0 B13R1.191 CCCCCCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210314 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.191 CCCCCCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210757 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.7 CCCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210314 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.7 CCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210757 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.7 CCCCCCN1CC[C@H](C1)C 34a_100016987628_100000210314 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.7 CCCCCNC1CCC(C1)C 270004a_100000209983_100011215218 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.7 CCCCCOC1CCC(C1)C 34a_100000698185_100000718602 [1,0,0,0,0,0|3,0,0]=4 7 B12R0.113 C#CC(C)OC(C)CCCCCC 34a_100000210265_200000035995 [0,0,1,0,0,0|1,0,2]=4 8 B12R0.113 C#C[C@@H](C)OC(C)CCCCCC 34a_100009815206_100011215978 [0,0,1,0,0,0|1,0,2]=4 9 B12R0.113 C#C[C@@H](C)OC(C)CCCCCC 7a_100009815206_100011215978 [0,0,1,0,0,0|1,0,2]=4 10 B12R0.113 C=CC(C)OC(C)CCCCCC 34a_100000695699_100011215978 [0,0,1,0,0,0|1,0,2]=4 11 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [0,0,1,0,0,0|1,0,2]=4 12 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [0,0,1,0,0,0|1,0,2]=4 13 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [0,0,1,0,0,0|1,0,2]=4 14 B12R0.113 CCCCCCC(=O)NC(C)CC 11a_100000209981_100102632555 [0,0,1,0,0,0|1,0,2]=4 15 B12R0.113 CCCCCCC(=O)NC(C)CC 1626a_100000209981_100102632555 [0,0,1,0,0,0|1,0,2]=4 16 B12R0.113 CCCCCCC(=O)NC(C)CC 240690a_100000209981_100102632555 [0,0,1,0,0,0|1,0,2]=4 17 B12R0.113 CCCCCCC(=O)NC(C)CC 527a_100000209981_100102632555 [0,0,1,0,0,0|1,0,2]=4 18 B12R0.113 CCCCCCC(C)NC(C)CC 2230a_100000209981_100011215978 [0,0,1,0,0,0|2,0,0]=3 19 B12R0.113 CCCCCCC(C)NC(C)CC 2230a_100000210919_100000758301 [0,0,1,0,0,0|2,0,0]=3 20 B12R0.113 CCCCCCC(C)NC(C)CC 270004a_100000209981_100000210826 [0,0,1,0,0,0|2,0,0]=3 21 B12R0.113 CCCCCCC(C)NC(C)CC 34a_100000210919_100011215416 [0,0,1,0,0,0|2,0,0]=3 22 B12R0.113 CCCCCCC(C)NC(C)CO 2230a_100000210919_100012180447 [0,0,1,0,0,0|3,0,0]=4 23 B12R0.113 CCCCCCC(C)NC(C)CO 34a_100000210919_100012180447 [0,0,1,0,0,0|3,0,0]=4 24 B12R0.113 CCCCCCC(C)N[C@H](C)CF 270004a_100102880703_100000210826 [0,0,1,0,0,0|3,0,0]=4 25 B12R0.113 CCCCCCC(C)N[C@H](C)CO 2230a_100000737577_100011215978 [0,0,1,0,0,0|3,0,0]=4 26 B12R0.113 CCCCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210826 [0,0,1,0,0,0|3,0,0]=4 27 B12R0.113 CCCCCCC(C)OC(C)C#N 34a_100011218135_100011215978 [0,0,1,0,0,0|2,0,1]=4 28 B12R0.113 CCCCCCC(C)OC(C)C#N 7a_100000210265_100000703298 [0,0,1,0,0,0|2,0,1]=4 29 B12R0.113 CCCCCCC(C)OC(C)CC 34a_100000210265_100011215416 [0,0,1,0,0,0|1,0,0]=2 30 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210228_100011215978 [0,0,1,0,0,0|1,0,0]=2 31 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210265_100000758301 [0,0,1,0,0,0|1,0,0]=2 32 B12R0.113 CCCCCCC(C)OC(C)CF 34a_100016041109_100011215978 [0,0,1,0,0,0|2,0,0]=3 33 B12R0.113 CCCCCCC(C)OC(C)CF 7a_100016041109_100011215978 [0,0,1,0,0,0|2,0,0]=3 34 B12R0.113 CCCCCCC(C)OC(C)CN 34a_100000210904_100011215978 [0,0,1,0,0,0|2,0,0]=3 35 B12R0.113 CCCCCCC(C)OC(C)CO 34a_100000210265_100012180447 [0,0,1,0,0,0|2,0,0]=3 36 B12R0.113 CCCCCCC(C)OC(C)CO 7a_100000210265_100012180447 [0,0,1,0,0,0|2,0,0]=3 37 B12R0.113 CCCCCCC(C)SC(C)CC 62a_100000758301_100011215978 [0,0,1,0,0,0|1,1,0]=3 38 B12R0.113 CCCCCCC(C)SC(C)CC 62a_100011215978_100000758301 [0,0,1,0,0,0|1,1,0]=3 39 B12R0.113 CCCCCCC(C)SC(C)CO 62a_100012180447_100011215978 [0,0,1,0,0,0|2,1,0]=4 40 B12R0.113 CCCCCCC(C)SC(C)OC 62a_100009879195_100011215978 [0,0,1,0,0,0|2,1,0]=4 41 B12R0.113 CCCCCCC(C)SC(C)OC 62a_100011215978_100009879195 [0,0,1,0,0,0|2,1,0]=4 42 B12R0.113 CCCCCCC(C)S[C@H](C)CO 62a_100011215978_100016084084 [0,0,1,0,0,0|2,1,0]=4 43 B12R0.113 CCCCCCC(C)S[C@H](C)CO 62a_100016084084_100011215978 [0,0,1,0,0,0|2,1,0]=4 44 B12R0.113 CCCCCCN(C)CC(C)CC 2230a_100000753921_100000210314 [0,0,1,0,0,0|3,0,0]=4 45 B12R0.113 CCCCCCN(C)CC(C)CC 2230a_106256046315_100000748023 [0,0,1,0,0,0|3,0,0]=4 46 B12R0.113 CCCCCCN(C)CC(C)CC 269982a_100000753921_100000210757 [0,0,1,0,0,0|3,0,0]=4 47 B12R0.113 CCCCCCN(C)CC(C)CC 269982a_106256046315_100000748023 [0,0,1,0,0,0|3,0,0]=4 48 B12R0.113 CCCCCCN(C)CC(C)CC 270004a_106256046315_100000243153 [0,0,1,0,0,0|3,0,0]=4 49 B12R0.113 CCCCCCN(C)C[C@@H](C)CC 2230a_106256046315_100009816398 [0,0,1,0,0,0|3,0,0]=4 50 B12R0.113 CCCCCCN(C)C[C@@H](C)CC 269982a_106256046315_100009816398 [0,0,1,0,0,0|3,0,0]=4 51 B12R0.113 CCCCCNC(C)CC(C)CC 2230a_100000763565_100000210326 [0,0,1,0,0,0|3,0,0]=4 52 B12R0.113 CCCCCNC(C)CC(C)CC 270004a_100000209983_100011710205 [0,0,1,0,0,0|3,0,0]=4 53 B12R0.113 CCCCOCC(C)OC(C)CC 34a_100011217071_100011215416 [0,0,1,0,0,0|2,0,0]=3 54 B12R0.113 CCCCOCC(C)OC(C)CC 7a_100011217071_100000758301 [0,0,1,0,0,0|2,0,0]=3 55 B12R0.113 CCCCOCC(C)OC(C)CO 34a_100011217071_100012180447 [0,0,1,0,0,0|3,0,0]=4 56 B12R0.113 CCCCOCC(C)OC(C)CO 7a_100011217071_100012180447 [0,0,1,0,0,0|3,0,0]=4 57 B12R0.205 C#CCCNCC(OCC)OCC 34a_100000211098_100000688953 [0,0,1,0,0,0|1,0,2]=4 58 B12R0.205 C#CCCNCC(OCC)OCC 34a_100000755551_100000210512 [0,0,1,0,0,0|1,0,2]=4 59 B12R0.205 C#CCCOCC(OCC)OCC 34a_100011215631_100000210512 [0,0,1,0,0,0|1,0,2]=4 60 B12R0.205 C#CCCOCC(OCC)OCC 34a_100011216334_100000688953 [0,0,1,0,0,0|1,0,2]=4 61 B12R0.205 C#CCCOCC(OCC)OCC 7a_100011216334_100000688953 [0,0,1,0,0,0|1,0,2]=4 62 B12R0.205 C#CCCSCC(OCC)OCC 62a_100000210512_100000688953 [0,0,1,0,0,0|1,0,2]=4 63 B12R0.205 C#CCCSCC(OCC)OCC 62a_100000688953_100000210512 [0,0,1,0,0,0|1,0,2]=4 64 B12R0.205 C#CCNCCC(OCC)OCC 34a_100000212058_100000033671 [0,0,1,0,0,0|1,0,2]=4 65 B12R0.205 C#CCNCCC(OCC)OCC 34a_100000748396_100000184674 [0,0,1,0,0,0|1,0,2]=4 66 B12R0.205 C#CCOCCC(OCC)OCC 34a_100000210247_100000033671 [0,0,1,0,0,0|1,0,2]=4 67 B12R0.205 C#CCOCCC(OCC)OCC 34a_100011218310_100000184674 [0,0,1,0,0,0|1,0,2]=4 68 B12R0.205 C#CCOCCC(OCC)OCC 7a_100011218310_100000038162 [0,0,1,0,0,0|1,0,2]=4 69 B12R0.205 C#CCSCCC(OCC)OCC 62a_100000038162_100000033671 [0,0,1,0,0,0|1,0,2]=4 70 B12R0.205 C/C=C/CNCC(OCC)OCC 34a_100000211098_100102629194 [0,0,1,0,0,0|1,0,2]=4 71 B12R0.205 C/C=C/COCC(OCC)OCC 34a_100011216334_100102629194 [0,0,1,0,0,0|1,0,2]=4 72 B12R0.205 C/C=C/COCC(OCC)OCC 34a_100016270725_100000210512 [0,0,1,0,0,0|1,0,2]=4 73 B12R0.205 C/C=C/COCC(OCC)OCC 7a_100011216334_100102629194 [0,0,1,0,0,0|1,0,2]=4 74 B12R0.205 C/C=C/CSCC(OCC)OCC 62a_100000210512_100102629194 [0,0,1,0,0,0|1,0,2]=4 75 B12R0.205 C/C=C/CSCC(OCC)OCC 62a_100102629194_100000210512 [0,0,1,0,0,0|1,0,2]=4 76 B12R0.205 C=CCCNCC(OCC)OCC 2230a_100015191253_100000210512 [0,0,1,0,0,0|1,0,2]=4 77 B12R0.205 C=CCCNCC(OCC)OCC 34a_100000211098_100000754431 [0,0,1,0,0,0|1,0,2]=4 78 B12R0.205 C=CCCOCC(OCC)OCC 34a_100011205117_100000210512 [0,0,1,0,0,0|1,0,2]=4 79 B12R0.205 C=CCCOCC(OCC)OCC 34a_100011216334_100000754431 [0,0,1,0,0,0|1,0,2]=4 80 B12R0.205 C=CCCOCC(OCC)OCC 7a_100011216334_100000754431 [0,0,1,0,0,0|1,0,2]=4 81 B12R0.205 C=CCCSCC(OCC)OCC 62a_100000210512_100000754431 [0,0,1,0,0,0|1,0,2]=4 82 B12R0.205 C=CCCSCC(OCC)OCC 62a_100000754431_100000210512 [0,0,1,0,0,0|1,0,2]=4 83 B12R0.205 C=CCNCCC(OCC)OCC 2230a_100020586998_100000033671 [0,0,1,0,0,0|1,0,2]=4 84 B12R0.205 C=CCNCCC(OCC)OCC 34a_100000748396_100015514636 [0,0,1,0,0,0|1,0,2]=4 85 B12R0.205 C=CCOCCC(OCC)OCC 34a_100011218310_100015514636 [0,0,1,0,0,0|1,0,2]=4 86 B12R0.205 C=CCOCCC(OCC)OCC 34a_200000210373_100000033671 [0,0,1,0,0,0|1,0,2]=4 87 B12R0.205 C=CCOCCC(OCC)OCC 7a_100011218310_100015514636 [0,0,1,0,0,0|1,0,2]=4 88 B12R0.205 C=CCSCCC(OCC)OCC 62a_100000033671_100000210623 [0,0,1,0,0,0|1,0,2]=4 89 B12R0.205 C=CCSCCC(OCC)OCC 62a_100000210623_100000033671 [0,0,1,0,0,0|1,0,2]=4 90 B12R0.205 CC#CCNCC(OCC)OCC 2230a_100000685387_100000210512 [0,0,1,0,0,0|1,0,2]=4 91 B12R0.205 CC#CCNCC(OCC)OCC 34a_100000211098_100000748600 [0,0,1,0,0,0|1,0,2]=4 92 B12R0.205 CC#CCNCC(OCC)OCC 34a_100000685387_100000210512 [0,0,1,0,0,0|1,0,2]=4 93 B12R0.205 CC#CCOCC(OCC)OCC 34a_100000761923_100000210512 [0,0,1,0,0,0|1,0,2]=4 94 B12R0.205 CC#CCOCC(OCC)OCC 34a_100011216334_100000748600 [0,0,1,0,0,0|1,0,2]=4 95 B12R0.205 CC#CCOCC(OCC)OCC 7a_100011216334_100000748600 [0,0,1,0,0,0|1,0,2]=4 96 B12R0.205 CC#CCSCC(OCC)OCC 62a_100000210512_100000748600 [0,0,1,0,0,0|1,0,2]=4 97 B12R0.205 CC#CCSCC(OCC)OCC 62a_100000748600_100000210512 [0,0,1,0,0,0|1,0,2]=4 98 B12R0.205 CC=CCNCC(OCC)OCC 34a_100000211098_100000070051 [0,0,1,0,0,0|1,0,2]=4 99 B12R0.205 CC=CCOCC(OCC)OCC 34a_100011216334_100000070051 [0,0,1,0,0,0|1,0,2]=4 100 B12R0.205 CC=CCOCC(OCC)OCC 7a_100011216334_100000070051 [0,0,1,0,0,0|1,0,2]=4 101 B12R0.205 CC=CCSCC(OCC)OCC 62a_100000070051_100000210512 [0,0,1,0,0,0|1,0,2]=4 102 B12R0.205 CC=CCSCC(OCC)OCC 62a_100000210512_100000070051 [0,0,1,0,0,0|1,0,2]=4 103 B12R0.205 CCCCCCC(CCC)NCC 270004a_100015525214_200011215359 [0,0,1,0,0,0|2,0,0]=3 104 B12R0.205 CCCCCCC(CCC)OCC 34a_200011215193_100000210202 [0,0,1,0,0,0|1,0,0]=2 105 B12R0.205 CCCCCCC(CCC)OCC 7a_200011215193_100000210202 [0,0,1,0,0,0|1,0,0]=2 106 B12R0.205 CCCCCCC(CCC)OCF 34a_200011215193_100015361967 [0,0,1,0,0,0|2,0,0]=3 107 B12R0.205 CCCCCCC(CCC)OCF 7a_200011215193_100015361967 [0,0,1,0,0,0|2,0,0]=3 108 B12R0.205 CCCCCCN(CCC)CCC 2230a_100000210455_100000210314 [0,0,1,0,0,0|3,0,0]=4 109 B12R0.205 CCCCCCN(CCC)CCC 269982a_100000210455_100000210757 [0,0,1,0,0,0|3,0,0]=4 110 B12R0.205 CCCCCNC(CCC)CCC 2230a_100011207992_100000210326 [0,0,1,0,0,0|3,0,0]=4 111 B12R0.205 CCCCCNC(CCC)CCC 270004a_100000209983_100000210088 [0,0,1,0,0,0|3,0,0]=4 112 B12R0.205 CCCCCNC(CCC)CCC 34a_100011207992_100000718602 [0,0,1,0,0,0|3,0,0]=4 113 B12R0.205 CCCCCOC(CCC)CCC 34a_100000210253_200011218217 [0,0,1,0,0,0|3,0,0]=4 114 B12R0.205 CCCCCOC(CCC)CCC 34a_200011218534_100000718602 [0,0,1,0,0,0|3,0,0]=4 115 B12R0.205 CCCCCOC(CCC)CCC 7a_100000210253_200011218217 [0,0,1,0,0,0|3,0,0]=4 116 B12R0.205 CCCCCOC(CCC)CCC 7a_200011218534_100000210326 [0,0,1,0,0,0|3,0,0]=4 117 B12R0.205 CCCCCSC(CCC)CCC 62a_100000210326_200011218217 [0,0,1,0,0,0|3,0,0]=4 118 B12R0.205 CCCCCSC(CCC)CCC 62a_200011218217_100000210326 [0,0,1,0,0,0|3,0,0]=4 119 B12R0.205 CCCCNCC(OCC)OCC 2230a_100000102301_100000210512 [0,0,1,0,0,0|1,0,0]=2 120 B12R0.205 CCCCNCC(OCC)OCC 34a_100000211098_100000210210 [0,0,1,0,0,0|1,0,0]=2 121 B12R0.205 CCCCNCC(OCC)OCC 7a_106832991798_100000210512 [0,0,1,0,0,0|1,0,0]=2 122 B12R0.205 CCCCOCC(CCC)CCC 34a_200011215456_100000210210 [0,0,1,0,0,0|3,0,0]=4 123 B12R0.205 CCCCOCC(CCC)CCC 7a_200011215456_100000210211 [0,0,1,0,0,0|3,0,0]=4 124 B12R0.205 CCCCOCC(OCC)OCC 34a_100000210227_100000210512 [0,0,1,0,0,0|1,0,0]=2 125 B12R0.205 CCCCOCC(OCC)OCC 34a_100011216334_100000210210 [0,0,1,0,0,0|1,0,0]=2 126 B12R0.205 CCCCOCC(OCC)OCC 7a_100000210227_100000210512 [0,0,1,0,0,0|1,0,0]=2 127 B12R0.205 CCCCOCC(OCC)OCC 7a_100011216334_100000210211 [0,0,1,0,0,0|1,0,0]=2 128 B12R0.205 CCCCSCC(OCC)OCC 62a_100000210211_100000210512 [0,0,1,0,0,0|1,0,0]=2 129 B12R0.205 CCCCSCC(OCC)OCC 62a_100000210512_100000210210 [0,0,1,0,0,0|1,0,0]=2 130 B12R0.205 CCCNCCC(OCC)OCC 34a_100000748396_100000210303 [0,0,1,0,0,0|1,0,0]=2 131 B12R0.205 CCCOCCC(OCC)OCC 34a_100000210258_100000033671 [0,0,1,0,0,0|1,0,0]=2 132 B12R0.205 CCCOCCC(OCC)OCC 34a_100011218310_100000210303 [0,0,1,0,0,0|1,0,0]=2 133 B12R0.205 CCCOCCC(OCC)OCC 7a_100011218310_100000210303 [0,0,1,0,0,0|1,0,0]=2 134 B12R0.205 CCCSCCC(OCC)OCC 62a_100000033671_100000210303 [0,0,1,0,0,0|1,0,0]=2 135 B12R0.205 CCCSCCC(OCC)OCC 62a_100000210303_100000033671 [0,0,1,0,0,0|1,0,0]=2 136 B12R0.205 CCNCCCC(OCC)OCC 2230a_100015525214_100000034166 [0,0,1,0,0,0|1,0,0]=2 137 B12R0.205 CCNCCCC(OCC)OCC 34a_100000211155_100000210202 [0,0,1,0,0,0|1,0,0]=2 138 B12R0.205 CCOC(CCCNCF)OCC 34a_100000211155_100015361967 [0,0,1,0,0,0|2,0,0]=3 139 B12R0.205 CCOC(CCCSCC)OCC 62a_100000034166_100000210202 [0,0,1,0,0,0|1,0,0]=2 140 B12R0.205 CCOC(CCCSCC)OCC 62a_100000210202_100000034166 [0,0,1,0,0,0|1,0,0]=2 141 B12R0.205 CCOC(CCCSCF)OCC 62a_100000034166_100015361967 [0,0,1,0,0,0|2,0,0]=3 142 B12R0.205 CCOC(CCCSCF)OCC 62a_100015361967_100000034166 [0,0,1,0,0,0|2,0,0]=3 143 B12R0.205 CCOC(CCNCC=O)OCC 34a_100000748396_200009817547 [0,0,1,0,0,0|2,0,1]=4 144 B12R0.205 CCOC(CCNCCF)OCC 34a_100000724931_100000033671 [0,0,1,0,0,0|2,0,0]=3 145 B12R0.205 CCOC(CCNCCF)OCC 34a_100000748396_100011217306 [0,0,1,0,0,0|2,0,0]=3 146 B12R0.205 CCOC(CCNCCO)OCC 2230a_100016997473_100000033671 [0,0,1,0,0,0|2,0,0]=3 147 B12R0.205 CCOC(CCNCCO)OCC 34a_100000748396_100000211926 [0,0,1,0,0,0|2,0,0]=3 148 B12R0.205 CCOC(CCNCCO)OCC 34a_100016990907_100000033671 [0,0,1,0,0,0|2,0,0]=3 149 B12R0.205 CCOC(CCNCSC)OCC 34a_100000748396_100011218213 [0,0,1,0,0,0|2,0,0]=3 150 B12R0.205 CCOC(CCOCC#N)OCC 7a_100011218310_100011215382 [0,0,1,0,0,0|2,0,1]=4 151 B12R0.205 CCOC(CCOCC=O)OCC 34a_100011218310_200009817547 [0,0,1,0,0,0|2,0,1]=4 152 B12R0.205 CCOC(CCOCC=O)OCC 7a_100011218310_200015260668 [0,0,1,0,0,0|2,0,1]=4 153 B12R0.205 CCOC(CCOCCBr)OCC 34a_100000211926_100000033671 [0,0,1,0,0,0|2,0,0]=3 154 B12R0.205 CCOC(CCOCCF)OCC 34a_100011218310_100011217306 [0,0,1,0,0,0|2,0,0]=3 155 B12R0.205 CCOC(CCOCCF)OCC 7a_100011218310_100011217306 [0,0,1,0,0,0|2,0,0]=3 156 B12R0.205 CCOC(CCOCCN)OCC 34a_100000210304_100000033671 [0,0,1,0,0,0|2,0,0]=3 157 B12R0.205 CCOC(CCOCCO)OCC 34a_100011218310_100000211926 [0,0,1,0,0,0|2,0,0]=3 158 B12R0.205 CCOC(CCOCCO)OCC 7a_100011218310_100000211926 [0,0,1,0,0,0|2,0,0]=3 159 B12R0.205 CCOC(CCOCSC)OCC 34a_100011218310_100011218213 [0,0,1,0,0,0|2,0,0]=3 160 B12R0.205 CCOC(CCSCC#N)OCC 62a_100000033671_100011215382 [0,0,1,0,0,0|2,0,1]=4 161 B12R0.205 CCOC(CCSCC#N)OCC 62a_100011215382_100000033671 [0,0,1,0,0,0|2,0,1]=4 162 B12R0.205 CCOC(CCSCC=O)OCC 62a_100000033671_200015260668 [0,0,1,0,0,0|2,0,1]=4 163 B12R0.205 CCOC(CCSCC=O)OCC 62a_200015260668_100000033671 [0,0,1,0,0,0|2,0,1]=4 164 B12R0.205 CCOC(CCSCCF)OCC 62a_100000033671_100011217306 [0,0,1,0,0,0|2,0,0]=3 165 B12R0.205 CCOC(CCSCCF)OCC 62a_100011217306_100000033671 [0,0,1,0,0,0|2,0,0]=3 166 B12R0.205 CCOC(CCSCCO)OCC 62a_100000033671_100000211926 [0,0,1,0,0,0|2,0,0]=3 167 B12R0.205 CCOC(CCSCCO)OCC 62a_100000211926_100000033671 [0,0,1,0,0,0|2,0,0]=3 168 B12R0.205 CCOC(CCSCOC)OCC 62a_100000033671_100000766300 [0,0,1,0,0,0|2,0,0]=3 169 B12R0.205 CCOC(CCSCOC)OCC 62a_100000766300_100000033671 [0,0,1,0,0,0|2,0,0]=3 170 B12R0.205 CCOC(CCSCSC)OCC 62a_100000033671_100011218213 [0,0,1,0,0,0|2,0,0]=3 171 B12R0.205 CCOC(CCSCSC)OCC 62a_100011218213_100000033671 [0,0,1,0,0,0|2,0,0]=3 172 B12R0.205 CCOC(CNCCCF)OCC 2230a_100015189416_100000210512 [0,0,1,0,0,0|2,0,0]=3 173 B12R0.205 CCOC(CNCCCF)OCC 34a_100000211098_100011934791 [0,0,1,0,0,0|2,0,0]=3 174 B12R0.205 CCOC(CNCCCF)OCC 34a_100015189416_100000210512 [0,0,1,0,0,0|2,0,0]=3 175 B12R0.205 CCOC(CNCCCO)OCC 34a_100000211098_100000230001 [0,0,1,0,0,0|2,0,0]=3 176 B12R0.205 CCOC(CNCCOC)OCC 2230a_100000209980_100000210512 [0,0,1,0,0,0|2,0,0]=3 177 B12R0.205 CCOC(CNCCOC)OCC 34a_100000211098_100011201679 [0,0,1,0,0,0|2,0,0]=3 178 B12R0.205 CCOC(CNCCSC)OCC 2230a_100020590264_100000210512 [0,0,1,0,0,0|2,0,0]=3 179 B12R0.205 CCOC(CNCCSC)OCC 34a_100000211098_100000212216 [0,0,1,0,0,0|2,0,0]=3 180 B12R0.205 CCOC(COCCC#N)OCC 7a_100011216334_100000184422 [0,0,1,0,0,0|2,0,1]=4 181 B12R0.205 CCOC(COCCCBr)OCC 34a_100011217188_100000210512 [0,0,1,0,0,0|2,0,0]=3 182 B12R0.205 CCOC(COCCCCl)OCC 34a_100000230001_100000210512 [0,0,1,0,0,0|2,0,0]=3 183 B12R0.205 CCOC(COCCCF)OCC 34a_100000759539_100000210512 [0,0,1,0,0,0|2,0,0]=3 184 B12R0.205 CCOC(COCCCF)OCC 34a_100011216334_100011934791 [0,0,1,0,0,0|2,0,0]=3 185 B12R0.205 CCOC(COCCCF)OCC 7a_100011216334_100011934791 [0,0,1,0,0,0|2,0,0]=3 186 B12R0.205 CCOC(COCCCN)OCC 34a_100000182051_100000210512 [0,0,1,0,0,0|2,0,0]=3 187 B12R0.205 CCOC(COCCCO)OCC 34a_100011216334_100000230001 [0,0,1,0,0,0|2,0,0]=3 188 B12R0.205 CCOC(COCCCO)OCC 7a_100011216334_100011215043 [0,0,1,0,0,0|2,0,0]=3 189 B12R0.205 CCOC(COCCOC)OCC 34a_100000210237_100000210512 [0,0,1,0,0,0|2,0,0]=3 190 B12R0.205 CCOC(COCCOC)OCC 34a_100011216334_100011201679 [0,0,1,0,0,0|2,0,0]=3 191 B12R0.205 CCOC(COCCOC)OCC 7a_100011216334_100000233755 [0,0,1,0,0,0|2,0,0]=3 192 B12R0.205 CCOC(COCCON)OCC 34a_100000700252_100000210512 [0,0,1,0,0,0|3,0,0]=4 193 B12R0.205 CCOC(COCCSC)OCC 34a_100000230434_100000210512 [0,0,1,0,0,0|2,0,0]=3 194 B12R0.205 CCOC(COCCSC)OCC 34a_100011216334_100000212216 [0,0,1,0,0,0|2,0,0]=3 195 B12R0.205 CCOC(COCCSC)OCC 7a_100000230434_100000210512 [0,0,1,0,0,0|2,0,0]=3 196 B12R0.205 CCOC(COCCSC)OCC 7a_100011216334_100000212216 [0,0,1,0,0,0|2,0,0]=3 197 B12R0.205 CCOC(CSCCC#N)OCC 62a_100000210512_100011215226 [0,0,1,0,0,0|2,0,1]=4 198 B12R0.205 CCOC(CSCCC#N)OCC 62a_100011215226_100000210512 [0,0,1,0,0,0|2,0,1]=4 199 B12R0.205 CCOC(CSCCCF)OCC 62a_100000210512_100011934791 [0,0,1,0,0,0|2,0,0]=3 200 B12R0.205 CCOC(CSCCCF)OCC 62a_100011934791_100000210512 [0,0,1,0,0,0|2,0,0]=3 201 B12R0.205 CCOC(CSCCCO)OCC 62a_100000210512_100011215043 [0,0,1,0,0,0|2,0,0]=3 202 B12R0.205 CCOC(CSCCCO)OCC 62a_100011215043_100000210512 [0,0,1,0,0,0|2,0,0]=3 203 B12R0.205 CCOC(CSCCOC)OCC 62a_100000210512_100000233755 [0,0,1,0,0,0|2,0,0]=3 204 B12R0.205 CCOC(CSCCOC)OCC 62a_100000233755_100000210512 [0,0,1,0,0,0|2,0,0]=3 205 B12R0.205 CCOC(CSCCSC)OCC 62a_100000210512_100000751147 [0,0,1,0,0,0|2,0,0]=3 206 B12R0.205 CCOC(CSCCSC)OCC 62a_100000212216_100000210512 [0,0,1,0,0,0|2,0,0]=3 207 B12R0.205 CCOCCCC(OCC)OCC 34a_100121572206_100000034166 [0,0,1,0,0,0|1,0,0]=2 208 B12R0.205 CCOCSCC(OCC)OCC 62a_100000210512_100000739092 [0,0,1,0,0,0|2,0,0]=3 209 B12R0.205 CCOCSCC(OCC)OCC 62a_100000739092_100000210512 [0,0,1,0,0,0|2,0,0]=3 210 B12R0.251 C#CCCCCCOC(C)C(C)C 7a_100000748068_100012094781 [0,0,1,0,0,0|1,0,2]=4 211 B12R0.251 C=C(C)C(C)NCCCCCCC 269862a_100000229938_100011216138 [0,0,1,0,0,0|2,0,1]=4 212 B12R0.251 C=CCCCCCOC(C)C(C)C 7a_100000748068_100000700193 [0,0,1,0,0,0|1,0,2]=4 213 B12R0.251 CC(=O)C(C)OCCCCCCBr 7a_100011215345_100000179758 [0,0,1,0,0,0|1,0,2]=4 214 B12R0.251 CC(=O)C(C)OCCCCCCCl 7a_100000766143_100000179758 [0,0,1,0,0,0|1,0,2]=4 215 B12R0.251 CC(=O)C(C)OCCCCCCF 34a_100000212229_100015922095 [0,0,1,0,0,0|1,0,2]=4 216 B12R0.251 CC(=O)C(C)OCCCCCCF 7a_100000732779_100000179758 [0,0,1,0,0,0|1,0,2]=4 217 B12R0.251 CC(=O)C(C)OCCCCCCO 34a_100000212229_100000766143 [0,0,1,0,0,0|1,0,2]=4 218 B12R0.251 CC(C)C(C)NCCCCCCF 2230a_100000211541_100015922095 [0,0,1,0,0,0|3,0,0]=4 219 B12R0.251 CC(C)C(C)NCCCCCCO 2230a_100000211541_100000766143 [0,0,1,0,0,0|3,0,0]=4 220 B12R0.251 CC(C)C(C)OCCCCCC#N 7a_100000748068_100009813376 [0,0,1,0,0,0|2,0,1]=4 221 B12R0.251 CC(C)C(C)OCCCCCC=O 7a_100000748068_100000139337 [0,0,1,0,0,0|2,0,1]=4 222 B12R0.251 CC(C)C(C)OCCCCCCF 7a_100000748068_100015922095 [0,0,1,0,0,0|2,0,0]=3 223 B12R0.251 CC(C)C(C)OCCCCCCO 7a_100000748068_100000766143 [0,0,1,0,0,0|2,0,0]=3 224 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,0,1,0,0,0|2,0,1]=4 225 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,0,1,0,0,0|2,0,1]=4 226 B12R0.251 CCCCCCCCC(C)N(C)C 270004a_100102631434_100011216694 [0,0,1,0,0,0|3,0,0]=4 227 B12R0.251 CCCCCCCCN(C)C(C)C 2230a_100000207567_100000210206 [0,0,1,0,0,0|3,0,0]=4 228 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_100000207567_100000210206 [0,0,1,0,0,0|3,0,0]=4 229 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_200000211004_100000210759 [0,0,1,0,0,0|3,0,0]=4 230 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,0,1,0,0,0|2,0,1]=4 231 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,0,1,0,0,0|2,0,1]=4 232 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,0,1,0,0,0|2,0,1]=4 233 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,0,1,0,0,0|1,0,2]=4 234 B12R0.251 CCCCCCCNC(C)C(C)C 2230a_100000211541_100000210681 [0,0,1,0,0,0|2,0,0]=3 235 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,0,1,0,0,0|2,0,1]=4 236 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,0,1,0,0,0|0,0,2]=3 237 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,0,1,0,0,0|0,0,2]=3 238 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [0,0,1,0,0,0|1,0,2]=4 239 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [0,0,1,0,0,0|1,0,2]=4 240 B12R0.251 CCCCCCCOC(C)C(C)C 7a_100000748068_100000210614 [0,0,1,0,0,0|1,0,0]=2 241 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [0,0,1,0,0,0|1,0,2]=4 242 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [0,0,1,0,0,0|1,0,2]=4 243 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [0,0,1,0,0,0|1,0,2]=4 244 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,0,1,0,0,0|0,1,2]=4 245 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,0,1,0,0,0|0,1,2]=4 246 B12R0.251 CCCCOCCNC(C)C(C)C 2230a_100000211541_100000743108 [0,0,1,0,0,0|3,0,0]=4 247 B12R0.251 CCCCOCCOC(C)C(=O)C 34a_100000212229_100000743108 [0,0,1,0,0,0|1,0,2]=4 248 B12R0.251 CCCCOCCOC(C)C(=O)C 7a_100000210238_100000179758 [0,0,1,0,0,0|1,0,2]=4 249 B12R0.251 CCCCOCCOC(C)C(C)C 7a_100000748068_100000743108 [0,0,1,0,0,0|2,0,0]=3 250 B12R0.251 CCCCSCCOC(C)C(=O)C 7a_200000230436_100000179758 [0,0,1,0,0,0|1,0,2]=4 251 B12R0.251 COCCOCCOC(C)C(C)C 7a_100000748068_100000695917 [0,0,1,0,0,0|3,0,0]=4 252 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210314 [0,0,0,0,1,0|3,0,0]=4 253 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210757 [0,0,0,0,1,0|3,0,0]=4 254 B14R1.232 CCCCCNC1CCC(C(C1)C)C 270004a_100000209983_100000759390 [0,0,0,0,0,1|3,0,0]=4 255 B14R1.232 CCCCCOC1CCC(C(C1)C)C 34a_100011215933_100000718602 [0,0,0,0,0,1|3,0,0]=4 256 B14R1.232 CCCCCOC1CCC(C(C1)C)C 7a_100011215933_100000210326 [0,0,0,0,0,1|3,0,0]=4 257 B14R1.443 CCCCCCN1CC(CC(C1)C)C 2230a_100000210448_100000210314 [0,0,0,0,0,1|3,0,0]=4 258 B14R1.443 CCCCCCN1CC(CC(C1)C)C 269982a_100000210448_100000210757 [0,0,0,0,0,1|3,0,0]=4 259 B14R1.443 CCCCCCN1CC(CC(C1)C)C 34a_100000210448_100000210314 [0,0,0,0,0,1|3,0,0]=4 260 B14R1.443 CCCCCCN1CC(OC(C1)C)C 2230a_100000210032_100000210314 [0,0,0,0,0,1|3,0,0]=4 261 B14R1.443 CCCCCCN1CC(OC(C1)C)C 269982a_100000210032_100000210757 [0,0,0,0,0,1|3,0,0]=4 262 B14R1.443 CCCCCCN1CC(OC(C1)C)C 34a_100000210032_100000210314 [0,0,0,0,0,1|3,0,0]=4 263 B14R1.443 CCCCCNC1CC(CC(C1)C)C 270004a_100000209983_100000753413 [0,0,0,0,0,1|3,0,0]=4 264 B14R1.443 CCCCCNC1CC(OC(C1)C)C 270004a_100000209983_200102525066 [0,0,0,0,0,1|3,0,0]=4 265 B14R1.443 CCCCCOC1CC(OC(C1)C)C 34a_200000691454_100000718602 [0,0,0,0,0,1|3,0,0]=4 266 B14R1.443 CCCCCOC1CC(OC(C1)C)C 7a_200000691454_100000210326 [0,0,0,0,0,1|3,0,0]=4 267 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100000210919_100000210206 [1,0,1,0,0,0|2,0,0]=4 268 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100138425928_100011215978 [1,0,1,0,0,0|2,0,0]=4 269 B11R0.2 CCCCCCC(C)NC(C)C 34a_100000210919_100000210206 [1,0,1,0,0,0|2,0,0]=4 270 B11R0.2 CCCCCCC(C)NC(C)C 34a_100138425928_100011215978 [1,0,1,0,0,0|2,0,0]=4 271 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [1,0,1,0,0,0|1,0,0]=3 272 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [1,0,1,0,0,0|1,0,0]=3 273 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [1,0,1,0,0,0|1,0,0]=3 274 B11R0.2 CCCCCCC(C)SC(C)C 62a_100000210206_100011215978 [1,0,1,0,0,0|1,1,0]=4 275 B11R0.2 CCCCCCC(C)SC(C)C 62a_100011215978_100000210206 [1,0,1,0,0,0|1,1,0]=4 276 B11R0.2 CCCCOCC(C)OC(C)C 34a_100011217071_100000210206 [1,0,1,0,0,0|2,0,0]=4 277 B11R0.2 CCCCOCC(C)OC(C)C 7a_100011217071_100000210206 [1,0,1,0,0,0|2,0,0]=4 278 B11R0.40 C#CC(C)OCCCCCCC 34a_100000210272_200000035995 [1,0,1,0,0,0|0,0,2]=4 279 B11R0.40 C#CCCCCCOC(C)CC 34a_100000766912_100011215416 [1,0,1,0,0,0|0,0,2]=4 280 B11R0.40 C#CCCCCCOC(C)CC 7a_100000210228_100012094781 [1,0,1,0,0,0|0,0,2]=4 281 B11R0.40 C#CCCCCCOC(C)CC 7a_100000766912_100000758301 [1,0,1,0,0,0|0,0,2]=4 282 B11R0.40 C#CCCCCCOC(C)CO 34a_100000766912_100012180447 [1,0,1,0,0,0|0,0,2]=4 283 B11R0.40 C#CCCCCCOC(C)CO 7a_100000766912_100012180447 [1,0,1,0,0,0|0,0,2]=4 284 B11R0.40 C#C[C@@H](C)OCCCCCCC 34a_100009815206_100000210614 [1,0,1,0,0,0|0,0,2]=4 285 B11R0.40 C#C[C@@H](C)OCCCCCCC 7a_100009815206_100000210614 [1,0,1,0,0,0|0,0,2]=4 286 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [1,0,1,0,0,0|0,0,2]=4 287 B11R0.40 C=CCCCCCOC(C)CC 34a_100011216702_100011215416 [1,0,1,0,0,0|0,0,2]=4 288 B11R0.40 C=CCCCCCOC(C)CC 7a_100000210228_100000700193 [1,0,1,0,0,0|0,0,2]=4 289 B11R0.40 C=CCCCCCOC(C)CC 7a_100011216702_100000758301 [1,0,1,0,0,0|0,0,2]=4 290 B11R0.40 C=CCCCCCOC(C)CO 34a_100011216702_100012180447 [1,0,1,0,0,0|0,0,2]=4 291 B11R0.40 C=CCCCCCOC(C)CO 7a_100011216702_100012180447 [1,0,1,0,0,0|0,0,2]=4 292 B11R0.40 CC(CF)OCCCCCCF 34a_100016041109_100015922095 [1,0,1,0,0,0|2,0,0]=4 293 B11R0.40 CC(CF)OCCCCCCF 7a_100016041109_100015922095 [1,0,1,0,0,0|2,0,0]=4 294 B11R0.40 CC(CF)OCCCCCCO 34a_100016041109_100000766143 [1,0,1,0,0,0|2,0,0]=4 295 B11R0.40 CC(CF)OCCCCCCO 7a_100016041109_100000766143 [1,0,1,0,0,0|2,0,0]=4 296 B11R0.40 CC(CN)OCCCCCCF 34a_100000210904_100015922095 [1,0,1,0,0,0|2,0,0]=4 297 B11R0.40 CC(CN)OCCCCCCO 34a_100000210904_100000766143 [1,0,1,0,0,0|2,0,0]=4 298 B11R0.40 CC(CO)NCCCCCCO 2230a_100000686447_100012180447 [1,0,1,0,0,0|2,0,0]=4 299 B11R0.40 CC(CO)NCCCCCCO 34a_100000686447_100012180447 [1,0,1,0,0,0|2,0,0]=4 300 B11R0.40 CC(CO)OCCCCCCBr 34a_100011215345_100012180447 [1,0,1,0,0,0|1,0,0]=3 301 B11R0.40 CC(CO)OCCCCCCBr 7a_100011215345_100012180447 [1,0,1,0,0,0|1,0,0]=3 302 B11R0.40 CC(CO)OCCCCCCCl 34a_100000766143_100012180447 [1,0,1,0,0,0|1,0,0]=3 303 B11R0.40 CC(CO)OCCCCCCCl 7a_100000766143_100012180447 [1,0,1,0,0,0|1,0,0]=3 304 B11R0.40 CC(CO)OCCCCCCF 34a_100000732779_100012180447 [1,0,1,0,0,0|1,0,0]=3 305 B11R0.40 CC(CO)OCCCCCCF 7a_100000732779_100012180447 [1,0,1,0,0,0|1,0,0]=3 306 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [1,0,1,0,0,0|1,0,0]=3 307 B11R0.40 CC(CO)SCCCCCCF 62a_100012180447_100015922095 [1,0,1,0,0,0|1,1,0]=4 308 B11R0.40 CC(CO)SCCCCCCO 62a_100012180447_100000766143 [1,0,1,0,0,0|1,1,0]=4 309 B11R0.40 CC/C=C/CCCOC(C)CC 34a_100016287902_100011215416 [1,0,1,0,0,0|0,0,2]=4 310 B11R0.40 CC/C=C/CCCOC(C)CC 7a_100016287902_100000758301 [1,0,1,0,0,0|0,0,2]=4 311 B11R0.40 CC/C=C/CCCOC(C)CO 34a_100016287902_100012180447 [1,0,1,0,0,0|0,0,2]=4 312 B11R0.40 CC/C=C/CCCOC(C)CO 7a_100016287902_100012180447 [1,0,1,0,0,0|0,0,2]=4 313 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [1,0,1,0,0,0|2,0,0]=4 314 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [1,0,1,0,0,0|2,0,0]=4 315 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [1,0,1,0,0,0|2,0,0]=4 316 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [1,0,1,0,0,0|2,0,0]=4 317 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [1,0,1,0,0,0|2,0,0]=4 318 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [1,0,1,0,0,0|2,0,0]=4 319 B11R0.40 CCC(C)OCCCCCC#N 7a_100000210228_100009813376 [1,0,1,0,0,0|1,0,1]=4 320 B11R0.40 CCC(C)OCCCCCC=O 7a_100000210228_100000139337 [1,0,1,0,0,0|1,0,1]=4 321 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [1,0,1,0,0,0|1,0,0]=3 322 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [1,0,1,0,0,0|1,0,0]=3 323 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [1,0,1,0,0,0|1,0,0]=3 324 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [1,0,1,0,0,0|1,0,0]=3 325 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [1,0,1,0,0,0|1,0,0]=3 326 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [1,0,1,0,0,0|1,0,0]=3 327 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [1,0,1,0,0,0|1,0,0]=3 328 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [1,0,1,0,0,0|1,0,0]=3 329 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [1,0,1,0,0,0|1,0,0]=3 330 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [1,0,1,0,0,0|1,0,0]=3 331 B11R0.40 CCC(C)OCCOCCNC 34a_100000228057_100011215416 [1,0,1,0,0,0|2,0,0]=4 332 B11R0.40 CCC(C)OCCOCCOC 34a_100011215163_100011215416 [1,0,1,0,0,0|2,0,0]=4 333 B11R0.40 CCC(C)OCCOCCOC 7a_100000210228_100000695917 [1,0,1,0,0,0|2,0,0]=4 334 B11R0.40 CCC(C)OCCOCCOC 7a_100011215163_100000758301 [1,0,1,0,0,0|2,0,0]=4 335 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [1,0,1,0,0,0|1,1,0]=4 336 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [1,0,1,0,0,0|1,1,0]=4 337 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [1,0,1,0,0,0|1,1,0]=4 338 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [1,0,1,0,0,0|1,1,0]=4 339 B11R0.40 CCCC#CCCOC(C)CC 34a_100000042726_100011215416 [1,0,1,0,0,0|0,0,2]=4 340 B11R0.40 CCCC#CCCOC(C)CC 7a_100000042726_100000758301 [1,0,1,0,0,0|0,0,2]=4 341 B11R0.40 CCCC#CCCOC(C)CO 34a_100000042726_100012180447 [1,0,1,0,0,0|0,0,2]=4 342 B11R0.40 CCCC#CCCOC(C)CO 7a_100000042726_100012180447 [1,0,1,0,0,0|0,0,2]=4 343 B11R0.40 CCCC/C=C/COC(C)CC 34a_200016272032_100011215416 [1,0,1,0,0,0|0,0,2]=4 344 B11R0.40 CCCC/C=C/COC(C)CC 7a_200016272032_100000758301 [1,0,1,0,0,0|0,0,2]=4 345 B11R0.40 CCCC/C=C/COC(C)CO 34a_200016272032_100012180447 [1,0,1,0,0,0|0,0,2]=4 346 B11R0.40 CCCC/C=C/COC(C)CO 7a_200016272032_100012180447 [1,0,1,0,0,0|0,0,2]=4 347 B11R0.40 CCCCC#CCOC(C)CC 34a_200000034558_100011215416 [1,0,1,0,0,0|0,0,2]=4 348 B11R0.40 CCCCC#CCOC(C)CC 7a_200000034558_100000758301 [1,0,1,0,0,0|0,0,2]=4 349 B11R0.40 CCCCC#CCOC(C)CO 34a_200000034558_100012180447 [1,0,1,0,0,0|0,0,2]=4 350 B11R0.40 CCCCC#CCOC(C)CO 7a_200000034558_100012180447 [1,0,1,0,0,0|0,0,2]=4 351 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [1,0,1,0,0,0|2,0,0]=4 352 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [1,0,1,0,0,0|2,0,0]=4 353 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [1,0,1,0,0,0|2,0,0]=4 354 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [1,0,1,0,0,0|2,0,0]=4 355 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [1,0,1,0,0,0|2,0,0]=4 356 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [1,0,1,0,0,0|2,0,0]=4 357 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [1,0,1,0,0,0|2,0,0]=4 358 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [1,0,1,0,0,0|2,0,0]=4 359 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [1,0,1,0,0,0|2,0,0]=4 360 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [1,0,1,0,0,0|1,0,0]=3 361 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [1,0,1,0,0,0|1,0,0]=3 362 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [1,0,1,0,0,0|1,0,0]=3 363 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [1,0,1,0,0,0|1,0,0]=3 364 B11R0.40 CCCCCCCOC(C)C#N 34a_100011218135_100000210614 [1,0,1,0,0,0|1,0,1]=4 365 B11R0.40 CCCCCCCOC(C)C#N 7a_100000210272_100000703298 [1,0,1,0,0,0|1,0,1]=4 366 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [1,0,1,0,0,0|0,0,0]=2 367 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [1,0,1,0,0,0|0,0,0]=2 368 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [1,0,1,0,0,0|0,0,0]=2 369 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [1,0,1,0,0,0|1,0,0]=3 370 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [1,0,1,0,0,0|1,0,0]=3 371 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [1,0,1,0,0,0|1,0,0]=3 372 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [1,0,1,0,0,0|0,0,0]=2 373 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [1,0,1,0,0,0|0,0,0]=2 374 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [1,0,1,0,0,0|0,1,0]=3 375 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [1,0,1,0,0,0|0,1,0]=3 376 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [1,0,1,0,0,0|0,1,0]=3 377 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [1,0,1,0,0,0|1,1,0]=4 378 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [1,0,1,0,0,0|1,1,0]=4 379 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [1,0,1,0,0,0|0,1,0]=3 380 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [1,0,1,0,0,0|0,1,0]=3 381 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [1,0,1,0,0,0|2,0,0]=4 382 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [1,0,1,0,0,0|2,0,0]=4 383 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [1,0,1,0,0,0|2,0,0]=4 384 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [1,0,1,0,0,0|2,0,0]=4 385 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [1,0,1,0,0,0|2,0,0]=4 386 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [1,0,1,0,0,0|2,0,0]=4 387 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [1,0,1,0,0,0|2,0,0]=4 388 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [1,0,1,0,0,0|2,0,0]=4 389 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [1,0,1,0,0,0|2,0,0]=4 390 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [1,0,1,0,0,0|2,0,0]=4 391 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [1,0,1,0,0,0|2,0,0]=4 392 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [1,0,1,0,0,0|2,0,0]=4 393 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [1,0,1,0,0,0|2,0,0]=4 394 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [1,0,1,0,0,0|2,0,0]=4 395 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [1,0,1,0,0,0|2,0,0]=4 396 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [1,0,1,0,0,0|2,0,0]=4 397 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [1,0,1,0,0,0|2,0,0]=4 398 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [1,0,1,0,0,0|2,0,0]=4 399 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [1,0,1,0,0,0|2,0,0]=4 400 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [1,0,1,0,0,0|2,0,0]=4 401 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [1,0,1,0,0,0|2,0,0]=4 402 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [1,0,1,0,0,0|2,0,0]=4 403 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [1,0,1,0,0,0|2,0,0]=4 404 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [1,0,1,0,0,0|2,0,0]=4 405 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [1,0,1,0,0,0|2,0,0]=4 406 B11R0.40 CCCCOCCN[C@H](C)CO 2230a_100000737577_100000743108 [1,0,1,0,0,0|2,0,0]=4 407 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [1,0,1,0,0,0|1,0,0]=3 408 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [1,0,1,0,0,0|1,0,0]=3 409 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [1,0,1,0,0,0|1,0,0]=3 410 B11R0.40 CCCCOCCOC(C)CF 34a_100016041109_100000743108 [1,0,1,0,0,0|2,0,0]=4 411 B11R0.40 CCCCOCCOC(C)CF 7a_100016041109_100000743108 [1,0,1,0,0,0|2,0,0]=4 412 B11R0.40 CCCCOCCOC(C)CN 34a_100000210904_100000743108 [1,0,1,0,0,0|2,0,0]=4 413 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [1,0,1,0,0,0|1,0,0]=3 414 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [1,0,1,0,0,0|1,0,0]=3 415 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [1,0,1,0,0,0|1,1,0]=4 416 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [1,0,1,0,0,0|1,1,0]=4 417 B11R0.40 CCCCOCCSC(C)CO 62a_100012180447_100000743108 [1,0,1,0,0,0|1,1,0]=4 418 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100000743108_100016084084 [1,0,1,0,0,0|1,1,0]=4 419 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100016084084_100000743108 [1,0,1,0,0,0|1,1,0]=4 420 B11R0.40 CCCCSCCNC(C)CC 2230a_100025743550_100000758301 [1,0,1,0,0,0|2,0,0]=4 421 B11R0.40 CCCCSCCNC(C)CO 2230a_100025743550_100012180447 [1,0,1,0,0,0|2,0,0]=4 422 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [1,0,1,0,0,0|1,0,0]=3 423 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [1,0,1,0,0,0|1,0,0]=3 424 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [1,0,1,0,0,0|1,0,0]=3 425 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [1,0,1,0,0,0|1,0,0]=3 426 B11R0.40 CCCOCCCNC(C)CC 2230a_100011217757_100000758301 [1,0,1,0,0,0|2,0,0]=4 427 B11R0.40 CCCOCCCNC(C)CC 34a_100011217757_100011215416 [1,0,1,0,0,0|2,0,0]=4 428 B11R0.40 CCCOCCCNC(C)CO 2230a_100011217757_100012180447 [1,0,1,0,0,0|2,0,0]=4 429 B11R0.40 CCCOCCCNC(C)CO 34a_100011217757_100012180447 [1,0,1,0,0,0|2,0,0]=4 430 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [1,0,1,0,0,0|2,0,0]=4 431 B11R0.40 CNCCCCCOC(C)CO 34a_100000722520_100012180447 [1,0,1,0,0,0|1,0,0]=3 432 B11R0.40 CNCCOCCOC(C)CO 34a_100000228057_100012180447 [1,0,1,0,0,0|2,0,0]=4 433 B11R0.40 COCCCCCNC(C)CO 2230a_100000747528_100012180447 [1,0,1,0,0,0|2,0,0]=4 434 B11R0.40 COCCCCCNC(C)CO 34a_100000747528_100012180447 [1,0,1,0,0,0|2,0,0]=4 435 B11R0.40 COCCOCCOC(C)CO 34a_100011215163_100012180447 [1,0,1,0,0,0|2,0,0]=4 436 B11R0.40 COCCOCCOC(C)CO 7a_100011215163_100012180447 [1,0,1,0,0,0|2,0,0]=4 437 B11R0.40 C[C@H](CO)NCCCCCCF 2230a_100000737577_100015922095 [1,0,1,0,0,0|2,0,0]=4 438 B11R0.40 C[C@H](CO)NCCCCCCO 2230a_100000737577_100000766143 [1,0,1,0,0,0|2,0,0]=4 439 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100015922095_100016084084 [1,0,1,0,0,0|1,1,0]=4 440 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100016084084_100015922095 [1,0,1,0,0,0|1,1,0]=4 441 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100000766143_100016084084 [1,0,1,0,0,0|1,1,0]=4 442 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100016084084_100000766143 [1,0,1,0,0,0|1,1,0]=4 443 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [1,0,1,0,0,0|2,0,0]=4 444 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [1,0,1,0,0,0|2,0,0]=4 445 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [1,0,1,0,0,0|2,0,0]=4 446 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [1,0,1,0,0,0|2,0,0]=4 447 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [1,0,1,0,0,0|1,0,0]=3 448 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [1,0,1,0,0,0|1,0,0]=3 449 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [1,0,1,0,0,0|1,0,0]=3 450 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [1,0,1,0,0,0|2,0,0]=4 451 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [1,0,1,0,0,0|2,0,0]=4 452 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [1,0,1,0,0,0|2,0,0]=4 453 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [1,0,1,0,0,0|2,0,0]=4 454 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [1,0,1,0,0,0|2,0,0]=4 455 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [1,0,1,0,0,0|2,0,0]=4 456 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [1,0,1,0,0,0|1,1,0]=4 457 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [1,0,1,0,0,0|1,1,0]=4 458 B11R0.81 CCCCNCC(C)OCCC 2230a_100015185124_100000210211 [1,0,1,0,0,0|2,0,0]=4 459 B11R0.81 CCCCNCC(C)OCCC 34a_100015185124_100000210210 [1,0,1,0,0,0|2,0,0]=4 460 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [1,0,1,0,0,0|2,0,0]=4 461 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [1,0,1,0,0,0|2,0,0]=4 462 B11R0.154 CCC(C)OC(C)CCCOC 34a_200011539412_100011215416 [1,0,1,0,0,0|2,0,0]=4 463 B11R0.154 CCC(C)OC(C)CCCOC 7a_200011539412_100000758301 [1,0,1,0,0,0|2,0,0]=4 464 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000209981_200011218191 [1,0,1,0,0,0|2,0,0]=4 465 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000211957_100000758301 [1,0,1,0,0,0|2,0,0]=4 466 B11R0.154 CCCCCC(C)NC(C)CC 270004a_100000209981_100000211708 [1,0,1,0,0,0|2,0,0]=4 467 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [1,0,1,0,0,0|1,0,0]=3 468 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [1,0,1,0,0,0|1,0,0]=3 469 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [1,0,1,0,0,0|1,0,0]=3 470 B11R0.154 CCCCCC(C)OC(C)CF 34a_100016041109_200011218191 [1,0,1,0,0,0|2,0,0]=4 471 B11R0.154 CCCCCC(C)OC(C)CF 7a_100016041109_200011218191 [1,0,1,0,0,0|2,0,0]=4 472 B11R0.154 CCCCCC(C)OC(C)CN 34a_100000210904_200011218191 [1,0,1,0,0,0|2,0,0]=4 473 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [1,0,1,0,0,0|2,0,0]=4 474 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [1,0,1,0,0,0|2,0,0]=4 475 B11R0.154 CCCCCC(C)SC(C)CC 62a_100000758301_200011218191 [1,0,1,0,0,0|1,1,0]=4 476 B11R0.154 CCCCCC(C)SC(C)CC 62a_200011218191_100000758301 [1,0,1,0,0,0|1,1,0]=4 477 B11R0.80 CCCCCC(CCC)NCC 270004a_100015525214_200011216343 [1,0,1,0,0,0|2,0,0]=4 478 B11R0.80 CCCCCC(CCC)OCC 34a_200011215058_100000210202 [1,0,1,0,0,0|1,0,0]=3 479 B11R0.80 CCCCCC(CCC)OCC 7a_200011215058_100000210202 [1,0,1,0,0,0|1,0,0]=3 480 B11R0.80 CCCCCC(CCC)OCF 34a_200011215058_100015361967 [1,0,1,0,0,0|2,0,0]=4 481 B11R0.80 CCCCCC(CCC)OCF 7a_200011215058_100015361967 [1,0,1,0,0,0|2,0,0]=4 482 B11R0.80 CCCNCC(OCC)OCC 34a_100000211098_100000210303 [1,0,1,0,0,0|1,0,0]=3 483 B11R0.80 CCCOCC(OCC)OCC 34a_100000210258_100000210512 [1,0,1,0,0,0|1,0,0]=3 484 B11R0.80 CCCOCC(OCC)OCC 34a_100011216334_100000210303 [1,0,1,0,0,0|1,0,0]=3 485 B11R0.80 CCCOCC(OCC)OCC 7a_100011216334_100000210303 [1,0,1,0,0,0|1,0,0]=3 486 B11R0.80 CCCSCC(OCC)OCC 62a_100000210303_100000210512 [1,0,1,0,0,0|1,0,0]=3 487 B11R0.80 CCCSCC(OCC)OCC 62a_100000210512_100000210303 [1,0,1,0,0,0|1,0,0]=3 488 B11R0.80 CCNCCC(OCC)OCC 2230a_100015525214_100000033671 [1,0,1,0,0,0|1,0,0]=3 489 B11R0.80 CCNCCC(OCC)OCC 34a_100000748396_100000210202 [1,0,1,0,0,0|1,0,0]=3 490 B11R0.80 CCOC(CCCNC)OCC 2230a_106832991635_100000034166 [1,0,1,0,0,0|1,0,0]=3 491 B11R0.80 CCOC(CCCNC)OCC 34a_100000211155_200000210301 [1,0,1,0,0,0|1,0,0]=3 492 B11R0.80 CCOC(CCCNC)OCC 34a_100102657272_100000034166 [1,0,1,0,0,0|1,0,0]=3 493 B11R0.80 CCOC(CCCNC)OCC 7a_106832991635_100000034166 [1,0,1,0,0,0|1,0,0]=3 494 B11R0.80 CCOC(CCCN[13CH3])OCC 34a_100000211155_200025704644 [1,0,1,0,0,0|1,0,0]=3 495 B11R0.80 CCOC(CCCOC)OCC 34a_100138415774_100000034166 [1,0,1,0,0,0|1,0,0]=3 496 B11R0.80 CCOC(CCCSC)OCC 62a_100000034166_200000210301 [1,0,1,0,0,0|1,0,0]=3 497 B11R0.80 CCOC(CCCSC)OCC 62a_200000210301_100000034166 [1,0,1,0,0,0|1,0,0]=3 498 B11R0.80 CCOC(CCCS[13CH3])OCC 62a_100000034166_200025704644 [1,0,1,0,0,0|1,0,0]=3 499 B11R0.80 CCOC(CCCS[13CH3])OCC 62a_200025704644_100000034166 [1,0,1,0,0,0|1,0,0]=3 500 B11R0.80 CCOC(CCNCF)OCC 34a_100000748396_100015361967 [1,0,1,0,0,0|2,0,0]=4 501 B11R0.80 CCOC(CCOCF)OCC 34a_100011218310_100015361967 [1,0,1,0,0,0|2,0,0]=4 502 B11R0.80 CCOC(CCOCF)OCC 7a_100011218310_100015361967 [1,0,1,0,0,0|2,0,0]=4 503 B11R0.80 CCOC(CCSCC)OCC 62a_100000033671_100000210202 [1,0,1,0,0,0|1,0,0]=3 504 B11R0.80 CCOC(CCSCC)OCC 62a_100000210202_100000033671 [1,0,1,0,0,0|1,0,0]=3 505 B11R0.80 CCOC(CCSCF)OCC 62a_100000033671_100015361967 [1,0,1,0,0,0|2,0,0]=4 506 B11R0.80 CCOC(CCSCF)OCC 62a_100015361967_100000033671 [1,0,1,0,0,0|2,0,0]=4 507 B11R0.80 CCOC(CNCCF)OCC 34a_100000211098_100011217306 [1,0,1,0,0,0|2,0,0]=4 508 B11R0.80 CCOC(CNCCF)OCC 34a_100000724931_100000210512 [1,0,1,0,0,0|2,0,0]=4 509 B11R0.80 CCOC(CNCCO)OCC 2230a_100016997473_100000210512 [1,0,1,0,0,0|2,0,0]=4 510 B11R0.80 CCOC(CNCCO)OCC 34a_100000211098_100000211926 [1,0,1,0,0,0|2,0,0]=4 511 B11R0.80 CCOC(CNCCO)OCC 34a_100016990907_100000210512 [1,0,1,0,0,0|2,0,0]=4 512 B11R0.80 CCOC(CNCSC)OCC 34a_100000211098_100011218213 [1,0,1,0,0,0|2,0,0]=4 513 B11R0.80 CCOC(COCCBr)OCC 34a_100000211926_100000210512 [1,0,1,0,0,0|2,0,0]=4 514 B11R0.80 CCOC(COCCF)OCC 34a_100011216334_100011217306 [1,0,1,0,0,0|2,0,0]=4 515 B11R0.80 CCOC(COCCF)OCC 7a_100011216334_100011217306 [1,0,1,0,0,0|2,0,0]=4 516 B11R0.80 CCOC(COCCN)OCC 34a_100000210304_100000210512 [1,0,1,0,0,0|2,0,0]=4 517 B11R0.80 CCOC(COCCO)OCC 34a_100011216334_100000211926 [1,0,1,0,0,0|2,0,0]=4 518 B11R0.80 CCOC(COCCO)OCC 7a_100011216334_100000211926 [1,0,1,0,0,0|2,0,0]=4 519 B11R0.80 CCOC(COCSC)OCC 34a_100011216334_100011218213 [1,0,1,0,0,0|2,0,0]=4 520 B11R0.80 CCOC(CSCCF)OCC 62a_100000210512_100011217306 [1,0,1,0,0,0|2,0,0]=4 521 B11R0.80 CCOC(CSCCF)OCC 62a_100011217306_100000210512 [1,0,1,0,0,0|2,0,0]=4 522 B11R0.80 CCOC(CSCCO)OCC 62a_100000210512_100000211926 [1,0,1,0,0,0|2,0,0]=4 523 B11R0.80 CCOC(CSCCO)OCC 62a_100000211926_100000210512 [1,0,1,0,0,0|2,0,0]=4 524 B11R0.80 CCOC(CSCOC)OCC 62a_100000210512_100000766300 [1,0,1,0,0,0|2,0,0]=4 525 B11R0.80 CCOC(CSCOC)OCC 62a_100000766300_100000210512 [1,0,1,0,0,0|2,0,0]=4 526 B11R0.80 CCOC(CSCSC)OCC 62a_100000210512_100011218213 [1,0,1,0,0,0|2,0,0]=4 527 B11R0.80 CCOC(CSCSC)OCC 62a_100011218213_100000210512 [1,0,1,0,0,0|2,0,0]=4 528 B11R0.80 CCOCCC(OCC)OCC 34a_100011218310_100000210202 [1,0,1,0,0,0|1,0,0]=3 529 B11R0.80 CCOCCC(OCC)OCC 34a_100121572206_100000033671 [1,0,1,0,0,0|1,0,0]=3 530 B11R0.80 CCOCCC(OCC)OCC 7a_100011218310_100000210202 [1,0,1,0,0,0|1,0,0]=3 531 B11R0.161 C=CC(CCCCCC)OCC 34a_200011215977_100000210202 [1,0,1,0,0,0|0,0,2]=4 532 B11R0.161 C=CC(CCCCCC)OCC 7a_200011215977_100000210202 [1,0,1,0,0,0|0,0,2]=4 533 B11R0.161 CCCCCCC(CC)NCC 270004a_100015525214_100011219640 [1,0,1,0,0,0|1,0,0]=3 534 B11R0.161 CCCCCCC(CC)OCC 34a_100011215785_100000210202 [1,0,1,0,0,0|0,0,0]=2 535 B11R0.161 CCCCCCC(CC)OCC 7a_100011215785_100000210202 [1,0,1,0,0,0|0,0,0]=2 536 B11R0.161 CCCCCCC(CC)OCF 34a_100011215785_100015361967 [1,0,1,0,0,0|1,0,0]=3 537 B11R0.161 CCCCCCC(CC)OCF 7a_100011215785_100015361967 [1,0,1,0,0,0|1,0,0]=3 538 B11R0.161 CCCCCCC(CCC)NC 270004a_106832991635_200011215359 [1,0,1,0,0,0|2,0,0]=4 539 B11R0.161 CCCCCCC(CCC)OC 34a_200011215193_200000210301 [1,0,1,0,0,0|1,0,0]=3 540 B11R0.161 CCCCCCC(CCC)OC 7a_200011215193_200000210301 [1,0,1,0,0,0|1,0,0]=3 541 B11R0.161 CCCCCCC(CCC)O[13CH3] 34a_200011215193_200025704644 [1,0,1,0,0,0|1,0,0]=3 542 B11R0.161 CCCCCCC(CCC)O[13CH3] 7a_200011215193_200025704644 [1,0,1,0,0,0|1,0,0]=3 543 B11R0.161 CCCCCCN(CC)CCC 2230a_100000226822_100000210314 [1,0,1,0,0,0|2,0,0]=4 544 B11R0.161 CCCCCCN(CC)CCC 269982a_100000226822_100000210757 [1,0,1,0,0,0|2,0,0]=4 545 B11R0.161 CCCCCNC(CC)CCC 2230a_100000747048_100000210326 [1,0,1,0,0,0|2,0,0]=4 546 B11R0.161 CCCCCNC(CC)CCC 270004a_100000209983_100000687865 [1,0,1,0,0,0|2,0,0]=4 547 B11R0.161 CCCCCOC(CC)CCC 34a_100000687864_100000718602 [1,0,1,0,0,0|2,0,0]=4 548 B11R0.161 CCCCCOC(CC)CCC 7a_100000210253_100011219200 [1,0,1,0,0,0|2,0,0]=4 549 B11R0.161 CCCCCOC(CC)CCC 7a_100000687864_100000210326 [1,0,1,0,0,0|2,0,0]=4 550 B11R0.161 CCCCCSC(CC)CCC 62a_100000210326_100011219200 [1,0,1,0,0,0|2,0,0]=4 551 B11R0.161 CCCCCSC(CC)CCC 62a_100011219200_100000210326 [1,0,1,0,0,0|2,0,0]=4 552 B11R0.161 CCCCNCC(CC)OCC 2230a_100015183923_100000210211 [1,0,1,0,0,0|1,0,0]=3 553 B11R0.161 CCCCNCC(CC)OCC 34a_100015183923_100000210210 [1,0,1,0,0,0|1,0,0]=3 554 B11R0.161 CCOC(CC)CNCCCF 2230a_100015183923_100011934791 [1,0,1,0,0,0|2,0,0]=4 555 B11R0.161 CCOC(CC)CNCCCF 34a_100015183923_100011934791 [1,0,1,0,0,0|2,0,0]=4 556 B11R0.161 CCOC(CC)CNCCCO 2230a_100015183923_100000230001 [1,0,1,0,0,0|2,0,0]=4 557 B11R0.161 CCOC(CC)CNCCCO 34a_100015183923_100000230001 [1,0,1,0,0,0|2,0,0]=4 558 B11R0.161 CCOC(CC)CNCCOC 2230a_100015183923_100011201679 [1,0,1,0,0,0|2,0,0]=4 559 B11R0.161 CCOC(CC)CNCCOC 34a_100015183923_100011201679 [1,0,1,0,0,0|2,0,0]=4 560 B11R0.161 CCOC(CC)CNCCSC 2230a_100015183923_100000751147 [1,0,1,0,0,0|2,0,0]=4 561 B11R0.161 CCOC(CC)CNCCSC 34a_100015183923_100000212216 [1,0,1,0,0,0|2,0,0]=4 562 B11R0.42 CC(C)C(C)OCCCCCF 7a_100000748068_100000729378 [1,0,1,0,0,0|2,0,0]=4 563 B11R0.42 CC(C)C(C)OCCCCCO 7a_100000748068_100000746330 [1,0,1,0,0,0|2,0,0]=4 564 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [1,0,1,0,0,0|1,0,1]=4 565 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [1,0,1,0,0,0|1,0,1]=4 566 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [1,0,1,0,0,0|0,0,2]=4 567 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [1,0,1,0,0,0|2,0,0]=4 568 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [1,0,1,0,0,0|2,0,0]=4 569 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [1,0,1,0,0,0|2,0,0]=4 570 B11R0.42 CCCCCCCN(C)C(C)C 2230a_100000228206_100000210206 [1,0,1,0,0,0|2,0,0]=4 571 B11R0.42 CCCCCCCN(C)C(C)C 269982a_100000228206_100000210206 [1,0,1,0,0,0|2,0,0]=4 572 B11R0.42 CCCCCCCN(C)C(C)C 269982a_200000211004_100000210681 [1,0,1,0,0,0|2,0,0]=4 573 B11R0.42 CCCCCCNC(C)C(C)C 2230a_100000211541_100000210314 [1,0,1,0,0,0|2,0,0]=4 574 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [1,0,1,0,0,0|0,0,2]=4 575 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [1,0,1,0,0,0|0,0,2]=4 576 B11R0.42 CCCCCCOC(C)C(C)C 7a_100000748068_100000210314 [1,0,1,0,0,0|1,0,0]=3 577 B11R0.42 CCCOCCOC(C)C(C)C 7a_100000748068_100011215938 [1,0,1,0,0,0|2,0,0]=4 578 B11R0.42 CCOCCCOC(C)C(C)C 7a_100000748068_100012232248 [1,0,1,0,0,0|2,0,0]=4 579 B11R0.42 COCCCCOC(C)C(C)C 7a_100000748068_100000730899 [1,0,1,0,0,0|2,0,0]=4 580 B11R0.148 C#CCCCCCOCC(C)O 34a_100000766912_100011218427 [1,0,1,0,0,0|0,0,2]=4 581 B11R0.148 C#CCCCCCOCC(C)O 7a_100000766912_100011218427 [1,0,1,0,0,0|0,0,2]=4 582 B11R0.148 C#CCCCCCOC[C@@H](C)O 34a_100000766912_100009817552 [1,0,1,0,0,0|0,0,2]=4 583 B11R0.148 C#CCCCCCOC[C@@H](C)O 7a_100000766912_100009817552 [1,0,1,0,0,0|0,0,2]=4 584 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [1,0,1,0,0,0|1,0,1]=4 585 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [1,0,1,0,0,0|1,0,1]=4 586 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [1,0,1,0,0,0|1,0,1]=4 587 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [1,0,1,0,0,0|0,0,2]=4 588 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [1,0,1,0,0,0|0,0,2]=4 589 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [1,0,1,0,0,0|0,0,2]=4 590 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [1,0,1,0,0,0|0,0,2]=4 591 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [1,0,1,0,0,0|2,0,0]=4 592 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [1,0,1,0,0,0|2,0,0]=4 593 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [1,0,1,0,0,0|2,0,0]=4 594 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [1,0,1,0,0,0|2,0,0]=4 595 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [1,0,1,0,0,0|2,0,0]=4 596 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [1,0,1,0,0,0|2,0,0]=4 597 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [1,0,1,0,0,0|2,0,0]=4 598 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [1,0,1,0,0,0|2,0,0]=4 599 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [1,0,1,0,0,0|2,0,0]=4 600 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [1,0,1,0,0,0|2,0,0]=4 601 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [1,0,1,0,0,0|2,0,0]=4 602 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [1,0,1,0,0,0|2,0,0]=4 603 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [1,0,1,0,0,0|2,0,0]=4 604 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [1,0,1,0,0,0|2,0,0]=4 605 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [1,0,1,0,0,0|2,0,0]=4 606 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [1,0,1,0,0,0|2,0,0]=4 607 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [1,0,1,0,0,0|2,0,0]=4 608 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [1,0,1,0,0,0|2,0,0]=4 609 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [1,0,1,0,0,0|2,0,0]=4 610 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [1,0,1,0,0,0|1,0,0]=3 611 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [1,0,1,0,0,0|1,0,0]=3 612 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [1,0,1,0,0,0|1,0,0]=3 613 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [1,0,1,0,0,0|1,0,0]=3 614 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [1,0,1,0,0,0|1,0,0]=3 615 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [1,0,1,0,0,0|1,0,0]=3 616 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [1,0,1,0,0,0|1,0,0]=3 617 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [1,0,1,0,0,0|1,1,0]=4 618 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [1,0,1,0,0,0|1,1,0]=4 619 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [1,0,1,0,0,0|1,1,0]=4 620 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [1,0,1,0,0,0|1,1,0]=4 621 B11R0.148 CC/C=C/CCCOCC(C)O 34a_100016287902_100011218427 [1,0,1,0,0,0|0,0,2]=4 622 B11R0.148 CC/C=C/CCCOCC(C)O 7a_100016287902_100011218427 [1,0,1,0,0,0|0,0,2]=4 623 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 34a_100016287902_100009817552 [1,0,1,0,0,0|0,0,2]=4 624 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 7a_100016287902_100009817552 [1,0,1,0,0,0|0,0,2]=4 625 B11R0.148 CCCC#CCCOCC(C)O 34a_100000042726_100011218427 [1,0,1,0,0,0|0,0,2]=4 626 B11R0.148 CCCC#CCCOCC(C)O 7a_100000042726_100011218427 [1,0,1,0,0,0|0,0,2]=4 627 B11R0.148 CCCC#CCCOC[C@@H](C)O 34a_100000042726_100009817552 [1,0,1,0,0,0|0,0,2]=4 628 B11R0.148 CCCC#CCCOC[C@@H](C)O 7a_100000042726_100009817552 [1,0,1,0,0,0|0,0,2]=4 629 B11R0.148 CCCC/C=C/COCC(C)O 34a_200016272032_100011218427 [1,0,1,0,0,0|0,0,2]=4 630 B11R0.148 CCCC/C=C/COCC(C)O 7a_200016272032_100011218427 [1,0,1,0,0,0|0,0,2]=4 631 B11R0.148 CCCC/C=C/COC[C@@H](C)O 34a_200016272032_100009817552 [1,0,1,0,0,0|0,0,2]=4 632 B11R0.148 CCCC/C=C/COC[C@@H](C)O 7a_200016272032_100009817552 [1,0,1,0,0,0|0,0,2]=4 633 B11R0.148 CCCCC#CCOCC(C)O 34a_200000034558_100011218427 [1,0,1,0,0,0|0,0,2]=4 634 B11R0.148 CCCCC#CCOCC(C)O 7a_200000034558_100011218427 [1,0,1,0,0,0|0,0,2]=4 635 B11R0.148 CCCCC#CCOC[C@@H](C)O 34a_200000034558_100009817552 [1,0,1,0,0,0|0,0,2]=4 636 B11R0.148 CCCCC#CCOC[C@@H](C)O 7a_200000034558_100009817552 [1,0,1,0,0,0|0,0,2]=4 637 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [1,0,1,0,0,0|2,0,0]=4 638 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [1,0,1,0,0,0|2,0,0]=4 639 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [1,0,1,0,0,0|2,0,0]=4 640 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [1,0,1,0,0,0|2,0,0]=4 641 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [1,0,1,0,0,0|1,0,0]=3 642 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [1,0,1,0,0,0|1,0,0]=3 643 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [1,0,1,0,0,0|1,0,0]=3 644 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [1,0,1,0,0,0|1,0,0]=3 645 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,0,1,0,0,0|0,0,2]=4 646 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [1,0,1,0,0,0|1,0,0]=3 647 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [1,0,1,0,0,0|1,0,0]=3 648 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [1,0,1,0,0,0|1,0,0]=3 649 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [1,0,1,0,0,0|1,0,0]=3 650 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [1,0,1,0,0,0|1,0,0]=3 651 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [1,0,1,0,0,0|0,0,0]=2 652 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [1,0,1,0,0,0|0,0,0]=2 653 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [1,0,1,0,0,0|2,0,0]=4 654 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [1,0,1,0,0,0|2,0,0]=4 655 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [1,0,1,0,0,0|2,0,0]=4 656 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [1,0,1,0,0,0|1,0,0]=3 657 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [1,0,1,0,0,0|1,0,0]=3 658 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [1,0,1,0,0,0|0,0,0]=2 659 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [1,0,1,0,0,0|0,0,0]=2 660 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [1,0,1,0,0,0|1,1,0]=4 661 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [1,0,1,0,0,0|1,1,0]=4 662 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [1,0,1,0,0,0|0,1,0]=3 663 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [1,0,1,0,0,0|0,1,0]=3 664 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [1,0,1,0,0,0|0,1,0]=3 665 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [1,0,1,0,0,0|0,1,0]=3 666 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [1,0,1,0,0,0|2,0,0]=4 667 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [1,0,1,0,0,0|2,0,0]=4 668 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [1,0,1,0,0,0|2,0,0]=4 669 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [1,0,1,0,0,0|2,0,0]=4 670 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [1,0,1,0,0,0|2,0,0]=4 671 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [1,0,1,0,0,0|2,0,0]=4 672 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [1,0,1,0,0,0|2,0,0]=4 673 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [1,0,1,0,0,0|2,0,0]=4 674 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [1,0,1,0,0,0|2,0,0]=4 675 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [1,0,1,0,0,0|2,0,0]=4 676 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [1,0,1,0,0,0|2,0,0]=4 677 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [1,0,1,0,0,0|2,0,0]=4 678 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [1,0,1,0,0,0|2,0,0]=4 679 B11R0.148 CCCCOCCOCC(C)Br 34a_100012180447_100000743108 [1,0,1,0,0,0|2,0,0]=4 680 B11R0.148 CCCCOCCOCC(C)C 34a_100000210238_100000210624 [1,0,1,0,0,0|2,0,0]=4 681 B11R0.148 CCCCOCCOCC(C)C 34a_100000210257_100000743108 [1,0,1,0,0,0|2,0,0]=4 682 B11R0.148 CCCCOCCOCC(C)C 34a_100000703358_100000210210 [1,0,1,0,0,0|2,0,0]=4 683 B11R0.148 CCCCOCCOCC(C)C 7a_100000210238_100000210760 [1,0,1,0,0,0|2,0,0]=4 684 B11R0.148 CCCCOCCOCC(C)C 7a_100000703358_100000210211 [1,0,1,0,0,0|2,0,0]=4 685 B11R0.148 CCCCOCCOCC(C)F 34a_100015925927_100000743108 [1,0,1,0,0,0|2,0,0]=4 686 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [1,0,1,0,0,0|1,0,0]=3 687 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [1,0,1,0,0,0|1,0,0]=3 688 B11R0.148 CCCCOCCOC[C@@H](C)Cl 34a_100016084084_100000743108 [1,0,1,0,0,0|2,0,0]=4 689 B11R0.148 CCCCOCCOC[C@@H](C)N 34a_100000737577_100000743108 [1,0,1,0,0,0|2,0,0]=4 690 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [1,0,1,0,0,0|1,0,0]=3 691 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [1,0,1,0,0,0|1,0,0]=3 692 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [1,0,1,0,0,0|1,1,0]=4 693 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [1,0,1,0,0,0|1,1,0]=4 694 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [1,0,1,0,0,0|1,1,0]=4 695 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [1,0,1,0,0,0|1,1,0]=4 696 B11R0.148 CCCCSCCNCC(C)O 2230a_100025743550_100011218427 [1,0,1,0,0,0|2,0,0]=4 697 B11R0.148 CCCCSCCNC[C@@H](C)O 2230a_100025743550_100009817552 [1,0,1,0,0,0|2,0,0]=4 698 B11R0.148 CCCCSCCOCC(C)C 34a_200000230436_100000210624 [1,0,1,0,0,0|2,0,0]=4 699 B11R0.148 CCCCSCCOCC(C)C 7a_200000230436_100000210760 [1,0,1,0,0,0|2,0,0]=4 700 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [1,0,1,0,0,0|1,0,0]=3 701 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [1,0,1,0,0,0|1,0,0]=3 