0 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.21 OCC1CCN(C1)CF 269982a_100000748654_100015361967 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.21 OCC1CCN(C1)CF 34a_100000748654_100015361967 [0,0,0,0,0,0|3,1,0]=4 5 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.96 CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200000210301 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.96 COC[C@H]1CC[C@H](C1)CN 34a_206354213956_200000210301 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.96 [13CH3]NC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_200025704644 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.96 [13CH3]OC[C@H]1CC[C@H](C1)CN 34a_206354213956_200025704644 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.6 C#CCNCC(O)CO 34a_100000212058_100011219619 [0,0,1,0,0,0|2,0,1]=4 16 B8R0.6 C#CCNC[C@@H](O)CO 34a_100000212058_100009815848 [0,0,1,0,0,0|2,0,1]=4 17 B8R0.6 C#CCNC[C@H](O)CO 2230a_100020644852_100000038162 [0,0,1,0,0,0|2,0,1]=4 18 B8R0.6 C#CCOCC(O)CC 34a_100000210247_100011218378 [0,0,1,0,0,0|2,0,1]=4 19 B8R0.6 C#CCOCC(O)CO 34a_100000210247_100011219619 [0,0,1,0,0,0|1,0,1]=3 20 B8R0.6 C#CCOC[C@@H](C)CO 34a_100000210247_100000059175 [0,0,1,0,0,0|2,0,1]=4 21 B8R0.6 C#CCOC[C@@H](O)CF 34a_100000210247_100015614560 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.6 C#CCOC[C@@H](O)CO 34a_100000210247_100009815848 [0,0,1,0,0,0|1,0,1]=3 23 B8R0.6 C#CCSCC(O)CO 62a_100000038162_100011219619 [0,0,1,0,0,0|1,1,1]=4 24 B8R0.6 C#CCSC[C@@H](O)CO 62a_100000038162_100009815848 [0,0,1,0,0,0|1,1,1]=4 25 B8R0.6 C#C[C@@H](C)OCCCO 34a_100009815206_100000230001 [0,0,1,0,0,0|2,0,1]=4 26 B8R0.6 C#C[C@@H](C)OCCCO 7a_100009815206_100011215043 [0,0,1,0,0,0|2,0,1]=4 27 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.6 C=CC(O)COCCBr 34a_100000211926_100000730141 [0,0,1,0,0,0|1,1,1]=4 29 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [0,0,1,0,0,0|2,0,1]=4 30 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,0,1,0,0,0|2,0,1]=4 31 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [0,0,1,0,0,0|2,0,1]=4 34 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [0,0,1,0,0,0|2,0,1]=4 35 B8R0.6 C=CCOCC(O)CO 34a_200000210373_100011219619 [0,0,1,0,0,0|1,0,1]=3 36 B8R0.6 C=CCOC[C@@H](C)CO 34a_200000210373_100000059175 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.6 C=CCOC[C@@H](O)CF 34a_200000210373_100015614560 [0,0,1,0,0,0|2,0,1]=4 38 B8R0.6 C=CCOC[C@@H](O)CO 34a_200000210373_100009815848 [0,0,1,0,0,0|1,0,1]=3 39 B8R0.6 C=CCSCC(O)CO 62a_100000210623_100011219619 [0,0,1,0,0,0|1,1,1]=4 40 B8R0.6 C=CCSCC(O)CO 62a_100011219619_100000210623 [0,0,1,0,0,0|1,1,1]=4 41 B8R0.6 C=CCSC[C@@H](O)CO 62a_100000210623_100009815848 [0,0,1,0,0,0|1,1,1]=4 42 B8R0.6 C=CCSC[C@@H](O)CO 62a_100009815848_100000210623 [0,0,1,0,0,0|1,1,1]=4 43 B8R0.6 CC(C#N)OCCCO 34a_100011218135_100000230001 [0,0,1,0,0,0|2,0,1]=4 44 B8R0.6 CC(CF)OCCCF 34a_100016041109_100011934791 [0,0,1,0,0,0|2,1,0]=4 45 B8R0.6 CC(CF)OCCCF 7a_100016041109_100011934791 [0,0,1,0,0,0|2,1,0]=4 46 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [0,0,1,0,0,0|1,1,0]=3 47 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [0,0,1,0,0,0|1,1,0]=3 48 B8R0.6 CC(CN)COCCF 34a_100000744482_100011217306 [0,0,1,0,0,0|2,1,0]=4 49 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [0,0,1,0,0,0|3,0,0]=4 50 B8R0.6 CC(CN)OCCCF 34a_100000210904_100011934791 [0,0,1,0,0,0|3,0,0]=4 51 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [0,0,1,0,0,0|2,0,0]=3 52 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [0,0,1,0,0,0|2,1,0]=4 53 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,0,1,0,0,0|3,0,0]=4 54 B8R0.6 CC(CO)OCCCBr 34a_100011217188_100012180447 [0,0,1,0,0,0|3,0,0]=4 55 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [0,0,1,0,0,0|3,0,0]=4 56 B8R0.6 CC(CO)OCCCF 34a_100000759539_100012180447 [0,0,1,0,0,0|3,0,0]=4 57 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [0,0,1,0,0,0|3,0,0]=4 58 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,0,1,0,0,0|2,1,0]=4 59 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [0,0,1,0,0,0|2,1,0]=4 60 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [0,0,1,0,0,0|3,0,0]=4 61 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,0,1,0,0,0|3,0,0]=4 62 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,0,1,0,0,0|3,0,0]=4 63 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,0,1,0,0,0|3,0,0]=4 64 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,0,1,0,0,0|3,0,0]=4 65 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,0,1,0,0,0|3,0,0]=4 66 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,0,1,0,0,0|2,0,0]=3 68 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,0,1,0,0,0|2,1,0]=4 69 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,0,1,0,0,0|2,1,0]=4 70 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,0,1,0,0,0|2,1,0]=4 71 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,0,1,0,0,0|2,1,0]=4 72 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,0,1,0,0,0|3,0,0]=4 73 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,0,1,0,0,0|3,0,0]=4 74 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.6 CCC(O)COCCBr 34a_100000211926_100011218378 [0,0,1,0,0,0|1,1,0]=3 76 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,0,1,0,0,0|2,0,0]=3 77 B8R0.6 CCC(O)CSCCF 62a_100011217306_100011218378 [0,0,1,0,0,0|1,2,0]=4 78 B8R0.6 CCC(O)CSCCF 62a_100011218378_100011217306 [0,0,1,0,0,0|1,2,0]=4 79 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,0,1,0,0,0|2,1,0]=4 80 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,0,1,0,0,0|2,1,0]=4 81 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,0,1,0,0,0|3,0,0]=4 83 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [0,0,1,0,0,0|2,1,0]=4 85 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [0,0,1,0,0,0|2,1,0]=4 86 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [0,0,1,0,0,0|3,0,0]=4 88 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,0,1,0,0,0|3,0,0]=4 92 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,0,1,0,0,0|2,0,0]=3 93 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,0,1,0,0,0|3,0,0]=4 94 B8R0.6 CCCOCC(C)CN 34a_100000744482_100000210303 [0,0,1,0,0,0|3,0,0]=4 95 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,0,1,0,0,0|3,0,0]=4 96 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,0,1,0,0,0|2,0,0]=3 97 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [0,0,1,0,0,0|1,0,0]=2 98 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,0,1,0,0,0|3,0,0]=4 100 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [0,0,1,0,0,0|2,0,0]=3 101 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [0,0,1,0,0,0|2,0,0]=3 102 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [0,0,1,0,0,0|1,0,0]=2 103 B8R0.6 CCCOC[C@H](F)CN 34a_100015665980_100000210303 [0,0,1,0,0,0|3,0,0]=4 104 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,0,1,0,0,0|2,1,0]=4 105 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,0,1,0,0,0|2,1,0]=4 106 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [0,0,1,0,0,0|1,1,0]=3 107 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [0,0,1,0,0,0|1,1,0]=3 108 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [0,0,1,0,0,0|2,1,0]=4 109 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [0,0,1,0,0,0|2,1,0]=4 110 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [0,0,1,0,0,0|2,1,0]=4 111 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [0,0,1,0,0,0|2,1,0]=4 112 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [0,0,1,0,0,0|1,1,0]=3 113 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [0,0,1,0,0,0|1,1,0]=3 114 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [0,0,1,0,0,0|2,1,0]=4 115 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [0,0,1,0,0,0|2,1,0]=4 116 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [0,0,1,0,0,0|3,0,0]=4 117 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,0,1,0,0,0|3,0,0]=4 118 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [0,0,1,0,0,0|2,1,0]=4 120 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [0,0,1,0,0,0|2,1,0]=4 121 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [0,0,1,0,0,0|2,1,0]=4 122 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [0,0,1,0,0,0|2,1,0]=4 123 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [0,0,1,0,0,0|3,0,0]=4 124 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [0,0,1,0,0,0|2,1,0]=4 125 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [0,0,1,0,0,0|2,1,0]=4 126 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [0,0,1,0,0,0|2,1,0]=4 127 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [0,0,1,0,0,0|2,1,0]=4 128 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [0,0,1,0,0,0|2,1,0]=4 129 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,0,1,0,0,0|3,0,0]=4 