]=4 6800 B9R1.80 C[C@H](CO)SCC1CS1 62a_100000031435_100016084084 [0,1,0,1,0,0|2,0,0]=4 6801 B9R1.80 C[C@H](CO)SCC1CS1 62a_100016084084_100000031435 [0,1,0,1,0,0|2,0,0]=4 6802 B9R1.80 C[C@H](CO)SC[C@@H]1CO1 62a_100000745022_100016084084 [0,1,0,1,0,0|2,0,0]=4 6803 B9R1.80 C[C@H](CO)SC[C@@H]1CO1 62a_100016084084_100000745022 [0,1,0,1,0,0|2,0,0]=4 6804 B9R1.80 ClCC(Cl)COC1CC1 34a_100000033668_100000211595 [0,1,0,1,0,0|2,0,0]=4 6805 B9R1.80 NC[C@@H](F)COC1CC1 34a_100015665980_100000211595 [0,1,0,1,0,0|2,0,0]=4 6806 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,1,0,1,0,0|0,0,2]=4 6807 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,1,0,1,0,0|0,0,2]=4 6808 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,1,0,1,0,0|0,0,2]=4 6809 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,1,0,1,0,0|0,0,2]=4 6810 B9R1.80 OCC(O)CNC1CC1 34a_100000212008_100011219619 [0,1,0,1,0,0|0,0,0]=2 6811 B9R1.80 OCC(O)CSC1CC1 62a_100011219619_100000211595 [0,1,0,1,0,0|0,0,0]=2 6812 B9R1.80 OC[C@H](F)CNC1CC1 34a_100015665980_100000211595 [0,1,0,1,0,0|1,0,0]=3 6813 B9R1.80 OC[C@H](O)CNC1CC1 34a_100000212008_100009815848 [0,1,0,1,0,0|0,0,0]=2 6814 B9R1.80 OC[C@H](O)CSC1CC1 62a_100009815848_100000211595 [0,1,0,1,0,0|0,0,0]=2 6815 B9R1.80 O[C@@H](CF)CNC1CC1 34a_100000212008_100015614560 [0,1,0,1,0,0|1,0,0]=3 6816 B9R1.80 O[C@@H](CF)CSC1CC1 62a_100015614560_100000211595 [0,1,0,1,0,0|1,0,0]=3 6817 B9R1.81 CC(CO)N1CCC1C 34a_100000755817_100012180447 [0,1,0,1,0,0|1,0,0]=3 6818 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|0,0,2]=4 6819 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|0,0,2]=4 6820 B9R1.81 CC1CCN1[C@H](C)CO 269982a_100000755817_100016084084 [0,1,0,1,0,0|1,0,0]=3 6821 B9R1.81 CCC(C)N1CCC1C 269982a_100000755817_100000758301 [0,1,0,1,0,0|2,0,0]=4 6822 B9R1.81 CCC(C)N1CCC1C 34a_100000755817_100011215416 [0,1,0,1,0,0|2,0,0]=4 6823 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,1,0,1,0,0|2,0,0]=4 6824 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,1,0,1,0,0|2,0,0]=4 6825 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,1,0,1,0,0|2,0,0]=4 6826 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,1,0,1,0,0|2,0,0]=4 6827 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,1,0,1,0,0|1,0,0]=3 6828 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,1,0,1,0,0|1,0,0]=3 6829 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,1,0,1,0,0|1,0,0]=3 6830 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,1,0,1,0,0|1,1,0]=4 