702 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [1,0,1,0,0,0|1,0,0]=3 703 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [1,0,1,0,0,0|1,0,0]=3 704 B11R0.148 CCCNCCCOCC(C)C 2230a_100000205972_100000210303 [1,0,1,0,0,0|2,0,0]=4 705 B11R0.148 CCCNCCCOCC(C)C 34a_100000205972_100000210303 [1,0,1,0,0,0|2,0,0]=4 706 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [1,0,1,0,0,0|2,0,0]=4 707 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [1,0,1,0,0,0|2,0,0]=4 708 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [1,0,1,0,0,0|2,0,0]=4 709 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [1,0,1,0,0,0|2,0,0]=4 710 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [1,0,1,0,0,0|2,0,0]=4 711 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [1,0,1,0,0,0|1,0,0]=3 712 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [1,0,1,0,0,0|1,0,0]=3 713 B11R0.148 CNCCOCCOCC(C)O 34a_100000228057_100011218427 [1,0,1,0,0,0|2,0,0]=4 714 B11R0.148 CNCCOCCOC[C@@H](C)O 34a_100000228057_100009817552 [1,0,1,0,0,0|2,0,0]=4 715 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [1,0,1,0,0,0|2,0,0]=4 716 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [1,0,1,0,0,0|2,0,0]=4 717 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [1,0,1,0,0,0|2,0,0]=4 718 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [1,0,1,0,0,0|2,0,0]=4 719 B11R0.148 COCCOCCOCC(C)O 34a_100011215163_100011218427 [1,0,1,0,0,0|2,0,0]=4 720 B11R0.148 COCCOCCOCC(C)O 7a_100011215163_100011218427 [1,0,1,0,0,0|2,0,0]=4 721 B11R0.148 COCCOCCOC[C@@H](C)O 34a_100011215163_100009817552 [1,0,1,0,0,0|2,0,0]=4 722 B11R0.148 COCCOCCOC[C@@H](C)O 7a_100011215163_100009817552 [1,0,1,0,0,0|2,0,0]=4 723 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [1,0,1,0,0,0|2,0,0]=4 724 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [1,0,1,0,0,0|2,0,0]=4 725 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [1,0,1,0,0,0|2,0,0]=4 726 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [1,0,1,0,0,0|2,0,0]=4 727 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [1,0,1,0,0,0|2,0,0]=4 728 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [1,0,1,0,0,0|2,0,0]=4 729 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [1,0,1,0,0,0|1,0,0]=3 730 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [1,0,1,0,0,0|1,0,0]=3 731 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [1,0,1,0,0,0|1,0,0]=3 732 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [1,0,1,0,0,0|1,0,0]=3 733 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [1,0,1,0,0,0|1,0,0]=3 734 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [1,0,1,0,0,0|1,0,0]=3 735 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [1,0,1,0,0,0|1,0,0]=3 736 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [1,0,1,0,0,0|1,1,0]=4 737 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [1,0,1,0,0,0|1,1,0]=4 738 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [1,0,1,0,0,0|1,1,0]=4 739 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [1,0,1,0,0,0|1,1,0]=4 740 B11R1.4 BrCCCOCC1OCCO1 34a_100011217188_100000755774 [2,0,0,0,0,0|2,0,0]=4 741 B11R1.4 BrCCOCCC1OCCO1 34a_100000211926_100000740749 [2,0,0,0,0,0|2,0,0]=4 742 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [2,0,0,0,0,0|2,0,0]=4 743 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [2,0,0,0,0,0|2,0,0]=4 744 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [2,0,0,0,0,0|2,0,0]=4 745 B11R1.4 CCCCNCC1OCCO1 2230a_100000036311_100000210211 [2,0,0,0,0,0|1,0,0]=3 746 B11R1.4 CCCCNCC1OCCO1 2230a_100000102301_100000755774 [2,0,0,0,0,0|1,0,0]=3 747 B11R1.4 CCCCNCC1OCCO1 34a_100000036311_100000210210 [2,0,0,0,0,0|1,0,0]=3 748 B11R1.4 CCCCNCC1OCCO1 7a_106832991798_100000755774 [2,0,0,0,0,0|1,0,0]=3 749 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [2,0,0,0,0,0|2,0,0]=4 750 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [2,0,0,0,0,0|2,0,0]=4 751 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [2,0,0,0,0,0|2,0,0]=4 752 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [2,0,0,0,0,0|2,0,0]=4 753 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [2,0,0,0,0,0|2,0,0]=4 754 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [2,0,0,0,0,0|1,0,0]=3 755 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [2,0,0,0,0,0|1,0,0]=3 756 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [2,0,0,0,0,0|1,0,0]=3 757 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [2,0,0,0,0,0|2,0,0]=4 758 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [2,0,0,0,0,0|2,0,0]=4 759 B11R1.4 CCCCSCC1OCCO1 62a_100000210211_100000755774 [2,0,0,0,0,0|1,0,0]=3 760 B11R1.4 CCCCSCC1OCCO1 62a_100000755774_100000210210 [2,0,0,0,0,0|1,0,0]=3 761 B11R1.4 CCCNCCC1OCCO1 2230a_100000034215_100000210303 [2,0,0,0,0,0|1,0,0]=3 762 B11R1.4 CCCNCCC1OCCO1 34a_100000034215_100000210303 [2,0,0,0,0,0|1,0,0]=3 763 B11R1.4 CCCOCCC1OCCO1 34a_100000210258_100000740749 [2,0,0,0,0,0|1,0,0]=3 764 B11R1.4 CCCSCCC1OCCO1 62a_100000210303_100000740749 [2,0,0,0,0,0|1,0,0]=3 765 B11R1.4 CCNCCCC1OCCO1 2230a_100015525214_100000042513 [2,0,0,0,0,0|1,0,0]=3 766 B11R1.4 CCOCCCC1OCCO1 34a_100009871617_100000210202 [2,0,0,0,0,0|1,0,0]=3 767 B11R1.4 CCOCCCC1OCCO1 34a_100121572206_100009861162 [2,0,0,0,0,0|1,0,0]=3 768 B11R1.4 CCOCCCC1OCCO1 7a_100009871617_100000210202 [2,0,0,0,0,0|1,0,0]=3 769 B11R1.4 CCOCSCC1OCCO1 62a_100000739092_100000755774 [2,0,0,0,0,0|2,0,0]=4 770 B11R1.4 CCOCSCC1OCCO1 62a_100000755774_100000739092 [2,0,0,0,0,0|2,0,0]=4 771 B11R1.4 CCSCCCC1OCCO1 62a_100000210202_100000042513 [2,0,0,0,0,0|1,0,0]=3 772 B11R1.4 CNCCCCC1OCCO1 2230a_106832991635_100000034956 [2,0,0,0,0,0|1,0,0]=3 773 B11R1.4 CNCCCCC1OCCO1 34a_100102657272_200009813554 [2,0,0,0,0,0|1,0,0]=3 774 B11R1.4 CNCCCCC1OCCO1 7a_106832991635_100000034956 [2,0,0,0,0,0|1,0,0]=3 775 B11R1.4 COCCCCC1OCCO1 34a_100138415774_200009813554 [2,0,0,0,0,0|1,0,0]=3 776 B11R1.4 COCCNCC1OCCO1 2230a_100000036311_100011201679 [2,0,0,0,0,0|2,0,0]=4 777 B11R1.4 COCCNCC1OCCO1 2230a_100000209980_100000755774 [2,0,0,0,0,0|2,0,0]=4 778 B11R1.4 COCCNCC1OCCO1 34a_100000036311_100011201679 [2,0,0,0,0,0|2,0,0]=4 779 B11R1.4 COCCOCC1OCCO1 34a_100000087154_100011201679 [2,0,0,0,0,0|2,0,0]=4 780 B11R1.4 COCCOCC1OCCO1 34a_100000210237_100000755774 [2,0,0,0,0,0|2,0,0]=4 781 B11R1.4 COCCSCC1OCCO1 62a_100000233755_100000755774 [2,0,0,0,0,0|2,0,0]=4 782 B11R1.4 COCCSCC1OCCO1 62a_100000755774_100000233755 [2,0,0,0,0,0|2,0,0]=4 783 B11R1.4 COCNCCC1OCCO1 2230a_100000034215_100000766300 [2,0,0,0,0,0|2,0,0]=4 784 B11R1.4 COCSCCC1OCCO1 62a_100000766300_100000740749 [2,0,0,0,0,0|2,0,0]=4 785 B11R1.4 CSCCCCC1OCCO1 62a_200000210301_100000034956 [2,0,0,0,0,0|1,0,0]=3 786 B11R1.4 CSCCNCC1OCCO1 2230a_100000036311_100000751147 [2,0,0,0,0,0|2,0,0]=4 787 B11R1.4 CSCCNCC1OCCO1 2230a_100020590264_100000755774 [2,0,0,0,0,0|2,0,0]=4 788 B11R1.4 CSCCNCC1OCCO1 34a_100000036311_100000212216 [2,0,0,0,0,0|2,0,0]=4 789 B11R1.4 CSCCOCC1OCCO1 34a_100000087154_100000212216 [2,0,0,0,0,0|2,0,0]=4 790 B11R1.4 CSCCOCC1OCCO1 34a_100000230434_100000755774 [2,0,0,0,0,0|2,0,0]=4 791 B11R1.4 CSCCOCC1OCCO1 7a_100000230434_100000755774 [2,0,0,0,0,0|2,0,0]=4 792 B11R1.4 CSCCSCC1OCCO1 62a_100000212216_100000755774 [2,0,0,0,0,0|2,0,0]=4 793 B11R1.4 CSCCSCC1OCCO1 62a_100000755774_100000751147 [2,0,0,0,0,0|2,0,0]=4 794 B11R1.4 CSCNCCC1OCCO1 2230a_100000034215_100011218213 [2,0,0,0,0,0|2,0,0]=4 795 B11R1.4 CSCNCCC1OCCO1 34a_100000034215_100011218213 [2,0,0,0,0,0|2,0,0]=4 796 B11R1.4 CSCSCCC1OCCO1 62a_100011218213_100000740749 [2,0,0,0,0,0|2,0,0]=4 797 B11R1.4 ClCCCOCC1OCCO1 34a_100000230001_100000755774 [2,0,0,0,0,0|2,0,0]=4 798 B11R1.4 FCCCNCC1OCCO1 2230a_100000036311_100011934791 [2,0,0,0,0,0|2,0,0]=4 799 B11R1.4 FCCCNCC1OCCO1 2230a_100015189416_100000755774 [2,0,0,0,0,0|2,0,0]=4 800 B11R1.4 FCCCNCC1OCCO1 34a_100000036311_100011934791 [2,0,0,0,0,0|2,0,0]=4 801 B11R1.4 FCCCNCC1OCCO1 34a_100015189416_100000755774 [2,0,0,0,0,0|2,0,0]=4 802 B11R1.4 FCCCOCC1OCCO1 34a_100000087154_100011934791 [2,0,0,0,0,0|2,0,0]=4 803 B11R1.4 FCCCOCC1OCCO1 34a_100000759539_100000755774 [2,0,0,0,0,0|2,0,0]=4 804 B11R1.4 FCCCSCC1OCCO1 62a_100000755774_100011934791 [2,0,0,0,0,0|2,0,0]=4 805 B11R1.4 FCCCSCC1OCCO1 62a_100011934791_100000755774 [2,0,0,0,0,0|2,0,0]=4 806 B11R1.4 FCCNCCC1OCCO1 2230a_100000034215_100011217306 [2,0,0,0,0,0|2,0,0]=4 807 B11R1.4 FCCNCCC1OCCO1 34a_100000034215_100011217306 [2,0,0,0,0,0|2,0,0]=4 808 B11R1.4 FCCNCCC1OCCO1 34a_100000724931_100000740749 [2,0,0,0,0,0|2,0,0]=4 809 B11R1.4 FCCSCCC1OCCO1 62a_100011217306_100000740749 [2,0,0,0,0,0|2,0,0]=4 810 B11R1.4 FCOCCCC1OCCO1 34a_100009871617_100015361967 [2,0,0,0,0,0|2,0,0]=4 811 B11R1.4 FCOCCCC1OCCO1 7a_100009871617_100015361967 [2,0,0,0,0,0|2,0,0]=4 812 B11R1.4 FCSCCCC1OCCO1 62a_100015361967_100000042513 [2,0,0,0,0,0|2,0,0]=4 813 B11R1.4 NCCCOCC1OCCO1 34a_100000182051_100000755774 [2,0,0,0,0,0|2,0,0]=4 814 B11R1.4 NCCOCCC1OCCO1 34a_100000210304_100000740749 [2,0,0,0,0,0|2,0,0]=4 815 B11R1.4 OCCCNCC1OCCO1 2230a_100000036311_100000230001 [2,0,0,0,0,0|2,0,0]=4 816 B11R1.4 OCCCNCC1OCCO1 34a_100000036311_100000230001 [2,0,0,0,0,0|2,0,0]=4 817 B11R1.4 OCCCOCC1OCCO1 34a_100000087154_100000230001 [2,0,0,0,0,0|2,0,0]=4 818 B11R1.4 OCCCSCC1OCCO1 62a_100000755774_100011215043 [2,0,0,0,0,0|2,0,0]=4 819 B11R1.4 OCCCSCC1OCCO1 62a_100011215043_100000755774 [2,0,0,0,0,0|2,0,0]=4 820 B11R1.4 OCCNCCC1OCCO1 2230a_100000034215_100000211926 [2,0,0,0,0,0|2,0,0]=4 821 B11R1.4 OCCNCCC1OCCO1 2230a_100016997473_100000740749 [2,0,0,0,0,0|2,0,0]=4 822 B11R1.4 OCCNCCC1OCCO1 34a_100000034215_100000211926 [2,0,0,0,0,0|2,0,0]=4 823 B11R1.4 OCCNCCC1OCCO1 34a_100016990907_100000740749 [2,0,0,0,0,0|2,0,0]=4 824 B11R1.4 OCCSCCC1OCCO1 62a_100000211926_100000740749 [2,0,0,0,0,0|2,0,0]=4 825 B11R1.4 [13CH3]SCCCCC1OCCO1 62a_200025704644_100000034956 [2,0,0,0,0,0|1,0,0]=3 826 B13R0.17 CCCC(C)CCC(C)NC(C)CC 270004a_100000209981_200011216527 [0,1,1,0,0,0|2,0,0]=4 827 B13R0.274 CCCCCCCC(C)NC(C)CC 2230a_100000209981_200011218727 [0,1,1,0,0,0|2,0,0]=4 828 B13R0.274 CCCCCCCC(C)NC(C)CC 270004a_100000209981_100000210596 [0,1,1,0,0,0|2,0,0]=4 829 B13R0.274 CCCCCCCC(C)OC(C)CC 34a_200011215852_100011215416 [0,1,1,0,0,0|1,0,0]=3 830 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_100000210228_200011218727 [0,1,1,0,0,0|1,0,0]=3 831 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_200011215852_100000758301 [0,1,1,0,0,0|1,0,0]=3 832 B13R0.274 CCCCCCCC(C)OC(C)CF 34a_100016041109_200011218727 [0,1,1,0,0,0|2,0,0]=4 833 B13R0.274 CCCCCCCC(C)OC(C)CF 7a_100016041109_200011218727 [0,1,1,0,0,0|2,0,0]=4 834 B13R0.274 CCCCCCCC(C)OC(C)CN 34a_100000210904_200011218727 [0,1,1,0,0,0|2,0,0]=4 835 B13R0.274 CCCCCCCC(C)OC(C)CO 34a_200011215852_100012180447 [0,1,1,0,0,0|2,0,0]=4 836 B13R0.274 CCCCCCCC(C)OC(C)CO 7a_200011215852_100012180447 [0,1,1,0,0,0|2,0,0]=4 837 B13R0.274 CCCCCCNC(C)CC(C)CC 2230a_100000763565_100000210314 [0,1,1,0,0,0|2,0,0]=4 838 B13R0.274 CCCCCCNC(C)CC(C)CC 270004a_100000210581_100011710205 [0,1,1,0,0,0|2,0,0]=4 839 B13R0.284 CCCCCCC(C)NC(C)C(C)C 2230a_100000211541_100011215978 [0,1,1,0,0,0|2,0,0]=4 840 B13R0.284 CCCCCCC(C)NC(C)C(C)C 270004a_100000211541_100000210826 [0,1,1,0,0,0|2,0,0]=4 841 B13R0.284 CCCCCCC(C)OC(C)C(=O)C 34a_100000212229_100011215978 [0,1,1,0,0,0|1,0,1]=4 842 B13R0.284 CCCCCCC(C)OC(C)C(=O)C 7a_100000210265_100000179758 [0,1,1,0,0,0|1,0,1]=4 843 B13R0.284 CCCCCCC(C)OC(C)C(C)C 7a_100000748068_100011215978 [0,1,1,0,0,0|1,0,0]=3 844 B13R0.287 C#CC(CCCCCBr)OC(C)CC 34a_200010408556_100011215416 [0,1,1,0,0,0|2,0,0]=4 845 B13R0.287 C#CC(CCCCCBr)OC(C)CC 7a_200010408556_100000758301 [0,1,1,0,0,0|2,0,0]=4 846 B13R0.287 C=CC(CCCCCC)OC(C)CC 34a_200011215977_100011215416 [0,1,1,0,0,0|1,0,0]=3 847 B13R0.287 C=CC(CCCCCC)OC(C)CC 7a_200011215977_100000758301 [0,1,1,0,0,0|1,0,0]=3 848 B13R0.287 C=CC(CCCCCC)OC(C)CO 34a_200011215977_100012180447 [0,1,1,0,0,0|2,0,0]=4 849 B13R0.287 C=CC(CCCCCC)OC(C)CO 7a_200011215977_100012180447 [0,1,1,0,0,0|2,0,0]=4 850 B13R0.287 CCCCCCC(CC)NC(C)CC 270004a_100000209981_100011219640 [0,1,1,0,0,0|2,0,0]=4 851 B13R0.287 CCCCCCC(CC)OC(C)CC 34a_100011215785_100011215416 [0,1,1,0,0,0|1,0,0]=3 852 B13R0.287 CCCCCCC(CC)OC(C)CC 7a_100011215785_100000758301 [0,1,1,0,0,0|1,0,0]=3 853 B13R0.287 CCCCCCC(CC)OC(C)CO 34a_100011215785_100012180447 [0,1,1,0,0,0|2,0,0]=4 854 B13R0.287 CCCCCCC(CC)OC(C)CO 7a_100011215785_100012180447 [0,1,1,0,0,0|2,0,0]=4 855 B13R0.330 C#CCC(C)OC(C)CCCCCC 34a_100000685586_100011215978 [0,1,1,0,0,0|1,0,1]=4 856 B13R0.330 C#CCC(C)OC(C)CCCCCC 7a_100000685586_100011215978 [0,1,1,0,0,0|1,0,1]=4 857 B13R0.330 C/C=C/C(C)OC(C)CCCCCC 34a_200102604097_100011215978 [0,1,1,0,0,0|1,0,1]=4 858 B13R0.330 C=CC[C@@H](C)OC(C)CCCCCC 34a_100000731007_100011215978 [0,1,1,0,0,0|1,0,1]=4 859 B13R0.330 C=CC[C@@H](C)OC(C)CCCCCC 7a_100000731007_100011215978 [0,1,1,0,0,0|1,0,1]=4 860 B13R0.330 CC#CC(C)OC(C)CCCCCC 34a_100011216543_100011215978 [0,1,1,0,0,0|1,0,1]=4 861 B13R0.330 CCCCCCC(C)NC(C)CCC 2230a_100000210919_100000766640 [0,1,1,0,0,0|2,0,0]=4 862 B13R0.330 CCCCCCC(C)NC(C)CCC 2230a_100000741246_100011215978 [0,1,1,0,0,0|2,0,0]=4 863 B13R0.330 CCCCCCC(C)NC(C)CCC 270004a_100000210919_100000211909 [0,1,1,0,0,0|2,0,0]=4 864 B13R0.330 CCCCCCC(C)NC(C)CCC 270004a_100000741246_100000210826 [0,1,1,0,0,0|2,0,0]=4 865 B13R0.330 CCCCCCC(C)NC(C)CCC 34a_100000210919_100000766640 [0,1,1,0,0,0|2,0,0]=4 866 B13R0.330 CCCCCCC(C)NC(C)CCO 2230a_100000210919_100009893172 [0,1,1,0,0,0|2,0,0]=4 867 B13R0.330 CCCCCCC(C)NC(C)CCO 34a_100000210919_100009893172 [0,1,1,0,0,0|2,0,0]=4 868 B13R0.330 CCCCCCC(C)NC(C)COC 2230a_100000210919_100000765312 [0,1,1,0,0,0|2,0,0]=4 869 B13R0.330 CCCCCCC(C)NC(C)COC 270004a_100000210919_100000749346 [0,1,1,0,0,0|2,0,0]=4 870 B13R0.330 CCCCCCC(C)NC(C)COC 34a_100000210919_100000765312 [0,1,1,0,0,0|2,0,0]=4 871 B13R0.330 CCCCCCC(C)NC(C)CSC 270004a_100000210919_100011216314 [0,1,1,0,0,0|2,0,0]=4 872 B13R0.330 CCCCCCC(C)N[C@H](C)CCO 2230a_100000706166_100011215978 [0,1,1,0,0,0|2,0,0]=4 873 B13R0.330 CCCCCCC(C)N[C@H](C)CCO 270004a_100000706166_100000210826 [0,1,1,0,0,0|2,0,0]=4 874 B13R0.330 CCCCCCC(C)N[C@H](C)CCO 34a_100000706166_100011215978 [0,1,1,0,0,0|2,0,0]=4 875 B13R0.330 CCCCCCC(C)N[C@H](C)COC 2230a_100000764878_100011215978 [0,1,1,0,0,0|2,0,0]=4 876 B13R0.330 CCCCCCC(C)N[C@H](C)COC 270004a_100000764878_100000210826 [0,1,1,0,0,0|2,0,0]=4 877 B13R0.330 CCCCCCC(C)OC(C)CC#N 7a_100000210265_100009813641 [0,1,1,0,0,0|1,0,1]=4 878 B13R0.330 CCCCCCC(C)OC(C)CCBr 34a_100012276601_100011215978 [0,1,1,0,0,0|1,0,0]=3 879 B13R0.330 CCCCCCC(C)OC(C)CCC 34a_100000210265_100000766640 [0,1,1,0,0,0|1,0,0]=3 880 B13R0.330 CCCCCCC(C)OC(C)CCC 34a_100000764384_100011215978 [0,1,1,0,0,0|1,0,0]=3 881 B13R0.330 CCCCCCC(C)OC(C)CCC 7a_100000210265_100000766640 [0,1,1,0,0,0|1,0,0]=3 882 B13R0.330 CCCCCCC(C)OC(C)CCC 7a_100000764384_100011215978 [0,1,1,0,0,0|1,0,0]=3 883 B13R0.330 CCCCCCC(C)OC(C)CCO 34a_100000210265_100009893172 [0,1,1,0,0,0|1,0,0]=3 884 B13R0.330 CCCCCCC(C)OC(C)CCO 7a_100000210265_100009893172 [0,1,1,0,0,0|1,0,0]=3 885 B13R0.330 CCCCCCC(C)OC(C)COC 34a_100000210265_100000765312 [0,1,1,0,0,0|1,0,0]=3 886 B13R0.330 CCCCCCC(C)OC(C)COC 7a_100000210265_100000765312 [0,1,1,0,0,0|1,0,0]=3 887 B13R0.330 CCCCCCC(C)O[C@H](C)COC 34a_100011934205_100011215978 [0,1,1,0,0,0|1,0,0]=3 888 B13R0.330 CCCCCCC(C)SC(C)CCO 62a_100009893172_100011215978 [0,1,1,0,0,0|1,1,0]=4 889 B13R0.330 CCCCCCC(C)SC(C)CCO 62a_100011215978_100009893172 [0,1,1,0,0,0|1,1,0]=4 890 B13R0.330 CCCCCCC(C)SC(C)COC 62a_100000765312_100011215978 [0,1,1,0,0,0|1,1,0]=4 891 B13R0.330 CCCCCCC(C)SC(C)COC 62a_100011215978_100000765312 [0,1,1,0,0,0|1,1,0]=4 892 B13R0.330 CCCCOCC(C)OC(C)CCC 34a_100011217071_100000766640 [0,1,1,0,0,0|2,0,0]=4 893 B13R0.330 CCCCOCC(C)OC(C)CCC 7a_100011217071_100000766640 [0,1,1,0,0,0|2,0,0]=4 894 B13R0.330 CCCCOCC(C)OC(C)CCO 34a_100011217071_100009893172 [0,1,1,0,0,0|2,0,0]=4 895 B13R0.330 CCCCOCC(C)OC(C)CCO 7a_100011217071_100009893172 [0,1,1,0,0,0|2,0,0]=4 896 B13R0.330 CCCCOCC(C)OC(C)COC 34a_100011217071_100000765312 [0,1,1,0,0,0|2,0,0]=4 897 B13R0.330 CCCCOCC(C)OC(C)COC 7a_100011217071_100000765312 [0,1,1,0,0,0|2,0,0]=4 898 B13R0.330 CCCCOC[C@@H](C)OC(C)OCC 34a_200015424329_100000210210 [0,1,1,0,0,0|2,0,0]=4 899 B13R0.330 CCCCOC[C@@H](C)OC(C)OCC 7a_200015424329_100000210211 [0,1,1,0,0,0|2,0,0]=4 900 B13R0.422 CCCCCCC(C)C(=O)C(C)CC 1458a_100011192722_100011215978 [0,1,1,0,0,0|2,0,0]=4 901 B13R0.422 CCCCCCC(C)N(C)C(C)CC 2230a_100000741768_100011215978 [0,1,1,0,0,0|2,0,0]=4 902 B13R0.422 CCCCCCC(C)N(C)C(C)CC 269982a_100000741768_100011215978 [0,1,1,0,0,0|2,0,0]=4 903 B13R0.422 CCCCCCC(C)N(C)C(C)CC 270004a_100000741768_100000210826 [0,1,1,0,0,0|2,0,0]=4 904 B13R0.422 CCCCCCC(O)C(=O)C(C)CC 1458a_100011215828_100000758301 [0,1,1,0,0,0|1,0,0]=3 905 B13R0.422 CCCCCCC(O)C(=O)N(C)CC 240690a_100000225621_100011215828 [0,1,1,0,0,0|2,0,0]=4 906 B13R0.439 C#CC(CC)OC(C)CCCCCC 34a_100000758843_100011215978 [0,1,1,0,0,0|1,0,1]=4 907 B13R0.439 C#CC(CC)OC(C)CCCCCC 7a_100000758843_100011215978 [0,1,1,0,0,0|1,0,1]=4 908 B13R0.439 C=CC(CC)OC(C)CCCCCC 34a_100000766422_100011215978 [0,1,1,0,0,0|1,0,1]=4 909 B13R0.439 C=CC(CC)OC(C)CCCCCC 7a_100000766422_100011215978 [0,1,1,0,0,0|1,0,1]=4 910 B13R0.439 CCCCCCC(C)NC(CC)CC 2230a_100000199018_100011215978 [0,1,1,0,0,0|2,0,0]=4 911 B13R0.439 CCCCCCC(C)NC(CC)CC 270004a_100000199018_100000210826 [0,1,1,0,0,0|2,0,0]=4 912 B13R0.439 CCCCCCC(C)NC(CC)CC 270004a_100000210919_100000210860 [0,1,1,0,0,0|2,0,0]=4 913 B13R0.439 CCCCCCC(C)N[C@@H](CC)CO 2230a_100000709445_100011215978 [0,1,1,0,0,0|2,0,0]=4 914 B13R0.439 CCCCCCC(C)N[C@@H](CC)CO 270004a_100000709445_100000210826 [0,1,1,0,0,0|2,0,0]=4 915 B13R0.439 CCCCCCC(C)OC(CC)CC 7a_100000210265_100000210505 [0,1,1,0,0,0|1,0,0]=3 916 B13R0.439 CCCCCCC(C)OC(CC)CC 7a_100000688536_100011215978 [0,1,1,0,0,0|1,0,0]=3 917 B13R0.439 CCCCCCC(C)OC(CCl)CCl 7a_100000737055_100011215978 [0,1,1,0,0,0|2,0,0]=4 918 B13R0.439 CCCCCCC(C)OC(CF)CF 34a_100000032261_100011215978 [0,1,1,0,0,0|2,0,0]=4 919 B13R0.439 CCCCCCC(C)OC(CF)CF 7a_100000032261_100011215978 [0,1,1,0,0,0|2,0,0]=4 920 B13R0.439 CCCCCCC(C)OC(CN)CN 34a_100000031598_100011215978 [0,1,1,0,0,0|2,0,0]=4 921 B13R0.439 CCCCCCC(C)O[C@@H](CF)CCl 34a_100015614560_100011215978 [0,1,1,0,0,0|2,0,0]=4 922 B13R0.439 CCCCCCC(C)O[C@@H](CF)CCl 7a_100015614560_100011215978 [0,1,1,0,0,0|2,0,0]=4 923 B13R0.439 CCCCOCC(C)OC(CC)CC 7a_100011217071_100000210505 [0,1,1,0,0,0|2,0,0]=4 924 B13R0.805 CCC(C)OC(C)(C)CCCCCBr 7a_100010402123_100000758301 [0,1,1,0,0,0|2,0,0]=4 925 B13R0.805 CCCCCCC(C)(C)OC(C)CC 7a_200011995690_100000758301 [0,1,1,0,0,0|1,0,0]=3 926 B13R0.805 CCCCCCC(C)(C)OC(C)CO 7a_200011995690_100012180447 [0,1,1,0,0,0|2,0,0]=4 927 B13R0.1241 CCCCCCC(C)NC(C)(C)CC 2230a_100000211385_100011215978 [0,1,1,0,0,0|2,0,0]=4 928 B13R0.1241 CCCCCCC(C)NC(C)(C)CC 270004a_100000211385_100000210826 [0,1,1,0,0,0|2,0,0]=4 929 B13R0.1241 CCCCCCC(C)OC(C)(C)CC 7a_100000210230_100011215978 [0,1,1,0,0,0|1,0,0]=3 930 B13R0.1241 CCCCCCC(C)OC(C)(C)CC 7a_100000210265_100000210677 [0,1,1,0,0,0|1,0,0]=3 931 B13R0.1241 CCCCCCC(C)OC(C)(C)CCl 7a_100000764493_100011215978 [0,1,1,0,0,0|2,0,0]=4 932 B13R0.1241 CCCCOCC(C)OC(C)(C)CC 7a_100011217071_100000210677 [0,1,1,0,0,0|2,0,0]=4 933 B13R0.65 C#CCCCNCC(OCC)OCC 34a_100000211098_100000695029 [0,1,1,0,0,0|0,0,2]=4 934 B13R0.65 C#CCCCNCC(OCC)OCC 34a_100000718082_100000210512 [0,1,1,0,0,0|0,0,2]=4 935 B13R0.65 C#CCCCOCC(OCC)OCC 34a_100000215630_100000210512 [0,1,1,0,0,0|0,0,2]=4 936 B13R0.65 C#CCCCOCC(OCC)OCC 34a_100011216334_100000695029 [0,1,1,0,0,0|0,0,2]=4 937 B13R0.65 C#CCCCOCC(OCC)OCC 7a_100000215630_100000210512 [0,1,1,0,0,0|0,0,2]=4 938 B13R0.65 C#CCCCOCC(OCC)OCC 7a_100011216334_100011215417 [0,1,1,0,0,0|0,0,2]=4 939 B13R0.65 C#CCCCSCC(OCC)OCC 62a_100000210512_100011215417 [0,1,1,0,0,0|0,0,2]=4 940 B13R0.65 C#CCCCSCC(OCC)OCC 62a_100011215417_100000210512 [0,1,1,0,0,0|0,0,2]=4 941 B13R0.65 C#CCCNCCC(OCC)OCC 34a_100000748396_100000688953 [0,1,1,0,0,0|0,0,2]=4 942 B13R0.65 C#CCCNCCC(OCC)OCC 34a_100000755551_100000033671 [0,1,1,0,0,0|0,0,2]=4 943 B13R0.65 C#CCCOCCC(OCC)OCC 34a_100011215631_100000033671 [0,1,1,0,0,0|0,0,2]=4 944 B13R0.65 C#CCCOCCC(OCC)OCC 34a_100011218310_100000688953 [0,1,1,0,0,0|0,0,2]=4 945 B13R0.65 C#CCCOCCC(OCC)OCC 7a_100011218310_100000688953 [0,1,1,0,0,0|0,0,2]=4 946 B13R0.65 C#CCCSCCC(OCC)OCC 62a_100000033671_100000688953 [0,1,1,0,0,0|0,0,2]=4 947 B13R0.65 C#CCCSCCC(OCC)OCC 62a_100000688953_100000033671 [0,1,1,0,0,0|0,0,2]=4 948 B13R0.65 C#CCNCCCC(OCC)OCC 34a_100000211155_100000184674 [0,1,1,0,0,0|0,0,2]=4 949 B13R0.65 C#CCNCCCC(OCC)OCC 34a_100000212058_100000034166 [0,1,1,0,0,0|0,0,2]=4 950 B13R0.65 C#CCOCCCC(OCC)OCC 34a_100000210247_100000034166 [0,1,1,0,0,0|0,0,2]=4 951 B13R0.65 C#CCSCCCC(OCC)OCC 62a_100000038162_100000034166 [0,1,1,0,0,0|0,0,2]=4 952 B13R0.65 C/C=C/CCOCC(OCC)OCC 34a_100016278192_100000210512 [0,1,1,0,0,0|0,0,2]=4 953 B13R0.65 C/C=C/CNCCC(OCC)OCC 34a_100000748396_100102629194 [0,1,1,0,0,0|0,0,2]=4 954 B13R0.65 C/C=C/COCCC(OCC)OCC 34a_100011218310_100102629194 [0,1,1,0,0,0|0,0,2]=4 955 B13R0.65 C/C=C/COCCC(OCC)OCC 34a_100016270725_100000033671 [0,1,1,0,0,0|0,0,2]=4 956 B13R0.65 C/C=C/COCCC(OCC)OCC 7a_100011218310_100102629194 [0,1,1,0,0,0|0,0,2]=4 957 B13R0.65 C/C=C/CSCCC(OCC)OCC 62a_100000033671_100102629194 [0,1,1,0,0,0|0,0,2]=4 958 B13R0.65 C/C=C/CSCCC(OCC)OCC 62a_100102629194_100000033671 [0,1,1,0,0,0|0,0,2]=4 959 B13R0.65 C=CCCCNCC(OCC)OCC 2230a_100000700776_100000210512 [0,1,1,0,0,0|0,0,2]=4 960 B13R0.65 C=CCCCNCC(OCC)OCC 34a_100000211098_100000757094 [0,1,1,0,0,0|0,0,2]=4 961 B13R0.65 C=CCCCNCC(OCC)OCC 34a_100000700776_100000210512 [0,1,1,0,0,0|0,0,2]=4 962 B13R0.65 C=CCCCOCC(OCC)OCC 34a_100000758997_100000210512 [0,1,1,0,0,0|0,0,2]=4 963 B13R0.65 C=CCCCOCC(OCC)OCC 34a_100011216334_100000757094 [0,1,1,0,0,0|0,0,2]=4 964 B13R0.65 C=CCCCOCC(OCC)OCC 7a_100000758997_100000210512 [0,1,1,0,0,0|0,0,2]=4 965 B13R0.65 C=CCCCOCC(OCC)OCC 7a_100011216334_100000757094 [0,1,1,0,0,0|0,0,2]=4 966 B13R0.65 C=CCCCSCC(OCC)OCC 62a_100000210512_100000757094 [0,1,1,0,0,0|0,0,2]=4 967 B13R0.65 C=CCCCSCC(OCC)OCC 62a_100011713584_100000210512 [0,1,1,0,0,0|0,0,2]=4 968 B13R0.65 C=CCCNCCC(OCC)OCC 2230a_100015191253_100000033671 [0,1,1,0,0,0|0,0,2]=4 969 B13R0.65 C=CCCNCCC(OCC)OCC 34a_100000748396_100000754431 [0,1,1,0,0,0|0,0,2]=4 970 B13R0.65 C=CCCOCCC(OCC)OCC 34a_100011205117_100000033671 [0,1,1,0,0,0|0,0,2]=4 971 B13R0.65 C=CCCOCCC(OCC)OCC 34a_100011218310_100000754431 [0,1,1,0,0,0|0,0,2]=4 972 B13R0.65 C=CCCOCCC(OCC)OCC 7a_100011218310_100000754431 [0,1,1,0,0,0|0,0,2]=4 973 B13R0.65 C=CCCSCCC(OCC)OCC 62a_100000033671_100000754431 [0,1,1,0,0,0|0,0,2]=4 974 B13R0.65 C=CCCSCCC(OCC)OCC 62a_100000754431_100000033671 [0,1,1,0,0,0|0,0,2]=4 975 B13R0.65 C=CCNCCCC(OCC)OCC 2230a_100020586998_100000034166 [0,1,1,0,0,0|0,0,2]=4 976 B13R0.65 C=CCNCCCC(OCC)OCC 34a_100000211155_100015514636 [0,1,1,0,0,0|0,0,2]=4 977 B13R0.65 C=CCOCCCC(OCC)OCC 34a_200000210373_100000034166 [0,1,1,0,0,0|0,0,2]=4 978 B13R0.65 C=CCSCCCC(OCC)OCC 62a_100000034166_100000210623 [0,1,1,0,0,0|0,0,2]=4 979 B13R0.65 C=CCSCCCC(OCC)OCC 62a_100000210623_100000034166 [0,1,1,0,0,0|0,0,2]=4 980 B13R0.65 CC#CCCOCC(OCC)OCC 34a_100000750427_100000210512 [0,1,1,0,0,0|0,0,2]=4 981 B13R0.65 CC#CCNCCC(OCC)OCC 2230a_100000685387_100000033671 [0,1,1,0,0,0|0,0,2]=4 982 B13R0.65 CC#CCNCCC(OCC)OCC 34a_100000685387_100000033671 [0,1,1,0,0,0|0,0,2]=4 983 B13R0.65 CC#CCNCCC(OCC)OCC 34a_100000748396_100000748600 [0,1,1,0,0,0|0,0,2]=4 984 B13R0.65 CC#CCOCCC(OCC)OCC 34a_100000761923_100000033671 [0,1,1,0,0,0|0,0,2]=4 985 B13R0.65 CC#CCOCCC(OCC)OCC 34a_100011218310_100000748600 [0,1,1,0,0,0|0,0,2]=4 986 B13R0.65 CC#CCOCCC(OCC)OCC 7a_100011218310_100000748600 [0,1,1,0,0,0|0,0,2]=4 987 B13R0.65 CC#CCSCCC(OCC)OCC 62a_100000033671_100000748600 [0,1,1,0,0,0|0,0,2]=4 988 B13R0.65 CC#CCSCCC(OCC)OCC 62a_100000748600_100000033671 [0,1,1,0,0,0|0,0,2]=4 989 B13R0.65 CC/C=C\CNCC(OCC)OCC 34a_100000211098_100103147603 [0,1,1,0,0,0|0,0,2]=4 990 B13R0.65 CC/C=C\COCC(OCC)OCC 34a_100011216334_100103147603 [0,1,1,0,0,0|0,0,2]=4 991 B13R0.65 CC/C=C\COCC(OCC)OCC 34a_100016268518_100000210512 [0,1,1,0,0,0|0,0,2]=4 992 B13R0.65 CC/C=C\COCC(OCC)OCC 7a_100011216334_100103147603 [0,1,1,0,0,0|0,0,2]=4 993 B13R0.65 CC/C=C\CSCC(OCC)OCC 62a_100000210512_100103147603 [0,1,1,0,0,0|0,0,2]=4 994 B13R0.65 CC/C=C\CSCC(OCC)OCC 62a_100103147603_100000210512 [0,1,1,0,0,0|0,0,2]=4 995 B13R0.65 CC=CCNCCC(OCC)OCC 34a_100000748396_100000070051 [0,1,1,0,0,0|0,0,2]=4 996 B13R0.65 CC=CCOCCC(OCC)OCC 34a_100011218310_100000070051 [0,1,1,0,0,0|0,0,2]=4 997 B13R0.65 CC=CCOCCC(OCC)OCC 7a_100011218310_100000070051 [0,1,1,0,0,0|0,0,2]=4 998 B13R0.65 CC=CCSCCC(OCC)OCC 62a_100000033671_100000070051 [0,1,1,0,0,0|0,0,2]=4 999 B13R0.65 CC=CCSCCC(OCC)OCC 62a_100000070051_100000033671 [0,1,1,0,0,0|0,0,2]=4 1000 B13R0.65 CCC#CCNCC(OCC)OCC 34a_100000211098_100009813939 [0,1,1,0,0,0|0,0,2]=4 1001 B13R0.65 CCC#CCOCC(OCC)OCC 34a_100000032950_100000210512 [0,1,1,0,0,0|0,0,2]=4 1002 B13R0.65 CCC#CCOCC(OCC)OCC 34a_100011216334_100009813939 [0,1,1,0,0,0|0,0,2]=4 1003 B13R0.65 CCC#CCOCC(OCC)OCC 7a_100011216334_100009813939 [0,1,1,0,0,0|0,0,2]=4 1004 B13R0.65 CCC#CCSCC(OCC)OCC 62a_100000210512_100009813939 [0,1,1,0,0,0|0,0,2]=4 1005 B13R0.65 CCC#CCSCC(OCC)OCC 62a_100009813939_100000210512 [0,1,1,0,0,0|0,0,2]=4 1006 B13R0.65 CCCCCCCC(CCC)NCC 270004a_100015525214_200011216337 [0,1,1,0,0,0|2,0,0]=4 1007 B13R0.65 CCCCCCNC(CCC)CCC 2230a_100011207992_100000210314 [0,1,1,0,0,0|2,0,0]=4 1008 B13R0.65 CCCCCCNC(CCC)CCC 270004a_100000210581_100000210088 [0,1,1,0,0,0|2,0,0]=4 1009 B13R0.65 CCCCCCNC(CCC)CCC 34a_100011207992_100000210314 [0,1,1,0,0,0|2,0,0]=4 1010 B13R0.65 CCCCCCOC(CCC)CCC 34a_100000210259_200011218217 [0,1,1,0,0,0|2,0,0]=4 1011 B13R0.65 CCCCCCOC(CCC)CCC 34a_200011218534_100000210314 [0,1,1,0,0,0|2,0,0]=4 1012 B13R0.65 CCCCCCOC(CCC)CCC 7a_100000210259_200011218217 [0,1,1,0,0,0|2,0,0]=4 1013 B13R0.65 CCCCCCOC(CCC)CCC 7a_200011218534_100000210314 [0,1,1,0,0,0|2,0,0]=4 1014 B13R0.65 CCCCCNCC(OCC)OCC 2230a_100000209983_100000210512 [0,1,1,0,0,0|0,0,0]=2 1015 B13R0.65 CCCCCNCC(OCC)OCC 34a_100000211098_100000718602 [0,1,1,0,0,0|0,0,0]=2 1016 B13R0.65 CCCCCOCC(CCC)CCC 34a_200011215456_100000718602 [0,1,1,0,0,0|2,0,0]=4 1017 B13R0.65 CCCCCOCC(CCC)CCC 7a_200011215456_100000210326 [0,1,1,0,0,0|2,0,0]=4 1018 B13R0.65 CCCCCOCC(OCC)OCC 34a_100000210253_100000210512 [0,1,1,0,0,0|0,0,0]=2 1019 B13R0.65 CCCCCOCC(OCC)OCC 34a_100011216334_100000718602 [0,1,1,0,0,0|0,0,0]=2 1020 B13R0.65 CCCCCOCC(OCC)OCC 7a_100000210253_100000210512 [0,1,1,0,0,0|0,0,0]=2 1021 B13R0.65 CCCCCOCC(OCC)OCC 7a_100011216334_100000210326 [0,1,1,0,0,0|0,0,0]=2 1022 B13R0.65 CCCCCSCC(OCC)OCC 62a_100000210326_100000210512 [0,1,1,0,0,0|0,0,0]=2 1023 B13R0.65 CCCCCSCC(OCC)OCC 62a_100000210512_100000210326 [0,1,1,0,0,0|0,0,0]=2 1024 B13R0.65 CCCCNCCC(OCC)OCC 2230a_100000102301_100000033671 [0,1,1,0,0,0|0,0,0]=2 1025 B13R0.65 CCCCNCCC(OCC)OCC 34a_100000748396_100000210210 [0,1,1,0,0,0|0,0,0]=2 1026 B13R0.65 CCCCNCCC(OCC)OCC 7a_106832991798_100000033671 [0,1,1,0,0,0|0,0,0]=2 1027 B13R0.65 CCCCOCCC(OCC)OCC 34a_100000210227_100000033671 [0,1,1,0,0,0|0,0,0]=2 1028 B13R0.65 CCCCOCCC(OCC)OCC 34a_100011218310_100000210210 [0,1,1,0,0,0|0,0,0]=2 1029 B13R0.65 CCCCOCCC(OCC)OCC 7a_100000210227_100000033671 [0,1,1,0,0,0|0,0,0]=2 1030 B13R0.65 CCCCOCCC(OCC)OCC 7a_100011218310_100000210211 [0,1,1,0,0,0|0,0,0]=2 1031 B13R0.65 CCCCSCCC(OCC)OCC 62a_100000033671_100000210210 [0,1,1,0,0,0|0,0,0]=2 1032 B13R0.65 CCCCSCCC(OCC)OCC 62a_100000210211_100000033671 [0,1,1,0,0,0|0,0,0]=2 1033 B13R0.65 CCCNCCCC(OCC)OCC 34a_100000211155_100000210303 [0,1,1,0,0,0|0,0,0]=2 1034 B13R0.65 CCCOCCCC(OCC)OCC 34a_100000210258_100000034166 [0,1,1,0,0,0|0,0,0]=2 1035 B13R0.65 CCCSCCCC(OCC)OCC 62a_100000034166_100000210303 [0,1,1,0,0,0|0,0,0]=2 1036 B13R0.65 CCCSCCCC(OCC)OCC 62a_100000210303_100000034166 [0,1,1,0,0,0|0,0,0]=2 1037 B13R0.65 CCOC(CCCNCC=O)OCC 34a_100000211155_200009817547 [0,1,1,0,0,0|1,0,1]=4 1038 B13R0.65 CCOC(CCCNCCF)OCC 34a_100000211155_100011217306 [0,1,1,0,0,0|1,0,0]=3 1039 B13R0.65 CCOC(CCCNCCF)OCC 34a_100000724931_100000034166 [0,1,1,0,0,0|1,0,0]=3 1040 B13R0.65 CCOC(CCCNCCO)OCC 2230a_100016997473_100000034166 [0,1,1,0,0,0|1,0,0]=3 1041 B13R0.65 CCOC(CCCNCCO)OCC 34a_100000211155_100000211926 [0,1,1,0,0,0|1,0,0]=3 1042 B13R0.65 CCOC(CCCNCCO)OCC 34a_100016990907_100000034166 [0,1,1,0,0,0|1,0,0]=3 1043 B13R0.65 CCOC(CCCNCSC)OCC 34a_100000211155_100011218213 [0,1,1,0,0,0|1,0,0]=3 1044 B13R0.65 CCOC(CCCOCCBr)OCC 34a_100000211926_100000034166 [0,1,1,0,0,0|1,0,0]=3 1045 B13R0.65 CCOC(CCCOCCN)OCC 34a_100000210304_100000034166 [0,1,1,0,0,0|1,0,0]=3 1046 B13R0.65 CCOC(CCCSCC#N)OCC 62a_100000034166_100011215382 [0,1,1,0,0,0|1,0,1]=4 1047 B13R0.65 CCOC(CCCSCC#N)OCC 62a_100011215382_100000034166 [0,1,1,0,0,0|1,0,1]=4 1048 B13R0.65 CCOC(CCCSCC=O)OCC 62a_100000034166_200015260668 [0,1,1,0,0,0|1,0,1]=4 1049 B13R0.65 CCOC(CCCSCC=O)OCC 62a_200015260668_100000034166 [0,1,1,0,0,0|1,0,1]=4 1050 B13R0.65 CCOC(CCCSCCF)OCC 62a_100000034166_100011217306 [0,1,1,0,0,0|1,0,0]=3 1051 B13R0.65 CCOC(CCCSCCF)OCC 62a_100011217306_100000034166 [0,1,1,0,0,0|1,0,0]=3 1052 B13R0.65 CCOC(CCCSCCO)OCC 62a_100000034166_100000211926 [0,1,1,0,0,0|1,0,0]=3 1053 B13R0.65 CCOC(CCCSCCO)OCC 62a_100000211926_100000034166 [0,1,1,0,0,0|1,0,0]=3 1054 B13R0.65 CCOC(CCCSCOC)OCC 62a_100000034166_100000766300 [0,1,1,0,0,0|1,0,0]=3 1055 B13R0.65 CCOC(CCCSCOC)OCC 62a_100000766300_100000034166 [0,1,1,0,0,0|1,0,0]=3 1056 B13R0.65 CCOC(CCCSCSC)OCC 62a_100000034166_100011218213 [0,1,1,0,0,0|1,0,0]=3 1057 B13R0.65 CCOC(CCCSCSC)OCC 62a_100011218213_100000034166 [0,1,1,0,0,0|1,0,0]=3 1058 B13R0.65 CCOC(CCNCCCF)OCC 2230a_100015189416_100000033671 [0,1,1,0,0,0|1,0,0]=3 1059 B13R0.65 CCOC(CCNCCCF)OCC 34a_100000748396_100011934791 [0,1,1,0,0,0|1,0,0]=3 1060 B13R0.65 CCOC(CCNCCCF)OCC 34a_100015189416_100000033671 [0,1,1,0,0,0|1,0,0]=3 1061 B13R0.65 CCOC(CCNCCCO)OCC 34a_100000748396_100000230001 [0,1,1,0,0,0|1,0,0]=3 1062 B13R0.65 CCOC(CCNCCOC)OCC 2230a_100000209980_100000033671 [0,1,1,0,0,0|1,0,0]=3 1063 B13R0.65 CCOC(CCNCCOC)OCC 34a_100000748396_100011201679 [0,1,1,0,0,0|1,0,0]=3 1064 B13R0.65 CCOC(CCNCCSC)OCC 2230a_100020590264_100000033671 [0,1,1,0,0,0|1,0,0]=3 1065 B13R0.65 CCOC(CCNCCSC)OCC 34a_100000748396_100000212216 [0,1,1,0,0,0|1,0,0]=3 1066 B13R0.65 CCOC(CCOCCC#N)OCC 7a_100011218310_100000184422 [0,1,1,0,0,0|1,0,1]=4 1067 B13R0.65 CCOC(CCOCCCBr)OCC 34a_100011217188_100000033671 [0,1,1,0,0,0|1,0,0]=3 1068 B13R0.65 CCOC(CCOCCCCl)OCC 34a_100000230001_100000033671 [0,1,1,0,0,0|1,0,0]=3 1069 B13R0.65 CCOC(CCOCCCF)OCC 34a_100000759539_100000033671 [0,1,1,0,0,0|1,0,0]=3 1070 B13R0.65 CCOC(CCOCCCF)OCC 34a_100011218310_100011934791 [0,1,1,0,0,0|1,0,0]=3 1071 B13R0.65 CCOC(CCOCCCF)OCC 7a_100011218310_100011934791 [0,1,1,0,0,0|1,0,0]=3 1072 B13R0.65 CCOC(CCOCCCN)OCC 34a_100000182051_100000033671 [0,1,1,0,0,0|1,0,0]=3 1073 B13R0.65 CCOC(CCOCCCO)OCC 34a_100011218310_100000230001 [0,1,1,0,0,0|1,0,0]=3 1074 B13R0.65 CCOC(CCOCCCO)OCC 7a_100011218310_100011215043 [0,1,1,0,0,0|1,0,0]=3 1075 B13R0.65 CCOC(CCOCCOC)OCC 34a_100000210237_100000033671 [0,1,1,0,0,0|1,0,0]=3 1076 B13R0.65 CCOC(CCOCCOC)OCC 34a_100011218310_100011201679 [0,1,1,0,0,0|1,0,0]=3 1077 B13R0.65 CCOC(CCOCCOC)OCC 7a_100011218310_100000233755 [0,1,1,0,0,0|1,0,0]=3 1078 B13R0.65 CCOC(CCOCCON)OCC 34a_100000700252_100000033671 [0,1,1,0,0,0|2,0,0]=4 1079 B13R0.65 CCOC(CCOCCSC)OCC 34a_100000230434_100000033671 [0,1,1,0,0,0|1,0,0]=3 1080 B13R0.65 CCOC(CCOCCSC)OCC 34a_100011218310_100000212216 [0,1,1,0,0,0|1,0,0]=3 1081 B13R0.65 CCOC(CCOCCSC)OCC 7a_100000230434_100000033671 [0,1,1,0,0,0|1,0,0]=3 1082 B13R0.65 CCOC(CCOCCSC)OCC 7a_100011218310_100000212216 [0,1,1,0,0,0|1,0,0]=3 1083 B13R0.65 CCOC(CCSCCC#N)OCC 62a_100000033671_100011215226 [0,1,1,0,0,0|1,0,1]=4 1084 B13R0.65 CCOC(CCSCCC#N)OCC 62a_100011215226_100000033671 [0,1,1,0,0,0|1,0,1]=4 1085 B13R0.65 CCOC(CCSCCCF)OCC 62a_100000033671_100011934791 [0,1,1,0,0,0|1,0,0]=3 1086 B13R0.65 CCOC(CCSCCCF)OCC 62a_100011934791_100000033671 [0,1,1,0,0,0|1,0,0]=3 1087 B13R0.65 CCOC(CCSCCCO)OCC 62a_100000033671_100011215043 [0,1,1,0,0,0|1,0,0]=3 1088 B13R0.65 CCOC(CCSCCCO)OCC 62a_100011215043_100000033671 [0,1,1,0,0,0|1,0,0]=3 1089 B13R0.65 CCOC(CCSCCOC)OCC 62a_100000033671_100000233755 [0,1,1,0,0,0|1,0,0]=3 1090 B13R0.65 CCOC(CCSCCOC)OCC 62a_100000233755_100000033671 [0,1,1,0,0,0|1,0,0]=3 1091 B13R0.65 CCOC(CCSCCSC)OCC 62a_100000033671_100000751147 [0,1,1,0,0,0|1,0,0]=3 1092 B13R0.65 CCOC(CCSCCSC)OCC 62a_100000212216_100000033671 [0,1,1,0,0,0|1,0,0]=3 1093 B13R0.65 CCOC(CNCCCCF)OCC 34a_100000211098_100000729493 [0,1,1,0,0,0|1,0,0]=3 1094 B13R0.65 CCOC(CNCCCCO)OCC 2230a_100000750430_100000210512 [0,1,1,0,0,0|1,0,0]=3 1095 B13R0.65 CCOC(CNCCCCO)OCC 34a_100000211098_100011216708 [0,1,1,0,0,0|1,0,0]=3 1096 B13R0.65 CCOC(CNCCCCO)OCC 34a_100000750430_100000210512 [0,1,1,0,0,0|1,0,0]=3 1097 B13R0.65 CCOC(CNCCCOC)OCC 34a_100000211098_100000740836 [0,1,1,0,0,0|1,0,0]=3 1098 B13R0.65 CCOC(CNCCCOC)OCC 34a_100150723488_100000210512 [0,1,1,0,0,0|1,0,0]=3 1099 B13R0.65 CCOC(CNCCCSC)OCC 2230a_100000749238_100000210512 [0,1,1,0,0,0|1,0,0]=3 1100 B13R0.65 CCOC(CNCCSCC)OCC 2230a_100000106463_100000210512 [0,1,1,0,0,0|1,0,0]=3 1101 B13R0.65 CCOC(CNCCSCC)OCC 34a_100000211098_100000757381 [0,1,1,0,0,0|1,0,0]=3 1102 B13R0.65 CCOC(COCCCC#N)OCC 7a_100011216334_100000687738 [0,1,1,0,0,0|1,0,1]=4 1103 B13R0.65 CCOC(COCCCC=O)OCC 7a_100011216334_200011292268 [0,1,1,0,0,0|1,0,1]=4 1104 B13R0.65 CCOC(COCCCCBr)OCC 34a_100011216708_100000210512 [0,1,1,0,0,0|1,0,0]=3 1105 B13R0.65 CCOC(COCCCCCl)OCC 34a_100000210776_100000210512 [0,1,1,0,0,0|1,0,0]=3 1106 B13R0.65 CCOC(COCCCCCl)OCC 7a_100000210776_100000210512 [0,1,1,0,0,0|1,0,0]=3 1107 B13R0.65 CCOC(COCCCCF)OCC 34a_100011216334_100000729493 [0,1,1,0,0,0|1,0,0]=3 1108 B13R0.65 CCOC(COCCCCF)OCC 34a_100011995726_100000210512 [0,1,1,0,0,0|1,0,0]=3 1109 B13R0.65 CCOC(COCCCCF)OCC 7a_100011216334_100000729493 [0,1,1,0,0,0|1,0,0]=3 1110 B13R0.65 CCOC(COCCCCF)OCC 7a_100011995726_100000210512 [0,1,1,0,0,0|1,0,0]=3 1111 B13R0.65 CCOC(COCCCCI)OCC 34a_200012148704_100000210512 [0,1,1,0,0,0|1,0,0]=3 1112 B13R0.65 CCOC(COCCCCN)OCC 34a_100000750430_100000210512 [0,1,1,0,0,0|1,0,0]=3 1113 B13R0.65 CCOC(COCCCCO)OCC 34a_100011216334_100011216708 [0,1,1,0,0,0|1,0,0]=3 1114 B13R0.65 CCOC(COCCCCO)OCC 7a_100011216334_100000210776 [0,1,1,0,0,0|1,0,0]=3 1115 B13R0.65 CCOC(COCCCNC)OCC 34a_100000213112_100000210512 [0,1,1,0,0,0|1,0,0]=3 1116 B13R0.65 CCOC(COCCCOC)OCC 34a_100000740835_100000210512 [0,1,1,0,0,0|1,0,0]=3 1117 B13R0.65 CCOC(COCCCOC)OCC 34a_100011216334_100000740836 [0,1,1,0,0,0|1,0,0]=3 1118 B13R0.65 CCOC(COCCCOC)OCC 7a_100011216334_100000740836 [0,1,1,0,0,0|1,0,0]=3 1119 B13R0.65 CCOC(COCCCSC)OCC 34a_100000690336_100000210512 [0,1,1,0,0,0|1,0,0]=3 1120 B13R0.65 CCOC(COCCCSC)OCC 7a_100000690336_100000210512 [0,1,1,0,0,0|1,0,0]=3 1121 B13R0.65 CCOC(COCCSCC)OCC 34a_100000212035_100000210512 [0,1,1,0,0,0|1,0,0]=3 1122 B13R0.65 CCOC(COCCSCC)OCC 34a_100011216334_100000757381 [0,1,1,0,0,0|1,0,0]=3 1123 B13R0.65 CCOC(COCCSCC)OCC 7a_100000212035_100000210512 [0,1,1,0,0,0|1,0,0]=3 1124 B13R0.65 CCOC(COCCSCC)OCC 7a_100011216334_100000757381 [0,1,1,0,0,0|1,0,0]=3 1125 B13R0.65 CCOC(CSCCCC#N)OCC 62a_100000210512_100000687738 [0,1,1,0,0,0|1,0,1]=4 1126 B13R0.65 CCOC(CSCCCC#N)OCC 62a_100000687738_100000210512 [0,1,1,0,0,0|1,0,1]=4 1127 B13R0.65 CCOC(CSCCCC=O)OCC 62a_100000210512_200011292268 [0,1,1,0,0,0|1,0,1]=4 1128 B13R0.65 CCOC(CSCCCC=O)OCC 62a_200011292268_100000210512 [0,1,1,0,0,0|1,0,1]=4 1129 B13R0.65 CCOC(CSCCCCF)OCC 62a_100000210512_100000729493 [0,1,1,0,0,0|1,0,0]=3 1130 B13R0.65 CCOC(CSCCCCF)OCC 62a_100000729493_100000210512 [0,1,1,0,0,0|1,0,0]=3 1131 B13R0.65 CCOC(CSCCCCO)OCC 62a_100000210512_100000210776 [0,1,1,0,0,0|1,0,0]=3 1132 B13R0.65 CCOC(CSCCCCO)OCC 62a_100000210776_100000210512 [0,1,1,0,0,0|1,0,0]=3 1133 B13R0.65 CCOC(CSCCCOC)OCC 62a_100000210512_100000709357 [0,1,1,0,0,0|1,0,0]=3 1134 B13R0.65 CCOC(CSCCCOC)OCC 62a_100000709357_100000210512 [0,1,1,0,0,0|1,0,0]=3 1135 B13R0.65 CCOC(CSCCSCC)OCC 62a_100000210512_100000757381 [0,1,1,0,0,0|1,0,0]=3 1136 B13R0.65 CCOC(CSCCSCC)OCC 62a_100000757381_100000210512 [0,1,1,0,0,0|1,0,0]=3 1137 B13R0.65 CCOCCNCC(OCC)OCC 2230a_102516460346_100000210512 [0,1,1,0,0,0|1,0,0]=3 1138 B13R0.65 CCOCCNCC(OCC)OCC 34a_100000211098_100000210147 [0,1,1,0,0,0|1,0,0]=3 1139 B13R0.65 CCOCCNCC(OCC)OCC 34a_102516460346_100000210512 [0,1,1,0,0,0|1,0,0]=3 1140 B13R0.65 CCOCCOCC(OCC)OCC 34a_100000210136_100000210512 [0,1,1,0,0,0|1,0,0]=3 1141 B13R0.65 CCOCCOCC(OCC)OCC 34a_100011216334_100000210147 [0,1,1,0,0,0|1,0,0]=3 1142 B13R0.65 CCOCCOCC(OCC)OCC 7a_100000210136_100000210512 [0,1,1,0,0,0|1,0,0]=3 1143 B13R0.65 CCOCCOCC(OCC)OCC 7a_100011216334_100011215890 [0,1,1,0,0,0|1,0,0]=3 1144 B13R0.65 CCOCCSCC(OCC)OCC 62a_100000210147_100000210512 [0,1,1,0,0,0|1,0,0]=3 1145 B13R0.65 CCOCCSCC(OCC)OCC 62a_100000210512_100011215890 [0,1,1,0,0,0|1,0,0]=3 1146 B13R0.65 CCOCSCCC(OCC)OCC 62a_100000033671_100000739092 [0,1,1,0,0,0|1,0,0]=3 1147 B13R0.65 CCOCSCCC(OCC)OCC 62a_100000739092_100000033671 [0,1,1,0,0,0|1,0,0]=3 1148 B13R0.145 CCCCCCC(OCC)C(=O)OC 34a_100121572206_100009813864 [0,1,1,0,0,0|2,0,0]=4 1149 B13R0.145 CCCCCCC(OCC)C(C)CC 34a_200011290773_100000210202 [0,1,1,0,0,0|1,0,0]=3 1150 B13R0.145 CCCCCCC(OCC)C(C)CC 7a_200011290773_100000210202 [0,1,1,0,0,0|1,0,0]=3 1151 B13R0.145 CCCCCCC(OCF)C(C)CC 34a_200011290773_100015361967 [0,1,1,0,0,0|2,0,0]=4 1152 B13R0.145 CCCCCCC(OCF)C(C)CC 7a_200011290773_100015361967 [0,1,1,0,0,0|2,0,0]=4 1153 B13R0.155 CCCCCCC(CCC)OC(C)C 34a_200011215193_100000210206 [0,1,1,0,0,0|1,0,0]=3 1154 B13R0.155 CCCCCCC(CCC)OC(C)C 7a_200011215193_100000210206 [0,1,1,0,0,0|1,0,0]=3 1155 B13R0.174 CCCCC(=O)CC(OCC)OCC 1458a_100000082722_100000210211 [0,1,1,0,0,0|0,0,1]=3 1156 B13R0.174 CCCCC(=O)CC(OCC)OCC 1458a_100000210183_100000210512 [0,1,1,0,0,0|0,0,1]=3 1157 B13R0.174 CCCCN(C)CC(OCC)OCC 2230a_100000207549_100000210512 [0,1,1,0,0,0|1,0,0]=3 1158 B13R0.174 CCCCN(C)CC(OCC)OCC 269982a_100000207549_100000733474 [0,1,1,0,0,0|1,0,0]=3 1159 B13R0.174 CCCCN(C)CC(OCC)OCC 269982a_200000227172_100000210211 [0,1,1,0,0,0|1,0,0]=3 1160 B13R0.174 CCCCN(C)CC(OCC)OCC 34a_200000227172_100000210210 [0,1,1,0,0,0|1,0,0]=3 1161 B13R0.174 CCCNC(=O)CC(OCC)OCC 11a_100020643023_100000082722 [0,1,1,0,0,0|1,0,1]=4 1162 B13R0.174 CCCNC(=O)CC(OCC)OCC 1626a_100020643023_100000082722 [0,1,1,0,0,0|1,0,1]=4 1163 B13R0.174 CCCNC(=O)CC(OCC)OCC 240690a_100020643023_100000082722 [0,1,1,0,0,0|1,0,1]=4 1164 B13R0.174 CCCNC(=O)CC(OCC)OCC 527a_100020643023_100000082722 [0,1,1,0,0,0|1,0,1]=4 1165 B13R0.174 CCOC(CC(=O)CCCF)OCC 1458a_100000082722_100011934791 [0,1,1,0,0,0|1,0,1]=4 1166 B13R0.174 CCOC(CC(=O)CCCO)OCC 1458a_100000082722_100011215043 [0,1,1,0,0,0|1,0,1]=4 1167 B13R0.174 CCOC(CC(=O)CCOC)OCC 1458a_100000082722_100000233755 [0,1,1,0,0,0|1,0,1]=4 1168 B13R0.174 CCOC(CC(=O)CCOC)OCC 1458a_100000749529_100000210512 [0,1,1,0,0,0|1,0,1]=4 1169 B13R0.174 CCOC(CC(=O)CCSC)OCC 1458a_100000082722_100000751147 [0,1,1,0,0,0|1,0,1]=4 1170 B13R0.174 CCOC(CC(=O)CCSC)OCC 1458a_100000174002_100000210512 [0,1,1,0,0,0|1,0,1]=4 1171 B13R0.174 CCOC(CC(=O)CSCC)OCC 1458a_100000230394_100000210512 [0,1,1,0,0,0|1,0,1]=4 1172 B13R0.174 CCOC(CN(C)CCCF)OCC 269982a_200000227172_100011934791 [0,1,1,0,0,0|2,0,0]=4 1173 B13R0.174 CCOC(CN(C)CCCF)OCC 34a_200000227172_100011934791 [0,1,1,0,0,0|2,0,0]=4 1174 B13R0.174 CCOC(CN(C)CCCO)OCC 2230a_100000213112_100000210512 [0,1,1,0,0,0|2,0,0]=4 1175 B13R0.174 CCOC(CN(C)CCCO)OCC 269982a_100000213112_100000733474 [0,1,1,0,0,0|2,0,0]=4 1176 B13R0.174 CCOC(CN(C)CCCO)OCC 269982a_200000227172_100011215043 [0,1,1,0,0,0|2,0,0]=4 1177 B13R0.174 CCOC(CN(C)CCCO)OCC 34a_200000227172_100000230001 [0,1,1,0,0,0|2,0,0]=4 1178 B13R0.174 CCOC(CN(C)CCOC)OCC 2230a_100000743101_100000210512 [0,1,1,0,0,0|2,0,0]=4 1179 B13R0.174 CCOC(CN(C)CCOC)OCC 269982a_100000743101_100000733474 [0,1,1,0,0,0|2,0,0]=4 1180 B13R0.174 CCOC(CN(C)CCOC)OCC 269982a_200000227172_100000233755 [0,1,1,0,0,0|2,0,0]=4 1181 B13R0.174 CCOC(CN(C)CCOC)OCC 34a_200000227172_100011201679 [0,1,1,0,0,0|2,0,0]=4 1182 B13R0.174 CCOC(CN(C)CCSC)OCC 2230a_100000686725_100000210512 [0,1,1,0,0,0|2,0,0]=4 1183 B13R0.174 CCOC(CN(C)CCSC)OCC 269982a_100000686725_100000733474 [0,1,1,0,0,0|2,0,0]=4 1184 B13R0.174 CCOC(CN(C)CCSC)OCC 269982a_200000227172_100000212216 [0,1,1,0,0,0|2,0,0]=4 1185 B13R0.174 CCOC(CN(C)CCSC)OCC 34a_200000227172_100000212216 [0,1,1,0,0,0|2,0,0]=4 1186 B13R0.174 CCOCC(=O)CC(OCC)OCC 1458a_100000211967_100000210512 [0,1,1,0,0,0|1,0,1]=4 1187 B13R0.174 CCOCN(C)CC(OCC)OCC 269982a_200000227172_100000739092 [0,1,1,0,0,0|2,0,0]=4 1188 B13R0.192 CCCCCC(=O)C(OCC)OCC 1458a_100000082760_100000210326 [0,1,1,0,0,0|0,0,1]=3 1189 B13R0.192 CCCCNC(=O)C(OCC)OCC 11a_100000102301_100000082760 [0,1,1,0,0,0|1,0,1]=4 1190 B13R0.192 CCCCNC(=O)C(OCC)OCC 1626a_100000102301_100000082760 [0,1,1,0,0,0|1,0,1]=4 1191 B13R0.192 CCCCNC(=O)C(OCC)OCC 240690a_100000102301_100000082760 [0,1,1,0,0,0|1,0,1]=4 1192 B13R0.192 CCCCNC(=O)C(OCC)OCC 527a_100000102301_100000082760 [0,1,1,0,0,0|1,0,1]=4 1193 B13R0.192 CCCCOC(C)C(OCC)OCC 34a_100000210227_100009815656 [0,1,1,0,0,0|1,0,0]=3 1194 B13R0.192 CCCCSC(C)C(OCC)OCC 62a_100000210211_100009815656 [0,1,1,0,0,0|1,0,0]=3 1195 B13R0.192 CCCCSC(C)C(OCC)OCC 62a_100009815656_100000210210 [0,1,1,0,0,0|1,0,0]=3 1196 B13R0.192 CCOC(OCC)C(=O)CCCCF 1458a_100000082760_100000729493 [0,1,1,0,0,0|1,0,1]=4 1197 B13R0.192 CCOC(OCC)C(=O)CCCCO 1458a_100000082760_100000210776 [0,1,1,0,0,0|1,0,1]=4 1198 B13R0.192 CCOC(OCC)C(=O)CCCOC 1458a_100000082760_100000740836 [0,1,1,0,0,0|1,0,1]=4 1199 B13R0.192 CCOC(OCC)C(=O)CCSCC 1458a_100000082760_100000757381 [0,1,1,0,0,0|1,0,1]=4 1200 B13R0.192 CCOC(OCC)C(C)NCCCF 34a_100015189416_100009815656 [0,1,1,0,0,0|2,0,0]=4 1201 B13R0.192 CCOC(OCC)C(C)OCCCBr 34a_100011217188_100009815656 [0,1,1,0,0,0|2,0,0]=4 1202 B13R0.192 CCOC(OCC)C(C)OCCCCl 34a_100000230001_100009815656 [0,1,1,0,0,0|2,0,0]=4 1203 B13R0.192 CCOC(OCC)C(C)OCCCF 34a_100000759539_100009815656 [0,1,1,0,0,0|2,0,0]=4 1204 B13R0.192 CCOC(OCC)C(C)OCCCN 34a_100000182051_100009815656 [0,1,1,0,0,0|2,0,0]=4 1205 B13R0.192 CCOC(OCC)C(C)OCCOC 34a_100000210237_100009815656 [0,1,1,0,0,0|2,0,0]=4 1206 B13R0.192 CCOC(OCC)C(C)OCCSC 34a_100000230434_100009815656 [0,1,1,0,0,0|2,0,0]=4 1207 B13R0.192 CCOC(OCC)C(C)SCCCF 62a_100009815656_100011934791 [0,1,1,0,0,0|2,0,0]=4 1208 B13R0.192 CCOC(OCC)C(C)SCCCF 62a_100011934791_100009815656 [0,1,1,0,0,0|2,0,0]=4 1209 B13R0.192 CCOC(OCC)C(C)SCCCO 62a_100009815656_100011215043 [0,1,1,0,0,0|2,0,0]=4 1210 B13R0.192 CCOC(OCC)C(C)SCCCO 62a_100011215043_100009815656 [0,1,1,0,0,0|2,0,0]=4 1211 B13R0.192 CCOC(OCC)C(C)SCCOC 62a_100000233755_100009815656 [0,1,1,0,0,0|2,0,0]=4 1212 B13R0.192 CCOC(OCC)C(C)SCCOC 62a_100009815656_100000233755 [0,1,1,0,0,0|2,0,0]=4 1213 B13R0.192 CCOC(OCC)C(C)SCCSC 62a_100000212216_100009815656 [0,1,1,0,0,0|2,0,0]=4 1214 B13R0.192 CCOC(OCC)C(C)SCCSC 62a_100009815656_100000751147 [0,1,1,0,0,0|2,0,0]=4 1215 B13R0.192 CCOCCC(=O)C(OCC)OCC 1458a_100000082760_100011215890 [0,1,1,0,0,0|1,0,1]=4 1216 B13R0.192 CCOCSC(C)C(OCC)OCC 62a_100000739092_100009815656 [0,1,1,0,0,0|2,0,0]=4 1217 B13R0.192 CCOCSC(C)C(OCC)OCC 62a_100009815656_100000739092 [0,1,1,0,0,0|2,0,0]=4 1218 B13R0.216 C=C(C)CCNCC(OCC)OCC 34a_100000211098_100000730704 [0,1,1,0,0,0|1,0,1]=4 1219 B13R0.216 C=C(C)CCOCC(OCC)OCC 34a_100000764851_100000210512 [0,1,1,0,0,0|1,0,1]=4 1220 B13R0.216 C=C(C)CCOCC(OCC)OCC 34a_100011216334_100000730704 [0,1,1,0,0,0|1,0,1]=4 1221 B13R0.216 C=C(C)CCOCC(OCC)OCC 7a_100011216334_100000730704 [0,1,1,0,0,0|1,0,1]=4 1222 B13R0.216 C=C(C)CCSCC(OCC)OCC 62a_100000210512_100000730704 [0,1,1,0,0,0|1,0,1]=4 1223 B13R0.216 C=C(C)CCSCC(OCC)OCC 62a_100000730704_100000210512 [0,1,1,0,0,0|1,0,1]=4 1224 B13R0.216 C=C(C)CNCCC(OCC)OCC 34a_100000748396_100000748629 [0,1,1,0,0,0|1,0,1]=4 1225 B13R0.216 C=C(C)COCCC(OCC)OCC 34a_100000210245_100000033671 [0,1,1,0,0,0|1,0,1]=4 1226 B13R0.216 C=C(C)COCCC(OCC)OCC 34a_100011218310_100000748629 [0,1,1,0,0,0|1,0,1]=4 1227 B13R0.216 C=C(C)COCCC(OCC)OCC 7a_100011218310_100000748629 [0,1,1,0,0,0|1,0,1]=4 1228 B13R0.216 C=C(C)CSCCC(OCC)OCC 62a_100000033671_100000211660 [0,1,1,0,0,0|1,0,1]=4 1229 B13R0.216 C=C(C)CSCCC(OCC)OCC 62a_100000748629_100000033671 [0,1,1,0,0,0|1,0,1]=4 1230 B13R0.216 CCOC(CCCNC(=O)C)OCC 11a_100000211155_100015343762 [0,1,1,0,0,0|1,0,1]=4 1231 B13R0.216 CCOC(CCCNC(=O)C)OCC 1626a_100000211155_100015343762 [0,1,1,0,0,0|1,0,1]=4 1232 B13R0.216 CCOC(CCCNC(=O)C)OCC 240690a_100000211155_100015343762 [0,1,1,0,0,0|1,0,1]=4 1233 B13R0.216 CCOC(CCCNC(=O)C)OCC 527a_100000211155_100103153847 [0,1,1,0,0,0|1,0,1]=4 1234 B13R0.216 CCOC(CCCNC(C)C)OCC 2230a_100138425928_100000034166 [0,1,1,0,0,0|1,0,0]=3 1235 B13R0.216 CCOC(CCCNC(C)C)OCC 34a_100000211155_100000210206 [0,1,1,0,0,0|1,0,0]=3 1236 B13R0.216 CCOC(CCCNC(C)C)OCC 34a_100138425928_100000034166 [0,1,1,0,0,0|1,0,0]=3 1237 B13R0.216 CCOC(CCCOC(C)C)OCC 34a_100000212225_100000034166 [0,1,1,0,0,0|1,0,0]=3 1238 B13R0.216 CCOC(CCCSC(C)C)OCC 62a_100000034166_100000210206 [0,1,1,0,0,0|1,0,0]=3 1239 B13R0.216 CCOC(CCCSC(C)C)OCC 62a_100000210206_100000034166 [0,1,1,0,0,0|1,0,0]=3 1240 B13R0.216 CCOC(CCNCC(C)C)OCC 2230a_100000210953_100000033671 [0,1,1,0,0,0|1,0,0]=3 1241 B13R0.216 CCOC(CCNCC(C)C)OCC 270004a_100000748396_100000210432 [0,1,1,0,0,0|1,0,0]=3 1242 B13R0.216 CCOC(CCNCC(C)C)OCC 34a_100000210953_100000033671 [0,1,1,0,0,0|1,0,0]=3 1243 B13R0.216 CCOC(CCNCC(C)C)OCC 34a_100000748396_100000210624 [0,1,1,0,0,0|1,0,0]=3 1244 B13R0.216 CCOC(CCNCC(C)O)OCC 2230a_100000210904_100000033671 [0,1,1,0,0,0|1,0,0]=3 1245 B13R0.216 CCOC(CCNCC(C)O)OCC 34a_100000210904_100000033671 [0,1,1,0,0,0|1,0,0]=3 1246 B13R0.216 CCOC(CCNCC(C)O)OCC 34a_100000748396_100011218427 [0,1,1,0,0,0|1,0,0]=3 1247 B13R0.216 CCOC(CCNCC(F)F)OCC 34a_100000748396_100011934356 [0,1,1,0,0,0|2,0,0]=4 1248 B13R0.216 CCOC(CCNCC(F)F)OCC 34a_100000765723_100000033671 [0,1,1,0,0,0|2,0,0]=4 1249 B13R0.216 CCOC(CCNC[C@@H](C)O)OCC 34a_100000748396_100009817552 [0,1,1,0,0,0|1,0,0]=3 1250 B13R0.216 CCOC(CCOCC(=O)C)OCC 34a_100000211253_100000033671 [0,1,1,0,0,0|1,0,1]=4 1251 B13R0.216 CCOC(CCOCC(C)Br)OCC 34a_100012180447_100000033671 [0,1,1,0,0,0|1,0,0]=3 1252 B13R0.216 CCOC(CCOCC(C)C)OCC 34a_100000210257_100000033671 [0,1,1,0,0,0|1,0,0]=3 1253 B13R0.216 CCOC(CCOCC(C)C)OCC 34a_100011218310_100000210624 [0,1,1,0,0,0|1,0,0]=3 1254 B13R0.216 CCOC(CCOCC(C)C)OCC 7a_100011218310_100000210760 [0,1,1,0,0,0|1,0,0]=3 1255 B13R0.216 CCOC(CCOCC(C)F)OCC 34a_100015925927_100000033671 [0,1,1,0,0,0|1,0,0]=3 1256 B13R0.216 CCOC(CCOCC(C)O)OCC 34a_100011218310_100011218427 [0,1,1,0,0,0|1,0,0]=3 1257 B13R0.216 CCOC(CCOCC(C)O)OCC 7a_100011218310_100011218427 [0,1,1,0,0,0|1,0,0]=3 1258 B13R0.216 CCOC(CCOCC(F)F)OCC 34a_100000743014_100000033671 [0,1,1,0,0,0|2,0,0]=4 1259 B13R0.216 CCOC(CCOCC(F)F)OCC 34a_100011218310_100011934356 [0,1,1,0,0,0|2,0,0]=4 1260 B13R0.216 CCOC(CCOCC(F)F)OCC 7a_100011218310_100011934356 [0,1,1,0,0,0|2,0,0]=4 1261 B13R0.216 CCOC(CCOC[C@@H](C)Cl)OCC 34a_100016084084_100000033671 [0,1,1,0,0,0|1,0,0]=3 1262 B13R0.216 CCOC(CCOC[C@@H](C)N)OCC 34a_100000737577_100000033671 [0,1,1,0,0,0|1,0,0]=3 1263 B13R0.216 CCOC(CCOC[C@@H](C)O)OCC 34a_100011218310_100009817552 [0,1,1,0,0,0|1,0,0]=3 1264 B13R0.216 CCOC(CCOC[C@@H](C)O)OCC 7a_100011218310_100009817552 [0,1,1,0,0,0|1,0,0]=3 1265 B13R0.216 CCOC(CCSCC(C)C)OCC 62a_100000033671_100000210760 [0,1,1,0,0,0|1,0,0]=3 1266 B13R0.216 CCOC(CCSCC(C)C)OCC 62a_100000210624_100000033671 [0,1,1,0,0,0|1,0,0]=3 1267 B13R0.216 CCOC(CCSCC(C)O)OCC 62a_100000033671_100011218427 [0,1,1,0,0,0|1,0,0]=3 1268 B13R0.216 CCOC(CCSCC(C)O)OCC 62a_100011218427_100000033671 [0,1,1,0,0,0|1,0,0]=3 1269 B13R0.216 CCOC(CCSCC(F)F)OCC 62a_100000033671_100011934356 [0,1,1,0,0,0|2,0,0]=4 1270 B13R0.216 CCOC(CCSCC(F)F)OCC 62a_100011934356_100000033671 [0,1,1,0,0,0|2,0,0]=4 1271 B13R0.216 CCOC(CCSC[C@@H](C)O)OCC 62a_100000033671_100009817552 [0,1,1,0,0,0|1,0,0]=3 1272 B13R0.216 CCOC(CCSC[C@@H](C)O)OCC 62a_100009817552_100000033671 [0,1,1,0,0,0|1,0,0]=3 1273 B13R0.216 CCOC(CNCCC(C)C)OCC 34a_100000211098_100000210312 [0,1,1,0,0,0|1,0,0]=3 1274 B13R0.216 CCOC(CNCCC(C)O)OCC 2230a_200000755665_100000210512 [0,1,1,0,0,0|1,0,0]=3 1275 B13R0.216 CCOC(CNCCC(C)O)OCC 34a_100000211098_100012276601 [0,1,1,0,0,0|1,0,0]=3 1276 B13R0.216 CCOC(CNCOC(C)C)OCC 34a_100000211098_100000709892 [0,1,1,0,0,0|2,0,0]=4 1277 B13R0.216 CCOC(COCCC(=O)C)OCC 34a_100000759926_100000210512 [0,1,1,0,0,0|1,0,1]=4 1278 B13R0.216 CCOC(COCCC(=O)C)OCC 7a_100000759926_100000210512 [0,1,1,0,0,0|1,0,1]=4 1279 B13R0.216 CCOC(COCCC(=O)C)OCC 7a_100011216334_100000053229 [0,1,1,0,0,0|1,0,1]=4 1280 B13R0.216 CCOC(COCCC(C)Br)OCC 34a_100009893172_100000210512 [0,1,1,0,0,0|1,0,0]=3 1281 B13R0.216 CCOC(COCCC(C)C)OCC 34a_100000210254_100000210512 [0,1,1,0,0,0|1,0,0]=3 1282 B13R0.216 CCOC(COCCC(C)C)OCC 34a_100011216334_100000210312 [0,1,1,0,0,0|1,0,0]=3 1283 B13R0.216 CCOC(COCCC(C)C)OCC 7a_100000210254_100000210512 [0,1,1,0,0,0|1,0,0]=3 1284 B13R0.216 CCOC(COCCC(C)C)OCC 7a_100011216334_100000210626 [0,1,1,0,0,0|1,0,0]=3 1285 B13R0.216 CCOC(COCCC(C)O)OCC 34a_100011216334_100012276601 [0,1,1,0,0,0|1,0,0]=3 1286 B13R0.216 CCOC(COCCC(C)O)OCC 7a_100011216334_100012276601 [0,1,1,0,0,0|1,0,0]=3 1287 B13R0.216 CCOC(COCCC(F)F)OCC 34a_100103093639_100000210512 [0,1,1,0,0,0|2,0,0]=4 1288 B13R0.216 CCOC(COCCN(C)C)OCC 7a_100011216334_100000755713 [0,1,1,0,0,0|2,0,0]=4 1289 B13R0.216 CCOC(COCC[C@@H](C)N)OCC 34a_100000706166_100000210512 [0,1,1,0,0,0|1,0,0]=3 1290 B13R0.216 CCOC(COCOC(C)C)OCC 34a_100011216334_100000709892 [0,1,1,0,0,0|2,0,0]=4 1291 B13R0.216 CCOC(CSCCC(=O)C)OCC 62a_100000053229_100000210512 [0,1,1,0,0,0|1,0,1]=4 1292 B13R0.216 CCOC(CSCCC(=O)C)OCC 62a_100000210512_100000053229 [0,1,1,0,0,0|1,0,1]=4 1293 B13R0.216 CCOC(CSCCC(C)C)OCC 62a_100000210312_100000210512 [0,1,1,0,0,0|1,0,0]=3 1294 B13R0.216 CCOC(CSCCC(C)C)OCC 62a_100000210512_100000210312 [0,1,1,0,0,0|1,0,0]=3 1295 B13R0.216 CCOC(CSCCC(C)O)OCC 62a_100000210512_100012276601 [0,1,1,0,0,0|1,0,0]=3 1296 B13R0.216 CCOC(CSCCC(C)O)OCC 62a_100012276601_100000210512 [0,1,1,0,0,0|1,0,0]=3 1297 B13R0.216 CCOC(CSCCN(C)C)OCC 62a_100000210512_100000755713 [0,1,1,0,0,0|2,0,0]=4 1298 B13R0.216 CCOC(CSCOC(C)C)OCC 62a_100000210512_100000709892 [0,1,1,0,0,0|2,0,0]=4 1299 B13R0.216 CCOC(CSCOC(C)C)OCC 62a_100000709892_100000210512 [0,1,1,0,0,0|2,0,0]=4 1300 B13R0.222 CCOC(CCCC(=O)CC)OCC 1458a_100000210414_100000034166 [0,1,1,0,0,0|0,0,1]=3 1301 B13R0.222 CCOC(CCCC(=O)CO)OCC 1458a_100000210174_100000034166 [0,1,1,0,0,0|1,0,1]=4 1302 B13R0.222 CCOC(CCCN(C)CC)OCC 2230a_100000225621_100000034166 [0,1,1,0,0,0|1,0,0]=3 1303 B13R0.222 CCOC(CCCN(C)CC)OCC 269982a_100000225621_100000034166 [0,1,1,0,0,0|1,0,0]=3 1304 B13R0.222 CCOC(CCNC(=O)CC)OCC 11a_100000748396_100000210414 [0,1,1,0,0,0|1,0,1]=4 1305 B13R0.222 CCOC(CCNC(=O)CC)OCC 1626a_100000748396_100000210414 [0,1,1,0,0,0|1,0,1]=4 1306 B13R0.222 CCOC(CCNC(=O)CC)OCC 240690a_100000748396_100000210414 [0,1,1,0,0,0|1,0,1]=4 1307 B13R0.222 CCOC(CCNC(=O)CC)OCC 527a_100000748396_100000210414 [0,1,1,0,0,0|1,0,1]=4 1308 B13R0.222 CCOC(CCNC(C)CC)OCC 2230a_100000209981_100000033671 [0,1,1,0,0,0|1,0,0]=3 1309 B13R0.222 CCOC(CCNC(C)CC)OCC 34a_100000748396_100011215416 [0,1,1,0,0,0|1,0,0]=3 1310 B13R0.222 CCOC(CCNC(C)CO)OCC 34a_100000748396_100012180447 [0,1,1,0,0,0|2,0,0]=4 1311 B13R0.222 CCOC(CCN[C@H](C)CO)OCC 2230a_100000737577_100000033671 [0,1,1,0,0,0|2,0,0]=4 1312 B13R0.222 CCOC(CCOC(C)CC)OCC 34a_100011218310_100011215416 [0,1,1,0,0,0|1,0,0]=3 1313 B13R0.222 CCOC(CCOC(C)CC)OCC 7a_100000210228_100000033671 [0,1,1,0,0,0|1,0,0]=3 1314 B13R0.222 CCOC(CCOC(C)CC)OCC 7a_100011218310_100000758301 [0,1,1,0,0,0|1,0,0]=3 1315 B13R0.222 CCOC(CCOC(C)CF)OCC 34a_100016041109_100000033671 [0,1,1,0,0,0|2,0,0]=4 1316 B13R0.222 CCOC(CCOC(C)CF)OCC 7a_100016041109_100000033671 [0,1,1,0,0,0|2,0,0]=4 1317 B13R0.222 CCOC(CCOC(C)CN)OCC 34a_100000210904_100000033671 [0,1,1,0,0,0|2,0,0]=4 1318 B13R0.222 CCOC(CCOC(C)CO)OCC 34a_100011218310_100012180447 [0,1,1,0,0,0|2,0,0]=4 1319 B13R0.222 CCOC(CCOC(C)CO)OCC 7a_100011218310_100012180447 [0,1,1,0,0,0|2,0,0]=4 1320 B13R0.222 CCOC(CCSC(C)CC)OCC 62a_100000033671_100000758301 [0,1,1,0,0,0|1,0,0]=3 1321 B13R0.222 CCOC(CCSC(C)CC)OCC 62a_100000758301_100000033671 [0,1,1,0,0,0|1,0,0]=3 1322 B13R0.222 CCOC(CCSC(C)CO)OCC 62a_100012180447_100000033671 [0,1,1,0,0,0|2,0,0]=4 1323 B13R0.222 CCOC(CCSC(C)OC)OCC 62a_100000033671_100009879195 [0,1,1,0,0,0|2,0,0]=4 1324 B13R0.222 CCOC(CCSC(C)OC)OCC 62a_100009879195_100000033671 [0,1,1,0,0,0|2,0,0]=4 1325 B13R0.222 CCOC(CCS[C@H](C)CO)OCC 62a_100000033671_100016084084 [0,1,1,0,0,0|2,0,0]=4 1326 B13R0.222 CCOC(CCS[C@H](C)CO)OCC 62a_100016084084_100000033671 [0,1,1,0,0,0|2,0,0]=4 1327 B13R0.222 CCOC(CNCC(C)CC)OCC 2230a_100020588543_100000210512 [0,1,1,0,0,0|1,0,0]=3 1328 B13R0.222 CCOC(CNCC(C)CC)OCC 270004a_100000211098_100000243153 [0,1,1,0,0,0|1,0,0]=3 1329 B13R0.222 CCOC(CNCC(C)CC)OCC 34a_100000211098_100000748023 [0,1,1,0,0,0|1,0,0]=3 1330 B13R0.222 CCOC(CNCC(C)CO)OCC 34a_100000744482_100000210512 [0,1,1,0,0,0|2,0,0]=4 1331 B13R0.222 CCOC(CNCC(O)CC)OCC 2230a_100011218483_100000210512 [0,1,1,0,0,0|1,0,0]=3 1332 B13R0.222 CCOC(CNCC(O)CC)OCC 34a_100000211098_100011218378 [0,1,1,0,0,0|1,0,0]=3 1333 B13R0.222 CCOC(CNCC(O)CO)OCC 34a_100000211098_100011219619 [0,1,1,0,0,0|2,0,0]=4 1334 B13R0.222 CCOC(CNC[C@@H](C)CC)OCC 34a_100000211098_100009816398 [0,1,1,0,0,0|1,0,0]=3 1335 B13R0.222 CCOC(CNC[C@@H](C)CO)OCC 34a_100000211098_100000059175 [0,1,1,0,0,0|2,0,0]=4 1336 B13R0.222 CCOC(CNC[C@@H](C)OC)OCC 2230a_100020591295_100000210512 [0,1,1,0,0,0|2,0,0]=4 1337 B13R0.222 CCOC(CNC[C@@H](F)CO)OCC 34a_100015665980_100000210512 [0,1,1,0,0,0|2,0,0]=4 1338 B13R0.222 CCOC(CNC[C@@H](O)CF)OCC 34a_100000211098_100015614560 [0,1,1,0,0,0|2,0,0]=4 1339 B13R0.222 CCOC(CNC[C@@H](O)CO)OCC 34a_100000211098_100009815848 [0,1,1,0,0,0|2,0,0]=4 1340 B13R0.222 CCOC(CNC[C@H](O)CO)OCC 2230a_100020644852_100000210512 [0,1,1,0,0,0|2,0,0]=4 1341 B13R0.222 CCOC(COCC(=O)CC)OCC 34a_100000725409_100000210512 [0,1,1,0,0,0|1,0,1]=4 1342 B13R0.222 CCOC(COCC(=O)CC)OCC 7a_100011216334_100000747405 [0,1,1,0,0,0|1,0,1]=4 1343 B13R0.222 CCOC(COCC(C)CC)OCC 34a_100011216334_100000748023 [0,1,1,0,0,0|1,0,0]=3 1344 B13R0.222 CCOC(COCC(C)CC)OCC 7a_100011216334_100000748023 [0,1,1,0,0,0|1,0,0]=3 1345 B13R0.222 CCOC(COCC(C)CN)OCC 34a_100000744482_100000210512 [0,1,1,0,0,0|2,0,0]=4 1346 B13R0.222 CCOC(COCC(C)OC)OCC 34a_100000690652_100000210512 [0,1,1,0,0,0|2,0,0]=4 1347 B13R0.222 CCOC(COCC(Cl)CCl)OCC 34a_100000033668_100000210512 [0,1,1,0,0,0|2,0,0]=4 1348 B13R0.222 CCOC(COCC(O)CC)OCC 34a_100011216334_100011218378 [0,1,1,0,0,0|1,0,0]=3 1349 B13R0.222 CCOC(COCC(O)CC)OCC 7a_100011216334_100011218378 [0,1,1,0,0,0|1,0,0]=3 1350 B13R0.222 CCOC(COCC(O)CO)OCC 34a_100011216334_100011219619 [0,1,1,0,0,0|2,0,0]=4 1351 B13R0.222 CCOC(COCC(O)CO)OCC 7a_100011216334_100011219619 [0,1,1,0,0,0|2,0,0]=4 1352 B13R0.222 CCOC(COC[C@@H](C)CC)OCC 34a_100011216334_100009816398 [0,1,1,0,0,0|1,0,0]=3 1353 B13R0.222 CCOC(COC[C@@H](C)CC)OCC 7a_100009816381_100000210512 [0,1,1,0,0,0|1,0,0]=3 1354 B13R0.222 CCOC(COC[C@@H](C)CC)OCC 7a_100011216334_100009816398 [0,1,1,0,0,0|1,0,0]=3 1355 B13R0.222 CCOC(COC[C@@H](C)CO)OCC 34a_100011216334_100000059175 [0,1,1,0,0,0|2,0,0]=4 1356 B13R0.222 CCOC(COC[C@@H](C)CO)OCC 7a_100011216334_100000059175 [0,1,1,0,0,0|2,0,0]=4 1357 B13R0.222 CCOC(COC[C@@H](O)CF)OCC 34a_100011216334_100015614560 [0,1,1,0,0,0|2,0,0]=4 1358 B13R0.222 CCOC(COC[C@@H](O)CF)OCC 7a_100011216334_100015614560 [0,1,1,0,0,0|2,0,0]=4 1359 B13R0.222 CCOC(COC[C@@H](O)CO)OCC 34a_100011216334_100009815848 [0,1,1,0,0,0|2,0,0]=4 1360 B13R0.222 CCOC(COC[C@@H](O)CO)OCC 7a_100011216334_100009815848 [0,1,1,0,0,0|2,0,0]=4 1361 B13R0.222 CCOC(COC[C@H](F)CN)OCC 34a_100015665980_100000210512 [0,1,1,0,0,0|2,0,0]=4 1362 B13R0.222 CCOC(CSCC(=O)CC)OCC 62a_100000210512_100000747405 [0,1,1,0,0,0|1,0,1]=4 1363 B13R0.222 CCOC(CSCC(=O)CC)OCC 62a_100000747405_100000210512 [0,1,1,0,0,0|1,0,1]=4 1364 B13R0.222 CCOC(CSCC(C)CC)OCC 62a_100000210512_100000748023 [0,1,1,0,0,0|1,0,0]=3 1365 B13R0.222 CCOC(CSCC(C)CC)OCC 62a_100000748023_100000210512 [0,1,1,0,0,0|1,0,0]=3 1366 B13R0.222 CCOC(CSCC(O)CC)OCC 62a_100000210512_100011218378 [0,1,1,0,0,0|1,0,0]=3 1367 B13R0.222 CCOC(CSCC(O)CC)OCC 62a_100011218378_100000210512 [0,1,1,0,0,0|1,0,0]=3 1368 B13R0.222 CCOC(CSCC(O)CO)OCC 62a_100000210512_100011219619 [0,1,1,0,0,0|2,0,0]=4 1369 B13R0.222 CCOC(CSCC(O)CO)OCC 62a_100011219619_100000210512 [0,1,1,0,0,0|2,0,0]=4 1370 B13R0.222 CCOC(CSC[C@@H](C)CC)OCC 62a_100000210512_100009816398 [0,1,1,0,0,0|1,0,0]=3 1371 B13R0.222 CCOC(CSC[C@@H](C)CC)OCC 62a_100009816398_100000210512 [0,1,1,0,0,0|1,0,0]=3 1372 B13R0.222 CCOC(CSC[C@@H](C)CO)OCC 62a_100000059175_100000210512 [0,1,1,0,0,0|2,0,0]=4 1373 B13R0.222 CCOC(CSC[C@@H](C)CO)OCC 62a_100000210512_100000059175 [0,1,1,0,0,0|2,0,0]=4 1374 B13R0.222 CCOC(CSC[C@@H](O)CF)OCC 62a_100000210512_100015614560 [0,1,1,0,0,0|2,0,0]=4 1375 B13R0.222 CCOC(CSC[C@@H](O)CF)OCC 62a_100015614560_100000210512 [0,1,1,0,0,0|2,0,0]=4 1376 B13R0.222 CCOC(CSC[C@@H](O)CO)OCC 62a_100000210512_100009815848 [0,1,1,0,0,0|2,0,0]=4 1377 B13R0.222 CCOC(CSC[C@@H](O)CO)OCC 62a_100009815848_100000210512 [0,1,1,0,0,0|2,0,0]=4 1378 B13R0.279 C#CCOC(CCC)CCCCCC 34a_200011215193_100000184674 [0,1,1,0,0,0|1,0,1]=4 1379 B13R0.279 C#CCOC(CCC)CCCCCC 7a_200011215193_100000038162 [0,1,1,0,0,0|1,0,1]=4 1380 B13R0.279 C=CCOC(CCC)CCCCCC 34a_200011215193_100015514636 [0,1,1,0,0,0|1,0,1]=4 1381 B13R0.279 C=CCOC(CCC)CCCCCC 7a_200011215193_100015514636 [0,1,1,0,0,0|1,0,1]=4 1382 B13R0.279 CCCCCCC(CCC)NCCC 270004a_100020643023_200011215359 [0,1,1,0,0,0|2,0,0]=4 1383 B13R0.279 