130 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,0,1,0,0,0|3,0,0]=4 131 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [0,0,1,0,0,0|1,1,0]=3 132 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,0,1,0,0,0|2,0,0]=3 133 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [0,0,1,0,0,0|1,2,0]=4 134 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [0,0,1,0,0,0|1,2,0]=4 135 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,0,1,0,0,0|2,1,0]=4 136 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,0,1,0,0,0|2,1,0]=4 137 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,0,1,0,0,0|3,0,0]=4 138 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,0,1,0,0,0|2,1,0]=4 139 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,0,1,0,0,0|2,1,0]=4 140 B8R0.6 FCCOCC(Cl)CCl 34a_100000033668_100011217306 [0,0,1,0,0,0|2,1,0]=4 141 B8R0.6 N#CCNC[C@H](O)CO 2230a_100020644852_100011215382 [0,0,1,0,0,0|2,0,1]=4 142 B8R0.6 N#CCSCC(O)CO 62a_100011215382_100011219619 [0,0,1,0,0,0|1,1,1]=4 143 B8R0.6 N#CCSCC(O)CO 62a_100011219619_100011215382 [0,0,1,0,0,0|1,1,1]=4 144 B8R0.6 N#CCSC[C@@H](O)CO 62a_100009815848_100011215382 [0,0,1,0,0,0|1,1,1]=4 145 B8R0.6 N#CCSC[C@@H](O)CO 62a_100011215382_100009815848 [0,0,1,0,0,0|1,1,1]=4 146 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,0,1,0,0,0|1,0,0]=2 147 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [0,0,1,0,0,0|2,0,0]=3 148 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,0,1,0,0,0|1,0,0]=2 149 B8R0.6 NC[C@@H](F)COCCF 34a_100015665980_100011217306 [0,0,1,0,0,0|2,1,0]=4 150 B8R0.6 NC[C@@H](F)COCCO 34a_100015665980_100000211926 [0,0,1,0,0,0|3,0,0]=4 151 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,0,1,0,0,0|2,0,1]=4 152 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,0,1,0,0,0|1,1,1]=4 153 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,0,1,0,0,0|1,1,1]=4 154 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,0,1,0,0,0|1,1,1]=4 155 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,0,1,0,0,0|1,1,1]=4 156 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,0,1,0,0,0|1,1,0]=3 157 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [0,0,1,0,0,0|0,1,0]=2 158 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [0,0,1,0,0,0|0,2,0]=3 159 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [0,0,1,0,0,0|0,2,0]=3 160 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,0,1,0,0,0|2,0,0]=3 161 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,0,1,0,0,0|2,0,0]=3 162 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,0,1,0,0,0|3,0,0]=4 163 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,0,1,0,0,0|2,1,0]=4 164 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,0,1,0,0,0|2,1,0]=4 165 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,0,1,0,0,0|2,0,0]=3 166 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,0,1,0,0,0|2,0,0]=3 167 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,0,1,0,0,0|2,0,0]=3 168 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [0,0,1,0,0,0|3,0,0]=4 169 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,0,1,0,0,0|1,1,0]=3 170 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,0,1,0,0,0|1,1,0]=3 171 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,0,1,0,0,0|2,1,0]=4 172 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,0,1,0,0,0|2,1,0]=4 173 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,0,1,0,0,0|1,1,0]=3 174 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,0,1,0,0,0|1,1,0]=3 175 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,0,1,0,0,0|1,1,0]=3 176 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [0,0,1,0,0,0|2,1,0]=4 177 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,0,1,0,0,0|1,1,0]=3 178 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [0,0,1,0,0,0|0,1,0]=2 179 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [0,0,1,0,0,0|0,2,0]=3 180 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [0,0,1,0,0,0|0,2,0]=3 181 B8R0.6 O[C@@H](CF)CNCCF 34a_100000724931_100015614560 [0,0,1,0,0,0|2,1,0]=4 182 B8R0.6 O[C@@H](CF)COCCBr 34a_100000211926_100015614560 [0,0,1,0,0,0|1,1,0]=3 183 B8R0.6 O[C@@H](CF)CSCCF 62a_100011217306_100015614560 [0,0,1,0,0,0|1,2,0]=4 184 B8R0.6 O[C@@H](CF)CSCCF 62a_100015614560_100011217306 [0,0,1,0,0,0|1,2,0]=4 185 B8R0.11 C#CC(CC)OCCO 34a_100000758843_100000211926 [0,0,1,0,0,0|2,0,1]=4 186 B8R0.11 C#CC(CC)OCCO 7a_100000758843_100000211926 [0,0,1,0,0,0|2,0,1]=4 187 B8R0.11 C#CCNC(CO)CO 2230a_100000759517_100000038162 [0,0,1,0,0,0|2,0,1]=4 188 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,0,1,0,0,0|2,0,1]=4 189 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,0,1,0,0,0|2,0,1]=4 190 B8R0.11 C=CCNC(CO)CO 2230a_100000759517_100000210623 [0,0,1,0,0,0|2,0,1]=4 191 B8R0.11 CCC(CC)NCCO 2230a_100000199018_100000211926 [0,0,1,0,0,0|3,0,0]=4 192 B8R0.11 CCC(CC)NCCO 270004a_100000210304_100000210860 [0,0,1,0,0,0|3,0,0]=4 193 B8R0.11 CCC(CC)OCCF 7a_100000688536_100011217306 [0,0,1,0,0,0|2,1,0]=4 194 B8R0.11 CCC(CC)OCCO 7a_100000688536_100000211926 [0,0,1,0,0,0|2,0,0]=3 195 B8R0.11 CCC(CC)SCCO 62a_100000210505_100000211926 [0,0,1,0,0,0|2,1,0]=4 196 B8R0.11 CCC(CC)SCCO 62a_100000211926_100000210505 [0,0,1,0,0,0|2,1,0]=4 197 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,0,1,0,0,0|3,0,0]=4 198 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,0,1,0,0,0|3,0,0]=4 199 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,0,1,0,0,0|3,0,0]=4 200 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,0,1,0,0,0|3,0,0]=4 201 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,0,1,0,0,0|3,0,0]=4 202 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [0,0,1,0,0,0|2,0,0]=3 203 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,0,1,0,0,0|3,0,0]=4 204 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [0,0,1,0,0,0|3,0,0]=4 205 B8R0.11 CCCOC(CCl)CCl 7a_100000737055_100000210303 [0,0,1,0,0,0|3,0,0]=4 206 B8R0.11 CCCOC(CF)CF 34a_100000032261_100000210303 [0,0,1,0,0,0|3,0,0]=4 207 B8R0.11 CCCOC(CF)CF 7a_100000032261_100000210303 [0,0,1,0,0,0|3,0,0]=4 208 B8R0.11 CCCOC(CN)CN 34a_100000031598_100000210303 [0,0,1,0,0,0|3,0,0]=4 209 B8R0.11 CCCO[C@@H](CF)CCl 34a_100015614560_100000210303 [0,0,1,0,0,0|3,0,0]=4 210 B8R0.11 CCCO[C@@H](CF)CCl 7a_100015614560_100000210303 [0,0,1,0,0,0|3,0,0]=4 211 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [0,0,1,0,0,0|2,1,0]=4 212 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [0,0,1,0,0,0|3,0,0]=4 213 B8R0.11 COCNC(CO)CO 2230a_100000759517_100000766300 [0,0,1,0,0,0|3,0,0]=4 214 B8R0.11 CSCNC(CO)CO 2230a_100000759517_100011218213 [0,0,1,0,0,0|3,0,0]=4 215 B8R0.11 FCCOC(CCl)CCl 7a_100000737055_100011217306 [0,0,1,0,0,0|2,1,0]=4 216 B8R0.11 FCCOC(CF)CF 34a_100000032261_100011217306 [0,0,1,0,0,0|2,1,0]=4 217 B8R0.11 FCCOC(CF)CF 7a_100000032261_100011217306 [0,0,1,0,0,0|2,1,0]=4 218 B8R0.11 FCCO[C@@H](CF)CCl 34a_100015614560_100011217306 [0,0,1,0,0,0|2,1,0]=4 219 B8R0.11 FCCO[C@@H](CF)CCl 7a_100015614560_100011217306 [0,0,1,0,0,0|2,1,0]=4 220 B8R0.11 N#CCNC(CO)CO 2230a_100000759517_100011215382 [0,0,1,0,0,0|2,0,1]=4 221 B8R0.11 NCC(CN)OCCF 34a_100000031598_100011217306 [0,0,1,0,0,0|2,1,0]=4 222 B8R0.11 NCC(CN)OCCO 34a_100000031598_100000211926 [0,0,1,0,0,0|3,0,0]=4 223 B8R0.11 O=CCNC(CO)CO 2230a_100000759517_200015260668 [0,0,1,0,0,0|2,0,1]=4 224 B8R0.11 OCC(CO)NCCF 2230a_100000759517_100011217306 [0,0,1,0,0,0|1,1,0]=3 225 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [0,0,1,0,0,0|2,0,0]=3 226 B8R0.11 OCCOC(CCl)CCl 7a_100000737055_100000211926 [0,0,1,0,0,0|2,1,0]=4 227 B8R0.11 OCCOC(CF)CF 34a_100000032261_100000211926 [0,0,1,0,0,0|2,1,0]=4 228 B8R0.11 OCCOC(CF)CF 7a_100000032261_100000211926 [0,0,1,0,0,0|2,1,0]=4 229 B8R0.11 OCCO[C@@H](CF)CCl 34a_100015614560_100000211926 [0,0,1,0,0,0|2,1,0]=4 230 B8R0.11 OCCO[C@@H](CF)CCl 7a_100015614560_100000211926 [0,0,1,0,0,0|2,1,0]=4 231 B8R0.19 C#C[C@@H](C)OC(C)CO 34a_100009815206_100012180447 [0,0,1,0,0,0|2,0,1]=4 232 B8R0.19 C#C[C@@H](C)OC(C)CO 7a_100009815206_100012180447 [0,0,1,0,0,0|2,0,1]=4 233 B8R0.19 C=CC(C)OC(C)CO 34a_100000695699_100012180447 [0,0,1,0,0,0|2,0,1]=4 234 B8R0.19 CC(C#N)OC(C)CO 34a_100011218135_100012180447 [0,0,1,0,0,0|2,0,1]=4 235 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [0,0,1,0,0,0|2,0,0]=3 236 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [0,0,1,0,0,0|3,0,0]=4 237 B8R0.19 CC(CO)OC(C)CF 34a_100016041109_100012180447 [0,0,1,0,0,0|1,1,0]=3 238 B8R0.19 CC(CO)OC(C)CF 7a_100016041109_100012180447 [0,0,1,0,0,0|1,1,0]=3 239 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [0,0,1,0,0,0|2,1,0]=4 240 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,0,1,0,0,0|3,0,0]=4 241 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,0,1,0,0,0|3,0,0]=4 242 