0 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,0,0|1,1,2]=4 3 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,0,0|1,1,2]=4 4 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,0,0|2,1,1]=4 14 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,0,0|2,1,1]=4 15 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,0,0,0,0,0|2,1,0]=3 22 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,0,0,0,0,0|1,1,0]=2 35 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,0,0,0,0,0|1,1,0]=2 36 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,0,0,0,0|1,0,0]=1 37 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,0,0,0,0|1,0,0]=1 38 B7R0.6 CC(C)NCC(F)F 2230a_100138425928_100011934356 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.6 CC(C)NCC(F)F 34a_100000765723_100000210206 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.6 CC(C)NCC(F)F 34a_100138425928_100011934356 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,0,0|2,1,1]=4 44 B7R0.6 CC(C)OCC(F)F 34a_100000212225_100011934356 [0,0,0,0,0,0|3,1,0]=4 45 B7R0.6 CC(C)OCC(F)F 34a_100000743014_100000210206 [0,0,0,0,0,0|3,1,0]=4 46 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,0,0,0,0,0|2,1,0]=3 47 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,0,0,0,0,0|2,1,0]=3 48 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,0,0,0,0,0|2,1,0]=3 49 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,0,0,0,0,0|2,1,0]=3 50 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,0,0|2,1,0]=3 51 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.6 CC(C)SCC(F)F 62a_100000210206_100011934356 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.6 CC(C)SCC(F)F 62a_100011934356_100000210206 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,0,0|2,0,0]=2 59 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,0,0|2,0,0]=2 60 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,0,0,0,0,0|4,0,0]=4 61 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,0,0,0,0,0|2,1,0]=3 62 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,0,0,0,0|4,0,0]=4 63 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,0,0,0,0|4,0,0]=4 64 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,0,0|3,0,0]=3 65 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,0,0|2,1,0]=3 69 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,0,0|2,0,0]=2 70 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,0,0|2,0,0]=2 71 B7R0.6 CN(C)CCN(C)C 269982a_100000225618_200000210301 [0,0,0,0,0,0|4,0,0]=4 72 B7R0.6 CN(C)CCN(C)C 269982a_100102631434_100000755713 [0,0,0,0,0,0|4,0,0]=4 73 B7R0.6 CN(C)CCN(C)[13CH3] 269982a_100000225618_200025704644 [0,0,0,0,0,0|4,0,0]=4 74 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [1,0,0,0,0,0|1,0,2]=4 75 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|1,0,2]=4 77 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,0,0,0,0|2,1,0]=4 85 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,0,0,0,0,0|2,1,0]=4 95 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,0,0,0,0,0|2,1,0]=4 96 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,0,0,0,0,0|2,1,0]=4 97 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,0,0,0,0|2,1,0]=4 98 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,0,0,0,0,0|2,1,0]=4 99 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,0,0,0,0,0|2,1,0]=4 100 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,0,0,0,0,0|3,0,0]=4 109 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,0,0,0,0,0|3,0,0]=4 110 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|1,1,0]=3 120 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|1,1,0]=3 121 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|1,0,0]=2 122 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|1,0,0]=2 123 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,0,0,0,0|2,1,0]=4 132 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|1,1,0]=3 133 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|1,1,0]=3 134 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,0,0,0,0|2,1,0]=4 135 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|2,1,0]=4 136 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,0,0,0,0|2,1,0]=4 137 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,0,0,0,0|2,1,0]=4 138 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,0,0,0,0|2,1,0]=4 139 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|2,1,0]=4 140 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,0,0,0,0|1,0,0]=2 143 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,0,0,0,0|1,0,0]=2 144 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|2,0,0]=3 149 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|2,0,0]=3 150 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,0,0,0,0|3,0,0]=4 151 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,0,0,0,0,0|2,1,0]=4 155 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,0,0,0,0,0|2,1,0]=4 156 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|3,0,0]=4 157 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,0,0,0,0,0|2,1,0]=4 161 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,0,0,0,0,0|2,0,0]=3 162 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,0,0,0,0,0|2,0,0]=3 163 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,0,0,0,0,0|3,0,0]=4 166 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,0,0,0,0,0|2,1,0]=4 168 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,0,0,0,0,0|2,1,0]=4 169 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,0,0,0,0,0|2,1,0]=4 170 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,0,0,0,0,0|2,0,0]=3 171 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,0,0,0,0,0|2,0,0]=3 172 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,0,0,0,0,0|3,0,0]=4 174 B8R0.9 C#CC(C)NCC(C)C 2230a_100000707721_100000210760 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.9 C#CC(C)NCC(C)C 270004a_100000707721_100000210432 [0,1,0,0,0,0|2,0,1]=4 176 B8R0.9 C#CC(C)NCC(C)C 34a_100000210953_200000035995 [0,1,0,0,0,0|2,0,1]=4 177 B8R0.9 C#CC(C)NCC(C)C 34a_100000707721_100000210624 [0,1,0,0,0,0|2,0,1]=4 178 B8R0.9 C#CC(C)OCC(C)C 34a_100000210257_200000035995 [0,1,0,0,0,0|1,1,1]=4 179 B8R0.9 C#CC(C)SCC(C)C 62a_200000035995_100000210760 [0,1,0,0,0,0|1,0,1]=3 180 B8R0.9 C#CC(C)SCC(C)O 62a_200000035995_100011218427 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.9 C#CC(C)SC[C@@H](C)O 62a_200000035995_100009817552 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.9 C#C[C@@H](C)OCC(C)C 34a_100009815206_100000210624 [0,1,0,0,0,0|1,1,1]=4 183 B8R0.9 C#C[C@@H](C)OCC(C)C 7a_100009815206_100000210760 [0,1,0,0,0,0|1,1,1]=4 184 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,1,0,0,0,0|1,0,2]=4 185 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,1,0,0,0,0|1,0,2]=4 186 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [0,1,0,0,0,0|1,0,2]=4 187 B8R0.9 C=C(C)CSC(C)OC 62a_100000748629_100009879195 [0,1,0,0,0,0|1,0,2]=4 188 B8R0.9 C=C(C)CSC(C)OC 62a_100009879195_100000211660 [0,1,0,0,0,0|1,0,2]=4 189 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [0,1,0,0,0,0|1,0,2]=4 190 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [0,1,0,0,0,0|1,0,2]=4 191 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [0,1,0,0,0,0|1,1,1]=4 192 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [0,1,0,0,0,0|1,1,1]=4 193 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [0,1,0,0,0,0|1,1,1]=4 194 B8R0.9 C=CC(C)SCC(C)C 62a_100011215867_100000210760 [0,1,0,0,0,0|1,0,1]=3 195 B8R0.9 C=CC(C)SCC(C)O 62a_100011215867_100011218427 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.9 C=CC(C)SC[C@@H](C)O 62a_100011215867_100009817552 [0,1,0,0,0,0|2,0,1]=4 197 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [0,1,0,0,0,0|2,0,1]=4 199 B8R0.9 CC(=NNC(C)C)CF 4a_100000741168_100000039719 [0,1,0,0,0,0|2,0,1]=4 200 B8R0.9 CC(=NNC(C)C)CO 4a_100000741168_100000211253 [0,1,0,0,0,0|2,0,1]=4 201 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,1,0,0,0,0|2,1,0]=4 202 B8R0.9 CC(C#N)SC[C@@H](C)O 62a_100000703298_100009817552 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.9 CC(C#N)SC[C@@H](C)O 62a_100009817552_100000703298 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,0,0,0,0|2,0,0]=3 205 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,0|2,0,0]=3 206 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,0|2,0,0]=3 207 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,0,0,0,0|2,0,0]=3 208 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,0,0,0,0|2,0,0]=3 209 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [0,1,0,0,0,0|3,0,0]=4 210 B8R0.9 CC(C)CNC(C)C#N 2230a_100000210953_100000184139 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.9 CC(C)CNC(C)C#N 2230a_100000737613_100000210760 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,1,0,0,0,0|2,0,0]=3 213 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,1,0,0,0,0|2,0,0]=3 214 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [0,1,0,0,0,0|2,0,0]=3 215 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,1,0,0,0,0|2,0,0]=3 216 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.9 CC(C)COC(C)C#N 34a_100011218135_100000210624 [0,1,0,0,0,0|1,1,1]=4 218 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [0,1,0,0,0,0|1,1,0]=3 219 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [0,1,0,0,0,0|1,1,0]=3 220 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [0,1,0,0,0,0|1,1,0]=3 221 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,1,0,0,0,0|1,1,0]=3 222 B8R0.9 CC(C)CSC(C)C#N 62a_100000210624_100000703298 [0,1,0,0,0,0|1,0,1]=3 223 B8R0.9 CC(C)CSC(C)C#N 62a_100000703298_100000210760 [0,1,0,0,0,0|1,0,1]=3 224 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,1,0,0,0,0|1,0,0]=2 225 B8R0.9 CC(C)CSC(F)C#N 62a_100000210624_200000117898 [0,1,0,0,0,0|2,0,1]=4 226 B8R0.9 CC(C)CSC(F)C#N 62a_200000117898_100000210760 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,1,0,0,0,0|1,0,0]=2 228 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,1,0,0,0,0|1,0,0]=2 229 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [0,1,0,0,0,0|3,0,0]=4 230 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,1,0,0,0,0|2,0,0]=3 232 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,1,0,0,0,0|2,0,0]=3 233 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.9 CC(C)NC[C@@H](O)CF 2230a_100138425928_100015614560 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.9 CC(C)NC[C@@H](O)CF 34a_100138425928_100015614560 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [0,1,0,0,0,0|3,0,0]=4 239 B8R0.9 CC(C)OCC(Cl)CCl 34a_100000033668_100000210206 [0,1,0,0,0,0|2,1,0]=4 240 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,1,0,0,0,0|2,1,0]=4 241 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,1,0,0,0,0|1,1,0]=3 242 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [0,1,0,0,0,0|2,1,0]=4 243 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,1,0,0,0,0|2,1,0]=4 244 B8R0.9 CC(C)OC[C@H](F)CN 34a_100015665980_100000210206 [0,1,0,0,0,0|2,1,0]=4 245 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [0,1,0,0,0,0|2,0,0]=3 