CCCCCCC(CCC)NCCO 270004a_100000210304_200011215359 [0,1,1,0,0,0|2,0,0]=4 1384 B13R0.279 CCCCCCC(CCC)OCC#N 7a_200011215193_100011215382 [0,1,1,0,0,0|1,0,1]=4 1385 B13R0.279 CCCCCCC(CCC)OCC=O 34a_200011215193_200009817547 [0,1,1,0,0,0|1,0,1]=4 1386 B13R0.279 CCCCCCC(CCC)OCC=O 7a_200011215193_200015260668 [0,1,1,0,0,0|1,0,1]=4 1387 B13R0.279 CCCCCCC(CCC)OCCC 34a_200011215193_100000210303 [0,1,1,0,0,0|1,0,0]=3 1388 B13R0.279 CCCCCCC(CCC)OCCC 7a_200011215193_100000210303 [0,1,1,0,0,0|1,0,0]=3 1389 B13R0.279 CCCCCCC(CCC)OCCF 34a_200011215193_100011217306 [0,1,1,0,0,0|1,0,0]=3 1390 B13R0.279 CCCCCCC(CCC)OCCF 7a_200011215193_100011217306 [0,1,1,0,0,0|1,0,0]=3 1391 B13R0.279 CCCCCCC(CCC)OCCO 34a_200011215193_100000211926 [0,1,1,0,0,0|1,0,0]=3 1392 B13R0.279 CCCCCCC(CCC)OCCO 7a_200011215193_100000211926 [0,1,1,0,0,0|1,0,0]=3 1393 B13R0.279 CCCCCCC(CCC)OCSC 34a_200011215193_100011218213 [0,1,1,0,0,0|1,0,0]=3 1394 B13R0.279 CCCCCCC(CCCC)NCC 270004a_100015525214_200011215745 [0,1,1,0,0,0|2,0,0]=4 1395 B13R0.279 CCCCCCC(CCCC)OCC 34a_200011216055_100000210202 [0,1,1,0,0,0|1,0,0]=3 1396 B13R0.279 CCCCCCC(CCCC)OCC 7a_200011216055_100000210202 [0,1,1,0,0,0|1,0,0]=3 1397 B13R0.279 CCCCCCC(CCCC)OCF 34a_200011216055_100015361967 [0,1,1,0,0,0|2,0,0]=4 1398 B13R0.279 CCCCCCC(CCCC)OCF 7a_200011216055_100015361967 [0,1,1,0,0,0|2,0,0]=4 1399 B13R0.363 CCCC(=O)CCC(OCC)OCC 1458a_100000211992_100000033671 [0,1,1,0,0,0|0,0,1]=3 1400 B13R0.363 CCCC(=O)NCC(OCC)OCC 11a_100000211098_100000211992 [0,1,1,0,0,0|1,0,1]=4 1401 B13R0.363 CCCC(=O)NCC(OCC)OCC 1626a_100000211098_100000211992 [0,1,1,0,0,0|1,0,1]=4 1402 B13R0.363 CCCC(=O)NCC(OCC)OCC 240690a_100000211098_100000211992 [0,1,1,0,0,0|1,0,1]=4 1403 B13R0.363 CCCC(=O)NCC(OCC)OCC 527a_100000211098_100000211992 [0,1,1,0,0,0|1,0,1]=4 1404 B13R0.363 CCCC(C)NCC(OCC)OCC 2230a_100000741246_100000210512 [0,1,1,0,0,0|1,0,0]=3 1405 B13R0.363 CCCC(C)NCC(OCC)OCC 270004a_100000211098_100000211909 [0,1,1,0,0,0|1,0,0]=3 1406 B13R0.363 CCCC(C)NCC(OCC)OCC 34a_100000211098_100000766640 [0,1,1,0,0,0|1,0,0]=3 1407 B13R0.363 CCCC(C)OCC(OCC)OCC 34a_100000764384_100000210512 [0,1,1,0,0,0|1,0,0]=3 1408 B13R0.363 CCCC(C)OCC(OCC)OCC 34a_100011216334_100000766640 [0,1,1,0,0,0|1,0,0]=3 1409 B13R0.363 CCCC(C)OCC(OCC)OCC 7a_100000764384_100000210512 [0,1,1,0,0,0|1,0,0]=3 1410 B13R0.363 CCCC(C)OCC(OCC)OCC 7a_100011216334_100000766640 [0,1,1,0,0,0|1,0,0]=3 1411 B13R0.363 CCCC(C)SCC(OCC)OCC 62a_100000210512_100000766640 [0,1,1,0,0,0|1,0,0]=3 1412 B13R0.363 CCCC(C)SCC(OCC)OCC 62a_100000766640_100000210512 [0,1,1,0,0,0|1,0,0]=3 1413 B13R0.363 CCCN(C)CCC(OCC)OCC 2230a_100000747261_100000033671 [0,1,1,0,0,0|1,0,0]=3 1414 B13R0.363 CCCN(C)CCC(OCC)OCC 269982a_100000747261_100000033671 [0,1,1,0,0,0|1,0,0]=3 1415 B13R0.363 CCOC(CCC(=O)CCO)OCC 1458a_100011216618_100000033671 [0,1,1,0,0,0|1,0,1]=4 1416 B13R0.363 CCOC(CCC(=O)COC)OCC 1458a_100000210968_100000033671 [0,1,1,0,0,0|1,0,1]=4 1417 B13R0.363 CCOC(CCC(=O)CSC)OCC 1458a_100000184570_100000033671 [0,1,1,0,0,0|1,0,1]=4 1418 B13R0.363 CCOC(CCN(C)CCO)OCC 2230a_100000210263_100000033671 [0,1,1,0,0,0|2,0,0]=4 1419 B13R0.363 CCOC(CCN(C)CCO)OCC 269982a_100000210263_100000033671 [0,1,1,0,0,0|2,0,0]=4 1420 B13R0.363 CCOC(CNC(C)CCO)OCC 34a_100000211098_100009893172 [0,1,1,0,0,0|2,0,0]=4 1421 B13R0.363 CCOC(CNC(C)COC)OCC 270004a_100000211098_100000749346 [0,1,1,0,0,0|2,0,0]=4 1422 B13R0.363 CCOC(CNC(C)COC)OCC 34a_100000211098_100000765312 [0,1,1,0,0,0|2,0,0]=4 1423 B13R0.363 CCOC(CNC(C)CSC)OCC 270004a_100000211098_100011216314 [0,1,1,0,0,0|2,0,0]=4 1424 B13R0.363 CCOC(CN[C@H](C)CCO)OCC 2230a_100000706166_100000210512 [0,1,1,0,0,0|2,0,0]=4 1425 B13R0.363 CCOC(CN[C@H](C)CCO)OCC 34a_100000706166_100000210512 [0,1,1,0,0,0|2,0,0]=4 1426 B13R0.363 CCOC(CN[C@H](C)COC)OCC 2230a_100000764878_100000210512 [0,1,1,0,0,0|2,0,0]=4 1427 B13R0.363 CCOC(COC(C)CCBr)OCC 34a_100012276601_100000210512 [0,1,1,0,0,0|2,0,0]=4 1428 B13R0.363 CCOC(COC(C)CCO)OCC 34a_100011216334_100009893172 [0,1,1,0,0,0|2,0,0]=4 1429 B13R0.363 CCOC(COC(C)CCO)OCC 7a_100011216334_100009893172 [0,1,1,0,0,0|2,0,0]=4 1430 B13R0.363 CCOC(COC(C)COC)OCC 34a_100011216334_100000765312 [0,1,1,0,0,0|2,0,0]=4 1431 B13R0.363 CCOC(COC(C)COC)OCC 7a_100011216334_100000765312 [0,1,1,0,0,0|2,0,0]=4 1432 B13R0.363 CCOC(CO[C@H](C)COC)OCC 34a_100011934205_100000210512 [0,1,1,0,0,0|2,0,0]=4 1433 B13R0.363 CCOC(CSC(C)CCO)OCC 62a_100000210512_100009893172 [0,1,1,0,0,0|2,0,0]=4 1434 B13R0.363 CCOC(CSC(C)CCO)OCC 62a_100009893172_100000210512 [0,1,1,0,0,0|2,0,0]=4 1435 B13R0.363 CCOC(CSC(C)COC)OCC 62a_100000210512_100000765312 [0,1,1,0,0,0|2,0,0]=4 1436 B13R0.363 CCOC(CSC(C)COC)OCC 62a_100000765312_100000210512 [0,1,1,0,0,0|2,0,0]=4 1437 B13R0.1169 CCCCNCP(=O)(OCC)OCC 2230a_100000102301_100010393119 [0,1,1,0,0,0|2,0,0]=4 1438 B13R0.1169 CCCCOCP(=O)(OCC)OCC 34a_100000033165_100000210210 [0,1,1,0,0,0|2,0,0]=4 1439 B13R0.1169 CCCCOCP(=O)(OCC)OCC 34a_100000210227_100010393119 [0,1,1,0,0,0|2,0,0]=4 1440 B13R0.1169 CCCCOC[Si](C)(OCC)OCC 34a_100000210227_100000061259 [0,1,1,0,0,0|1,1,0]=4 1441 B13R0.1169 CCCCSCP(=O)(OCC)OCC 62a_100000210211_100010393119 [0,1,1,0,0,0|2,0,0]=4 1442 B13R0.1169 CCCCSCP(=O)(OCC)OCC 62a_100010393119_100000210210 [0,1,1,0,0,0|2,0,0]=4 1443 B13R0.1169 CCCCSC[Si](C)(OCC)OCC 62a_100000061259_100000210210 [0,1,1,0,0,0|1,1,0]=4 1444 B13R0.1169 CCCCSC[Si](C)(OCC)OCC 62a_100000210211_100000061259 [0,1,1,0,0,0|1,1,0]=4 1445 B13R0.1169 CCCOCCP(=O)(OCC)OCC 34a_100000210258_100000766911 [0,1,1,0,0,0|2,0,0]=4 1446 B13R0.1169 CCCSCCP(=O)(OCC)OCC 62a_100000210303_100000766911 [0,1,1,0,0,0|2,0,0]=4 1447 B13R0.1169 CCCSCCP(=O)(OCC)OCC 62a_100000766911_100000210303 [0,1,1,0,0,0|2,0,0]=4 1448 B13R0.1169 CCNCCCP(=O)(OCC)OCC 2230a_100015525214_100009827982 [0,1,1,0,0,0|2,0,0]=4 1449 B13R0.1169 CCOCCCP(=O)(OCC)OCC 34a_100121572206_100009827982 [0,1,1,0,0,0|2,0,0]=4 1450 B13R0.1169 CCOCCC[Si](C)(OCC)OCC 34a_100121572206_100010162046 [0,1,1,0,0,0|1,1,0]=4 1451 B13R0.1169 CCOP(=O)(CCCSCC)OCC 62a_100000210202_100009827982 [0,1,1,0,0,0|2,0,0]=4 1452 B13R0.1169 CCOP(=O)(CCCSCC)OCC 62a_100009827982_100000210202 [0,1,1,0,0,0|2,0,0]=4 1453 B13R0.1169 CCO[Si](C)(CCCSCC)OCC 62a_100000210202_100010162046 [0,1,1,0,0,0|1,1,0]=4 1454 B13R0.1169 CCO[Si](C)(CCCSCC)OCC 62a_100010162046_100000210202 [0,1,1,0,0,0|1,1,0]=4 1455 B13R0.57 CC(NCCCCCCO)C(C)(C)O 269862a_100000686447_100000747739 [0,1,1,0,0,0|2,0,0]=4 1456 B13R0.57 CCCCCCCNC(C)C(C)(C)O 269862a_100000229938_100000747739 [0,1,1,0,0,0|1,0,0]=3 1457 B13R0.57 CCCCCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210681 [0,1,1,0,0,0|1,0,0]=3 1458 B13R0.57 CCCCCCCN[C@H](C)C(C)(C)C 2230a_100025703359_100000210681 [0,1,1,0,0,0|2,0,0]=4 1459 B13R0.57 CCCCCCCOC(C)C(F)(F)F 34a_100000765112_100000210614 [0,1,1,0,0,0|2,0,0]=4 1460 B13R0.57 CCCCOCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000743108 [0,1,1,0,0,0|2,0,0]=4 1461 B13R0.57 CCCCSCCNC(C)C(C)(C)O 269862a_100025743550_100000747739 [0,1,1,0,0,0|2,0,0]=4 1462 B13R0.57 CCCOCCCNC(C)C(C)(C)O 269862a_100011217757_100000747739 [0,1,1,0,0,0|2,0,0]=4 1463 B13R0.57 COCCCCCNC(C)C(C)(C)O 269862a_100000747528_100000747739 [0,1,1,0,0,0|2,0,0]=4 1464 B13R0.57 C[C@H](NCCCCCCF)C(C)(C)O 2230a_100025708725_100015922095 [0,1,1,0,0,0|2,0,0]=4 1465 B13R0.57 C[C@H](NCCCCCCO)C(C)(C)O 2230a_100025708725_100000766143 [0,1,1,0,0,0|2,0,0]=4 1466 B13R0.61 C#CC(OCCCCCCC)C(C)C 34a_100011217124_100000210614 [0,1,1,0,0,0|1,0,1]=4 1467 B13R0.61 C#CC(OCCCCCCC)C(C)C 7a_100011217124_100000210614 [0,1,1,0,0,0|1,0,1]=4 1468 B13R0.61 C=CC(OCCCCCCC)C(C)C 34a_100000732651_100000210614 [0,1,1,0,0,0|1,0,1]=4 1469 B13R0.61 C=CC(OCCCCCCC)C(C)C 7a_100000732651_100000210614 [0,1,1,0,0,0|1,0,1]=4 1470 B13R0.61 CC(C)C(CN)OCCCCCCF 34a_100000759067_100015922095 [0,1,1,0,0,0|2,0,0]=4 1471 B13R0.61 CC(C)C(CN)OCCCCCCO 34a_100000759067_100000766143 [0,1,1,0,0,0|2,0,0]=4 1472 B13R0.61 CCC(OCCCCCCF)C(C)C 34a_100011218073_100015922095 [0,1,1,0,0,0|2,0,0]=4 1473 B13R0.61 CCC(OCCCCCCF)C(C)C 7a_100011218073_100015922095 [0,1,1,0,0,0|2,0,0]=4 1474 B13R0.61 CCC(OCCCCCCO)C(C)C 34a_100011218073_100000766143 [0,1,1,0,0,0|2,0,0]=4 1475 B13R0.61 CCC(OCCCCCCO)C(C)C 7a_100011218073_100000766143 [0,1,1,0,0,0|2,0,0]=4 1476 B13R0.61 CCCCCCCNC(CC)C(C)C 270004a_100000229938_100000210600 [0,1,1,0,0,0|2,0,0]=4 1477 B13R0.61 CCCCCCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210681 [0,1,1,0,0,0|1,0,0]=3 1478 B13R0.61 CCCCCCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210614 [0,1,1,0,0,0|1,0,0]=3 1479 B13R0.61 CCCCCCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210681 [0,1,1,0,0,0|2,0,0]=4 1480 B13R0.61 CCCCCCCN[C@@H](CO)C(C)C 34a_100011830312_100000210614 [0,1,1,0,0,0|2,0,0]=4 1481 B13R0.61 CCCCCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210681 [0,1,1,0,0,0|1,0,0]=3 1482 B13R0.61 CCCCCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210614 [0,1,1,0,0,0|1,0,0]=3 1483 B13R0.61 CCCCCCCOC(C#N)C(C)C 34a_100000748901_100000210614 [0,1,1,0,0,0|1,0,1]=4 1484 B13R0.61 CCCCCCCOC(C#N)C(C)C 7a_100000748901_100000210614 [0,1,1,0,0,0|1,0,1]=4 1485 B13R0.61 CCCCCCCOC(CC)C(C)C 34a_100011218073_100000210614 [0,1,1,0,0,0|1,0,0]=3 1486 B13R0.61 CCCCCCCOC(CC)C(C)C 7a_100011218073_100000210614 [0,1,1,0,0,0|1,0,0]=3 1487 B13R0.61 CCCCCCCOC(CN)C(C)C 34a_100000759067_100000210614 [0,1,1,0,0,0|1,0,0]=3 1488 B13R0.61 CCCCOCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000743108 [0,1,1,0,0,0|2,0,0]=4 1489 B13R0.61 CCCCOCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000743108 [0,1,1,0,0,0|2,0,0]=4 1490 B13R0.61 CCCCOCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000743108 [0,1,1,0,0,0|2,0,0]=4 1491 B13R0.61 CCCCOCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000743108 [0,1,1,0,0,0|2,0,0]=4 1492 B13R0.61 CCCCOCCOC(CC)C(C)C 34a_100011218073_100000743108 [0,1,1,0,0,0|2,0,0]=4 1493 B13R0.61 CCCCOCCOC(CC)C(C)C 7a_100011218073_100000743108 [0,1,1,0,0,0|2,0,0]=4 1494 B13R0.61 CCCCOCCOC(CN)C(C)C 34a_100000759067_100000743108 [0,1,1,0,0,0|2,0,0]=4 1495 B13R0.61 CC[C@H](NCCCCCCF)[C@@H](C)O 2230a_100161114882_100015922095 [0,1,1,0,0,0|2,0,0]=4 1496 B13R0.61 CC[C@H](NCCCCCCF)[C@@H](C)O 34a_100161114882_100015922095 [0,1,1,0,0,0|2,0,0]=4 1497 B13R0.61 CC[C@H](NCCCCCCO)[C@@H](C)O 2230a_100161114882_100000766143 [0,1,1,0,0,0|2,0,0]=4 1498 B13R0.61 CC[C@H](NCCCCCCO)[C@@H](C)O 34a_100161114882_100000766143 [0,1,1,0,0,0|2,0,0]=4 1499 B13R0.61 C[C@@H](O)[C@@H](CO)NCCCCCCF 2230a_100015196842_100015922095 [0,1,1,0,0,0|2,0,0]=4 1500 B13R0.61 C[C@@H](O)[C@@H](CO)NCCCCCCF 34a_100015196842_100015922095 [0,1,1,0,0,0|2,0,0]=4 1501 B13R0.61 C[C@@H](O)[C@@H](CO)NCCCCCCO 2230a_100015196842_100000766143 [0,1,1,0,0,0|2,0,0]=4 1502 B13R0.61 C[C@@H](O)[C@@H](CO)NCCCCCCO 34a_100015196842_100000766143 [0,1,1,0,0,0|2,0,0]=4 1503 B13R0.91 CCCC(C)CCCOC(C)C(=O)C 7a_100011713154_100000179758 [0,1,1,0,0,0|0,0,2]=4 1504 B13R0.150 C#CCCCCCCOC(C)C(C)C 7a_100000748068_100012276617 [0,1,1,0,0,0|1,0,1]=4 1505 B13R0.150 C=CCCCCCCOC(C)C(C)C 7a_100000748068_100011215473 [0,1,1,0,0,0|1,0,1]=4 1506 B13R0.150 CC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000179758 [0,1,1,0,0,0|0,0,2]=4 1507 B13R0.150 CC(=O)C(C)OCCCCCCCO 34a_100000212229_100000760002 [0,1,1,0,0,0|0,0,2]=4 1508 B13R0.150 CC(C)C(C)NCCCCCCCO 2230a_100000211541_100000760002 [0,1,1,0,0,0|2,0,0]=4 1509 B13R0.150 CC(C)C(C)OCCCCCCC#N 7a_100000748068_100009813337 [0,1,1,0,0,0|1,0,1]=4 1510 B13R0.150 CC(C)C(C)OCCCCCCCO 7a_100000748068_100000760002 [0,1,1,0,0,0|1,0,0]=3 1511 B13R0.150 CCCCCC#CCOC(C)C(C)C 7a_100000748068_100009816472 [0,1,1,0,0,0|1,0,1]=4 1512 B13R0.150 CCCCCCCCNC(C)C(C)C 2230a_100000211541_100000210759 [0,1,1,0,0,0|2,0,0]=4 1513 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [0,1,1,0,0,0|0,0,2]=4 1514 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [0,1,1,0,0,0|0,0,2]=4 1515 B13R0.150 CCCCCCCCOC(C)C(C)C 7a_100000748068_100000210759 [0,1,1,0,0,0|1,0,0]=3 1516 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [0,1,1,0,0,0|0,0,2]=4 1517 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [0,1,1,0,0,0|0,0,2]=4 1518 B13R0.150 CCCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000210614 [0,1,1,0,0,0|2,0,0]=4 1519 B13R0.150 CCCCCOCCOC(C)C(=O)C 7a_100011215259_100000179758 [0,1,1,0,0,0|0,0,2]=4 1520 B13R0.150 CCCCOCCCOC(C)C(=O)C 7a_200011215613_100000179758 [0,1,1,0,0,0|0,0,2]=4 1521 B13R0.150 CCOCCOCCOC(C)C(C)C 7a_100000748068_100011211534 [0,1,1,0,0,0|2,0,0]=4 1522 B13R0.150 COCCCCCCNC(C)C(C)C 2230a_100000211541_100011998445 [0,1,1,0,0,0|2,0,0]=4 1523 B13R0.150 COCCCCCCOC(C)C(=O)C 34a_100000212229_100011998445 [0,1,1,0,0,0|0,0,2]=4 1524 B13R0.150 COCCCCCCOC(C)C(=O)C 7a_200012092642_100000179758 [0,1,1,0,0,0|0,0,2]=4 1525 B13R0.150 COCCCCCCOC(C)C(C)C 7a_100000748068_100011998445 [0,1,1,0,0,0|1,0,0]=3 1526 B13R0.150 COCCOCCCOC(C)C(C)C 7a_100000748068_100011216529 [0,1,1,0,0,0|2,0,0]=4 1527 B13R0.180 CC(=O)C(C)OCCCCCC(C)C 34a_100000212229_100000210682 [0,1,1,0,0,0|0,0,2]=4 1528 B13R0.180 CC(=O)C(C)OCCCCCC(C)C 7a_100011995859_100000179758 [0,1,1,0,0,0|0,0,2]=4 1529 B13R0.180 CC(C)CCCCCNC(C)C(C)C 2230a_100000211541_100000210682 [0,1,1,0,0,0|2,0,0]=4 1530 B13R0.180 CC(C)CCCCCOC(C)C(C)C 7a_100000748068_100000210682 [0,1,1,0,0,0|1,0,0]=3 1531 B13R0.337 CCCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210614 [0,1,1,0,0,0|2,0,0]=4 1532 B13R0.337 CCCCCCCN(C)C(C)C(C)C 2230a_100000228512_100000210681 [0,1,1,0,0,0|2,0,0]=4 1533 B13R0.337 CCCCCCCN(C)C(C)C(C)C 269982a_100000228512_100000210681 [0,1,1,0,0,0|2,0,0]=4 1534 B13R0.339 CCCCCC(=O)COC(C)C(C)C 7a_100000748068_200012276598 [0,1,1,0,0,0|1,0,1]=4 1535 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCC 34a_100015455354_100000210614 [0,1,1,0,0,0|1,0,0]=3 1536 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCC 7a_100015455354_100000210614 [0,1,1,0,0,0|1,0,0]=3 1537 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCF 34a_100015455354_100015922095 [0,1,1,0,0,0|2,0,0]=4 1538 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCF 7a_100015455354_100015922095 [0,1,1,0,0,0|2,0,0]=4 1539 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCO 34a_100015455354_100000766143 [0,1,1,0,0,0|2,0,0]=4 1540 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCO 7a_100015455354_100000766143 [0,1,1,0,0,0|2,0,0]=4 1541 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCOCCCC 34a_100015455354_100000743108 [0,1,1,0,0,0|2,0,0]=4 1542 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCOCCCC 7a_100015455354_100000743108 [0,1,1,0,0,0|2,0,0]=4 1543 B13R0.340 CCC(C)C(C)OCCCCCCF 7a_100011215189_100015922095 [0,1,1,0,0,0|2,0,0]=4 1544 B13R0.340 CCC(C)C(C)OCCCCCCO 7a_100011215189_100000766143 [0,1,1,0,0,0|2,0,0]=4 1545 B13R0.340 CCCCCCCCN(C)C(C)CO 2230a_100000207567_100012180447 [0,1,1,0,0,0|2,0,0]=4 1546 B13R0.340 CCCCCCCCN(C)C(C)CO 2230a_100000693034_100000210759 [0,1,1,0,0,0|2,0,0]=4 1547 B13R0.340 CCCCCCCCN(C)C(C)CO 269982a_100000693034_100000210759 [0,1,1,0,0,0|2,0,0]=4 1548 B13R0.340 CCCCCCCCN(C)C(C)OC 269982a_100000207567_100009879195 [0,1,1,0,0,0|2,0,0]=4 1549 B13R0.340 CCCCCCCCN(C)[C@H](C)CO 269982a_100000207567_100016084084 [0,1,1,0,0,0|2,0,0]=4 1550 B13R0.340 CCCCCCCNC(C)C(C)CC 269862a_100000229938_100000210599 [0,1,1,0,0,0|2,0,0]=4 1551 B13R0.340 CCCCCCCNC(C)C(C)CC 270004a_100000229938_100000210599 [0,1,1,0,0,0|2,0,0]=4 1552 B13R0.340 CCCCCCCOC(C)C(=O)CC 7a_100000210272_100000742827 [0,1,1,0,0,0|0,0,2]=4 1553 B13R0.340 CCCCCCCOC(C)C(=O)NC 34a_100000210272_100000731044 [0,1,1,0,0,0|0,0,2]=4 1554 B13R0.340 CCCCCCCOC(C)C(=O)NC 7a_100000210272_100000209862 [0,1,1,0,0,0|0,0,2]=4 1555 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100000210272_100000211248 [0,1,1,0,0,0|0,0,2]=4 1556 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210614 [0,1,1,0,0,0|0,0,2]=4 1557 B13R0.340 CCCCCCCOC(C)C(=O)OC 7a_100000210272_100000211248 [0,1,1,0,0,0|0,0,2]=4 1558 B13R0.340 CCCCCCCOC(C)C(C)CC 7a_100011215189_100000210614 [0,1,1,0,0,0|1,0,0]=3 1559 B13R0.340 CCCCOCCOC(C)C(C)CC 7a_100011215189_100000743108 [0,1,1,0,0,0|2,0,0]=4 1560 B13R0.413 CC(C)C(C)(C)OCCCCCCF 7a_100011215261_100015922095 [0,1,1,0,0,0|2,0,0]=4 1561 B13R0.413 CC(C)C(C)(C)OCCCCCCO 7a_100011215261_100000766143 [0,1,1,0,0,0|2,0,0]=4 1562 B13R0.413 CCCCCCCNC(C)(C)C(C)C 2230a_200160471154_100000210681 [0,1,1,0,0,0|2,0,0]=4 1563 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000210614 [0,1,1,0,0,0|0,0,2]=4 1564 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 7a_100000210272_100000075568 [0,1,1,0,0,0|0,0,2]=4 1565 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210614 [0,1,1,0,0,0|0,0,2]=4 1566 B13R0.413 CCCCCCCOC(C)(C)C(C)C 7a_100011215261_100000210614 [0,1,1,0,0,0|1,0,0]=3 1567 B13R0.413 CCCCOCCOC(C)(C)C(C)C 7a_100011215261_100000743108 [0,1,1,0,0,0|2,0,0]=4 1568 B13R1.27 CCCCCCNC1CCC(C1)C 270004a_100000210581_100011215218 [1,1,0,0,0,0|2,0,0]=4 1569 B13R1.27 CCCCCCOC1CCC(C1)C 34a_100000698185_100000210314 [1,1,0,0,0,0|2,0,0]=4 1570 B15R1.12032 CCCCCCNC1CCC(C(C1)C)C 270004a_100000210581_100000759390 [0,1,0,0,0,1|2,0,0]=4 1571 B15R1.12032 CCCCCCOC1CCC(C(C1)C)C 34a_100011215933_100000210314 [0,1,0,0,0,1|2,0,0]=4 1572 B15R1.12032 CCCCCCOC1CCC(C(C1)C)C 7a_100011215933_100000210314 [0,1,0,0,0,1|2,0,0]=4 1573 B15R1.1010 CCCCCCNC1CC(CC(C1)C)C 270004a_100000210581_100000753413 [0,1,0,0,0,1|2,0,0]=4 1574 B15R1.1010 CCCCCCNC1CC(OC(C1)C)C 270004a_100000210581_200102525066 [0,1,0,0,0,1|2,0,0]=4 1575 B15R1.1010 CCCCCCOC1CC(OC(C1)C)C 34a_200000691454_100000210314 [0,1,0,0,0,1|2,0,0]=4 1576 B15R1.1010 CCCCCCOC1CC(OC(C1)C)C 7a_200000691454_100000210314 [0,1,0,0,0,1|2,0,0]=4 1577 B15R1.6352 CC1(OB(OC1(C)C)CCCCS[13CH3])C 62a_200010392779_200025704644 [0,2,0,0,0,0|2,0,0]=4 1578 B15R1.6352 CC1(OB(OC1(C)C)CCCCS[13CH3])C 62a_200025704644_200010392779 [0,2,0,0,0,0|2,0,0]=4 1579 B15R1.6352 CCCCSCB1OC(C(O1)(C)C)(C)C 62a_100000210211_100009815730 [0,2,0,0,0,0|2,0,0]=4 1580 B15R1.6352 CCCCSCB1OC(C(O1)(C)C)(C)C 62a_100009815730_100000210210 [0,2,0,0,0,0|2,0,0]=4 1581 B15R1.6352 CCSCCCB1OC(C(O1)(C)C)(C)C 62a_100000210202_100009816118 [0,2,0,0,0,0|2,0,0]=4 1582 B15R1.6352 CCSCCCB1OC(C(O1)(C)C)(C)C 62a_100009816118_100000210202 [0,2,0,0,0,0|2,0,0]=4 1583 B15R1.6352 CSCCCCB1OC(C(O1)(C)C)(C)C 62a_200000210301_200010392779 [0,2,0,0,0,0|2,0,0]=4 1584 B15R1.6352 CSCCCCB1OC(C(O1)(C)C)(C)C 62a_200010392779_200000210301 [0,2,0,0,0,0|2,0,0]=4 1585 B13R1.11 CC(CO)OC(C)C1CCCCC1 34a_100011216961_100012180447 [0,0,1,1,0,0|2,0,0]=4 1586 B13R1.11 CC(CO)OC(C)C1CCCCC1 7a_100011216961_100012180447 [0,0,1,1,0,0|2,0,0]=4 1587 B13R1.11 CCC(C)NC(C)C1CCCCC1 269862a_100000209981_100000210989 [0,0,1,1,0,0|2,0,0]=4 1588 B13R1.11 CCC(C)N[C@H](C)C1CCCCC1 2230a_100025707633_100000758301 [0,0,1,1,0,0|2,0,0]=4 1589 B13R1.11 CCC(C)N[C@H](C)C1CCCCC1 34a_100025707633_100011215416 [0,0,1,1,0,0|2,0,0]=4 1590 B13R1.11 CCC(C)OC(C)C1CCCCC1 34a_100011216961_100011215416 [0,0,1,1,0,0|1,0,0]=3 1591 B13R1.11 CCC(C)OC(C)C1CCCCC1 7a_100011216961_100000758301 [0,0,1,1,0,0|1,0,0]=3 1592 B13R1.11 CCC(C)OC(C)C1CCCNC1 34a_100000740858_100011215416 [0,0,1,1,0,0|2,0,0]=4 1593 B13R1.11 CCC(C)OC(C)C1CCNCC1 34a_100011728446_100011215416 [0,0,1,1,0,0|2,0,0]=4 1594 B13R1.11 CCC(C)O[C@H](C)C1CCOCC1 34a_100000703848_100011215416 [0,0,1,1,0,0|2,0,0]=4 1595 B13R1.11 CCC(C)O[C@H](C)C1CCOCC1 7a_100000703848_100000758301 [0,0,1,1,0,0|2,0,0]=4 1596 B13R1.81 CCC(C)OC1CCCC(C1)CN 