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,0,1,0,0,0|3,0,0]=4 243 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,0,1,0,0,0|2,1,0]=4 244 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,0,1,0,0,0|2,1,0]=4 245 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,0,1,0,0,0|3,0,0]=4 246 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,0,1,0,0,0|2,0,0]=3 247 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,0,1,0,0,0|2,1,0]=4 248 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,0,1,0,0,0|2,1,0]=4 249 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,0,1,0,0,0|2,1,0]=4 250 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [0,0,1,0,0,0|2,1,0]=4 251 B8R1.47 CCN1CC(C1)CO 269982a_100016987283_100000204670 [0,0,0,0,1,0|3,0,0]=4 252 B8R1.47 CCN1CC(C1)CO 34a_100016987283_100000210202 [0,0,0,0,1,0|3,0,0]=4 253 B8R1.47 CNC1CC(C1)CO 270004a_106832991635_100000101936 [0,0,0,0,1,0|3,0,0]=4 254 B8R1.47 CSC1CC(C1)CO 62a_100009874164_200000210301 [0,0,0,0,1,0|3,0,0]=4 255 B8R1.47 CSC1CC(C1)CO 62a_200000210301_100009874164 [0,0,0,0,1,0|3,0,0]=4 256 B8R1.47 OCC1CN(C1)CF 269982a_100016987283_100015361967 [0,0,0,0,1,0|2,1,0]=4 257 B8R1.47 OCC1CN(C1)CF 34a_100016987283_100015361967 [0,0,0,0,1,0|2,1,0]=4 258 B8R1.47 [13CH3]SC1CC(C1)CO 62a_100009874164_200025704644 [0,0,0,0,1,0|3,0,0]=4 259 B8R1.47 [13CH3]SC1CC(C1)CO 62a_200025704644_100009874164 [0,0,0,0,1,0|3,0,0]=4 260 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [1,0,1,0,0,0|1,0,1]=4 261 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,0,1,0,0,0|1,0,1]=4 262 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,1,0,0,0|1,1,0]=4 263 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,1,0,0,0|2,0,0]=4 266 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,1,0,0,0|1,1,0]=4 267 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,1,0,0,0|1,1,0]=4 268 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,1,0,0,0|2,0,0]=4 269 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,1,0,0,0|2,0,0]=4 270 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,1,0,0,0|2,0,0]=4 271 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,1,0,0,0|2,0,0]=4 272 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,1,0,0,0|2,0,0]=4 273 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,1,0,0,0|2,0,0]=4 274 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,1,0,0,0|1,0,0]=3 277 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,1,0,0,0|1,1,0]=4 278 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,1,0,0,0|1,1,0]=4 279 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [1,0,1,0,0,0|2,0,0]=4 280 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [1,0,1,0,0,0|2,0,0]=4 281 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [1,0,1,0,0,0|1,1,0]=4 282 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [1,0,1,0,0,0|1,1,0]=4 283 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [1,0,1,0,0,0|1,1,0]=4 284 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [1,0,1,0,0,0|1,1,0]=4 285 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [1,0,1,0,0,0|1,1,0]=4 286 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,0,1,0,0,0|2,0,0]=4 287 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [1,0,1,0,0,0|2,0,0]=4 288 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,0,1,0,0,0|1,0,0]=3 289 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,0,1,0,0,0|1,1,0]=4 290 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,0,1,0,0,0|2,0,0]=4 291 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,0,1,0,0,0|0,1,0]=3 293 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,0,1,0,0,0|0,2,0]=4 294 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,0,1,0,0,0|0,2,0]=4 295 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,0,1,0,0,0|1,1,0]=4 296 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,0,1,0,0,0|1,1,0]=4 297 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,0,1,0,0,0|2,0,0]=4 298 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,0,1,0,0,0|2,0,0]=4 299 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [1,0,1,0,0,0|1,0,1]=4 303 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [1,0,1,0,0,0|1,0,1]=4 304 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [1,0,1,0,0,0|1,0,1]=4 305 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [1,0,1,0,0,0|1,0,1]=4 306 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [1,0,1,0,0,0|1,0,1]=4 307 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [1,0,1,0,0,0|1,0,1]=4 308 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [1,0,1,0,0,0|1,0,1]=4 309 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,0,1,0,0,0|2,0,0]=4 310 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [1,0,1,0,0,0|1,1,0]=4 312 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [1,0,1,0,0,0|1,1,0]=4 313 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [1,0,1,0,0,0|0,1,0]=3 314 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [1,0,1,0,0,0|0,1,0]=3 315 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [1,0,1,0,0,0|1,1,0]=4 316 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [1,0,1,0,0,0|1,0,0]=3 317 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [1,0,1,0,0,0|1,1,0]=4 318 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,0,1,0,0,0|2,0,0]=4 319 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,0,1,0,0,0|2,0,0]=4 320 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [1,0,1,0,0,0|0,1,0]=3 321 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [1,0,1,0,0,0|1,0,0]=3 322 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [1,0,1,0,0,0|0,2,0]=4 323 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,0,1,0,0,0|1,1,0]=4 324 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,0,1,0,0,0|2,0,0]=4 325 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,0,1,0,0,0|2,0,0]=4 326 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,0,1,0,0,0|2,0,0]=4 327 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,0,1,0,0,0|1,1,0]=4 328 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,0,1,0,0,0|1,1,0]=4 329 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,0,1,0,0,0|2,0,0]=4 330 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,0,1,0,0,0|1,0,0]=3 331 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,0,1,0,0,0|1,1,0]=4 332 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,0,1,0,0,0|1,1,0]=4 333 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,1,0,0,0|2,0,0]=4 334 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,1,0,0,0|2,0,0]=4 335 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,1,0,0,0|2,0,0]=4 336 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,1,0,0,0|2,0,0]=4 337 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,1,0,0,0|2,0,0]=4 338 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,0,1,0,0,0|2,0,0]=4 339 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,0,1,0,0,0|2,0,0]=4 340 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,0,1,0,0,0|2,0,0]=4 341 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,0,1,0,0,0|1,1,0]=4 342 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,0,1,0,0,0|1,1,0]=4 343 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,0,1,0,0,0|2,0,0]=4 344 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,0,1,0,0,0|1,0,0]=3 345 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,0,1,0,0,0|1,1,0]=4 346 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,0,1,0,0,0|1,1,0]=4 347 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,0,1,0,0,0|1,1,0]=4 348 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,0,1,0,0,0|1,1,0]=4 349 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,0,1,0,0,0|1,1,0]=4 350 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,0,1,0,0,0|2,0,0]=4 351 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,0,1,0,0,0|2,0,0]=4 352 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,0,1,0,0,0|2,0,0]=4 353 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,0,1,0,0,0|1,0,0]=3 354 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,0,1,0,0,0|2,0,0]=4 355 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [1,0,1,0,0,0|2,0,0]=4 356 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [1,0,1,0,0,0|2,0,0]=4 357 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,0,1,0,0,0|1,0,0]=3 358 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,0,1,0,0,0|1,0,0]=3 359 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,0,1,0,0,0|2,0,0]=4 360 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,0,1,0,0,0|2,0,0]=4 361 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [1,0,1,0,0,0|2,0,0]=4 362 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,0,1,0,0,0|1,0,0]=3 363 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,0,1,0,0,0|0,0,0]=2 364 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,0,1,0,0,0|2,0,0]=4 