247 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [0,1,0,0,0,0|2,0,0]=3 248 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,1,0,0,0,0|1,0,0]=2 249 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,1,0,0,0,0|1,0,0]=2 250 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100000210206_100015614560 [0,1,0,0,0,0|2,0,0]=3 251 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100015614560_100000210206 [0,1,0,0,0,0|2,0,0]=3 252 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [0,1,0,0,0,0|2,0,0]=3 253 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [0,1,0,0,0,0|2,0,0]=3 254 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,1,0,0,0,0|2,1,0]=4 255 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,1,0,0,0,0|2,1,0]=4 256 B8R0.9 CC(CN)COC(C)C 34a_100000744482_100000210206 [0,1,0,0,0,0|1,1,0]=3 257 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,1,0,0,0,0|2,1,0]=4 258 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,1,0,0,0,0|2,0,0]=3 259 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,1,0,0,0,0|2,1,0]=4 260 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,1,0,0,0,0|2,1,0]=4 261 B8R0.9 CC(CO)SCC(F)F 62a_100012180447_100011934356 [0,1,0,0,0,0|3,0,0]=4 262 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,1,0,0,0,0|2,0,0]=3 263 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,1,0,0,0,0|2,1,0]=4 264 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,1,0,0,0,0|3,0,0]=4 265 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,1,0,0,0,0|3,0,0]=4 266 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,1,0,0,0,0|3,0,0]=4 267 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,1,0,0,0,0|2,1,0]=4 268 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,1,0,0,0,0|2,1,0]=4 269 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,1,0,0,0,0|2,1,0]=4 270 B8R0.9 CC(O)CSC(C)C#N 62a_100000703298_100011218427 [0,1,0,0,0,0|2,0,1]=4 271 B8R0.9 CC(O)CSC(C)C#N 62a_100011218427_100000703298 [0,1,0,0,0,0|2,0,1]=4 272 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,1,0,0,0,0|2,0,0]=3 273 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,1,0,0,0,0|2,0,0]=3 274 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,1,0,0,0,0|2,0,0]=3 275 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,0,0,0,0|2,0,1]=4 276 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,0,0,0,0|2,0,1]=4 277 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,0,0,0,0|2,0,1]=4 278 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,1,0,0,0,0|2,0,0]=3 279 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,1,0,0,0,0|2,0,0]=3 280 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,1,0,0,0,0|2,0,0]=3 281 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,1,0,0,0,0|1,1,0]=3 282 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,1,0,0,0,0|1,0,0]=2 283 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,1,0,0,0,0|1,0,0]=2 284 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,1,0,0,0,0|2,0,0]=3 285 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,1,0,0,0,0|2,0,0]=3 286 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,1,0,0,0,0|2,0,0]=3 287 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,1,0,0,0,0|2,0,0]=3 288 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,1,0,0,0,0|3,0,0]=4 289 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,1,0,0,0,0|3,0,0]=4 290 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,1,0,0,0,0|3,0,0]=4 291 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,1,0,0,0,0|3,0,0]=4 292 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,1,0,0,0,0|2,1,0]=4 293 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,1,0,0,0,0|1,1,0]=3 294 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,1,0,0,0,0|1,1,0]=3 295 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,1,0,0,0,0|2,1,0]=4 296 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,0,0,0,0|2,1,0]=4 297 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,1,0,0,0,0|2,1,0]=4 298 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,1,0,0,0,0|2,1,0]=4 299 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,0,0,0,0|2,1,0]=4 300 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,1,0,0,0,0|1,0,0]=2 301 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,1,0,0,0,0|1,0,0]=2 302 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,1,0,0,0,0|2,0,0]=3 303 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,1,0,0,0,0|2,0,0]=3 304 B8R0.9 CCC(C)SCC(F)F 62a_100000758301_100011934356 [0,1,0,0,0,0|3,0,0]=4 305 B8R0.9 CCC(C)SCC(F)F 62a_100011934356_100000758301 [0,1,0,0,0,0|3,0,0]=4 306 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,1,0,0,0,0|2,0,0]=3 307 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,1,0,0,0,0|2,0,0]=3 308 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,1,0,0,0,0|3,0,0]=4 309 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,1,0,0,0,0|3,0,0]=4 310 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,1,0,0,0,0|3,0,0]=4 311 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,1,0,0,0,0|2,1,0]=4 312 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,1,0,0,0,0|2,0,0]=3 313 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,1,0,0,0,0|2,0,0]=3 314 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 315 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 316 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,1,0,0,0,0|3,0,0]=4 317 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,1,0,0,0,0|3,0,0]=4 318 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,1,0,0,0,0|3,0,0]=4 319 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,1,0,0,0,0|3,0,0]=4 320 B8R0.9 CCN(C)COC(C)C 2230a_100000225621_100000709892 [0,1,0,0,0,0|2,1,0]=4 321 B8R0.9 CCN(C)COC(C)C 269982a_100000225621_100000709892 [0,1,0,0,0,0|2,1,0]=4 322 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 323 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,1,0,0,0,0|3,0,0]=4 324 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,1,0,0,0,0|2,0,0]=3 325 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,1,0,0,0,0|2,0,0]=3 326 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,1,0,0,0,0|1,1,0]=3 327 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,1,0,0,0,0|1,1,0]=3 328 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,1,0,0,0,0|1,0,0]=2 329 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,1,0,0,0,0|1,0,0]=2 330 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,0,0,0,0|2,0,1]=4 331 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 332 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 333 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 334 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,0,0,0,0|2,0,1]=4 335 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,0,0,0,0|2,0,1]=4 336 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,0,0,0,0|2,0,0]=3 337 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,0,0,0,0|2,0,0]=3 338 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,0,0,0,0|2,0,0]=3 339 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,0,0,0,0|2,0,0]=3 340 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,0,0,0,0|2,0,1]=4 341 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,0,0,0,0|2,0,1]=4 342 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,0|2,0,0]=3 343 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,0|2,0,0]=3 344 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,0|2,0,0]=3 345 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,1,0,0,0,0|1,1,0]=3 346 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,1,0,0,0,0|1,0,0]=2 347 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,1,0,0,0,0|1,0,0]=2 348 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [0,1,0,0,0,0|2,0,0]=3 349 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [0,1,0,0,0,0|2,0,0]=3 350 B8R0.9 COC(C)SCC(F)F 62a_100009879195_100011934356 [0,1,0,0,0,0|3,0,0]=4 351 B8R0.9 COC(C)SCC(F)F 62a_100011934356_100009879195 [0,1,0,0,0,0|3,0,0]=4 352 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [0,1,0,0,0,0|2,0,0]=3 353 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [0,1,0,0,0,0|2,0,0]=3 354 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,1,0,0,0,0|2,0,0]=3 355 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,0,0,0,0|2,0,0]=3 356 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,0,0,0,0|2,0,0]=3 357 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,1,0,0,0,0|3,0,0]=4 358 B8R0.9 C[C@H](CO)SCC(F)F 62a_100011934356_100016084084 [0,1,0,0,0,0|3,0,0]=4 359 B8R0.9 C[C@H](CO)SCC(F)F 62a_100016084084_100011934356 [0,1,0,0,0,0|3,0,0]=4 360 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,1,0,0,0,0|2,0,0]=3 361 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,1,0,0,0,0|2,0,0]=3 362 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,1,0,0,0,0|3,0,0]=4 366 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,1,0,0,0,0|3,0,0]=4 367 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,1,0,0,0,0|3,0,0]=4 368 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,1,0,0,0,0|2,0,0]=3 371 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,1,0,0,0,0|2,0,0]=3 372 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,1,0,0,0,0|3,0,0]=4 373 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 374 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 376 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,1,0,0,0,0|3,0,0]=4 377 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,0,0,0,0|3,0,0]=4 378 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,0,0,0,0|3,0,0]=4 379 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,1,0,0,0,0|3,0,0]=4 381 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,1,0,0,0,0|3,0,0]=4 382 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,1,0,0,0,0|3,0,0]=4 383 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,1,0,0,0,0|3,0,0]=4 384 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,1,0,0,0,0|3,0,0]=4 385 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000737641_200000210301 [0,1,0,0,0,0|2,0,0]=3 386 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000747067_100000210206 [0,1,0,0,0,0|2,0,0]=3 387 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000737641_200000210301 [0,1,0,0,0,0|2,0,0]=3 388 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000747067_100000210206 [0,1,0,0,0,0|2,0,0]=3 389 B8R0.23 CC(C)CN(C)C(C)C 269982a_200000211004_100000210624 [0,1,0,0,0,0|2,0,0]=3 390 B8R0.23 CC(C)CN(C)C(C)C 270004a_200000211004_100000210432 [0,1,0,0,0,0|2,0,0]=3 391 B8R0.23 CC(C)CN([13CH3])C(C)C 2230a_100000737641_200025704644 [0,1,0,0,0,0|2,0,0]=3 392 B8R0.23 CC(C)CN([13CH3])C(C)C 269982a_100000737641_200025704644 [0,1,0,0,0,0|2,0,0]=3 393 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [0,1,0,0,0,0|3,0,0]=4 394 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,1,0,0,0,0|2,0,0]=3 395 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,1,0,0,0,0|2,0,0]=3 396 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,1,0,0,0,0|2,0,0]=3 397 