6831 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,1,0,1,0,0|1,1,0]=4 6832 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,1,0,1,0,0|2,0,0]=4 6833 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,1,0,1,0,0|2,0,0]=4 6834 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,1,0,1,0,0|1,0,0]=3 6835 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,1,0,1,0,0|1,0,0]=3 6836 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,1,0,1,0,0|1,1,0]=4 6837 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,1,0,1,0,0|1,1,0]=4 6838 B9R1.99 CC1(CO1)CNCCF 34a_100000724931_100000760498 [0,1,0,1,0,0|2,0,0]=4 6839 B9R1.99 CC1(CO1)CNCCO 34a_100016990907_100000760498 [0,1,0,1,0,0|2,0,0]=4 6840 B9R1.99 CC1(CO1)COCCBr 34a_100000211926_100000760498 [0,1,0,1,0,0|2,0,0]=4 6841 B9R1.99 CC1(CO1)COCCN 34a_100000210304_100000760498 [0,1,0,1,0,0|2,0,0]=4 6842 B9R1.99 CC1(CO1)CSCCF 62a_100000760498_100011217306 [0,1,0,1,0,0|2,0,0]=4 6843 B9R1.99 CC1(CO1)CSCCF 62a_100011217306_100000760498 [0,1,0,1,0,0|2,0,0]=4 6844 B9R1.99 CC1(CO1)CSCCO 62a_100000211926_100000760498 [0,1,0,1,0,0|2,0,0]=4 6845 B9R1.99 CC1(CO1)CSCCO 62a_100000760498_100000211926 [0,1,0,1,0,0|2,0,0]=4 6846 B9R1.99 CCCCNC1(CC1)C 2230a_100000757604_100000210211 [0,1,0,1,0,0|2,0,0]=4 6847 B9R1.99 CCCCOC1(CC1)C 7a_100011725673_100000210211 [0,1,0,1,0,0|2,0,0]=4 6848 B9R1.99 CCCNCC1(CC1)C 2230a_100000766693_100000210303 [0,1,0,1,0,0|2,0,0]=4 6849 B9R1.99 CCCNCC1(CC1)O 2230a_100011936951_100000210303 [0,1,0,1,0,0|1,0,0]=3 6850 B9R1.99 CCCOCC1(CC1)C 7a_100000698024_100000210303 [0,1,0,1,0,0|2,0,0]=4 6851 B9R1.99 CCCOCC1(CC1)F 34a_200000703853_100000210303 [0,1,0,1,0,0|2,0,0]=4 6852 B9R1.99 CCCOCC1(CC1)F 7a_200000703853_100000210303 [0,1,0,1,0,0|2,0,0]=4 6853 B9R1.99 CCCOCC1(CO1)C 34a_100000210258_100000760498 [0,1,0,1,0,0|1,0,0]=3 6854 B9R1.99 CCCSCC1(CO1)C 62a_100000210303_100000760498 [0,1,0,1,0,0|1,0,0]=3 6855 B9R1.99 CCCSCC1(CO1)C 62a_100000760498_100000210303 [0,1,0,1,0,0|1,0,0]=3 6856 B9R1.99 COCNCC1(CC1)O 2230a_100011936951_100000766300 [0,1,0,1,0,0|2,0,0]=4 6857 B9R1.99 COCSCC1(CO1)C 62a_100000760498_100000766300 [0,1,0,1,0,0|2,0,0]=4 6858 B9R1.99 COCSCC1(CO1)C 62a_100000766300_100000760498 [0,1,0,1,0,0|2,0,0]=4 6859 B9R1.99 CSCNCC1(CC1)O 2230a_100011936951_100011218213 [0,1,0,1,0,0|2,0,0]=4 6860 B9R1.99 CSCSCC1(CO1)C 62a_100000760498_100011218213 [0,1,0,1,0,0|2,0,0]=4 6861 B9R1.99 CSCSCC1(CO1)C 62a_100011218213_100000760498 [0,1,0,1,0,0|2,0,0]=4 6862 