365 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,0,1,0,0,0|2,0,0]=4 366 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,0,1,0,0,0|1,0,0]=3 367 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [1,0,1,0,0,0|1,0,0]=3 368 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,0,1,0,0,0|0,0,0]=2 369 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [1,0,1,0,0,0|2,0,0]=4 370 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,0,1,0,0,0|1,1,0]=4 371 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,0,1,0,0,0|1,1,0]=4 372 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,0,1,0,0,0|0,1,0]=3 373 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,0,1,0,0,0|0,1,0]=3 374 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,0,1,0,0,0|1,1,0]=4 375 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,0,1,0,0,0|1,1,0]=4 376 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [1,0,1,0,0,0|1,1,0]=4 377 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [1,0,1,0,0,0|1,1,0]=4 378 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,0,1,0,0,0|0,1,0]=3 379 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,0,1,0,0,0|0,1,0]=3 380 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,0,1,0,0,0|2,0,0]=4 381 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,0,1,0,0,0|2,0,0]=4 382 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [1,0,1,0,0,0|1,1,0]=4 383 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [1,0,1,0,0,0|1,1,0]=4 384 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [1,0,1,0,0,0|0,1,0]=3 385 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [1,0,1,0,0,0|0,1,0]=3 386 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [1,0,1,0,0,0|1,1,0]=4 387 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,0,1,0,0,0|2,0,0]=4 388 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [1,0,1,0,0,0|0,2,0]=4 389 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [1,0,1,0,0,0|0,2,0]=4 390 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,0,1,0,0,0|1,1,0]=4 391 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,0,1,0,0,0|1,1,0]=4 392 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [1,0,1,0,0,0|0,2,0]=4 393 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [1,0,1,0,0,0|0,2,0]=4 394 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [1,0,1,0,0,0|0,2,0]=4 395 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [1,0,1,0,0,0|0,2,0]=4 396 B7R0.4 C#CCOCC(C)O 34a_100000210247_100011218427 [1,0,1,0,0,0|1,0,1]=4 397 B7R0.4 C#CCOC[C@@H](C)O 34a_100000210247_100009817552 [1,0,1,0,0,0|1,0,1]=4 398 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [1,0,1,0,0,0|1,0,1]=4 399 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [1,0,1,0,0,0|1,0,1]=4 400 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [1,0,1,0,0,0|1,1,0]=4 401 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,0,1,0,0,0|2,0,0]=4 402 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,0,1,0,0,0|1,1,0]=4 403 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,0,1,0,0,0|1,1,0]=4 404 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,0,1,0,0,0|2,0,0]=4 405 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,0,1,0,0,0|2,0,0]=4 406 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,0,1,0,0,0|2,0,0]=4 407 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,0,1,0,0,0|2,0,0]=4 408 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,0,1,0,0,0|2,0,0]=4 409 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,0,1,0,0,0|2,0,0]=4 410 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,0,1,0,0,0|2,0,0]=4 411 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,0,1,0,0,0|2,0,0]=4 412 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,0,1,0,0,0|2,0,0]=4 413 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,0,1,0,0,0|1,0,0]=3 414 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,0,1,0,0,0|1,1,0]=4 415 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,0,1,0,0,0|1,1,0]=4 416 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [1,0,1,0,0,0|1,1,0]=4 417 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,0,1,0,0,0|2,0,0]=4 418 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [1,0,1,0,0,0|1,1,0]=4 419 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [1,0,1,0,0,0|1,1,0]=4 420 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [1,0,1,0,0,0|1,1,0]=4 421 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,0,1,0,0,0|2,0,0]=4 422 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,0,1,0,0,0|2,0,0]=4 423 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,0,1,0,0,0|2,0,0]=4 424 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,0,1,0,0,0|2,0,0]=4 425 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,0,1,0,0,0|0,1,0]=3 426 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,0,1,0,0,0|1,0,0]=3 427 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,0,1,0,0,0|0,2,0]=4 428 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,0,1,0,0,0|0,2,0]=4 429 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,0,1,0,0,0|1,1,0]=4 430 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,0,1,0,0,0|1,1,0]=4 431 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,1,0,0,0|2,0,0]=4 432 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,1,0,0,0|2,0,0]=4 433 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,1,0,0,0|2,0,0]=4 434 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,1,0,0,0|2,0,0]=4 435 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,1,0,0,0|2,0,0]=4 436 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,0,1,0,0,0|2,0,0]=4 437 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,1,0,0,0|2,0,0]=4 438 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,1,0,0,0|2,0,0]=4 439 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,0,1,0,0,0|2,0,0]=4 440 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,1,0,0,0|1,0,0]=3 441 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,0,1,0,0,0|2,0,0]=4 442 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,0,1,0,0,0|2,0,0]=4 443 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,1,0,0,0|1,0,0]=3 444 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,1,0,0,0|1,1,0]=4 445 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,1,0,0,0|1,1,0]=4 446 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,1,0,0,0|1,1,0]=4 447 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,1,0,0,0|1,1,0]=4 448 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [1,0,1,0,0,0|1,1,0]=4 449 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,0,1,0,0,0|2,0,0]=4 450 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [1,0,1,0,0,0|1,1,0]=4 451 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,0,1,0,0,0|2,0,0]=4 452 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [1,0,1,0,0,0|1,1,0]=4 453 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,0,1,0,0,0|2,0,0]=4 454 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,0,1,0,0,0|2,0,0]=4 455 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,0,1,0,0,0|0,1,0]=3 456 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,0,1,0,0,0|1,0,0]=3 457 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,0,1,0,0,0|0,2,0]=4 458 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,0,1,0,0,0|0,2,0]=4 459 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,0,1,0,0,0|1,1,0]=4 460 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,0,1,0,0,0|1,1,0]=4 461 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,0,1,0,0,0|2,0,0]=4 462 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,0,1,0,0,0|2,0,0]=4 463 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,0,1,0,0,0|2,0,0]=4 464 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,0,1,0,0,0|2,0,0]=4 465 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [1,0,1,0,0,0|1,0,0]=3 466 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [1,0,1,0,0,0|2,0,0]=4 467 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [1,0,1,0,0,0|2,0,0]=4 468 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [1,0,1,0,0,0|2,0,0]=4 469 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [1,0,1,0,0,0|2,0,0]=4 470 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [1,0,1,0,0,0|2,0,0]=4 471 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [1,0,1,0,0,0|2,0,0]=4 472 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [1,0,1,0,0,0|2,0,0]=4 473 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [1,0,1,0,0,0|2,0,0]=4 474 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [1,0,1,0,0,0|2,0,0]=4 475 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [1,0,1,0,0,0|2,0,0]=4 476 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [1,0,1,0,0,0|2,0,0]=4 477 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [1,0,1,0,0,0|1,1,0]=4 