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,1,0,0,0,0|2,0,0]=3 398 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,1,0,0,0,0|3,0,0]=4 399 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,1,0,0,0,0|3,0,0]=4 400 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,1,0,0,0,0|3,0,0]=4 401 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,1,0,0,0,0|3,0,0]=4 402 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,1,0,0,0,0|3,0,0]=4 403 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,1,0,0,0,0|3,0,0]=4 404 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,1,0,0,0,0|3,0,0]=4 405 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,1,0,0,0,0|3,0,0]=4 406 B8R0.23 CC(C)NC(C)C(C)C 2230a_100000211541_100000210206 [0,1,0,0,0,0|2,0,0]=3 407 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,1,0,0,0,0|1,1,0]=3 408 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [0,1,0,0,0,0|3,0,0]=4 410 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [0,1,0,0,0,0|3,0,0]=4 411 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [0,1,0,0,0,0|3,0,0]=4 412 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000211941_100000211660 [0,1,0,0,0,0|1,0,2]=4 413 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000748629_100000211941 [0,1,0,0,0,0|1,0,2]=4 414 B8R0.29 CC(Br)COC(C)(C)C 34a_100012180447_100000210625 [0,1,0,0,0,0|2,1,0]=4 415 B8R0.29 CC(C)(C)SCC(F)F 62a_100000211941_100011934356 [0,1,0,0,0,0|3,0,0]=4 416 B8R0.29 CC(C)(C)SCC(F)F 62a_100011934356_100000211941 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.29 CC(C)CNC(C)(C)C 2230a_100000715429_100000210760 [0,1,0,0,0,0|2,0,0]=3 418 B8R0.29 CC(C)CNC(C)(C)C 34a_100000210953_100000210625 [0,1,0,0,0,0|2,0,0]=3 419 B8R0.29 CC(C)COC(C)(C)C 34a_100000210257_100000210625 [0,1,0,0,0,0|1,1,0]=3 420 B8R0.29 CC(C)COC(C)(C)C 34a_100015890283_100000210624 [0,1,0,0,0,0|1,1,0]=3 421 B8R0.29 CC(C)COC(C)(C)C 7a_100015890283_100000210760 [0,1,0,0,0,0|1,1,0]=3 422 B8R0.29 CC(C)CSC(C)(C)C 62a_100000210624_100000211941 [0,1,0,0,0,0|1,0,0]=2 423 B8R0.29 CC(C)CSC(C)(C)C 62a_100000211941_100000210760 [0,1,0,0,0,0|1,0,0]=2 424 B8R0.29 CC(C)CSC(F)(F)F 62a_100000210624_200103152311 [0,1,0,0,0,0|3,0,0]=4 425 B8R0.29 CC(C)CSC(F)(F)F 62a_200000243211_100000210760 [0,1,0,0,0,0|3,0,0]=4 426 B8R0.29 CC(C)NCC(C)(C)C 2230a_100000743828_100000210206 [0,1,0,0,0,0|2,0,0]=3 427 B8R0.29 CC(C)NCC(C)(C)C 34a_100138425928_100011219605 [0,1,0,0,0,0|2,0,0]=3 428 B8R0.29 CC(C)NCC(C)(C)F 2230a_100020643315_100000210206 [0,1,0,0,0,0|2,0,0]=3 429 B8R0.29 CC(C)NCC(C)(C)F 34a_100138425928_100011997219 [0,1,0,0,0,0|2,0,0]=3 430 B8R0.29 CC(C)NCC(C)(C)O 2230a_100000751335_100000210206 [0,1,0,0,0,0|2,0,0]=3 431 B8R0.29 CC(C)NCC(C)(C)O 34a_100138425928_100000764493 [0,1,0,0,0,0|2,0,0]=3 432 B8R0.29 CC(C)NC[Si](C)(C)C 2230a_100138425928_100000037933 [0,1,0,0,0,0|2,1,0]=4 433 B8R0.29 CC(C)OCC(C)(C)C 34a_100000212225_100011219605 [0,1,0,0,0,0|1,1,0]=3 434 B8R0.29 CC(C)OCC(C)(C)F 34a_100000212225_100011997219 [0,1,0,0,0,0|1,1,0]=3 435 B8R0.29 CC(C)OCC(C)(C)F 34a_100000716592_100000210206 [0,1,0,0,0,0|1,1,0]=3 436 B8R0.29 CC(C)OCC(C)(C)O 34a_100000212225_100000764493 [0,1,0,0,0,0|1,1,0]=3 437 B8R0.29 CC(C)OCC(C)(F)F 34a_100000068830_100000210206 [0,1,0,0,0,0|2,1,0]=4 438 B8R0.29 CC(C)SCC(C)(C)C 62a_100000210206_100011219605 [0,1,0,0,0,0|1,0,0]=2 439 B8R0.29 CC(C)SCC(C)(C)C 62a_100011219605_100000210206 [0,1,0,0,0,0|1,0,0]=2 440 B8R0.29 CC(C)SCC(C)(C)F 62a_100000210206_100011997219 [0,1,0,0,0,0|1,0,0]=2 441 B8R0.29 CC(C)SCC(C)(C)F 62a_100011997219_100000210206 [0,1,0,0,0,0|1,0,0]=2 442 B8R0.29 CC(C)SCC(C)(C)O 62a_100000210206_100000764493 [0,1,0,0,0,0|1,0,0]=2 443 B8R0.29 CC(C)SCC(C)(C)O 62a_100000764493_100000210206 [0,1,0,0,0,0|1,0,0]=2 444 B8R0.29 CC(C)SCC(F)(F)F 62a_100000210206_100000763148 [0,1,0,0,0,0|3,0,0]=4 445 B8R0.29 CC(C)SCC(F)(F)F 62a_100000763148_100000210206 [0,1,0,0,0,0|3,0,0]=4 446 B8R0.29 CC(C)SC[N+](C)(C)C 62a_100000210206_200000036245 [0,1,0,0,0,0|2,0,0]=3 447 B8R0.29 CC(C)SC[N+](C)(C)C 62a_200000036245_100000210206 [0,1,0,0,0,0|2,0,0]=3 448 B8R0.29 CC(C)SC[Si](C)(C)C 62a_100000037933_100000210206 [0,1,0,0,0,0|1,1,0]=3 449 B8R0.29 CC(C)SC[Si](C)(C)C 62a_100000210206_100000037933 [0,1,0,0,0,0|1,1,0]=3 450 B8R0.29 CC(F)COC(C)(C)C 34a_100015925927_100000210625 [0,1,0,0,0,0|2,1,0]=4 451 B8R0.29 CC(O)CNC(C)(C)C 2230a_100000715429_100011218427 [0,1,0,0,0,0|3,0,0]=4 452 B8R0.29 CC(O)CNC(C)(C)C 34a_100000210904_100000210625 [0,1,0,0,0,0|3,0,0]=4 453 B8R0.29 CC(O)COC(C)(C)C 34a_100015890283_100011218427 [0,1,0,0,0,0|2,1,0]=4 454 B8R0.29 CC(O)COC(C)(C)C 7a_100015890283_100011218427 [0,1,0,0,0,0|2,1,0]=4 455 B8R0.29 CC(O)CSC(C)(C)C 62a_100000211941_100011218427 [0,1,0,0,0,0|2,0,0]=3 456 B8R0.29 CC(O)CSC(C)(C)C 62a_100011218427_100000211941 [0,1,0,0,0,0|2,0,0]=3 457 B8R0.29 CN(C)CCC(C)(C)C 2230a_100102631434_100000755188 [0,1,0,0,0,0|3,0,0]=4 458 B8R0.29 CN(C)CCC(C)(C)C 269982a_100102631434_100000755188 [0,1,0,0,0,0|3,0,0]=4 459 B8R0.29 CN(C)CCC(C)(C)O 2230a_100102631434_100000702414 [0,1,0,0,0,0|3,0,0]=4 460 B8R0.29 C[C@@H](Cl)COC(C)(C)C 34a_100016084084_100000210625 [0,1,0,0,0,0|2,1,0]=4 461 B8R0.29 C[C@@H](N)COC(C)(C)C 34a_100000737577_100000210625 [0,1,0,0,0,0|2,1,0]=4 462 B8R0.29 C[C@@H](O)CNC(C)(C)C 2230a_100000715429_100009817552 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.29 C[C@@H](O)COC(C)(C)C 34a_100015890283_100009817552 [0,1,0,0,0,0|2,1,0]=4 464 B8R0.29 C[C@@H](O)COC(C)(C)C 7a_100015890283_100009817552 [0,1,0,0,0,0|2,1,0]=4 465 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100000211941_100009817552 [0,1,0,0,0,0|2,0,0]=3 466 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100009817552_100000211941 [0,1,0,0,0,0|2,0,0]=3 467 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 468 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 469 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,0,0,1,0,0|3,0,0]=4 470 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 471 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 472 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,0,0,1,0,0|3,0,0]=4 473 B8R1.20 CC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000210206 [0,0,0,1,0,0|3,0,0]=4 474 B8R1.20 CC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000210206 [0,0,0,1,0,0|3,0,0]=4 475 B8R1.20 CC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100000210206 [0,0,0,1,0,0|3,0,0]=4 476 B8R1.23 CC(C)N1CC(C1)F 2230a_100000690557_100000210206 [0,0,0,1,0,0|3,0,0]=4 477 B8R1.23 CC(C)N1CC(C1)F 269982a_100000690557_100000210206 [0,0,0,1,0,0|3,0,0]=4 478 B8R1.23 CC(C)N1CC(C1)F 34a_100000690557_100000210206 [0,0,0,1,0,0|3,0,0]=4 479 B8R1.23 CC(C)N1CC(C1)O 269982a_100000749847_100000210206 [0,0,0,1,0,0|3,0,0]=4 480 B8R1.23 CC1CN(C1)C(C)C 2230a_100000702820_100000210206 [0,0,0,1,0,0|2,0,0]=3 481 B8R1.23 CC1CN(C1)C(C)C 269982a_100000702820_100000210206 [0,0,0,1,0,0|2,0,0]=3 482 B8R1.23 CC1CN(C1)C(C)C 34a_100000702820_100000210206 [0,0,0,1,0,0|2,0,0]=3 483 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [0,0,0,1,0,0|1,0,2]=4 484 B8R1.35 CC(Br)COC1CC1 34a_100012180447_100000211595 [0,0,0,1,0,0|2,1,0]=4 485 B8R1.35 CC(C)CNC1CC1 34a_100000210953_100000211595 [0,0,0,1,0,0|2,0,0]=3 486 B8R1.35 CC(C)CNC1CC1 34a_100000212008_100000210624 [0,0,0,1,0,0|2,0,0]=3 487 B8R1.35 CC(C)COC1CC1 34a_100000210257_100000211595 [0,0,0,1,0,0|1,1,0]=3 488 B8R1.35 CC(C)CSC1CC1 62a_100000210624_100000211595 [0,0,0,1,0,0|1,0,0]=2 489 B8R1.35 CC(C)NCC1CC1 2230a_100000735609_100000210206 [0,0,0,1,0,0|2,0,0]=3 490 B8R1.35 CC(C)NCC1CC1 2230a_100138425928_100000742324 [0,0,0,1,0,0|2,0,0]=3 491 B8R1.35 CC(C)NCC1CC1 34a_100000735609_100000210206 [0,0,0,1,0,0|2,0,0]=3 492 B8R1.35 CC(C)NCC1CC1 34a_100138425928_100000742324 [0,0,0,1,0,0|2,0,0]=3 493 B8R1.35 CC(C)NCC1CO1 2230a_100138425928_100011216344 [0,0,0,1,0,0|3,0,0]=4 494 B8R1.35 CC(C)NCC1CO1 34a_100138425928_102125554688 [0,0,0,1,0,0|3,0,0]=4 495 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [0,0,0,1,0,0|1,1,0]=3 496 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [0,0,0,1,0,0|1,1,0]=3 497 B8R1.35 CC(C)OCC1CO1 34a_100000212225_102125554688 [0,0,0,1,0,0|2,1,0]=4 498 B8R1.35 CC(C)OC[C@@H]1CO1 34a_100000757423_100000210206 [0,0,0,1,0,0|2,1,0]=4 499 B8R1.35 CC(C)SCC1CC1 62a_100000210206_100000742324 [0,0,0,1,0,0|1,0,0]=2 500 B8R1.35 CC(C)SCC1CC1 62a_100000756562_100000210206 [0,0,0,1,0,0|1,0,0]=2 501 B8R1.35 CC(C)SCC1CO1 62a_100000210206_102125554688 [0,0,0,1,0,0|2,0,0]=3 502 B8R1.35 CC(C)SCC1CO1 62a_102125554688_100000210206 [0,0,0,1,0,0|2,0,0]=3 503 B8R1.35 CC(C)SCC1CS1 62a_100000031435_100000210206 [0,0,0,1,0,0|2,0,0]=3 504 B8R1.35 CC(C)SCC1CS1 62a_100000210206_100000031435 [0,0,0,1,0,0|2,0,0]=3 505 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000210206_100000745022 [0,0,0,1,0,0|2,0,0]=3 506 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000745022_100000210206 [0,0,0,1,0,0|2,0,0]=3 507 B8R1.35 CC(F)COC1CC1 34a_100015925927_100000211595 [0,0,0,1,0,0|2,1,0]=4 508 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [0,0,0,1,0,0|3,0,0]=4 509 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [0,0,0,1,0,0|3,0,0]=4 510 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [0,0,0,1,0,0|2,0,0]=3 511 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [0,0,0,1,0,0|3,0,0]=4 512 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [0,0,0,1,0,0|3,0,0]=4 513 B8R1.35 C[C@@H](Cl)COC1CC1 34a_100016084084_100000211595 [0,0,0,1,0,0|2,1,0]=4 514 B8R1.35 C[C@@H](N)COC1CC1 34a_100000737577_100000211595 [0,0,0,1,0,0|2,1,0]=4 515 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [0,0,0,1,0,0|3,0,0]=4 516 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [0,0,0,1,0,0|2,0,0]=3 517 B8R1.35 FC(F)CSC1CC1 62a_100011934356_100000211595 [0,0,0,1,0,0|3,0,0]=4 518 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,0,0,1,0,0|3,0,0]=4 519 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,0,0,1,0,0|3,0,0]=4 520 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,0,0,1,0,0|3,0,0]=4 521 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,0,0,1,0,0|3,0,0]=4 522 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,1,0|2,0,1]=4 523 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,1,0|2,0,1]=4 524 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,1,0|2,0,1]=4 525 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,1,0|2,0,1]=4 526 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,1,0|2,0,1]=4 527 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,1,0|2,0,1]=4 528 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,1,0|2,0,1]=4 529 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,0,0,1,0|2,0,0]=3 530 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,0,0,1,0|2,0,0]=3 531 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,0,0,1,0|2,0,0]=3 532 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,0,0,1,0|2,0,0]=3 533 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,0,0,1,0|2,0,0]=3 534 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,0,0,1,0|2,0,0]=3 535 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,0,0,1,0|2,0,0]=3 536 