B9R1.99 OC1(CC1)CNCCF 2230a_100011936951_100011217306 [0,1,0,1,0,0|2,0,0]=4 6863 B9R1.99 OCCNCC1(CC1)O 2230a_100011936951_100000211926 [0,1,0,1,0,0|2,0,0]=4 6864 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,1,0,1,0,0|0,0,2]=4 6865 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,1,0,1,0,0|0,0,2]=4 6866 B9R1.23 CCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000210202 [0,1,0,1,0,0|2,0,0]=4 6867 B9R1.23 CCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000204670 [0,1,0,1,0,0|2,0,0]=4 6868 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210202 [0,1,0,1,0,0|2,0,0]=4 6869 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000204670 [0,1,0,1,0,0|2,0,0]=4 6870 B9R1.23 CCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210202 [0,1,0,1,0,0|1,0,0]=3 6871 B9R1.23 CCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000204670 [0,1,0,1,0,0|1,0,0]=3 6872 B9R1.23 O[C@@H]1CN(C[C@@H]1O)CF 269982a_100015207562_100015361967 [0,1,0,1,0,0|2,0,0]=4 6873 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,1,0,0|1,0,1]=4 6874 B9R1.35 CC(C)N1CCC(C1)O 2230a_100011215560_100000210206 [0,1,0,1,0,0|2,0,0]=4 6875 B9R1.35 CC(C)N1CCC(C1)O 269982a_100011215560_100000210206 [0,1,0,1,0,0|2,0,0]=4 6876 B9R1.35 CN(C)C1CCC(C1)O 270004a_100102631434_100012614533 [0,1,0,1,0,0|2,0,0]=4 6877 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,1,0,0|1,0,1]=4 6878 B9R1.77 CCOCC1OC1(C)C 34a_200010283642_100000210202 [0,1,0,1,0,0|2,0,0]=4 6879 B9R1.77 CCOCC1OC1(C)C 7a_200010283642_100000210202 [0,1,0,1,0,0|2,0,0]=4 6880 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,1,0,1,0,0|1,0,1]=4 6881 B9R1.95 CC(C)N1CC(C1)CO 269982a_100016987283_100000210206 [0,1,0,1,0,0|2,0,0]=4 6882 B9R1.95 CC(C)N1CC(C1)CO 34a_100016987283_100000210206 [0,1,0,1,0,0|2,0,0]=4 6883 B9R1.95 CN(C)C1CC(C1)CO 269982a_100102631434_100009874164 [0,1,0,1,0,0|2,0,0]=4 6884 B9R1.95 CN(C)C1CC(C1)CO 270004a_100102631434_100000101936 [0,1,0,1,0,0|2,0,0]=4 6885 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,1,0,1,0,0|1,0,1]=4 6886 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,1,0,1,0,0|0,0,2]=4 6887 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,1,0,1,0,0|0,0,2]=4 6888 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [0,1,0,1,0,0|0,0,2]=4 6889 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,1,0,1,0,0|0,0,2]=4 6890 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,1,0,1,0,0|0,0,2]=4 6891 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [0,1,0,1,0,0|0,0,2]=4 