34a_100011254705_100011215416 [0,0,1,1,0,0|2,0,0]=4 1597 B13R1.81 CCC1CCCC(C1)NC(C)CC 270004a_100000209981_100000756783 [0,0,1,1,0,0|2,0,0]=4 1598 B13R1.81 CCC1CCCC(C1)OC(C)CC 7a_100011985506_100000758301 [0,0,1,1,0,0|1,0,0]=3 1599 B13R1.81 CCC1CCCC(C1)OC(C)CO 7a_100011985506_100012180447 [0,0,1,1,0,0|2,0,0]=4 1600 B13R1.360 CCCC1CCC(C1)NC(C)CC 270004a_100000209981_200012087856 [0,0,1,1,0,0|2,0,0]=4 1601 B13R1.439 CCC(C)O[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_100011215416 [0,0,1,1,0,0|2,0,0]=4 1602 B13R1.545 CCC(C)NC(C)CC1CCCC1 270004a_100000209981_100000692464 [0,0,1,1,0,0|2,0,0]=4 1603 B13R1.1870 CC(CO)OC1CCCCCCC1 34a_100000210054_100012180447 [0,0,1,1,0,0|2,0,0]=4 1604 B13R1.1870 CC(CO)OC1CCCCCCC1 7a_100000210054_100012180447 [0,0,1,1,0,0|2,0,0]=4 1605 B13R1.1870 CCC(C)NC1CCCCCCC1 2230a_100000211152_100000758301 [0,0,1,1,0,0|2,0,0]=4 1606 B13R1.1870 CCC(C)NC1CCCCCCC1 270004a_100000209981_100000210524 [0,0,1,1,0,0|2,0,0]=4 1607 B13R1.1870 CCC(C)NC1CCCCCCC1 34a_100000211152_100011215416 [0,0,1,1,0,0|2,0,0]=4 1608 B13R1.1870 CCC(C)OC1C=CCCCCC1 34a_100000688657_100011215416 [0,0,1,1,0,0|1,0,1]=4 1609 B13R1.1870 CCC(C)OC1CCCCCCC1 34a_100000210054_100011215416 [0,0,1,1,0,0|1,0,0]=3 1610 B13R1.1870 CCC(C)OC1CCCCCCC1 7a_100000210054_100000758301 [0,0,1,1,0,0|1,0,0]=3 1611 B13R1.2916 CCCCCCC(C)NC1CCC1 2230a_100000749019_100011215978 [0,0,1,1,0,0|2,0,0]=4 1612 B13R1.2916 CCCCCCC(C)NC1CCC1 270004a_100000210919_100000241760 [0,0,1,1,0,0|2,0,0]=4 1613 B13R1.2916 CCCCCCC(C)NC1CCC1 34a_100000210919_100000749161 [0,0,1,1,0,0|2,0,0]=4 1614 B13R1.2916 CCCCCCC(C)NC1CCC1 34a_100000749019_100011215978 [0,0,1,1,0,0|2,0,0]=4 1615 B13R1.2916 CCCCCCC(C)OC1CCC1 34a_100000210265_100000749161 [0,0,1,1,0,0|1,0,0]=3 1616 B13R1.2916 CCCCCCC(C)OC1CCC1 34a_100000748187_100011215978 [0,0,1,1,0,0|1,0,0]=3 1617 B13R1.2916 CCCCCCC(C)OC1COC1 34a_100000210265_100009818527 [0,0,1,1,0,0|2,0,0]=4 1618 B13R1.2916 CCCCCCC(C)OC1COC1 7a_100000210265_100009818527 [0,0,1,1,0,0|2,0,0]=4 1619 B13R1.2916 CCCCCCC(C)OC1CSC1 7a_100000072292_100011215978 [0,0,1,1,0,0|2,0,0]=4 1620 B13R1.2916 CCCCCCC(C)SC1CCC1 62a_100011215978_100000749161 [0,0,1,1,0,0|1,1,0]=4 1621 B13R1.2916 CCCCOCC(C)OC1CCC1 34a_100011217071_100000749161 [0,0,1,1,0,0|2,0,0]=4 1622 B13R1.2918 CCCCCCC(C)N1CCC1C 269982a_100000755817_100011215978 [0,0,1,1,0,0|2,0,0]=4 1623 B13R1.2918 CCCCCCC(C)N1CCC1C 34a_100000755817_100011215978 [0,0,1,1,0,0|2,0,0]=4 1624 B13R1.3108 CCCCCCC(C)NC1(CC1)C 2230a_100000757604_100011215978 [0,0,1,1,0,0|2,0,0]=4 1625 B13R1.3108 CCCCCCC(C)OC1(CC1)C 7a_100011725673_100011215978 [0,0,1,1,0,0|1,0,0]=3 1626 B13R1.4917 CC(CO)OC1(CCCCCC1)C 34a_100000708895_100012180447 [0,0,1,1,0,0|2,0,0]=4 1627 B13R1.4917 CC(CO)OC1(CCCCCC1)C 7a_100000708895_100012180447 [0,0,1,1,0,0|2,0,0]=4 1628 B13R1.4917 CCC(C)NC1(CCCCCC1)C 2230a_100000704638_100000758301 [0,0,1,1,0,0|2,0,0]=4 1629 B13R1.4917 CCC(C)NC1(CCCCCC1)C 34a_100000704638_100011215416 [0,0,1,1,0,0|2,0,0]=4 1630 B13R1.4917 CCC(C)OC1(CCCCCC1)C 34a_100000708895_100011215416 [0,0,1,1,0,0|1,0,0]=3 1631 B13R1.4917 CCC(C)OC1(CCCCCC1)C 7a_100000708895_100000758301 [0,0,1,1,0,0|1,0,0]=3 1632 B13R1.4917 CCC(C)OC1(CCCNCC1)C 34a_100000723723_100011215416 [0,0,1,1,0,0|2,0,0]=4 1633 B13R1.389 CCOC(CN1CCCC1)OCC 2230a_100000188435_100000210512 [0,0,1,1,0,0|1,0,0]=3 1634 B13R1.389 CCOC(CN1CCCC1)OCC 269982a_100000188435_100000733474 [0,0,1,1,0,0|1,0,0]=3 1635 B13R1.389 CCOC(CN1CCSC1)OCC 2230a_100011215254_100000210512 [0,0,1,1,0,0|2,0,0]=4 1636 B13R1.389 CCOC(CN1CCSC1)OCC 269982a_100011215254_100000733474 [0,0,1,1,0,0|2,0,0]=4 1637 B13R1.398 C/C=C/C(OCC)C1CCCCC1 34a_200016259495_100000210202 [0,0,1,1,0,0|1,0,1]=4 1638 B13R1.398 C/C=C/C(OCC)C1CCCCC1 7a_200016259495_100000210202 [0,0,1,1,0,0|1,0,1]=4 1639 B13R1.398 CCCC(OCC)C1CCCCC1 34a_100011218000_100000210202 [0,0,1,1,0,0|1,0,0]=3 1640 B13R1.398 CCCC(OCC)C1CCCCC1 7a_100011218000_100000210202 [0,0,1,1,0,0|1,0,0]=3 1641 B13R1.398 CCCC(OCF)C1CCCCC1 34a_100011218000_100015361967 [0,0,1,1,0,0|2,0,0]=4 1642 B13R1.398 CCCC(OCF)C1CCCCC1 7a_100011218000_100015361967 [0,0,1,1,0,0|2,0,0]=4 1643 B13R1.567 CCCCN1CCCC(C1)OCC 2230a_100000745229_100000210211 [0,0,1,1,0,0|2,0,0]=4 1644 B13R1.567 CCCCN1CCCC(C1)OCC 269982a_100000745229_100000210211 [0,0,1,1,0,0|2,0,0]=4 1645 B13R1.567 CCCCN1CCCC(C1)OCC 34a_100000745229_100000210210 [0,0,1,1,0,0|2,0,0]=4 1646 B13R1.671 CCCCCC1CCCC1NCC 269862a_100015525214_200000198059 [0,0,1,1,0,0|2,0,0]=4 1647 B13R1.671 CCCCCC1CCCC1NCC 270004a_100015525214_200000198059 [0,0,1,1,0,0|2,0,0]=4 1648 B13R1.1314 CCOC(CN[C@@H]1C[C@@H]1F)OCC 2230a_100015190264_100000210512 [0,0,1,1,0,0|2,0,0]=4 1649 B13R1.1314 CCOC(CN[C@@H]1C[C@H]1F)OCC 2230a_100025746932_100000210512 [0,0,1,1,0,0|2,0,0]=4 1650 B13R1.1314 CCOC(CN[C@@H]1C[C@H]1F)OCC 34a_100025746932_100000210512 [0,0,1,1,0,0|2,0,0]=4 1651 B13R1.1315 CCOC(CCN1CCC1)OCC 269982a_100000754969_100000033671 [0,0,1,1,0,0|1,0,0]=3 1652 B13R1.1315 CCOC(CNC1CCC1)OCC 2230a_100000749019_100000210512 [0,0,1,1,0,0|1,0,0]=3 1653 B13R1.1315 CCOC(CNC1CCC1)OCC 270004a_100000211098_100000241760 [0,0,1,1,0,0|1,0,0]=3 1654 B13R1.1315 CCOC(CNC1CCC1)OCC 34a_100000211098_100000749161 [0,0,1,1,0,0|1,0,0]=3 1655 B13R1.1315 CCOC(CNC1CCC1)OCC 34a_100000749019_100000210512 [0,0,1,1,0,0|1,0,0]=3 1656 B13R1.1315 CCOC(CNC1COC1)OCC 2230a_100016991112_100000210512 [0,0,1,1,0,0|2,0,0]=4 1657 B13R1.1315 CCOC(CNC1COC1)OCC 34a_100000211098_100009818527 [0,0,1,1,0,0|2,0,0]=4 1658 B13R1.1315 CCOC(COC1CCC1)OCC 34a_100000748187_100000210512 [0,0,1,1,0,0|1,0,0]=3 1659 B13R1.1315 CCOC(COC1CCC1)OCC 34a_100011216334_100000749161 [0,0,1,1,0,0|1,0,0]=3 1660 B13R1.1315 CCOC(COC1COC1)OCC 34a_100011216334_100009818527 [0,0,1,1,0,0|2,0,0]=4 1661 B13R1.1315 CCOC(COC1COC1)OCC 7a_100011216334_100009818527 [0,0,1,1,0,0|2,0,0]=4 1662 B13R1.1315 CCOC(COC1CSC1)OCC 7a_100000072292_100000210512 [0,0,1,1,0,0|2,0,0]=4 1663 B13R1.1315 CCOC(CSC1CCC1)OCC 62a_100000210512_100000749161 [0,0,1,1,0,0|1,0,0]=3 1664 B13R1.1315 CCOC(CSC1COC1)OCC 62a_100000210512_100009818527 [0,0,1,1,0,0|2,0,0]=4 1665 B13R1.1316 CCOC(CCNC1CC1)OCC 34a_100000212008_100000033671 [0,0,1,1,0,0|1,0,0]=3 1666 B13R1.1316 CCOC(CCNC1CC1)OCC 34a_100000748396_100000211595 [0,0,1,1,0,0|1,0,0]=3 1667 B13R1.1316 CCOC(CCOC1CC1)OCC 34a_100011218310_100000211595 [0,0,1,1,0,0|1,0,0]=3 1668 B13R1.1316 CCOC(CCSC1CC1)OCC 62a_100000033671_100000211595 [0,0,1,1,0,0|1,0,0]=3 1669 B13R1.1316 CCOC(CNCC1CC1)OCC 2230a_100000735609_100000210512 [0,0,1,1,0,0|1,0,0]=3 1670 B13R1.1316 CCOC(CNCC1CC1)OCC 34a_100000211098_100000742324 [0,0,1,1,0,0|1,0,0]=3 1671 B13R1.1316 CCOC(CNCC1CC1)OCC 34a_100000735609_100000210512 [0,0,1,1,0,0|1,0,0]=3 1672 B13R1.1316 CCOC(CNCC1CO1)OCC 34a_100000211098_102125554688 [0,0,1,1,0,0|2,0,0]=4 1673 B13R1.1316 CCOC(COCC1CC1)OCC 34a_100000211283_100000210512 [0,0,1,1,0,0|1,0,0]=3 1674 B13R1.1316 CCOC(COCC1CC1)OCC 34a_100011216334_100000742324 [0,0,1,1,0,0|1,0,0]=3 1675 B13R1.1316 CCOC(COCC1CC1)OCC 7a_100011216334_100000742324 [0,0,1,1,0,0|1,0,0]=3 1676 B13R1.1316 CCOC(COCC1CO1)OCC 34a_100011216334_102125554688 [0,0,1,1,0,0|2,0,0]=4 1677 B13R1.1316 CCOC(COCC1CO1)OCC 7a_100011216334_102125554688 [0,0,1,1,0,0|2,0,0]=4 1678 B13R1.1316 CCOC(COCC1CS1)OCC 7a_100011216334_100000031435 [0,0,1,1,0,0|2,0,0]=4 1679 B13R1.1316 CCOC(COC[C@@H]1CO1)OCC 34a_100000757423_100000210512 [0,0,1,1,0,0|2,0,0]=4 1680 B13R1.1316 CCOC(COC[C@@H]1CO1)OCC 7a_100011216334_100000745022 [0,0,1,1,0,0|2,0,0]=4 1681 B13R1.1316 CCOC(CSCC1CC1)OCC 62a_100000210512_100000742324 [0,0,1,1,0,0|1,0,0]=3 1682 B13R1.1316 CCOC(CSCC1CC1)OCC 62a_100000756562_100000210512 [0,0,1,1,0,0|1,0,0]=3 1683 B13R1.1316 CCOC(CSCC1CO1)OCC 62a_100000210512_102125554688 [0,0,1,1,0,0|2,0,0]=4 1684 B13R1.1316 CCOC(CSCC1CO1)OCC 62a_102125554688_100000210512 [0,0,1,1,0,0|2,0,0]=4 1685 B13R1.1316 CCOC(CSCC1CS1)OCC 62a_100000031435_100000210512 [0,0,1,1,0,0|2,0,0]=4 1686 B13R1.1316 CCOC(CSCC1CS1)OCC 62a_100000210512_100000031435 [0,0,1,1,0,0|2,0,0]=4 1687 B13R1.1316 CCOC(CSC[C@@H]1CO1)OCC 62a_100000210512_100000745022 [0,0,1,1,0,0|2,0,0]=4 1688 B13R1.1316 CCOC(CSC[C@@H]1CO1)OCC 62a_100000745022_100000210512 [0,0,1,1,0,0|2,0,0]=4 1689 B13R1.1317 CCOC(CN1CCC1C)OCC 269982a_100000755817_100000733474 [0,0,1,1,0,0|1,0,0]=3 1690 B13R1.1317 CCOC(CN1CCC1C)OCC 34a_100000755817_100000210512 [0,0,1,1,0,0|1,0,0]=3 1691 B13R1.202 CC(=O)C(C)OC1CCCCC1C 7a_100000211207_100000179758 [0,0,1,1,0,0|0,0,2]=4 1692 B13R1.202 CC(C)C(C)NC1CCCCC1C 269862a_100000211541_100000210921 [0,0,1,1,0,0|2,0,0]=4 1693 B13R1.202 CC(C)C(C)NC1CCCCC1C 270004a_100000211541_100000210921 [0,0,1,1,0,0|2,0,0]=4 1694 B13R1.351 CC(=O)C(C)OCC1CCCCC1 34a_100000212229_100000211423 [0,0,1,1,0,0|0,0,2]=4 1695 B13R1.351 CC(=O)C(C)OCC1CCCCC1 7a_100000212181_100000179758 [0,0,1,1,0,0|0,0,2]=4 1696 B13R1.351 CC(C)C(C)NCC1CCCCC1 2230a_100000211541_100000211423 [0,0,1,1,0,0|2,0,0]=4 1697 B13R1.351 CC(C)C(C)NCC1CCCCC1 269862a_100000211541_100000211278 [0,0,1,1,0,0|2,0,0]=4 1698 B13R1.351 CC(C)C(C)OCC1CCCCC1 7a_100000748068_100000211423 [0,0,1,1,0,0|1,0,0]=3 1699 B13R1.351 CC(C)C(C)OCC1CCCCO1 7a_100000748068_100000211543 [0,0,1,1,0,0|2,0,0]=4 1700 B13R1.351 CC(C)C(C)OCC1CCCOC1 7a_100000748068_100000741521 [0,0,1,1,0,0|2,0,0]=4 1701 B13R1.351 CC(C)C(C)OCC1CCOCC1 7a_100000748068_100000754603 [0,0,1,1,0,0|2,0,0]=4 1702 B13R1.568 CCCCN1CCCC(C1)C(C)O 2230a_100000740858_100000210211 [0,0,1,1,0,0|2,0,0]=4 1703 B13R1.568 CCCCN1CCCC(C1)C(C)O 269982a_100000740858_100000210211 [0,0,1,1,0,0|2,0,0]=4 1704 B13R1.568 CCCCN1CCCC(C1)C(C)O 34a_100000740858_100000210210 [0,0,1,1,0,0|2,0,0]=4 1705 B13R1.568 CCCCN1CCOC(C1)C(C)C 2230a_100000697742_100000210211 [0,0,1,1,0,0|2,0,0]=4 1706 B13R1.568 CCCCN1CCOC(C1)C(C)C 269982a_100000697742_100000210211 [0,0,1,1,0,0|2,0,0]=4 1707 B13R1.568 CCCCN1CCOC(C1)C(C)C 34a_100000697742_100000210210 [0,0,1,1,0,0|2,0,0]=4 1708 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,0,1,1,0,0|0,0,2]=4 1709 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,0,1,1,0,0|0,0,2]=4 1710 B13R1.669 CCCCCN1CCC(C(C1)O)C 2230a_100000696640_100000210326 [0,0,1,1,0,0|2,0,0]=4 1711 B13R1.669 CCCCCN1CCC(C(C1)O)C 269982a_100000696640_100000210215 [0,0,1,1,0,0|2,0,0]=4 1712 B13R1.1110 CC(=O)C(C)OCCC1CCCC1 34a_100000212229_100000760354 [0,0,1,1,0,0|0,0,2]=4 1713 B13R1.1110 CC(=O)C(C)OCCC1CCCC1 7a_100000749090_100000179758 [0,0,1,1,0,0|0,0,2]=4 1714 B13R1.1110 CC(C)C(C)NCCC1CCCC1 2230a_100000211541_100000760354 [0,0,1,1,0,0|2,0,0]=4 1715 B13R1.1110 CC(C)C(C)OCCC1CCCC1 7a_100000748068_100000760354 [0,0,1,1,0,0|1,0,0]=3 1716 B13R1.1110 CC(C)C(C)OCCN1CCCC1 7a_100000748068_100000004467 [0,0,1,1,0,0|2,0,0]=4 1717 B13R1.2801 CCC1CCCC1NC(C)C(C)C 269862a_100000211541_100000749056 [0,0,1,1,0,0|2,0,0]=4 1718 B13R1.2801 CCC1CCCC1NC(C)C(C)C 270004a_100000211541_100000749056 [0,0,1,1,0,0|2,0,0]=4 1719 B13R1.3151 CC(NCCCCCCO)C1CO1 270004a_100000686447_100000031964 [0,0,1,1,0,0|2,0,0]=4 1720 B13R1.3151 CC(OCCCCCCF)C1CC1 34a_100000744524_100015922095 [0,0,1,1,0,0|2,0,0]=4 1721 B13R1.3151 CC(OCCCCCCF)C1CC1 7a_100000744524_100015922095 [0,0,1,1,0,0|2,0,0]=4 1722 B13R1.3151 CC(OCCCCCCO)C1CC1 34a_100000744524_100000766143 [0,0,1,1,0,0|2,0,0]=4 1723 B13R1.3151 CC(OCCCCCCO)C1CC1 7a_100000744524_100000766143 [0,0,1,1,0,0|2,0,0]=4 1724 B13R1.3151 CCCCCCCNC(C)C1CC1 2230a_100000700016_100000210681 [0,0,1,1,0,0|2,0,0]=4 1725 B13R1.3151 CCCCCCCNC(C)C1CC1 269862a_100000229938_100000210639 [0,0,1,1,0,0|2,0,0]=4 1726 B13R1.3151 CCCCCCCNC(C)C1CC1 34a_100000700016_100000210614 [0,0,1,1,0,0|2,0,0]=4 1727 B13R1.3151 CCCCCCCNC(C)C1CO1 270004a_100000229938_100000031964 [0,0,1,1,0,0|1,0,0]=3 1728 B13R1.3151 CCCCCCCOC(C)C1CC1 34a_100000744524_100000210614 [0,0,1,1,0,0|1,0,0]=3 1729 B13R1.3151 CCCCCCCOC(C)C1CC1 7a_100000744524_100000210614 [0,0,1,1,0,0|1,0,0]=3 1730 B13R1.3151 CCCCOCCOC(C)C1CC1 34a_100000744524_100000743108 [0,0,1,1,0,0|2,0,0]=4 1731 B13R1.3151 CCCCOCCOC(C)C1CC1 7a_100000744524_100000743108 [0,0,1,1,0,0|2,0,0]=4 1732 B13R1.3151 CCCCSCCNC(C)C1CO1 270004a_100025743550_100000031964 [0,0,1,1,0,0|2,0,0]=4 1733 B13R1.3151 CCCOCCCNC(C)C1CO1 270004a_100011217757_100000031964 [0,0,1,1,0,0|2,0,0]=4 1734 B13R1.3151 COCCCCCNC(C)C1CO1 270004a_100000747528_100000031964 [0,0,1,1,0,0|2,0,0]=4 1735 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 34a_100000212229_100011217769 [0,0,1,1,0,0|0,0,2]=4 1736 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 7a_100000210887_100000179758 [0,0,1,1,0,0|0,0,2]=4 1737 B13R1.6192 CC(C)C(C)NC1CCCCCC1 270004a_100000211541_100000210131 [0,0,1,1,0,0|2,0,0]=4 1738 B13R2.165 CCCCN1CC2CCC(C1)O2 2230a_100015188616_100000210211 [1,0,0,1,0,0|2,0,0]=4 1739 B13R2.165 CCCCN1CC2CCC(C1)O2 269982a_100015188616_100000210211 [1,0,0,1,0,0|2,0,0]=4 1740 B13R2.165 CCCCN1CC2CCC(C1)O2 34a_100015188616_100000210210 [1,0,0,1,0,0|2,0,0]=4 1741 B13R2.165 CCCNC1CC2CCC(C1)O2 270004a_100020643023_100010474450 [1,0,0,1,0,0|2,0,0]=4 1742 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,0,1,0,1,0|0,0,2]=4 1743 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,0,1,0,1,0|0,0,2]=4 1744 B11R0.142 CCCCCCC(C)N(C)CC 2230a_100000225621_100011215978 [0,0,1,0,1,0|2,0,0]=4 1745 B11R0.142 CCCCCCC(C)N(C)CC 269982a_100000225621_100011215978 [0,0,1,0,1,0|2,0,0]=4 1746 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,0,1,0,1,0|1,0,1]=4 1747 B11R0.142 CCCCCCN(C)C(C)CC 2230a_100000741768_100000210314 [0,0,1,0,1,0|2,0,0]=4 1748 B11R0.142 CCCCCCN(C)C(C)CC 2230a_106256046315_100000758301 [0,0,1,0,1,0|2,0,0]=4 1749 B11R0.142 CCCCCCN(C)C(C)CC 269982a_100000741768_100000210757 [0,0,1,0,1,0|2,0,0]=4 1750 B11R0.142 CCCCCCN(C)C(C)CC 269982a_106256046315_100000758301 [0,0,1,0,1,0|2,0,0]=4 1751 B11R0.142 CCCCCNC(C)C(C)CC 269862a_100000209983_100000210599 [0,0,1,0,1,0|2,0,0]=4 1752 B11R0.142 CCCCCNC(C)C(C)CC 270004a_100000209983_100000210599 [0,0,1,0,1,0|2,0,0]=4 1753 B11R0.142 CCCCCOC(C)C(C)CC 7a_100011215189_100000210326 [0,0,1,0,1,0|2,0,0]=4 1754 B11R1.78 CCCCCCN1CC(C1)C 2230a_100000702820_100000210314 [1,0,0,0,1,0|2,0,0]=4 1755 B11R1.78 CCCCCCN1CC(C1)C 269982a_100000702820_100000210757 [1,0,0,0,1,0|2,0,0]=4 1756 B11R1.78 CCCCCCN1CC(C1)C 34a_100000702820_100000210314 [1,0,0,0,1,0|2,0,0]=4 1757 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [1,0,0,0,1,0|2,0,0]=4 1758 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [1,0,0,0,1,0|2,0,0]=4 1759 B13R0.1170 CCCCCCC(C)NCC(C)CC 2230a_100000210919_100000748023 [0,0,1,0,0,1|2,0,0]=4 1760 B13R0.1170 CCCCCCC(C)NCC(C)CC 2230a_100020588543_100011215978 [0,0,1,0,0,1|2,0,0]=4 1761 B13R0.1170 CCCCCCC(C)NCC(C)CC 270004a_100000210919_100000243153 [0,0,1,0,0,1|2,0,0]=4 1762 B13R0.1170 CCCCCCC(C)NCC(C)CC 270004a_100020588543_100000210826 [0,0,1,0,0,1|2,0,0]=4 1763 B13R0.1170 CCCCCCC(C)NCC(C)CC 34a_100000210919_100000748023 [0,0,1,0,0,1|2,0,0]=4 1764 B13R0.1170 CCCCCCC(C)NC[C@@H](C)CC 2230a_100000210919_100009816398 [0,0,1,0,0,1|2,0,0]=4 1765 B13R0.1170 CCCCCCC(C)NC[C@@H](C)CC 34a_100000210919_100009816398 [0,0,1,0,0,1|2,0,0]=4 1766 B13R0.1170 CCCCCCC(C)OCC(C)CC 34a_100000210265_100000748023 [0,0,1,0,0,1|1,0,0]=3 1767 B13R0.1170 CCCCCCC(C)OCC(C)CC 7a_100000210265_100000748023 [0,0,1,0,0,1|1,0,0]=3 1768 B13R0.1170 CCCCCCC(C)OCC(C)CN 34a_100000744482_100011215978 [0,0,1,0,0,1|2,0,0]=4 1769 B13R0.1170 CCCCCCC(C)OCC(C)OC 34a_100000690652_100011215978 [0,0,1,0,0,1|2,0,0]=4 1770 B13R0.1170 CCCCCCC(C)OCC(O)CC 34a_100000210265_100011218378 [0,0,1,0,0,1|2,0,0]=4 1771 B13R0.1170 CCCCCCC(C)OCC(O)CC 7a_100000210265_100011218378 [0,0,1,0,0,1|2,0,0]=4 1772 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CC 34a_100000210265_100009816398 [0,0,1,0,0,1|1,0,0]=3 1773 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CC 7a_100000210265_100009816398 [0,0,1,0,0,1|1,0,0]=3 1774 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CC 7a_100009816381_100011215978 [0,0,1,0,0,1|1,0,0]=3 1775 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CO 34a_100000210265_100000059175 [0,0,1,0,0,1|2,0,0]=4 1776 B13R0.1170 CCCCCCC(C)OC[C@@H](C)CO 7a_100000210265_100000059175 [0,0,1,0,0,1|2,0,0]=4 1777 B13R0.1170 CCCCOCC(C)OCC(C)CC 34a_100011217071_100000748023 [0,0,1,0,0,1|2,0,0]=4 1778 B13R0.1170 CCCCOCC(C)OCC(C)CC 7a_100011217071_100000748023 [0,0,1,0,0,1|2,0,0]=4 1779 B13R0.1170 CCCCOCC(C)OC[C@@H](C)CC 34a_100011217071_100009816398 [0,0,1,0,0,1|2,0,0]=4 1780 B13R0.1170 CCCCOCC(C)OC[C@@H](C)CC 7a_100011217071_100009816398 [0,0,1,0,0,1|2,0,0]=4 1781 B13R0.335 CC(C)CC(C)OCCCCCCBr 34a_100011215345_100000731052 [0,0,1,0,0,1|2,0,0]=4 1782 B13R0.335 CC(C)CC(C)OCCCCCCBr 7a_100011215345_100000731052 [0,0,1,0,0,1|2,0,0]=4 1783 B13R0.335 CC(C)CC(C)OCCCCCCCl 34a_100000766143_100000731052 [0,0,1,0,0,1|2,0,0]=4 1784 B13R0.335 CC(C)CC(C)OCCCCCCCl 7a_100000766143_100000731052 [0,0,1,0,0,1|2,0,0]=4 1785 B13R0.335 CC(C)CC(C)OCCCCCCF 34a_100000211805_100015922095 [0,0,1,0,0,1|2,0,0]=4 1786 B13R0.335 CC(C)CC(C)OCCCCCCF 34a_100000732779_100000731052 [0,0,1,0,0,1|2,0,0]=4 1787 B13R0.335 CC(C)CC(C)OCCCCCCF 7a_100000211805_100015922095 [0,0,1,0,0,1|2,0,0]=4 1788 B13R0.335 CC(C)CC(C)OCCCCCCF 7a_100000732779_100000731052 [0,0,1,0,0,1|2,0,0]=4 1789 B13R0.335 CC(C)CC(C)OCCCCCCN 34a_100000686447_100000731052 [0,0,1,0,0,1|2,0,0]=4 1790 B13R0.335 CC(C)CC(C)OCCCCCCO 34a_100000211805_100000766143 [0,0,1,0,0,1|2,0,0]=4 1791 B13R0.335 CC(C)CC(C)OCCCCCCO 7a_100000211805_100000766143 [0,0,1,0,0,1|2,0,0]=4 1792 B13R0.335 CCCCCCCCC(C)OC(C)C 34a_100000210740_100000210206 [0,0,1,0,0,1|2,0,0]=4 1793 B13R0.335 CCCCCCCCC(C)OC(C)C 7a_100000210740_100000210206 [0,0,1,0,0,1|2,0,0]=4 1794 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000207567_100011218427 [0,0,1,0,0,1|2,0,0]=4 1795 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210759 [0,0,1,0,0,1|2,0,0]=4 1796 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000207567_100011218427 [0,0,1,0,0,1|2,0,0]=4 1797 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210759 [0,0,1,0,0,1|2,0,0]=4 1798 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 2230a_100000207567_100009817552 [0,0,1,0,0,1|2,0,0]=4 1799 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 269982a_100000207567_100009817552 [0,0,1,0,0,1|2,0,0]=4 1800 B13R0.335 CCCCCCCNC(C)CC(C)C 2230a_100000229938_100000731052 [0,0,1,0,0,1|2,0,0]=4 1801 B13R0.335 CCCCCCCNC(C)CC(C)C 2230a_100000692259_100000210681 [0,0,1,0,0,1|2,0,0]=4 1802 B13R0.335 CCCCCCCOC(C)C=C(C)C 34a_100000717055_100000210614 [0,0,1,0,0,1|1,0,1]=4 1803 B13R0.335 CCCCCCCOC(C)CC(C)C 34a_100000210272_100000731052 [0,0,1,0,0,1|1,0,0]=3 1804 B13R0.335 CCCCCCCOC(C)CC(C)C 34a_100000211805_100000210614 [0,0,1,0,0,1|1,0,0]=3 1805 B13R0.335 CCCCCCCOC(C)CC(C)C 7a_100000210272_100000731052 [0,0,1,0,0,1|1,0,0]=3 1806 B13R0.335 CCCCCCCOC(C)CC(C)C 7a_100000211805_100000210614 [0,0,1,0,0,1|1,0,0]=3 1807 B13R0.335 CCCCOCCOC(C)CC(C)C 34a_100000210238_100000731052 [0,0,1,0,0,1|2,0,0]=4 1808 B13R0.335 CCCCOCCOC(C)CC(C)C 34a_100000211805_100000743108 [0,0,1,0,0,1|2,0,0]=4 1809 B13R0.335 CCCCOCCOC(C)CC(C)C 7a_100000210238_100000731052 [0,0,1,0,0,1|2,0,0]=4 1810 B13R0.335 CCCCOCCOC(C)CC(C)C 7a_100000211805_100000743108 [0,0,1,0,0,1|2,0,0]=4 1811 B13R0.335 CCCCSCCOC(C)CC(C)C 34a_200000230436_100000731052 [0,0,1,0,0,1|2,0,0]=4 1812 B13R0.335 CCCCSCCOC(C)CC(C)C 7a_200000230436_100000731052 [0,0,1,0,0,1|2,0,0]=4 1813 B13R0.335 CNCCCCCOC(C)CC(C)C 34a_100000722520_100000731052 [0,0,1,0,0,1|2,0,0]=4