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,0,0,0,1,0|1,0,0]=2 537 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,0,0,0,1,0|1,0,0]=2 538 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,0,0,0,1,0|0,1,0]=2 539 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,0,0,0,1,0|0,0,0]=1 540 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,0,0,0,1,0|3,0,0]=4 541 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,0,0,0,1,0|3,0,0]=4 542 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,0,0,0,1,0|3,0,0]=4 543 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,0,0,0,1,0|3,0,0]=4 544 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,0,0,0,1,0|3,0,0]=4 545 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,0,0,0,1,0|3,0,0]=4 546 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,0,0,0,1,0|3,0,0]=4 547 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,0,0,0,1,0|3,0,0]=4 548 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,0,0,0,0,1|1,0,2]=4 549 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,0,0,0,0,1|1,0,2]=4 550 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,0,0,0,0,1|1,0,2]=4 551 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,0,0,0,0,1|1,0,2]=4 552 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,1|2,0,1]=4 553 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,1|2,0,1]=4 554 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,1|2,0,1]=4 555 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,1|1,1,1]=4 556 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,1|1,1,1]=4 557 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,1|1,0,1]=3 558 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,1|1,0,1]=3 559 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,1|2,0,1]=4 560 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,1|2,0,1]=4 561 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,1|2,0,1]=4 562 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,1|1,1,1]=4 563 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,1|1,1,1]=4 564 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,0,0,0,0,1|2,1,0]=4 565 B8R0.28 CC(C)C=NNC(C)C 4a_100000741168_100000210432 [0,0,0,0,0,1|2,0,0]=3 566 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,0,0,0,0,1|3,0,0]=4 567 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,0,0,0,0,1|3,0,0]=4 568 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,0,0,0,0,1|2,0,0]=3 569 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,0,0,0,0,1|2,0,0]=3 570 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,0,0,0,0,1|1,1,0]=3 571 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,0,0,0,0,1|1,1,0]=3 572 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,0,0,0,0,1|1,1,0]=3 573 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,0,0,0,0,1|1,0,0]=2 574 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,0,0,0,0,1|1,0,0]=2 575 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,0,0,0,0,1|2,0,0]=3 576 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,0,0,0,0,1|2,0,0]=3 577 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,0,0,0,0,1|2,0,0]=3 578 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,0,0,0,0,1|3,0,0]=4 579 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,0,0,0,0,1|3,0,0]=4 580 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,0,0,0,0,1|3,0,0]=4 581 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,0,0,0,0,1|3,0,0]=4 582 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,0,0,0,0,1|3,0,0]=4 583 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,0,0,0,0,1|3,0,0]=4 584 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,0,0,0,0,1|3,0,0]=4 585 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [0,0,0,0,0,1|2,1,0]=4 586 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [0,0,0,0,0,1|1,1,0]=3 587 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [0,0,0,0,0,1|2,1,0]=4 588 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,0,0,0,0,1|2,1,0]=4 589 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [0,0,0,0,0,1|2,1,0]=4 590 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [0,0,0,0,0,1|2,1,0]=4 591 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,0,0,0,0,1|2,1,0]=4 592 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [0,0,0,0,0,1|1,0,0]=2 593 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,0,0,0,0,1|2,0,0]=3 594 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,0,0,0,0,1|2,0,0]=3 595 B8R0.28 CC(C)CSCC(F)F 62a_100000210624_100011934356 [0,0,0,0,0,1|3,0,0]=4 596 B8R0.28 CC(C)CSCC(F)F 62a_100011934356_100000210760 [0,0,0,0,0,1|3,0,0]=4 597 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,0,0,0,0,1|2,0,0]=3 598 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,0,0,0,0,1|2,0,0]=3 599 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [0,0,0,0,0,1|1,1,0]=3 600 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [0,0,0,0,0,1|1,1,0]=3 601 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [0,0,0,0,0,1|2,1,0]=4 602 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [0,0,0,0,0,1|2,1,0]=4 603 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,0,0,0,0,1|2,1,0]=4 604 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [0,0,0,0,0,1|0,2,0]=3 605 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [0,0,0,0,0,1|0,1,0]=2 606 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [0,0,0,0,0,1|0,1,0]=2 607 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [0,0,0,0,0,1|2,0,0]=3 608 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [0,0,0,0,0,1|2,0,0]=3 609 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [0,0,0,0,0,1|2,0,0]=3 610 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,0,0,0,0,1|3,0,0]=4 611 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,0,0,0,0,1|3,0,0]=4 612 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,0,0,0,0,1|3,0,0]=4 613 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,0,0,0,0,1|2,1,0]=4 614 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,0,0,0,0,1|2,0,0]=3 615 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,0,0,0,0,1|2,0,0]=3 616 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,0,0,0,0,1|3,0,0]=4 617 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,0,0,0,0,1|3,0,0]=4 618 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,0,0,0,0,1|3,0,0]=4 619 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,0,0,0,0,1|3,0,0]=4 620 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 621 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 622 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|1,1,0]=4 623 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|1,0,0]=3 624 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|1,0,0]=3 625 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [2,0,0,0,0,0|2,0,0]=4 626 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [2,0,0,0,0,0|1,1,0]=4 627 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [2,0,0,0,0,0|1,0,0]=3 628 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [2,0,0,0,0,0|1,0,0]=3 629 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|2,0,0]=4 630 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|2,0,0]=4 631 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 632 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 633 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 634 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 635 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 636 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 637 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|1,0,0]=3 638 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|1,0,0]=3 639 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|1,0,0]=3 640 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|0,1,0]=3 641 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|0,1,0]=3 642 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|0,0,0]=2 643 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|0,0,0]=2 644 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 645 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 646 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|2,0,0]=4 647 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 648 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|2,0,0]=4 649 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 650 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|1,1,0]=4 651 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|1,1,0]=4 652 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|1,0,0]=3 653 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|1,0,0]=3 654 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|2,0,0]=4 655 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|2,0,0]=4 656 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 657 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 658 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|2,0,0]=4 659 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|2,0,0]=4 660 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|2,0,0]=4 661 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|2,0,0]=4 662 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|2,0,0]=4 663 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,1,0]=4 664 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,1,0]=4 665 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|1,0,0]=3 666 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|1,0,0]=3 667 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|2,0,0]=4 668 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|2,0,0]=4 669 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|2,0,0]=4 670 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|2,0,0]=4 671 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|2,0,0]=4 672 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|2,0,0]=4 673 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|2,0,0]=4 674 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|2,0,0]=4 675 B5R0.2 CCSCSC 62a_100000210202_100011218213 [2,0,0,0,0,0|2,0,0]=4 676 B5R0.2 CCSCSC 62a_100011218213_100000210202 [2,0,0,0,0,0|2,0,0]=4 677 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [1,1,0,0,0,0|2,0,0]=4 678 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [1,1,0,0,0,0|2,0,0]=4 679 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [1,1,0,0,0,0|2,0,0]=4 680 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|2,0,0]=4 681 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|2,0,0]=4 682 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 683 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 684 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 685 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 686 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [1,1,0,0,0,0|2,0,0]=4 687 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [1,1,0,0,0,0|2,0,0]=4 688 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [1,1,0,0,0,0|2,0,0]=4 689 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,1,0,0,0,0|1,1,0]=4 690 