478 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [1,0,1,0,0,0|1,1,0]=4 479 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [1,0,1,0,0,0|2,0,0]=4 480 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [1,0,1,0,0,0|1,0,0]=3 481 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [1,0,1,0,0,0|1,1,0]=4 482 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [1,0,1,0,0,0|1,1,0]=4 483 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [1,0,1,0,0,0|1,1,0]=4 484 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,0,1,0,0,0|2,0,0]=4 485 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,0,1,0,0,0|2,0,0]=4 486 B9R0.1 C=C(C)COCC(O)CO 34a_100000210245_100011219619 [0,1,1,0,0,0|1,0,1]=4 487 B9R0.1 C=C(C)COC[C@@H](O)CO 34a_100000210245_100009815848 [0,1,1,0,0,0|1,0,1]=4 488 B9R0.1 C=C(F)COCC(O)CO 34a_200010262243_100011219619 [0,1,1,0,0,0|0,1,1]=4 489 B9R0.1 C=C(F)COC[C@@H](O)CO 34a_200010262243_100009815848 [0,1,1,0,0,0|0,1,1]=4 490 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,1,0,0,0|1,0,1]=4 491 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,1,0,0,0|1,0,1]=4 492 B9R0.1 CC(Br)COCC(O)CO 34a_100012180447_100011219619 [0,1,1,0,0,0|0,1,0]=3 493 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [0,1,1,0,0,0|1,1,0]=4 494 B9R0.1 CC(Br)COC[C@@H](O)CF 34a_100012180447_100015614560 [0,1,1,0,0,0|1,1,0]=4 495 B9R0.1 CC(Br)COC[C@@H](O)CO 34a_100012180447_100009815848 [0,1,1,0,0,0|0,1,0]=3 496 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [0,1,1,0,0,0|2,0,0]=4 497 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [0,1,1,0,0,0|2,0,0]=4 498 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [0,1,1,0,0,0|2,0,0]=4 499 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [0,1,1,0,0,0|2,0,0]=4 500 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [0,1,1,0,0,0|2,0,0]=4 501 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [0,1,1,0,0,0|1,0,0]=3 502 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [0,1,1,0,0,0|2,0,0]=4 503 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [0,1,1,0,0,0|2,0,0]=4 504 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [0,1,1,0,0,0|1,0,0]=3 505 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,1,1,0,0,0|1,1,0]=4 506 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,1,1,0,0,0|1,1,0]=4 507 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,1,1,0,0,0|1,1,0]=4 508 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,1,1,0,0,0|1,1,0]=4 509 B9R0.1 CC(F)COCC(O)CO 34a_100015925927_100011219619 [0,1,1,0,0,0|0,1,0]=3 510 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [0,1,1,0,0,0|1,1,0]=4 511 B9R0.1 CC(F)COC[C@@H](O)CF 34a_100015925927_100015614560 [0,1,1,0,0,0|1,1,0]=4 512 B9R0.1 CC(F)COC[C@@H](O)CO 34a_100015925927_100009815848 [0,1,1,0,0,0|0,1,0]=3 513 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [0,1,1,0,0,0|1,1,0]=4 514 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [0,1,1,0,0,0|1,1,0]=4 515 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,1,1,0,0,0|2,0,0]=4 516 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [0,1,1,0,0,0|2,0,0]=4 517 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [0,1,1,0,0,0|2,0,0]=4 518 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [0,1,1,0,0,0|2,0,0]=4 519 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [0,1,1,0,0,0|2,0,0]=4 520 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [0,1,1,0,0,0|2,0,0]=4 521 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [0,1,1,0,0,0|1,1,0]=4 522 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [0,1,1,0,0,0|1,1,0]=4 523 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [0,1,1,0,0,0|1,1,0]=4 524 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [0,1,1,0,0,0|1,1,0]=4 525 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,1,1,0,0,0|2,0,0]=4 526 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [0,1,1,0,0,0|1,1,0]=4 527 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,1,1,0,0,0|2,0,0]=4 528 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [0,1,1,0,0,0|1,1,0]=4 529 B9R0.1 CCC(O)COCC(F)F 34a_100000743014_100011218378 [0,1,1,0,0,0|1,1,0]=4 530 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [0,1,1,0,0,0|1,1,0]=4 531 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [0,1,1,0,0,0|2,0,0]=4 532 B9R0.1 C[C@@H](CO)COCC(F)F 34a_100000743014_100000059175 [0,1,1,0,0,0|1,1,0]=4 533 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [0,1,1,0,0,0|1,1,0]=4 534 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [0,1,1,0,0,0|2,0,0]=4 535 B9R0.1 C[C@@H](Cl)COCC(O)CO 34a_100016084084_100011219619 [0,1,1,0,0,0|0,1,0]=3 536 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CF 34a_100016084084_100015614560 [0,1,1,0,0,0|1,1,0]=4 537 B9R0.1 C[C@@H](Cl)COC[C@@H](O)CO 34a_100016084084_100009815848 [0,1,1,0,0,0|0,1,0]=3 538 B9R0.1 C[C@@H](N)COCC(O)CO 34a_100000737577_100011219619 [0,1,1,0,0,0|1,0,0]=3 539 B9R0.1 C[C@@H](N)COC[C@@H](O)CF 34a_100000737577_100015614560 [0,1,1,0,0,0|2,0,0]=4 540 B9R0.1 C[C@@H](N)COC[C@@H](O)CO 34a_100000737577_100009815848 [0,1,1,0,0,0|1,0,0]=3 541 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [0,1,1,0,0,0|2,0,0]=4 542 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [0,1,1,0,0,0|1,1,0]=4 543 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [0,1,1,0,0,0|1,1,0]=4 544 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [0,1,1,0,0,0|1,1,0]=4 545 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [0,1,1,0,0,0|1,1,0]=4 546 B9R0.1 OCC(O)CNCC(F)F 34a_100000765723_100011219619 [0,1,1,0,0,0|1,1,0]=4 547 B9R0.1 OCC(O)COCC(F)F 34a_100000743014_100011219619 [0,1,1,0,0,0|0,1,0]=3 548 B9R0.1 OCC(O)CSCC(F)F 62a_100011219619_100011934356 [0,1,1,0,0,0|0,2,0]=4 549 B9R0.1 OCC(O)CSCC(F)F 62a_100011934356_100011219619 [0,1,1,0,0,0|0,2,0]=4 550 B9R0.1 OC[C@@H](O)CNCC(F)F 2230a_100020644852_100011934356 [0,1,1,0,0,0|1,1,0]=4 551 B9R0.1 OC[C@H](O)CNCC(F)F 34a_100000765723_100009815848 [0,1,1,0,0,0|1,1,0]=4 552 B9R0.1 OC[C@H](O)COCC(F)F 34a_100000743014_100009815848 [0,1,1,0,0,0|0,1,0]=3 553 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100009815848_100011934356 [0,1,1,0,0,0|0,2,0]=4 554 B9R0.1 OC[C@H](O)CSCC(F)F 62a_100011934356_100009815848 [0,1,1,0,0,0|0,2,0]=4 555 B9R0.1 O[C@@H](CF)COCC(F)F 34a_100000743014_100015614560 [0,1,1,0,0,0|1,1,0]=4 556 B9R0.5 C#CCC(C)OCCCO 34a_100000685586_100000230001 [0,1,1,0,0,0|2,0,0]=4 557 B9R0.5 C#CCC(C)OCCCO 7a_100000685586_100011215043 [0,1,1,0,0,0|2,0,0]=4 558 B9R0.5 C#CCOCC(O)COC 34a_100000210247_100011215053 [0,1,1,0,0,0|1,0,1]=4 559 B9R0.5 C=CCOCC(O)COC 34a_200000210373_100011215053 [0,1,1,0,0,0|1,0,1]=4 560 B9R0.5 C=CC[C@@H](C)OCCCO 34a_100000731007_100000230001 [0,1,1,0,0,0|2,0,0]=4 561 B9R0.5 C=CC[C@@H](C)OCCCO 7a_100000731007_100011215043 [0,1,1,0,0,0|2,0,0]=4 562 B9R0.5 CC(CCBr)OCCCO 34a_100012276601_100000230001 [0,1,1,0,0,0|1,1,0]=4 563 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,1,1,0,0,0|2,0,0]=4 564 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,1,1,0,0,0|2,0,0]=4 565 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,1,1,0,0,0|2,0,0]=4 566 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,1,1,0,0,0|2,0,0]=4 567 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,1,1,0,0,0|2,0,0]=4 568 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,1,1,0,0,0|1,0,0]=3 569 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,1,1,0,0,0|1,1,0]=4 570 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,1,1,0,0,0|1,1,0]=4 571 B9R0.5 COCC(N)COCCF 34a_100000724102_100011217306 [0,1,1,0,0,0|1,1,0]=4 572 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [0,1,1,0,0,0|2,0,0]=4 573 B9R0.5 COCC(O)CNCCF 2230a_100000756049_100011217306 [0,1,1,0,0,0|1,1,0]=4 574 B9R0.5 COCC(O)CNCCF 34a_100000724931_100011215053 [0,1,1,0,0,0|1,1,0]=4 575 B9R0.5 COCC(O)CNCCF 34a_100000756049_100011217306 [0,1,1,0,0,0|1,1,0]=4 576 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [0,1,1,0,0,0|2,0,0]=4 577 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [0,1,1,0,0,0|2,0,0]=4 578 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [0,1,1,0,0,0|2,0,0]=4 579 B9R0.5 COCC(O)COCCBr 34a_100000211926_100011215053 [0,1,1,0,0,0|0,1,0]=3 580 B9R0.5 COCC(O)COCCN 34a_100000210304_100011215053 [0,1,1,0,0,0|1,0,0]=3 581 B9R0.5 COCC(O)CSCCF 62a_100011215053_100011217306 [0,1,1,0,0,0|0,2,0]=4 582 B9R0.5 COCC(O)CSCCF 62a_100011217306_100011215053 [0,1,1,0,0,0|0,2,0]=4 583 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [0,1,1,0,0,0|1,1,0]=4 584 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [0,1,1,0,0,0|1,1,0]=4 585 B9R0.5 COC[C@@H](C)OCCCO 34a_100011934205_100000230001 [0,1,1,0,0,0|2,0,0]=4 586 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,1,0,0,0|2,0,0]=4 587 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,1,1,0,0,0|2,0,0]=4 