6892 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,1,0,0|0,0,2]=4 6893 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,1,0,0|0,0,2]=4 6894 B9R1.10 CC1(CCN(CC1)[13CH3])O 2230a_100000690209_200025704644 [0,1,0,1,0,0|2,0,0]=4 6895 B9R1.10 CC1(CCN(CC1)[13CH3])O 269982a_100000690209_200025704644 [0,1,0,1,0,0|2,0,0]=4 6896 B9R1.10 CN1CCC(CC1)(C)O 2230a_100000690209_200000210301 [0,1,0,1,0,0|2,0,0]=4 6897 B9R1.10 CN1CCC(CC1)(C)O 269982a_100000690209_200000210301 [0,1,0,1,0,0|2,0,0]=4 6898 B9R1.10 CN1CCC(CC1)(O)O 269982a_100016987284_200000210301 [0,1,0,1,0,0|2,0,0]=4 6899 B9R1.10 [13CH3]N1CCC(CC1)(O)O 269982a_100016987284_200025704644 [0,1,0,1,0,0|2,0,0]=4 6900 B9R1.55 CC(C)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210206 [0,1,0,1,0,0|2,0,0]=4 6901 B9R1.55 CC(C)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210206 [0,1,0,1,0,0|2,0,0]=4 6902 B9R1.84 CC(Br)COC1COC1 34a_100012180447_100009818527 [0,1,0,1,0,0|2,0,0]=4 6903 B9R1.84 CC(C)CNC1COC1 2230a_100016991112_100000210760 [0,1,0,1,0,0|2,0,0]=4 6904 B9R1.84 CC(C)CNC1COC1 270004a_100016991112_100000210432 [0,1,0,1,0,0|2,0,0]=4 6905 B9R1.84 CC(C)CNC1COC1 34a_100000210953_100009818527 [0,1,0,1,0,0|2,0,0]=4 6906 B9R1.84 CC(C)COC1COC1 34a_100000210257_100009818527 [0,1,0,1,0,0|2,0,0]=4 6907 B9R1.84 CC(C)CSC1COC1 62a_100000210624_100009818527 [0,1,0,1,0,0|2,0,0]=4 6908 B9R1.84 CC(C)NCC1CCO1 2230a_100138425928_100000103362 [0,1,0,1,0,0|2,0,0]=4 6909 B9R1.84 CC(C)NCC1CCO1 34a_100138425928_100000103362 [0,1,0,1,0,0|2,0,0]=4 6910 B9R1.84 CC(C)NCC1COC1 2230a_100015281925_100000210206 [0,1,0,1,0,0|2,0,0]=4 6911 B9R1.84 CC(C)NCC1COC1 2230a_100138425928_100010264016 [0,1,0,1,0,0|2,0,0]=4 6912 B9R1.84 CC(C)NCC1COC1 34a_100015281925_100000210206 [0,1,0,1,0,0|2,0,0]=4 6913 B9R1.84 CC(C)NCC1COC1 34a_100138425928_100010264016 [0,1,0,1,0,0|2,0,0]=4 6914 B9R1.84 CC(C)NC[C@@H]1CCO1 2230a_100020831831_100000210206 [0,1,0,1,0,0|2,0,0]=4 6915 B9R1.84 CC(C)NC[C@@H]1CCO1 34a_100020831831_100000210206 [0,1,0,1,0,0|2,0,0]=4 6916 B9R1.84 CC(C)OCC1CCO1 34a_100000039022_100000210206 [0,1,0,1,0,0|2,0,0]=4 6917 B9R1.84 CC(C)OCC1CCO1 34a_100000212225_100000103362 [0,1,0,1,0,0|2,0,0]=4 6918 B9R1.84 CC(C)OCC1COC1 34a_100000060846_100000210206 [0,1,0,1,0,0|2,0,0]=4 6919 B9R1.84 CC(C)OCC1COC1 34a_100000212225_100010264016 [0,1,0,1,0,0|2,0,0]=4 6920 B9R1.84 CC(C)SCC1CCO1 62a_100000103362_100000210206 [0,1,0,1,0,0|2,0,0]=4 6921 B9R1.84 CC(C)SCC1CCO1 62a_100000210206_100000103362 [0,1,0,1,0,0|2,0,0]=4 6922 B9R1.84 CC(C)SCC1COC1 62a_100000210206_100010264016 [0,1,0,1,0,0|2,0,0]=4 6923 B9R1.84 CC(C)SCC1COC1 62a_100010264016_100000210206 [0,1,0,1,0,0|2,0,0]=4 6924 B9R1.84 CC(F)COC1COC1 34a_100015925927_100009818527 [0,1,0,1,0,0|2,0,0]=4 6925 B9R1.84 CC(O)CNC1COC1 2230a_100016991112_100011218427 [0,1,0,1,0,0|2,0,0]=4 6926 B9R1.84 CC(O)CNC1COC1 34a_100000210904_100009818527 [0,1,0,1,0,0|2,0,0]=4 6927 B9R1.84 CC(O)CSC1COC1 62a_100011218427_100009818527 [0,1,0,1,0,0|2,0,0]=4 6928 B9R1.84 C[C@@H](Cl)COC1COC1 34a_100016084084_100009818527 [0,1,0,1,0,0|2,0,0]=4 6929 B9R1.84 C[C@@H](N)COC1COC1 34a_100000737577_100009818527 [0,1,0,1,0,0|2,0,0]=4 6930 B9R1.84 C[C@@H](O)CNC1COC1 2230a_100016991112_100009817552 [0,1,0,1,0,0|2,0,0]=4 6931 B9R1.84 C[C@@H](O)CSC1COC1 62a_100009817552_100009818527 [0,1,0,1,0,0|2,0,0]=4 6932 B9R1.133 CCN1CCC(C1)(C)O 2230a_100000718628_100000210202 [0,1,0,1,0,0|2,0,0]=4 6933 B9R1.133 CCN1CCC(C1)(C)O 269982a_100000718628_100000204670 [0,1,0,1,0,0|2,0,0]=4 6934 B9R1.147 CC(C)NCC1(CC1)O 2230a_100011936951_100000210206 [0,1,0,1,0,0|2,0,0]=4 6935 B9R1.147 CC(C)NCC1(CO1)C 34a_100138425928_100000760498 [0,1,0,1,0,0|2,0,0]=4 6936 B9R1.147 CC(C)OCC1(CO1)C 34a_100000212225_100000760498 [0,1,0,1,0,0|2,0,0]=4 6937 B9R1.147 CC(C)SCC1(CO1)C 62a_100000210206_100000760498 [0,1,0,1,0,0|2,0,0]=4 6938 B9R1.147 CC(C)SCC1(CO1)C 62a_100000760498_100000210206 [0,1,0,1,0,0|2,0,0]=4 6939 B9R1.70 CN[C@H](CO)C1COC1 2230a_217856628679_200000210301 [0,1,0,1,0,0|2,0,0]=4 6940 B9R1.70 CN[C@H](CO)C1COC1 34a_217856628679_200000210301 [0,1,0,1,0,0|2,0,0]=4 6941 B9R1.70 [13CH3]N[C@H](CO)C1COC1 2230a_217856628679_200025704644 [0,1,0,1,0,0|2,0,0]=4 6942 B9R1.70 [13CH3]N[C@H](CO)C1COC1 34a_217856628679_200025704644 [0,1,0,1,0,0|2,0,0]=4 6943 B9R1.72 C=C[C@@H](CO)NC1CC1 34a_100016989147_100000211595 [0,1,0,1,0,0|2,0,0]=4 6944 B9R1.193 CCNCC1(CC1)CO 2230a_100000757901_100000210202 [0,1,0,1,0,0|2,0,0]=4 6945 B9R1.193 CCOCC1(CO1)CC 34a_100121572206_200000139556 [0,1,0,1,0,0|2,0,0]=4 6946 B9R1.193 CCSCC1(CO1)CC 62a_100000210202_200000139556 [0,1,0,1,0,0|2,0,0]=4 6947 B9R1.193 CCSCC1(CO1)CC 62a_200000139556_100000210202 [0,1,0,1,0,0|2,0,0]=4 6948 B9R1.204 C#CC1(CCCC1)OC 34a_100000189447_200000210301 [0,1,0,1,0,0|1,0,1]=4 6949 B9R1.204 C#CC1(CCCC1)OC 7a_100000189447_200000210301 [0,1,0,1,0,0|1,0,1]=4 6950 B9R1.204 C#CC1(CCCC1)O[13CH3] 34a_100000189447_200025704644 [0,1,0,1,0,0|1,0,1]=4 6951 B9R1.204 C#CC1(CCCC1)O[13CH3] 