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,1,0,0,0,0|1,1,0]=4 691 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [1,1,0,0,0,0|1,0,0]=3 692 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [1,1,0,0,0,0|1,0,0]=3 693 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,1,0,0,0,0|2,0,0]=4 694 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 695 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,1,0,0,0,0|2,0,0]=4 696 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,1,0,0,0,0|2,0,0]=4 697 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 698 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,1,0,0,0,0|2,0,0]=4 699 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 700 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 701 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [1,1,0,0,0,0|2,0,0]=4 702 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [1,1,0,0,0,0|2,0,0]=4 703 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [1,1,0,0,0,0|1,0,1]=4 704 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,1,0,0,0,0|1,0,1]=4 705 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [1,1,0,0,0,0|2,0,0]=4 706 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,1,0,0,0,0|2,0,0]=4 707 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [1,1,0,0,0,0|2,0,0]=4 708 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [1,1,0,0,0,0|2,0,0]=4 709 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [1,1,0,0,0,0|2,0,0]=4 710 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [1,1,0,0,0,0|2,0,0]=4 711 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [1,1,0,0,0,0|2,0,0]=4 712 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [1,1,0,0,0,0|2,0,0]=4 713 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,1,0,0,0,0|2,0,0]=4 714 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,1,0,0,0,0|2,0,0]=4 715 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,1,0,0,0,0|2,0,0]=4 716 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,1,0,0,0,0|2,0,0]=4 717 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,1,0,0,0,0|2,0,0]=4 718 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,1,0,0,0,0|2,0,0]=4 719 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,1,0,0,0,0|2,0,0]=4 720 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,1,0,0,0,0|2,0,0]=4 721 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|2,0,0]=4 722 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 723 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|2,0,0]=4 724 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|2,0,0]=4 725 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 726 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|2,0,0]=4 727 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|2,0,0]=4 728 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|2,0,0]=4 729 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|2,0,0]=4 730 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|2,0,0]=4 731 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|2,0,0]=4 732 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|2,0,0]=4 733 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|2,0,0]=4 734 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|2,0,0]=4 735 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|2,0,0]=4 736 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,1,0,0,0,0|2,0,0]=4 737 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,1,0,0,0,0|2,0,0]=4 738 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|1,1,0]=4 739 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|1,1,0]=4 740 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,1,0,0,0,0|1,1,0]=4 741 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,1,0,0,0,0|1,1,0]=4 742 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,1,0,0,0,0|1,1,0]=4 743 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,1,0,0,0,0|1,1,0]=4 744 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [1,1,0,0,0,0|1,0,1]=4 745 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [1,1,0,0,0,0|1,0,1]=4 746 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,1,0,0,0,0|1,0,0]=3 747 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,1,0,0,0,0|1,0,0]=3 748 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,1,0,0,0,0|1,0,0]=3 749 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,1,0,0,0,0|1,0,0]=3 750 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,1,0,0,0,0|1,0,0]=3 751 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,1,0,0,0,0|1,0,0]=3 752 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,1,0,0,0,0|1,0,0]=3 753 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,1,0,0,0,0|2,0,0]=4 754 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,1,0,0,0,0|2,0,0]=4 755 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,1,0,0,0,0|2,0,0]=4 756 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,1,0,0,0,0|2,0,0]=4 757 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,1,0,0,0,0|2,0,0]=4 758 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,1,0,0,0,0|2,0,0]=4 759 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,1,0,0,0,0|2,0,0]=4 760 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|1,1,0]=4 761 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,1,0,0,0,0|1,1,0]=4 762 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,1,0,0,0,0|1,1,0]=4 763 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,1,0,0,0,0|1,1,0]=4 764 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,1,0,0,0,0|1,1,0]=4 765 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,1,0,0,0,0|1,1,0]=4 766 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,1,0,0,0,0|1,1,0]=4 767 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|1,1,0]=4 768 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|1,1,0]=4 769 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,1,0,0,0,0|1,1,0]=4 770 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|1,0,0]=3 771 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|1,0,0]=3 772 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [1,1,0,0,0,0|1,0,0]=3 773 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,1,0,0,0,0|2,0,0]=4 774 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,1,0,0,0,0|2,0,0]=4 775 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,1,0,0,0,0|2,0,0]=4 776 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,1,0,0,0,0|2,0,0]=4 777 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|1,0,0]=3 778 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|1,0,0]=3 779 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,1,0,0,0,0|1,0,0]=3 780 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,1,0,0,0,0|1,0,0]=3 781 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [1,1,0,0,0,0|2,0,0]=4 782 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [1,1,0,0,0,0|2,0,0]=4 783 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,1,0,0,0,0|2,0,0]=4 784 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,1,0,0,0,0|2,0,0]=4 785 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [1,1,0,0,0,0|2,0,0]=4 786 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [1,1,0,0,0,0|2,0,0]=4 787 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [1,1,0,0,0,0|2,0,0]=4 788 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [1,1,0,0,0,0|2,0,0]=4 789 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [1,1,0,0,0,0|2,0,0]=4 790 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [1,1,0,0,0,0|2,0,0]=4 791 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [1,1,0,0,0,0|2,0,0]=4 792 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [1,1,0,0,0,0|2,0,0]=4 793 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [1,1,0,0,0,0|2,0,0]=4 794 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [1,1,0,0,0,0|2,0,0]=4 795 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [1,1,0,0,0,0|2,0,0]=4 796 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [1,1,0,0,0,0|2,0,0]=4 797 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [1,1,0,0,0,0|2,0,0]=4 798 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [1,1,0,0,0,0|2,0,0]=4 799 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [1,1,0,0,0,0|2,0,0]=4 800 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [1,1,0,0,0,0|2,0,0]=4 801 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [1,1,0,0,0,0|2,0,0]=4 802 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [1,1,0,0,0,0|2,0,0]=4 803 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [1,1,0,0,0,0|2,0,0]=4 804 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [1,1,0,0,0,0|2,0,0]=4 805 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,1,0,0,0,0|2,0,0]=4 806 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,1,0,0,0,0|2,0,0]=4 807 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [1,1,0,0,0,0|1,0,1]=4 808 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [1,1,0,0,0,0|1,0,1]=4 809 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [1,1,0,0,0,0|1,0,1]=4 810 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,1,0,0,0,0|1,0,1]=4 811 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,1,0,0,0,0|1,0,1]=4 812 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [1,1,0,0,0,0|1,0,1]=4 813 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [1,1,0,0,0,0|1,0,1]=4 814 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [1,1,0,0,0,0|1,0,1]=4 815 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [1,1,0,0,0,0|1,0,1]=4 816 B7R0.4 CC#CCSC(C)C 62a_100000210206_100000748600 [1,1,0,0,0,0|1,0,1]=4 817 B7R0.4 CC#CCSC(C)C 62a_100000748600_100000210206 [1,1,0,0,0,0|1,0,1]=4 818 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,1,0,0,0,0|2,0,0]=4 819 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,1,0,0,0,0|2,0,0]=4 820 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,1,0,0,0,0|2,0,0]=4 821 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,1,0,0,0,0|2,0,0]=4 822 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,1,0,0,0,0|2,0,0]=4 823 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,1,0,0,0,0|2,0,0]=4 824 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,1,0,0,0,0|2,0,0]=4 825 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,1,0,0,0,0|2,0,0]=4 826 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,1,0,0,0,0|2,0,0]=4 827 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,1,0,0,0,0|2,0,0]=4 828 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,1,0,0,0,0|2,0,0]=4 829 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,1,0,0,0,0|2,0,0]=4 830 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,1,0,0,0,0|2,0,0]=4 831 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,1,0,0,0,0|2,0,0]=4 832 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,1,0,0,0,0|2,0,0]=4 833 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,1,0,0,0,0|2,0,0]=4 834 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,1,0,0,0,0|1,1,0]=4 835 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,1,0,0,0,0|1,1,0]=4 836 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,1,0,0,0,0|1,1,0]=4 837 