588 B9R0.20 CC(C)(CCl)OCCCO 7a_100000764493_100011215043 [0,1,1,0,0,0|1,1,0]=4 589 B9R0.20 CC(C)(CO)COCCBr 34a_100000211926_100009813988 [0,1,1,0,0,0|1,1,0]=4 590 B9R0.20 CC(C)(CO)COCCN 34a_100000210304_100009813988 [0,1,1,0,0,0|2,0,0]=4 591 B9R0.20 CCC(C)(C)OCCCO 7a_100000210230_100011215043 [0,1,1,0,0,0|2,0,0]=4 592 B9R0.20 CCCOCC(C)(C)CO 34a_100000210258_100009813988 [0,1,1,0,0,0|2,0,0]=4 593 B9R0.24 C#C[C@@H](C)OCC(O)CO 34a_100009815206_100011219619 [0,1,1,0,0,0|1,0,1]=4 594 B9R0.24 C#C[C@@H](C)OCC(O)CO 7a_100009815206_100011219619 [0,1,1,0,0,0|1,0,1]=4 595 B9R0.24 C#C[C@@H](C)OC[C@@H](O)CO 34a_100009815206_100009815848 [0,1,1,0,0,0|1,0,1]=4 596 B9R0.24 C#C[C@@H](C)OC[C@@H](O)CO 7a_100009815206_100009815848 [0,1,1,0,0,0|1,0,1]=4 597 B9R0.24 C=CC(C)OCC(O)CO 34a_100000695699_100011219619 [0,1,1,0,0,0|1,0,1]=4 598 B9R0.24 C=CC(C)OC[C@@H](O)CO 34a_100000695699_100009815848 [0,1,1,0,0,0|1,0,1]=4 599 B9R0.24 CC(C#N)OCC(O)CO 34a_100011218135_100011219619 [0,1,1,0,0,0|1,0,1]=4 600 B9R0.24 CC(C#N)OC[C@@H](O)CO 34a_100011218135_100009815848 [0,1,1,0,0,0|1,0,1]=4 601 B9R0.24 CC(CF)OCC(O)CO 34a_100016041109_100011219619 [0,1,1,0,0,0|0,1,0]=3 602 B9R0.24 CC(CF)OCC(O)CO 7a_100016041109_100011219619 [0,1,1,0,0,0|0,1,0]=3 603 B9R0.24 CC(CF)OC[C@@H](C)CO 34a_100016041109_100000059175 [0,1,1,0,0,0|1,1,0]=4 604 B9R0.24 CC(CF)OC[C@@H](C)CO 7a_100016041109_100000059175 [0,1,1,0,0,0|1,1,0]=4 605 B9R0.24 CC(CF)OC[C@@H](O)CF 34a_100016041109_100015614560 [0,1,1,0,0,0|1,1,0]=4 606 B9R0.24 CC(CF)OC[C@@H](O)CF 7a_100016041109_100015614560 [0,1,1,0,0,0|1,1,0]=4 607 B9R0.24 CC(CF)OC[C@@H](O)CO 34a_100016041109_100009815848 [0,1,1,0,0,0|0,1,0]=3 608 B9R0.24 CC(CF)OC[C@@H](O)CO 7a_100016041109_100009815848 [0,1,1,0,0,0|0,1,0]=3 609 B9R0.24 CC(CN)OCC(O)CO 34a_100000210904_100011219619 [0,1,1,0,0,0|1,0,0]=3 610 B9R0.24 CC(CN)OC[C@@H](C)CO 34a_100000210904_100000059175 [0,1,1,0,0,0|2,0,0]=4 611 B9R0.24 CC(CN)OC[C@@H](O)CF 34a_100000210904_100015614560 [0,1,1,0,0,0|2,0,0]=4 612 B9R0.24 CC(CN)OC[C@@H](O)CO 34a_100000210904_100009815848 [0,1,1,0,0,0|1,0,0]=3 613 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [0,1,1,0,0,0|2,0,0]=4 614 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [0,1,1,0,0,0|1,1,0]=4 615 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [0,1,1,0,0,0|1,1,0]=4 616 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [0,1,1,0,0,0|2,0,0]=4 617 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [0,1,1,0,0,0|2,0,0]=4 618 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [0,1,1,0,0,0|2,0,0]=4 619 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [0,1,1,0,0,0|1,0,0]=3 620 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [0,1,1,0,0,0|2,0,0]=4 621 B9R0.24 CCC(C)OC[C@@H](O)CF 7a_100000210228_100015614560 [0,1,1,0,0,0|2,0,0]=4 622 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [0,1,1,0,0,0|1,0,0]=3 623 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,1,1,0,0,0|1,1,0]=4 624 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,1,1,0,0,0|1,1,0]=4 625 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,1,1,0,0,0|1,1,0]=4 626 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,1,1,0,0,0|1,1,0]=4 627 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,1,1,0,0,0|2,0,0]=4 628 B9R0.24 CCC(O)COC(C)CF 34a_100016041109_100011218378 [0,1,1,0,0,0|1,1,0]=4 629 B9R0.24 CCC(O)COC(C)CF 7a_100016041109_100011218378 [0,1,1,0,0,0|1,1,0]=4 630 B9R0.24 CCC(O)COC(C)CN 34a_100000210904_100011218378 [0,1,1,0,0,0|2,0,0]=4 631 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [0,1,1,0,0,0|2,0,0]=4 632 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [0,1,1,0,0,0|2,0,0]=4 633 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [0,1,1,0,0,0|1,1,0]=4 634 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [0,1,1,0,0,0|1,1,0]=4 635 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [0,1,1,0,0,0|1,1,0]=4 636 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [0,1,1,0,0,0|1,1,0]=4 637 B9R0.34 CC(CF)OC(C)CCO 34a_100016041109_100009893172 [0,1,1,0,0,0|1,1,0]=4 638 B9R0.34 CC(CF)OC(C)CCO 7a_100016041109_100009893172 [0,1,1,0,0,0|1,1,0]=4 639 B9R0.34 CC(CN)OC(C)CCO 34a_100000210904_100009893172 [0,1,1,0,0,0|2,0,0]=4 640 B9R0.34 CCC(C)OC(C)CCO 7a_100000210228_100009893172 [0,1,1,0,0,0|2,0,0]=4 641 B9R0.34 CCCN(C)CC(O)CO 2230a_100000747261_100011219619 [0,1,1,0,0,0|2,0,0]=4 642 B9R0.34 CCCN(C)CC(O)CO 2230a_100011216503_100000210303 [0,1,1,0,0,0|2,0,0]=4 643 B9R0.34 CCCN(C)CC(O)CO 2230a_200000156893_200000210301 [0,1,1,0,0,0|2,0,0]=4 644 B9R0.34 CCCN(C)CC(O)CO 269982a_100011216503_100000210303 [0,1,1,0,0,0|2,0,0]=4 645 B9R0.34 CCCN(C)CC(O)CO 269982a_200000156893_200000210301 [0,1,1,0,0,0|2,0,0]=4 646 B9R0.34 CCCN(C)C[C@@H](O)CO 2230a_100000747261_100009815848 [0,1,1,0,0,0|2,0,0]=4 647 B9R0.34 CCCN([13CH3])CC(O)CO 2230a_200000156893_200025704644 [0,1,1,0,0,0|2,0,0]=4 648 B9R0.34 CCCN([13CH3])CC(O)CO 269982a_200000156893_200025704644 [0,1,1,0,0,0|2,0,0]=4 649 B9R0.34 CN(CCF)CC(O)CO 2230a_100011216503_100011217306 [0,1,1,0,0,0|1,1,0]=4 650 B9R0.34 CN(CCF)CC(O)CO 269982a_100011216503_100011217306 [0,1,1,0,0,0|1,1,0]=4 651 B9R0.34 CN(CCO)CC(O)CO 2230a_100000210263_100011219619 [0,1,1,0,0,0|2,0,0]=4 652 B9R0.34 CN(CCO)CC(O)CO 2230a_100011216503_100000211926 [0,1,1,0,0,0|2,0,0]=4 653 B9R0.34 CN(CCO)CC(O)CO 269982a_100011216503_100000211926 [0,1,1,0,0,0|2,0,0]=4 654 B9R0.34 CN(CCO)C[C@@H](O)CO 2230a_100000210263_100009815848 [0,1,1,0,0,0|2,0,0]=4 655 B9R0.46 C#CCCNCC(O)CO 34a_100000755551_100011219619 [0,1,1,0,0,0|2,0,0]=4 656 B9R0.46 C#CCCNC[C@@H](O)CO 34a_100000755551_100009815848 [0,1,1,0,0,0|2,0,0]=4 657 B9R0.46 C#CCCNC[C@H](O)CO 2230a_100020644852_100000688953 [0,1,1,0,0,0|2,0,0]=4 658 B9R0.46 C#CCCOCC(O)CC 34a_100011215631_100011218378 [0,1,1,0,0,0|2,0,0]=4 659 B9R0.46 C#CCCOCC(O)CO 34a_100011215631_100011219619 [0,1,1,0,0,0|1,0,0]=3 660 B9R0.46 C#CCCOC[C@@H](C)CO 34a_100011215631_100000059175 [0,1,1,0,0,0|2,0,0]=4 661 B9R0.46 C#CCCOC[C@@H](O)CF 34a_100011215631_100015614560 [0,1,1,0,0,0|2,0,0]=4 662 B9R0.46 C#CCCOC[C@@H](O)CO 34a_100011215631_100009815848 [0,1,1,0,0,0|1,0,0]=3 663 B9R0.46 C#CCCSCC(O)CO 62a_100000688953_100011219619 [0,1,1,0,0,0|1,1,0]=4 664 B9R0.46 C#CCCSCC(O)CO 62a_100011219619_100000688953 [0,1,1,0,0,0|1,1,0]=4 665 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100000688953_100009815848 [0,1,1,0,0,0|1,1,0]=4 666 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100009815848_100000688953 [0,1,1,0,0,0|1,1,0]=4 667 B9R0.46 C/C=C/COCC(O)CO 34a_100016270725_100011219619 [0,1,1,0,0,0|1,0,1]=4 668 B9R0.46 C/C=C/COC[C@@H](O)CO 34a_100016270725_100009815848 [0,1,1,0,0,0|1,0,1]=4 669 B9R0.46 C=CCCNCC(O)CO 2230a_100015191253_100011219619 [0,1,1,0,0,0|2,0,0]=4 670 B9R0.46 C=CCCNC[C@@H](O)CO 2230a_100015191253_100009815848 [0,1,1,0,0,0|2,0,0]=4 671 B9R0.46 C=CCCNC[C@H](O)CO 2230a_100020644852_100000754431 [0,1,1,0,0,0|2,0,0]=4 672 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [0,1,1,0,0,0|2,0,0]=4 673 B9R0.46 C=CCCOCC(O)CO 34a_100011205117_100011219619 [0,1,1,0,0,0|1,0,0]=3 674 B9R0.46 C=CCCOC[C@@H](C)CO 34a_100011205117_100000059175 [0,1,1,0,0,0|2,0,0]=4 675 B9R0.46 C=CCCOC[C@@H](O)CF 34a_100011205117_100015614560 [0,1,1,0,0,0|2,0,0]=4 676 B9R0.46 C=CCCOC[C@@H](O)CO 34a_100011205117_100009815848 [0,1,1,0,0,0|1,0,0]=3 677 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [0,1,1,0,0,0|1,1,0]=4 678 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [0,1,1,0,0,0|1,1,0]=4 679 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [0,1,1,0,0,0|1,1,0]=4 680 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [0,1,1,0,0,0|1,1,0]=4 681 B9R0.46 CC#CCOCC(O)CO 34a_100000761923_100011219619 [0,1,1,0,0,0|1,0,1]=4 682 B9R0.46 CC#CCOC[C@@H](O)CO 34a_100000761923_100009815848 [0,1,1,0,0,0|1,0,1]=4 683 B9R0.46 CC(CF)OCCCCO 34a_100016041109_100011216708 [0,1,1,0,0,0|1,1,0]=4 684 B9R0.46 CC(CF)OCCCCO 7a_100016041109_100000210776 [0,1,1,0,0,0|1,1,0]=4 685 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [0,1,1,0,0,0|2,0,0]=4 686 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [0,1,1,0,0,0|2,0,0]=4 687 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [0,1,1,0,0,0|2,0,0]=4 688 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,1,1,0,0,0|2,0,0]=4 689 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,1,1,0,0,0|2,0,0]=4 690 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,1,1,0,0,0|2,0,0]=4 691 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,1,1,0,0,0|2,0,0]=4 692 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,1,1,0,0,0|1,1,0]=4 693 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,1,1,0,0,0|1,1,0]=4 694 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,1,1,0,0,0|1,1,0]=4 695 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,1,1,0,0,0|2,0,0]=4 696 