7a_100000189447_200025704644 [0,1,0,1,0,0|1,0,1]=4 6952 B9R1.204 CCC1(CCCC1)NC 2230a_100015183760_200000210301 [0,1,0,1,0,0|2,0,0]=4 6953 B9R1.204 CCC1(CCCC1)N[13CH3] 2230a_100015183760_200025704644 [0,1,0,1,0,0|2,0,0]=4 6954 B9R1.204 CCC1(CCCC1)OC 7a_100000752416_200000210301 [0,1,0,1,0,0|1,0,0]=3 6955 B9R1.204 CCC1(CCCC1)O[13CH3] 7a_100000752416_200025704644 [0,1,0,1,0,0|1,0,0]=3 6956 B9R1.204 CNC1(CCCC1)CO 2230a_100000749328_200000210301 [0,1,0,1,0,0|1,0,0]=3 6957 B9R1.204 CNC1(CCCC1)CO 34a_100000749328_200000210301 [0,1,0,1,0,0|1,0,0]=3 6958 B9R1.204 COC1(CCCC1)C#N 34a_100000744759_200000210301 [0,1,0,1,0,0|1,0,1]=4 6959 B9R1.204 COC1(CCCC1)C#N 7a_100000744759_200000210301 [0,1,0,1,0,0|1,0,1]=4 6960 B9R1.204 COC1(CCCC1)CN 34a_100000737848_200000210301 [0,1,0,1,0,0|1,0,0]=3 6961 B9R1.204 [13CH3]NC1(CCCC1)CO 2230a_100000749328_200025704644 [0,1,0,1,0,0|1,0,0]=3 6962 B9R1.204 [13CH3]NC1(CCCC1)CO 34a_100000749328_200025704644 [0,1,0,1,0,0|1,0,0]=3 6963 B9R1.204 [13CH3]OC1(CCCC1)C#N 34a_100000744759_200025704644 [0,1,0,1,0,0|1,0,1]=4 6964 B9R1.204 [13CH3]OC1(CCCC1)C#N 7a_100000744759_200025704644 [0,1,0,1,0,0|1,0,1]=4 6965 B9R1.204 [13CH3]OC1(CCCC1)CN 34a_100000737848_200025704644 [0,1,0,1,0,0|1,0,0]=3 6966 B9R1.113 CC(CO)NC1(CC1)C 2230a_100000757604_100012180447 [0,1,0,1,0,0|2,0,0]=4 6967 B9R1.113 CC(CO)OC1(CC1)C 7a_100011725673_100012180447 [0,1,0,1,0,0|2,0,0]=4 6968 B9R1.113 CCC(=O)CC1(CO1)C 1458a_100000210414_100000760498 [0,1,0,1,0,0|1,0,1]=4 6969 B9R1.113 CCN(C)CC1(CO1)C 269982a_100000225621_100000760498 [0,1,0,1,0,0|2,0,0]=4 6970 B9R1.207 CCN1CC(C1)(C)CO 2230a_100015203900_100000210202 [0,1,0,1,0,0|2,0,0]=4 6971 B9R1.207 CCN1CC(C1)(C)CO 269982a_100015203900_100000204670 [0,1,0,1,0,0|2,0,0]=4 6972 B9R1.207 CCN1CC(C1)(O)CC 2230a_100015191684_100000210202 [0,1,0,1,0,0|2,0,0]=4 6973 B9R1.207 CCN1CC(C1)(O)CC 269982a_100015191684_100000204670 [0,1,0,1,0,0|2,0,0]=4 6974 B9R1.64 OCC(F)(F)SC1CC1 62a_100011217949_100000211595 [0,1,0,1,0,0|2,0,0]=4 6975 B9R2.91 C1CN(C1)C2COC2 269982a_100000754969_100000687716 [0,0,0,2,0,0|2,0,0]=4 6976 B9R2.140 CN1CCC12COC2 2230a_100015204706_200000210301 [0,0,0,2,0,0|2,0,0]=4 6977 B9R2.140 CN1CCC12COC2 269982a_100015204706_200000210301 [0,0,0,2,0,0|2,0,0]=4 6978 B9R2.140 [13CH3]N1CCC12COC2 2230a_100015204706_200025704644 [0,0,0,2,0,0|2,0,0]=4 6979 B9R2.140 [13CH3]N1CCC12COC2 269982a_100015204706_200025704644 [0,0,0,2,0,0|2,0,0]=4 6980 B9R2.157 C1CC1NC2COC2 34a_100000212008_100009818527 [0,0,0,2,0,0|2,0,0]=4