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,1,0,0,0,0|1,1,0]=4 838 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [1,1,0,0,0,0|1,0,1]=4 839 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [1,1,0,0,0,0|1,0,1]=4 840 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [1,1,0,0,0,0|1,0,1]=4 841 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [1,1,0,0,0,0|1,0,1]=4 842 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,1,0,0,0,0|1,0,0]=3 843 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,1,0,0,0,0|1,0,0]=3 844 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,1,0,0,0,0|1,0,0]=3 845 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,1,0,0,0,0|1,0,0]=3 846 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [1,1,0,0,0,0|2,0,0]=4 847 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [1,1,0,0,0,0|2,0,0]=4 848 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [1,1,0,0,0,0|2,0,0]=4 849 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [1,1,0,0,0,0|2,0,0]=4 850 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,1,0,0,0,0|2,0,0]=4 851 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,1,0,0,0,0|2,0,0]=4 852 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [1,1,0,0,0,0|2,0,0]=4 853 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,1,0,0,0,0|1,1,0]=4 854 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,1,0,0,0,0|1,1,0]=4 855 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,1,0,0,0,0|1,1,0]=4 856 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,1,0,0,0,0|1,1,0]=4 857 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,1,0,0,0,0|1,1,0]=4 858 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,1,0,0,0,0|1,1,0]=4 859 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,1,0,0,0,0|1,1,0]=4 860 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,1,0,0,0,0|1,1,0]=4 861 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,1,0,0,0,0|1,1,0]=4 862 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,1,0,0,0,0|1,1,0]=4 863 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,1,0,0,0,0|1,1,0]=4 864 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,1,0,0,0,0|1,1,0]=4 865 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [1,1,0,0,0,0|1,1,0]=4 866 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [1,1,0,0,0,0|1,1,0]=4 867 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [1,1,0,0,0,0|1,0,1]=4 868 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [1,1,0,0,0,0|1,0,1]=4 869 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,1,0,0,0,0|1,0,0]=3 870 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,1,0,0,0,0|1,0,0]=3 871 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,1,0,0,0,0|1,0,0]=3 872 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,1,0,0,0,0|1,0,0]=3 873 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [1,1,0,0,0,0|1,0,0]=3 874 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [1,1,0,0,0,0|1,0,0]=3 875 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [1,1,0,0,0,0|1,0,0]=3 876 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [1,1,0,0,0,0|1,0,0]=3 877 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,1,0,0,0,0|1,0,0]=3 878 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,1,0,0,0,0|1,0,0]=3 879 B7R0.4 CC(C)SCSC#N 62a_100000210206_100000211825 [1,1,0,0,0,0|1,0,1]=4 880 B7R0.4 CC(C)SCSC#N 62a_100000211825_100000210206 [1,1,0,0,0,0|1,0,1]=4 881 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,1,0,0,0,0|2,0,0]=4 882 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,1,0,0,0,0|2,0,0]=4 883 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,1,0,0,0,0|2,0,0]=4 884 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,1,0,0,0,0|2,0,0]=4 885 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,1,0,0,0,0|1,0,1]=4 886 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,1,0,0,0,0|1,0,1]=4 887 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [1,1,0,0,0,0|2,0,0]=4 888 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,1,0,0,0,0|2,0,0]=4 889 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,1,0,0,0,0|2,0,0]=4 890 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,1,0,0,0,0|2,0,0]=4 891 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,1,0,0,0,0|2,0,0]=4 892 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,1,0,0,0,0|1,1,0]=4 893 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,1,0,0,0,0|1,1,0]=4 894 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,1,0,0,0,0|1,1,0]=4 895 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,1,0,0,0,0|1,0,0]=3 896 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,1,0,0,0,0|1,0,0]=3 897 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,1,0,0,0,0|2,0,0]=4 898 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,1,0,0,0,0|2,0,0]=4 899 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,1,0,0,0,0|2,0,0]=4 900 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,1,0,0,0,0|1,1,0]=4 901 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,1,0,0,0,0|1,1,0]=4 902 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,1,0,0,0,0|1,0,0]=3 903 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,1,0,0,0,0|1,0,0]=3 904 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,1,0,0,0,0|2,0,0]=4 905 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,1,0,0,0,0|2,0,0]=4 906 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,1,0,0,0,0|2,0,0]=4 907 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,1,0,0,0,0|2,0,0]=4 908 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,1,0,0,0,0|2,0,0]=4 909 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,1,0,0,0,0|2,0,0]=4 910 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,1,0,0,0,0|1,1,0]=4 911 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [1,1,0,0,0,0|2,0,0]=4 912 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,1,0,0,0,0|1,1,0]=4 913 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,1,0,0,0,0|1,1,0]=4 914 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,1,0,0,0,0|1,1,0]=4 915 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,1,0,0,0,0|0,2,0]=4 916 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,1,0,0,0,0|0,1,0]=3 917 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,1,0,0,0,0|0,1,0]=3 918 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|1,0,1]=4 919 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|1,0,1]=4 920 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,1,0,0,0,0|1,0,0]=3 921 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,1,0,0,0,0|1,0,0]=3 922 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,1,0,0,0,0|2,0,0]=4 923 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,1,0,0,0,0|2,0,0]=4 924 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 925 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,1,0,0,0,0|2,0,0]=4 926 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,1,0,0,0,0|2,0,0]=4 927 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,1,0,0,0,0|0,1,0]=3 928 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,1,0,0,0,0|0,1,0]=3 929 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,1,0,0,0,0|2,0,0]=4 930 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,1,0,0,0,0|2,0,0]=4 931 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,1,0,0,0,0|2,0,0]=4 932 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,1,0,0,0,0|2,0,0]=4 933 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,1,0,0,0,0|2,0,0]=4 934 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,1,0,0,0,0|1,1,0]=4 935 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,1,0,0,0,0|1,1,0]=4 936 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,1,0,0,0,0|1,1,0]=4 937 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,1,0,0,0,0|1,1,0]=4 938 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,1,0,0,0,0|1,1,0]=4 939 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [1,1,0,0,0,0|1,0,0]=3 940 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [1,1,0,0,0,0|1,0,0]=3 941 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [1,1,0,0,0,0|1,0,0]=3 942 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [1,1,0,0,0,0|1,0,0]=3 943 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [1,1,0,0,0,0|1,0,0]=3 944 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,1,0,0,0,0|2,0,0]=4 945 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,1,0,0,0,0|2,0,0]=4 946 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,1,0,0,0,0|2,0,0]=4 947 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [1,1,0,0,0,0|2,0,0]=4 948 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [1,1,0,0,0,0|2,0,0]=4 949 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [1,1,0,0,0,0|2,0,0]=4 950 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [1,1,0,0,0,0|2,0,0]=4 951 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,1,0,0,0,0|1,1,0]=4 952 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,1,0,0,0,0|1,1,0]=4 953 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,1,0,0,0,0|1,1,0]=4 954 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,1,0,0,0,0|1,1,0]=4 955 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,1,0,0,0,0|1,1,0]=4 956 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [1,1,0,0,0,0|1,0,0]=3 957 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [1,1,0,0,0,0|1,0,0]=3 958 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [1,1,0,0,0,0|1,0,0]=3 959 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [1,1,0,0,0,0|1,0,0]=3 960 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [1,1,0,0,0,0|1,0,0]=3 961 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [1,1,0,0,0,0|2,0,0]=4 962 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,1,0,0,0,0|1,0,0]=3 963 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,1,0,0,0,0|1,0,0]=3 964 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [1,1,0,0,0,0|2,0,0]=4 965 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [1,1,0,0,0,0|2,0,0]=4 966 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [1,1,0,0,0,0|2,0,0]=4 967 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [1,1,0,0,0,0|2,0,0]=4 968 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,1,0,0,0,0|2,0,0]=4 969 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,1,0,0,0,0|2,0,0]=4 970 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,1,0,0,0,0|2,0,0]=4 971 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,1,0,0,0,0|2,0,0]=4 972 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,1,0,0,0,0|2,0,0]=4 973 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,1,0,0,0,0|1,1,0]=4 974 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,1,0,0,0,0|1,1,0]=4 975 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,1,0,0,0,0|1,1,0]=4 976 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,1,0,0,0,0|1,1,0]=4 977 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,1,0,0,0,0|1,1,0]=4 978 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,1,0,0,0,0|1,0,0]=3 979 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,1,0,0,0,0|1,0,0]=3 980 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,1,0,0,0,0|1,0,0]=3 