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,1,1,0,0,0|2,0,0]=4 697 B9R0.46 CCC(O)COCCON 34a_100000700252_100011218378 [0,1,1,0,0,0|2,0,0]=4 698 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,1,1,0,0,0|2,0,0]=4 699 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,1,1,0,0,0|2,0,0]=4 700 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,1,1,0,0,0|1,1,0]=4 701 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,1,1,0,0,0|1,1,0]=4 702 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,1,1,0,0,0|2,0,0]=4 703 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,1,1,0,0,0|2,0,0]=4 704 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,1,1,0,0,0|2,0,0]=4 705 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,1,1,0,0,0|2,0,0]=4 706 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,1,1,0,0,0|2,0,0]=4 707 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,1,0,0,0|2,0,0]=4 708 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,1,0,0,0|2,0,0]=4 709 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,1,0,0,0|1,0,0]=3 710 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,1,0,0,0|1,0,0]=3 711 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,1,1,0,0,0|2,0,0]=4 712 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,1,1,0,0,0|2,0,0]=4 713 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,1,1,0,0,0|1,1,0]=4 714 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,1,1,0,0,0|1,1,0]=4 715 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,1,0,0,0|1,0,0]=3 716 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,1,0,0,0|1,0,0]=3 717 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,1,1,0,0,0|1,1,0]=4 718 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,1,1,0,0,0|1,1,0]=4 719 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,1,1,0,0,0|1,1,0]=4 720 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,1,1,0,0,0|1,1,0]=4 721 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,1,1,0,0,0|1,1,0]=4 722 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,1,1,0,0,0|1,1,0]=4 723 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,1,1,0,0,0|1,1,0]=4 724 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,1,1,0,0,0|1,1,0]=4 725 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,1,1,0,0,0|2,0,0]=4 726 B9R0.46 COCCCOC(C)CF 34a_100016041109_100000740836 [0,1,1,0,0,0|1,1,0]=4 727 B9R0.46 COCCCOC(C)CF 7a_100016041109_100000740836 [0,1,1,0,0,0|1,1,0]=4 728 B9R0.46 COCCCOC(C)CN 34a_100000210904_100000740836 [0,1,1,0,0,0|2,0,0]=4 729 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [0,1,1,0,0,0|2,0,0]=4 730 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,1,1,0,0,0|2,0,0]=4 731 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,1,1,0,0,0|2,0,0]=4 732 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,1,1,0,0,0|2,0,0]=4 733 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,1,1,0,0,0|1,0,0]=3 734 B9R0.46 COCCOC[C@@H](C)CO 34a_100000210237_100000059175 [0,1,1,0,0,0|2,0,0]=4 735 B9R0.46 COCCOC[C@@H](O)CF 34a_100000210237_100015614560 [0,1,1,0,0,0|2,0,0]=4 736 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,1,1,0,0,0|1,0,0]=3 737 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,1,1,0,0,0|1,1,0]=4 738 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,1,1,0,0,0|1,1,0]=4 739 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,1,1,0,0,0|1,1,0]=4 740 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,1,1,0,0,0|1,1,0]=4 741 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [0,1,1,0,0,0|2,0,0]=4 742 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [0,1,1,0,0,0|2,0,0]=4 743 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [0,1,1,0,0,0|2,0,0]=4 744 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [0,1,1,0,0,0|1,0,0]=3 745 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [0,1,1,0,0,0|1,0,0]=3 746 B9R0.46 CSCCOC[C@@H](C)CO 34a_100000230434_100000059175 [0,1,1,0,0,0|2,0,0]=4 747 B9R0.46 CSCCOC[C@@H](C)CO 7a_100000230434_100000059175 [0,1,1,0,0,0|2,0,0]=4 748 B9R0.46 CSCCOC[C@@H](O)CF 34a_100000230434_100015614560 [0,1,1,0,0,0|2,0,0]=4 749 B9R0.46 CSCCOC[C@@H](O)CF 7a_100000230434_100015614560 [0,1,1,0,0,0|2,0,0]=4 750 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [0,1,1,0,0,0|1,0,0]=3 751 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [0,1,1,0,0,0|1,0,0]=3 752 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,1,1,0,0,0|1,1,0]=4 753 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,1,1,0,0,0|1,1,0]=4 754 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,1,1,0,0,0|1,1,0]=4 755 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,1,1,0,0,0|1,1,0]=4 756 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [0,1,1,0,0,0|1,1,0]=4 757 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [0,1,1,0,0,0|1,1,0]=4 758 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [0,1,1,0,0,0|1,1,0]=4 759 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [0,1,1,0,0,0|2,0,0]=4 760 B9R0.46 C[C@@H](CO)COCCON 34a_100000700252_100000059175 [0,1,1,0,0,0|2,0,0]=4 761 B9R0.46 N#CCCNC[C@H](O)CO 2230a_100020644852_100011215226 [0,1,1,0,0,0|2,0,0]=4 762 B9R0.46 N#CCCSCC(O)CO 62a_100011215226_100011219619 [0,1,1,0,0,0|1,1,0]=4 763 B9R0.46 N#CCCSCC(O)CO 62a_100011219619_100011215226 [0,1,1,0,0,0|1,1,0]=4 764 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100009815848_100011215226 [0,1,1,0,0,0|1,1,0]=4 765 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100011215226_100009815848 [0,1,1,0,0,0|1,1,0]=4 766 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [0,1,1,0,0,0|1,0,0]=3 767 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [0,1,1,0,0,0|1,1,0]=4 768 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [0,1,1,0,0,0|1,0,0]=3 769 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [0,1,1,0,0,0|2,0,0]=4 770 B9R0.46 NOCCOCC(O)CO 34a_100000700252_100011219619 [0,1,1,0,0,0|1,0,0]=3 771 B9R0.46 NOCCOC[C@@H](O)CF 34a_100000700252_100015614560 [0,1,1,0,0,0|2,0,0]=4 772 B9R0.46 NOCCOC[C@@H](O)CO 34a_100000700252_100009815848 [0,1,1,0,0,0|1,0,0]=3 773 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [0,1,1,0,0,0|1,1,0]=4 774 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [0,1,1,0,0,0|1,1,0]=4 775 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [0,1,1,0,0,0|0,1,0]=3 776 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [0,1,1,0,0,0|0,1,0]=3 777 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [0,1,1,0,0,0|0,1,0]=3 778 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,1,1,0,0,0|0,2,0]=4 779 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,1,1,0,0,0|0,2,0]=4 780 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,1,1,0,0,0|2,0,0]=4 781 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [0,1,1,0,0,0|1,1,0]=4 782 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,1,1,0,0,0|1,1,0]=4 783 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,1,1,0,0,0|1,1,0]=4 784 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,1,1,0,0,0|0,2,0]=4 785 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,1,1,0,0,0|0,2,0]=4 786 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,1,1,0,0,0|1,1,0]=4 787 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,1,1,0,0,0|1,1,0]=4 788 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [0,1,1,0,0,0|1,1,0]=4 789 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [0,1,1,0,0,0|1,1,0]=4 790 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [0,1,1,0,0,0|1,1,0]=4 791 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [0,1,1,0,0,0|0,1,0]=3 792 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [0,1,1,0,0,0|0,1,0]=3 793 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [0,1,1,0,0,0|0,1,0]=3 794 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,1,1,0,0,0|0,2,0]=4 795 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,1,1,0,0,0|0,2,0]=4 796 B9R0.46 O[C@@H](CF)COCCCBr 34a_100011217188_100015614560 [0,1,1,0,0,0|1,1,0]=4 797 B9R0.46 O[C@@H](CF)COCCCCl 34a_100000230001_100015614560 [0,1,1,0,0,0|1,1,0]=4 798 B9R0.46 O[C@@H](CF)COCCCF 34a_100000759539_100015614560 [0,1,1,0,0,0|1,1,0]=4 799 B9R0.47 CC(C)C(C)OCCCO 7a_100000748068_100011215043 [0,1,1,0,0,0|2,0,0]=4 800 B9R0.50 C#CC(CC)OCCCO 34a_100000758843_100000230001 [0,1,1,0,0,0|2,0,0]=4 801 B9R0.50 C#CC(CC)OCCCO 7a_100000758843_100011215043 [0,1,1,0,0,0|2,0,0]=4 802 B9R0.50 C=CC(CC)OCCCO 34a_100000766422_100000230001 [0,1,1,0,0,0|2,0,0]=4 803 B9R0.50 C=CC(CC)OCCCO 7a_100000766422_100011215043 [0,1,1,0,0,0|2,0,0]=4 804 B9R0.50 CCC(CC)OCCCO 7a_100000688536_100011215043 [0,1,1,0,0,0|2,0,0]=4 805 B9R0.50 CCC(COCCF)OC 34a_100011934954_100011217306 [0,1,1,0,0,0|1,1,0]=4 806 B9R0.50 CCC(COCCF)OC 7a_100011934954_100011217306 [0,1,1,0,0,0|1,1,0]=4 807 B9R0.50 CCC(COCCO)OC 34a_100011934954_100000211926 [0,1,1,0,0,0|2,0,0]=4 808 B9R0.50 CCC(COCCO)OC 7a_100011934954_100000211926 [0,1,1,0,0,0|2,0,0]=4 809 B9R0.50 CCCOCC(CC)OC 34a_100011934954_100000210303 [0,1,1,0,0,0|2,0,0]=4 810 B9R0.50 CCCOCC(CC)OC 7a_100011934954_100000210303 [0,1,1,0,0,0|2,0,0]=4 811 B9R0.50 CC[C@@H](CO)NCCCO 2230a_100000709445_100000230001 [0,1,1,0,0,0|2,0,0]=4 812 B9R0.50 NCC(CN)OCCCO 34a_100000031598_100000230001 [0,1,1,0,0,0|2,0,0]=4 813 B9R0.50 OCCCNC(CO)CO 2230a_100000759517_100000230001 [0,1,1,0,0,0|2,0,0]=4 814 B9R0.50 OCCCOC(CCl)CCl 7a_100000737055_100011215043 [0,1,1,0,0,0|1,1,0]=4 815 B9R0.50 OCCCOC(CF)CF 34a_100000032261_100000230001 [0,1,1,0,0,0|1,1,0]=4 816 B9R0.50 OCCCOC(CF)CF 7a_100000032261_100011215043 [0,1,1,0,0,0|1,1,0]=4 817 B9R0.50 OCCCO[C@@H](CF)CCl 34a_100015614560_100000230001 [0,1,1,0,0,0|1,1,0]=4 818 B9R0.50 OCCCO[C@@H](CF)CCl 7a_100015614560_100011215043 [0,1,1,0,0,0|1,1,0]=4 819 B9R0.13 CC(C)C(CN)OCCO 34a_100000759067_100000211926 [0,1,1,0,0,0|2,0,0]=4 820 B9R0.13 CCC(OCCO)C(C)C 34a_100011218073_100000211926 [0,1,1,0,0,0|2,0,0]=4 821 B9R0.13 CCC(OCCO)C(C)C 7a_100011218073_100000211926 [0,1,1,0,0,0|2,0,0]=4 822 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210303 [0,1,1,0,0,0|2,0,0]=4 823 B9R0.13 CCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210303 [0,1,1,0,0,0|2,0,0]=4 824 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 2230a_100015196842_100011217306 [0,1,1,0,0,0|1,1,0]=4 825 B9R0.13 C[C@@H](O)[C@@H](CO)NCCF 34a_100015196842_100011217306 [0,1,1,0,0,0|1,1,0]=4 826 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 2230a_100015196842_100000211926 [0,1,1,0,0,0|2,0,0]=4 827 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 34a_100015196842_100000211926 [0,1,1,0,0,0|2,0,0]=4 828 B9R0.26 CC(CO)NC(CO)CO 2230a_100000759517_100012180447 [0,1,1,0,0,0|2,0,0]=4 829 B9R0.26 CCC(C)NC(CO)CO 2230a_100000759517_100000758301 [0,1,1,0,0,0|2,0,0]=4 830 B9R0.26 CCC(CC)OC(C)CO 7a_100000688536_100012180447 [0,1,1,0,0,0|2,0,0]=4 831 B9R0.37 CCC(OC)C(=O)CCO 1458a_100000747056_100000211926 [0,1,1,0,0,0|2,0,0]=4 832 B9R0.40 C#CCC(CC)OCCO 34a_200011217983_100000211926 [0,1,1,0,0,0|2,0,0]=4 833 B9R0.40 C#CCC(CC)OCCO 7a_200011217983_100000211926 [0,1,1,0,0,0|2,0,0]=4 834 B9R0.40 CC#CC(CC)OCCO 34a_200011219922_100000211926 [0,1,1,0,0,0|2,0,0]=4 835 B9R0.40 CC#CC(CC)OCCO 7a_200011219922_100000211926 [0,1,1,0,0,0|2,0,0]=4 836 B9R0.40 CCC(COC)NCCO 2230a_100000757820_100000211926 [0,1,1,0,0,0|2,0,0]=4 837 B9R0.40 CCC(COC)NCCO 270004a_100000210304_100000757811 [0,1,1,0,0,0|2,0,0]=4 838 B9R0.40 CCC(COC)OCCF 7a_200011214946_100011217306 [0,1,1,0,0,0|1,1,0]=4 839 B9R0.40 CCC(COC)OCCO 7a_200011214946_100000211926 [0,1,1,0,0,0|1,0,0]=3 840 B9R0.40 CCCC(CC)OCCO 34a_100000687864_100000211926 [0,1,1,0,0,0|2,0,0]=4 841 B9R0.40 CCCC(CC)OCCO 7a_100000687864_100000211926 [0,1,1,0,0,0|2,0,0]=4 842 B9R0.40 CCCNC(CO)COC 2230a_100000724102_100000210303 [0,1,1,0,0,0|2,0,0]=4 843 B9R0.40 CCCNC(CO)COC 34a_100000724102_100000210303 [0,1,1,0,0,0|2,0,0]=4 844 B9R0.40 CCCOC(CC)COC 7a_200011214946_100000210303 [0,1,1,0,0,0|2,0,0]=4 845 B9R0.40 CCCOC(CCl)COC 34a_100011215053_100000210303 [0,1,1,0,0,0|1,1,0]=4 846 B9R0.40 CCCOC(CN)COC 34a_100000756049_100000210303 [0,1,1,0,0,0|2,0,0]=4 847 B9R0.40 COCC(CCl)OCCF 34a_100011215053_100011217306 [0,1,1,0,0,0|1,1,0]=4 848 B9R0.40 COCC(CCl)OCCO 34a_100011215053_100000211926 [0,1,1,0,0,0|0,1,0]=3 849 B9R0.40 COCC(CN)OCCF 34a_100000756049_100011217306 [0,1,1,0,0,0|1,1,0]=4 850 B9R0.40 COCC(CN)OCCO 34a_100000756049_100000211926 [0,1,1,0,0,0|1,0,0]=3 851 B9R0.40 COCC(CO)NCCF 2230a_100000724102_100011217306 [0,1,1,0,0,0|1,1,0]=4 852 B9R0.40 COCC(CO)NCCF 34a_100000724102_100011217306 [0,1,1,0,0,0|1,1,0]=4 853 B9R0.40 COCC(CO)NCCO 2230a_100000724102_100000211926 [0,1,1,0,0,0|2,0,0]=4 854 B9R0.40 COCC(CO)NCCO 34a_100000724102_100000211926 [0,1,1,0,0,0|2,0,0]=4 855 B9R0.43 CC(C)CNC(CO)CO 2230a_100000759517_100000210760 [0,1,1,0,0,0|2,0,0]=4 856 B9R0.43 CC(O)CNC(CO)CO 2230a_100000759517_100011218427 [0,1,1,0,0,0|2,0,0]=4 857 B9R0.43 CCC(CC)OCC(C)O 7a_100000688536_100011218427 [0,1,1,0,0,0|2,0,0]=4 858 B9R0.43 CCC(CC)OC[C@@H](C)O 7a_100000688536_100009817552 [0,1,1,0,0,0|2,0,0]=4 859 B9R0.43 C[C@@H](O)CNC(CO)CO 2230a_100000759517_100009817552 [0,1,1,0,0,0|2,0,0]=4 860 B9R0.43 OCC(CO)NCC(F)F 2230a_100000759517_100011934356 [0,1,1,0,0,0|1,1,0]=4 861 B9R0.67 CCC(C)(CC)OCCO 7a_100000755174_100000211926 [0,1,1,0,0,0|2,0,0]=4 862 B9R0.22 CC(CO)OC(C)(C)CCl 7a_100000764493_100012180447 [0,1,1,0,0,0|1,1,0]=4 863 B9R0.22 CCC(C)(C)OC(C)CO 7a_100000210230_100012180447 [0,1,1,0,0,0|2,0,0]=4 864 B9R0.42 CC(CO)OC(C)C(C)C 7a_100000748068_100012180447 [0,1,1,0,0,0|2,0,0]=4 865 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [1,1,0,0,0,0|1,0,1]=4 866 B9R1.58 CCNC1CC(C1)CO 270004a_100015525214_100000101936 [0,1,0,0,1,0|2,0,0]=4 867 B9R1.58 CCSC1CC(C1)CO 62a_100000210202_100009874164 [0,1,0,0,1,0|2,0,0]=4 868 B9R1.58 CCSC1CC(C1)CO 62a_100009874164_100000210202 [0,1,0,0,1,0|2,0,0]=4 869 B9R1.58 OCC1CC(C1)SCF 62a_100009874164_100015361967 [0,1,0,0,1,0|1,1,0]=4 870 B9R1.58 OCC1CC(C1)SCF 62a_100015361967_100009874164 [0,1,0,0,1,0|1,1,0]=4 871 B9R1.17 BrCCOCC1CCO1 34a_100000211926_100000103362 [0,0,1,1,0,0|1,1,0]=4 872 B9R1.17 BrCCOCC1COC1 34a_100000211926_100010264016 [0,0,1,1,0,0|1,1,0]=4 873 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,0,1,1,0,0|2,0,0]=4 874 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,0,1,1,0,0|2,0,0]=4 875 B9R1.17 CCCOCC1COC1 34a_100000060846_100000210303 [0,0,1,1,0,0|2,0,0]=4 876 B9R1.17 CCCOCC1COC1 34a_100000210258_100010264016 [0,0,1,1,0,0|2,0,0]=4 877 B9R1.17 FCCOCC1CCO1 34a_100000039022_100011217306 [0,0,1,1,0,0|1,1,0]=4 878 B9R1.17 FCCOCC1COC1 34a_100000060846_100011217306 [0,0,1,1,0,0|1,1,0]=4 879 B9R1.17 NCCOCC1CCO1 34a_100000210304_100000103362 [0,0,1,1,0,0|2,0,0]=4 880 B9R1.17 NCCOCC1COC1 34a_100000210304_100010264016 [0,0,1,1,0,0|2,0,0]=4 881 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [0,0,1,1,0,0|2,0,0]=4 882 B9R1.17 OCCCOC1CSC1 7a_100000072292_100011215043 [0,0,1,1,0,0|2,0,0]=4 883 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [0,0,1,1,0,0|2,0,0]=4 884 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [0,0,1,1,0,0|2,0,0]=4 885 B9R1.80 CC(CF)OCC1CO1 34a_100016041109_102125554688 [0,0,1,1,0,0|1,1,0]=4 886 B9R1.80 CC(CF)OCC1CO1 7a_100016041109_102125554688 [0,0,1,1,0,0|1,1,0]=4 887 B9R1.80 CC(CF)OC[C@@H]1CO1 7a_100016041109_100000745022 [0,0,1,1,0,0|1,1,0]=4 888 B9R1.80 CC(CN)OCC1CO1 34a_100000210904_102125554688 [0,0,1,1,0,0|2,0,0]=4 889 B9R1.80 CC(CO)OC[C@@H]1CO1 34a_100000757423_100012180447 [0,0,1,1,0,0|2,0,0]=4 890 B9R1.80 CCC(C)OCC1CO1 7a_100000210228_102125554688 [0,0,1,1,0,0|2,0,0]=4 891 B9R1.80 CCC(C)OC[C@@H]1CO1 34a_100000757423_100011215416 [0,0,1,1,0,0|2,0,0]=4 892 B9R1.80 CCC(C)OC[C@@H]1CO1 7a_100000210228_100000745022 [0,0,1,1,0,0|2,0,0]=4 893 B9R1.80 OCC(O)CNC1CC1 34a_100000212008_100011219619 [0,0,1,1,0,0|2,0,0]=4 894 B9R1.80 OCC(O)CSC1CC1 62a_100011219619_100000211595 [0,0,1,1,0,0|1,1,0]=4 895 B9R1.80 OC[C@H](O)CNC1CC1 34a_100000212008_100009815848 [0,0,1,1,0,0|2,0,0]=4 896 B9R1.80 OC[C@H](O)CSC1CC1 62a_100009815848_100000211595 [0,0,1,1,0,0|1,1,0]=4 897 B9R1.99 CC1(CC1)OCCCO 7a_100011725673_100011215043 [0,0,1,1,0,0|2,0,0]=4 898 B9R1.99 CC1(CO1)COCCBr 34a_100000211926_100000760498 [0,0,1,1,0,0|1,1,0]=4 899 B9R1.99 CC1(CO1)COCCN 34a_100000210304_100000760498 [0,0,1,1,0,0|2,0,0]=4 900 B9R1.99 CCCOCC1(CO1)C 34a_100000210258_100000760498 [0,0,1,1,0,0|2,0,0]=4 901 B9R1.12 BrCCOC1CCOC1 34a_100000211926_100000690089 [0,0,1,1,0,0|1,1,0]=4 902 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,0,1,1,0,0|2,0,0]=4 903 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [0,0,1,1,0,0|2,0,0]=4 904 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [0,0,1,1,0,0|2,0,0]=4 905 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [0,0,1,1,0,0|2,0,0]=4 906 B9R1.12 FCCO[C@H]1CCOC1 34a_100000717292_100011217306 [0,0,1,1,0,0|1,1,0]=4 907 B9R1.12 NCCOC1CCOC1 34a_100000210304_100000690089 [0,0,1,1,0,0|2,0,0]=4 908 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [0,0,1,1,0,0|2,0,0]=4 909 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [0,0,1,1,0,0|2,0,0]=4 910 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,0,1,1,0,0|1,0,0]=3 911 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [0,0,1,1,0,0|2,0,0]=4 912 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [0,0,1,1,0,0|2,0,0]=4 913 B9R1.113 CC(CO)OC1(CC1)C 7a_100011725673_100012180447 [0,0,1,1,0,0|2,0,0]=4 914 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [1,0,0,0,1,0|2,0,0]=4 915 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [1,0,0,0,1,0|2,0,0]=4 916 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [1,0,0,0,1,0|2,0,0]=4 917 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [1,0,0,0,1,0|2,0,0]=4