981 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,1,0,0,0,0|1,0,0]=3 982 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,1,0,0,0,0|2,0,0]=4 983 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,1,0,0,0,0|2,0,0]=4 984 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,1,0,0,0,0|1,1,0]=4 985 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,1,0,0,0,0|1,0,0]=3 986 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,1,0,0,0,0|1,0,0]=3 987 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,1,0,0,0,0|2,0,0]=4 988 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,1,0,0,0,0|2,0,0]=4 989 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,1,0,0,0,0|2,0,0]=4 990 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,1,0,0,0,0|2,0,0]=4 991 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,1,0,0,0,0|2,0,0]=4 992 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,1,0,0,0,0|2,0,0]=4 993 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,1,0,0,0,0|2,0,0]=4 994 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,1,0,0,0,0|2,0,0]=4 995 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|2,0,0]=4 996 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|2,0,0]=4 997 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,1,0,0,0,0|2,0,0]=4 998 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,1,0,0,0,0|2,0,0]=4 999 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,1,0,0,0,0|2,0,0]=4 1000 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1001 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,1,0,0,0,0|2,0,0]=4 1002 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1003 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1004 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 1005 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 1006 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|2,0,0]=4 1007 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [1,1,0,0,0,0|2,0,0]=4 1008 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,1,0,0,0,0|1,1,0]=4 1009 B7R0.8 CC(C)(C)CSCF 62a_100011219605_100015361967 [1,1,0,0,0,0|2,0,0]=4 1010 B7R0.8 CC(C)(C)CSCF 62a_100015361967_100011219605 [1,1,0,0,0,0|2,0,0]=4 1011 B7R0.8 CC(C)(C)SCCF 62a_100000211941_100011217306 [1,1,0,0,0,0|2,0,0]=4 1012 B7R0.8 CC(C)(C)SCCF 62a_100011217306_100000211941 [1,1,0,0,0,0|2,0,0]=4 1013 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [1,1,0,0,0,0|2,0,0]=4 1014 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [1,1,0,0,0,0|2,0,0]=4 1015 B7R0.8 CC(C)(F)CSCF 62a_100011997219_100015361967 [1,1,0,0,0,0|2,0,0]=4 1016 B7R0.8 CC(C)(F)CSCF 62a_100015361967_100011997219 [1,1,0,0,0,0|2,0,0]=4 1017 B7R0.8 CC(C)(O)CSCF 62a_100000764493_100015361967 [1,1,0,0,0,0|2,0,0]=4 1018 B7R0.8 CC(C)(O)CSCF 62a_100015361967_100000764493 [1,1,0,0,0,0|2,0,0]=4 1019 B7R0.8 CCCNC(C)(C)C 2230a_100000715429_100000210303 [1,1,0,0,0,0|2,0,0]=4 1020 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [1,1,0,0,0,0|1,1,0]=4 1021 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [1,1,0,0,0,0|1,1,0]=4 1022 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [1,1,0,0,0,0|1,1,0]=4 1023 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [1,1,0,0,0,0|1,0,0]=3 1024 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [1,1,0,0,0,0|1,0,0]=3 1025 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [1,1,0,0,0,0|2,0,0]=4 1026 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [1,1,0,0,0,0|2,0,0]=4 1027 B7R0.8 CCNCC(C)(C)F 2230a_100020643315_100000210202 [1,1,0,0,0,0|2,0,0]=4 1028 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [1,1,0,0,0,0|2,0,0]=4 1029 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [1,1,0,0,0,0|1,1,0]=4 1030 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [1,1,0,0,0,0|1,1,0]=4 1031 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [1,1,0,0,0,0|1,1,0]=4 1032 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [1,1,0,0,0,0|1,1,0]=4 1033 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [1,1,0,0,0,0|1,0,0]=3 1034 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [1,1,0,0,0,0|1,0,0]=3 1035 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [1,1,0,0,0,0|1,0,0]=3 1036 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [1,1,0,0,0,0|1,0,0]=3 1037 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [1,1,0,0,0,0|1,0,0]=3 1038 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [1,1,0,0,0,0|1,0,0]=3 1039 B7R0.8 CCSC[N+](C)(C)C 62a_100000210202_200000036245 [1,1,0,0,0,0|2,0,0]=4 1040 B7R0.8 CCSC[N+](C)(C)C 62a_200000036245_100000210202 [1,1,0,0,0,0|2,0,0]=4 1041 B7R0.8 CCSC[Si](C)(C)C 62a_100000037933_100000210202 [1,1,0,0,0,0|1,1,0]=4 1042 B7R0.8 CCSC[Si](C)(C)C 62a_100000210202_100000037933 [1,1,0,0,0,0|1,1,0]=4 1043 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [1,1,0,0,0,0|2,0,0]=4 1044 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [1,1,0,0,0,0|2,0,0]=4 1045 B7R0.8 CSCSC(C)(C)C 62a_100000211941_100011218213 [1,1,0,0,0,0|2,0,0]=4 1046 B7R0.8 CSCSC(C)(C)C 62a_100011218213_100000211941 [1,1,0,0,0,0|2,0,0]=4 1047 B7R0.9 CC(C)NC(C)(C)C 2230a_100000715429_100000210206 [0,1,0,0,1,0|1,0,0]=3 1048 B7R0.9 CC(C)NC(C)(C)C 34a_100138425928_100000210625 [0,1,0,0,1,0|1,0,0]=3 1049 B7R0.9 CC(C)OC(C)(C)C 34a_100000212225_100000210625 [0,1,0,0,1,0|0,1,0]=3 1050 B7R0.9 CC(C)OC(C)(C)C 34a_100015890283_100000210206 [0,1,0,0,1,0|0,1,0]=3 1051 B7R0.9 CC(C)OC(C)(C)C 7a_100015890283_100000210206 [0,1,0,0,1,0|0,1,0]=3 1052 B7R0.9 CC(C)SC(C)(C)C 62a_100000210206_100000211941 [0,1,0,0,1,0|0,0,0]=2 1053 B7R0.9 CC(C)SC(C)(C)C 62a_100000211941_100000210206 [0,1,0,0,1,0|0,0,0]=2 1054 B7R0.9 CC(C)SC(F)(F)F 62a_100000210206_200103152311 [0,1,0,0,1,0|2,0,0]=4 1055 B7R0.9 CC(C)SC(F)(F)F 62a_200000243211_100000210206 [0,1,0,0,1,0|2,0,0]=4 1056 B7R0.9 CN(C)CC(C)(C)C 2230a_100000742839_200000210301 [0,1,0,0,1,0|2,0,0]=4 1057 B7R0.9 CN(C)CC(C)(C)C 269982a_100000742839_200000210301 [0,1,0,0,1,0|2,0,0]=4 1058 B7R0.9 CN(C)CC(C)(C)C 270004a_100102631434_100011204126 [0,1,0,0,1,0|2,0,0]=4 1059 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,1,0,0,1,0|2,0,0]=4 1060 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,1,0,0,1,0|2,0,0]=4 1061 B7R0.9 CN([13CH3])CC(C)(C)C 2230a_100000742839_200025704644 [0,1,0,0,1,0|2,0,0]=4 1062 B7R0.9 CN([13CH3])CC(C)(C)C 269982a_100000742839_200025704644 [0,1,0,0,1,0|2,0,0]=4 1063 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,1,0,0,1,0|2,0,0]=4 1064 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,1,0,0,1,0|2,0,0]=4 1065 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,1,0,0,1,0|1,0,0]=3 1066 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,1,0,0,1,0|2,0,0]=4 1067 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,1,0,0,1,0|2,0,0]=4 1068 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,1,0,0,1,0|2,0,0]=4 1069 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,1,0,0,1,0|2,0,0]=4 1070 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,1,0,0,1,0|2,0,0]=4 1071 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,1,0|2,0,0]=4 1072 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,1,0|2,0,0]=4 1073 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,1,0,0,1,0|2,0,0]=4 1074 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,1,0,0,1,0|2,0,0]=4 1075 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,1,0,0,1,0|2,0,0]=4 1076 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,1,0,0,1,0|2,0,0]=4 1077 B7R0.16 CC(C)N(C)C(C)C 2230a_100000086832_200000210301 [0,1,0,0,1,0|1,0,0]=3 1078 B7R0.16 CC(C)N(C)C(C)C 269982a_100000086832_200000210301 [0,1,0,0,1,0|1,0,0]=3 1079 B7R0.16 CC(C)N(C)C(C)C 269982a_200000211004_100000210206 [0,1,0,0,1,0|1,0,0]=3 1080 B7R0.16 CC(C)N(C)C(C)C 34a_100000086832_200000210301 [0,1,0,0,1,0|1,0,0]=3 1081 B7R0.16 CC(C)N([13CH3])C(C)C 2230a_100000086832_200025704644 [0,1,0,0,1,0|1,0,0]=3 1082 B7R0.16 CC(C)N([13CH3])C(C)C 269982a_100000086832_200025704644 [0,1,0,0,1,0|1,0,0]=3 1083 B7R0.16 CC(C)N([13CH3])C(C)C 34a_100000086832_200025704644 [0,1,0,0,1,0|1,0,0]=3 1084 B9R0.1 C#CC(C)SCCC(C)C 62a_200000035995_100000210312 [0,1,0,0,0,1|1,0,1]=4 1085 B9R0.1 C#CC(C)SCOC(C)C 62a_200000035995_100000709892 [0,1,0,0,0,1|0,1,1]=4 1086 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [0,1,0,0,0,1|1,0,1]=4 1087 B9R0.1 C=CC(C)SCOC(C)C 62a_100011215867_100000709892 [0,1,0,0,0,1|0,1,1]=4 1088 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [0,1,0,0,0,1|1,0,1]=4 1089 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [0,1,0,0,0,1|1,0,1]=4 1090 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [0,1,0,0,0,1|1,0,1]=4 1091 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,1,0,0,0,1|2,0,0]=4 1092 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,1|2,0,0]=4 1093 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,1|2,0,0]=4 1094 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [0,1,0,0,0,1|2,0,0]=4 1095 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [0,1,0,0,0,1|2,0,0]=4 1096 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [0,1,0,0,0,1|2,0,0]=4 1097 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [0,1,0,0,0,1|1,1,0]=4 1098 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [0,1,0,0,0,1|1,1,0]=4 1099 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [0,1,0,0,0,1|1,1,0]=4 1100 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,1,0,0,0,1|1,1,0]=4 1101 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,1,0,0,0,1|1,1,0]=4 1102 B9R0.1 CC(C)CCSC(C)C#N 62a_100000210312_100000703298 [0,1,0,0,0,1|1,0,1]=4 1103 B9R0.1 CC(C)CCSC(C)C#N 62a_100000703298_100000210312 [0,1,0,0,0,1|1,0,1]=4 1104 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,1,0,0,0,1|1,0,0]=3 1105 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,1,0,0,0,1|1,0,0]=3 1106 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,1,0,0,0,1|1,0,0]=3 1107 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [0,1,0,0,0,1|2,0,0]=4 1108 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [0,1,0,0,0,1|2,0,0]=4 1109 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [0,1,0,0,0,1|2,0,0]=4 1110 B9R0.1 CC(C)COCC(C)CN 34a_100000744482_100000210624 [0,1,0,0,0,1|1,1,0]=4 1111 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [0,1,0,0,0,1|1,1,0]=4 1112 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,1,0,0,0,1|2,0,0]=4 1113 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,1,0,0,0,1|2,0,0]=4 1114 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [0,1,0,0,0,1|1,0,0]=3 1115 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [0,1,0,0,0,1|1,0,0]=3 1116 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [0,1,0,0,0,1|2,0,0]=4 1117 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [0,1,0,0,0,1|2,0,0]=4 1118 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,1,0,0,0,1|2,0,0]=4 1119 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,1,0,0,0,1|2,0,0]=4 1120 B9R0.1 CC(C)OCN[C@H](C)CO 2230a_100000737577_100000709892 [0,1,0,0,0,1|1,1,0]=4 1121 B9R0.1 CC(C)OCOC(C)CF 34a_100016041109_100000709892 [0,1,0,0,0,1|0,2,0]=4 1122 B9R0.1 CC(C)OCOC(C)CN 34a_100000210904_100000709892 [0,1,0,0,0,1|0,2,0]=4 1123 B9R0.1 CC(C)OCSC(C)C#N 62a_100000703298_100000709892 [0,1,0,0,0,1|0,1,1]=4 1124 B9R0.1 CC(C)OCSC(C)C#N 62a_100000709892_100000703298 [0,1,0,0,0,1|0,1,1]=4 1125 B9R0.1 CC(C)OCSC(C)CO 62a_100012180447_100000709892 [0,1,0,0,0,1|0,1,0]=3 1126 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100000709892_100016084084 [0,1,0,0,0,1|0,1,0]=3 1127 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100016084084_100000709892 [0,1,0,0,0,1|0,1,0]=3 1128 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,1,0,0,0,1|2,0,0]=4 1129 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,1,0,0,0,1|2,0,0]=4 1130 B9R0.1 CC(CO)SCCN(C)C 62a_100012180447_100000755713 [0,1,0,0,0,1|2,0,0]=4 1131 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,1,0,0,0,1|2,0,0]=4 1132 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,1,0,0,0,1|2,0,0]=4 1133 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,1,0,0,0,1|2,0,0]=4 1134 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,1,0,0,0,1|2,0,0]=4 1135 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,1,0,0,0,1|2,0,0]=4 1136 B9R0.1 CCC(C)C=NNC(C)C 4a_100000741168_100000243153 [0,1,0,0,0,1|2,0,0]=4 1137 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,1,0,0,0,1|2,0,0]=4 1138 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,1,0,0,0,1|1,1,0]=4 1139 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,1,0,0,0,1|2,0,0]=4 1140 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,1,0,0,0,1|2,0,0]=4 1141 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,1,0,0,0,1|2,0,0]=4 1142 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,1,0,0,0,1|2,0,0]=4 1143 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,1,0,0,0,1|2,0,0]=4 1144 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,1,0,0,0,1|1,1,0]=4 1145 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,1,0,0,0,1|1,0,0]=3 1146 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,1,0,0,0,1|1,0,0]=3 1147 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,1,0,0,0,1|2,0,0]=4 1148 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,1,0,0,0,1|2,0,0]=4 1149 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,1,0,0,0,1|2,0,0]=4 1150 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,1,0,0,0,1|2,0,0]=4 1151 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,1,0,0,0,1|2,0,0]=4 1152 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,1,0,0,0,1|2,0,0]=4 1153 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [0,1,0,0,0,1|1,1,0]=4 1154 B9R0.1 CCC(C)NN=CC(C)C 4a_100000718999_100000210432 [0,1,0,0,0,1|2,0,0]=4 1155 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,1,0,0,0,1|1,1,0]=4 1156 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,1,0,0,0,1|1,1,0]=4 1157 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,1,0,0,0,1|1,1,0]=4 1158 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,1,0,0,0,1|1,0,1]=4 1159 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,1,0,0,0,1|1,0,1]=4 1160 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,1,0,0,0,1|1,0,0]=3 1161 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,1,0,0,0,1|1,0,0]=3 1162 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,1,0,0,0,1|2,0,0]=4 1163 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,1,0,0,0,1|2,0,0]=4 1164 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [0,1,0,0,0,1|2,0,0]=4 1165 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [0,1,0,0,0,1|0,1,0]=3 1166 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [0,1,0,0,0,1|0,1,0]=3 1167 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,1,0,0,0,1|2,0,0]=4 1168 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,1,0,0,0,1|2,0,0]=4 1169 B9R0.1 CCN(C)CCSC(C)C 2230a_100000225621_100000730970 [0,1,0,0,0,1|2,0,0]=4 1170 B9R0.1 CCN(C)CCSC(C)C 269982a_100000225621_100000730970 [0,1,0,0,0,1|2,0,0]=4 1171 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,1,0,0,0,1|2,0,0]=4 1172 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,1,0,0,0,1|2,0,0]=4 1173 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,1,0,0,0,1|1,1,0]=4 1174 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,1,0,0,0,1|1,1,0]=4 1175 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,1,0,0,0,1|1,0,0]=3 1176 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,1,0,0,0,1|1,0,0]=3 1177 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,1,0,0,0,1|2,0,0]=4 1178 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,1,0,0,0,1|2,0,0]=4 1179 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,1,0,0,0,1|2,0,0]=4 1180 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,1,0,0,0,1|2,0,0]=4 1181 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,1,0,0,0,1|2,0,0]=4 1182 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,1,0,0,0,1|2,0,0]=4 1183 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,1,0,0,0,1|1,1,0]=4 1184 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,1|2,0,0]=4 1185 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,1|2,0,0]=4 1186 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,1,0,0,0,1|1,1,0]=4 1187 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [0,1,0,0,0,1|1,1,0]=4 1188 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [0,1,0,0,0,1|1,0,1]=4 1189 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [0,1,0,0,0,1|1,0,1]=4 1190 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,1,0,0,0,1|1,0,0]=3 1191 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,1,0,0,0,1|1,0,0]=3 1192 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [0,1,0,0,0,1|2,0,0]=4 1193 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [0,1,0,0,0,1|2,0,0]=4 1194 B9R0.1 COC(C)SCCN(C)C 62a_100009879195_100000755713 [0,1,0,0,0,1|2,0,0]=4 1195 B9R0.1 COC(C)SCOC(C)C 62a_100000709892_100009879195 [0,1,0,0,0,1|0,1,0]=3 1196 B9R0.1 COC(C)SCOC(C)C 62a_100009879195_100000709892 [0,1,0,0,0,1|0,1,0]=3 1197 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [0,1,0,0,0,1|2,0,0]=4 1198 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [0,1,0,0,0,1|2,0,0]=4 1199 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,1,0,0,0,1|2,0,0]=4 1200 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,1,0,0,0,1|2,0,0]=4 1201 B9R0.1 C[C@H](CO)SCCN(C)C 62a_100016084084_100000755713 [0,1,0,0,0,1|2,0,0]=4 1202 B9R0.7 CC(=NNC(C)C)C(C)C 4a_100000741168_100000211110 [0,1,0,0,0,1|2,0,0]=4 1203 B9R0.7 CC(C)C=CC(=O)C(C)C 1458a_100016268746_100000210206 [0,1,0,0,0,1|2,0,0]=4 1204 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,1,0,0,0,1|2,0,0]=4 1205 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,1,0,0,0,1|2,0,0]=4 1206 B9R0.7 CC(C)CCN(C)C(C)C 2230a_100000742789_100000210206 [0,1,0,0,0,1|2,0,0]=4 1207 B9R0.7 CC(C)CCN(C)C(C)C 269982a_100000742789_100000210206 [0,1,0,0,0,1|2,0,0]=4 1208 B9R0.7 CC(C)CCN(C)C(C)C 269982a_200000211004_100000210312 [0,1,0,0,0,1|2,0,0]=4 1209 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [0,1,0,0,0,1|2,0,0]=4 1210 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [0,1,0,0,0,1|2,0,0]=4 1211 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [0,1,0,0,0,1|2,0,0]=4 1212 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [0,1,0,0,0,1|2,0,0]=4 1213 B9R0.7 CC(C)CNC(C)C(C)C 2230a_100000211541_100000210760 [0,1,0,0,0,1|2,0,0]=4 1214 B9R0.7 CC(C)CNC(C)C(C)C 270004a_100000211541_100000210432 [0,1,0,0,0,1|2,0,0]=4 1215 B9R0.7 CC(C)COC(C)C(C)C 7a_100000748068_100000210760 [0,1,0,0,0,1|1,1,0]=4 1216 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [0,1,0,0,0,1|2,0,0]=4 1217 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [0,1,0,0,0,1|2,0,0]=4 1218 B9R0.7 CC(C)NCC(O)C(C)C 2230a_100000759067_100000210206 [0,1,0,0,0,1|2,0,0]=4 1219 B9R0.7 CC(C)NCC(O)C(C)C 34a_100000759067_100000210206 [0,1,0,0,0,1|2,0,0]=4 1220 B9R0.7 CC(C)NNC(=O)C(C)C 22a_100000741168_100000210198 [0,1,0,0,0,1|2,0,0]=4 1221 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,1,0,0,0,1|1,1,0]=4 1222 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,1,0,0,0,1|1,1,0]=4 1223 B9R0.7 CC(C)OCN(C)C(C)C 269982a_200000211004_100000709892 [0,1,0,0,0,1|1,1,0]=4 1224 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [0,1,0,0,0,1|1,1,0]=4 1225 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [0,1,0,0,0,1|1,0,0]=3 1226 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [0,1,0,0,0,1|1,0,0]=3 1227 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [0,1,0,0,0,1|1,0,0]=3 1228 B9R0.7 CC(C)SCC(=O)N(C)C 11a_100102631434_100000241585 [0,1,0,0,0,1|2,0,0]=4 1229 B9R0.7 CC(C)SCC(=O)N(C)C 1626a_100102631434_100000241585 [0,1,0,0,0,1|2,0,0]=4 1230 B9R0.7 CC(C)SCC(=O)N(C)C 240690a_100102631434_100000241585 [0,1,0,0,0,1|2,0,0]=4 1231 B9R0.7 CC(C)SCC(=O)N(C)C 527a_100102631434_100000241585 [0,1,0,0,0,1|2,0,0]=4 1232 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000210206_100000692301 [0,1,0,0,0,1|2,0,0]=4 1233 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000692301_100000210206 [0,1,0,0,0,1|2,0,0]=4 1234 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,1,0,0,0,1|2,0,0]=4 1235 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,1,0,0,0,1|2,0,0]=4 1236 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,1,0,0,0,1|2,0,0]=4 1237 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,1,0,0,0,1|2,0,0]=4 1238 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,1,0,0,0,1|2,0,0]=4 1239 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100000692259_100000210206 [0,1,0,0,0,1|2,0,0]=4 1240 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100138425928_100000731052 [0,1,0,0,0,1|2,0,0]=4 1241 B9R0.53 CC(C)CC(C)NC(C)C 34a_100138425928_100000731052 [0,1,0,0,0,1|2,0,0]=4 1242 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,1,0,0,0,1|1,1,0]=4 1243 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,1,0,0,0,1|1,1,0]=4 1244 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,1,0,0,0,1|1,1,0]=4 1245 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000210206_100000731052 [0,1,0,0,0,1|1,0,0]=3 1246 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000731052_100000210206 [0,1,0,0,0,1|1,0,0]=3 1247 B9R0.53 CC(C)CN(C)CC(C)C 2230a_100000201412_200000210301 [0,1,0,0,0,1|2,0,0]=4 1248 B9R0.53 CC(C)CN(C)CC(C)C 2230a_100000747067_100000210760 [0,1,0,0,0,1|2,0,0]=4 1249 B9R0.53 CC(C)CN(C)CC(C)C 269982a_100000201412_200000210301 [0,1,0,0,0,1|2,0,0]=4 1250 B9R0.53 CC(C)CN(C)CC(C)C 269982a_100000747067_100000210624 [0,1,0,0,0,1|2,0,0]=4 1251 B9R0.53 CC(C)CN(C)CC(C)C 270004a_100000747067_100000210432 [0,1,0,0,0,1|2,0,0]=4 1252 B9R0.53 CC(C)CN(C)CC(C)C 34a_100000201412_200000210301 [0,1,0,0,0,1|2,0,0]=4 1253 B9R0.53 CC(C)CN([13CH3])CC(C)C 2230a_100000201412_200025704644 [0,1,0,0,0,1|2,0,0]=4 1254 B9R0.53 CC(C)CN([13CH3])CC(C)C 269982a_100000201412_200025704644 [0,1,0,0,0,1|2,0,0]=4 1255 B9R0.53 CC(C)CN([13CH3])CC(C)C 34a_100000201412_200025704644 [0,1,0,0,0,1|2,0,0]=4 1256 B9R0.53 CC(C)NC(=O)NC(C)C 2708a_100138425928_100138425928 [0,1,0,0,0,1|2,0,0]=4 1257 B9R0.53 CC(C)NC(=O)NC(C)C 512a_100138425928_100138425928 [0,1,0,0,0,1|2,0,0]=4 1258 B9R0.53 CC(C)SC(C)CN(C)C 62a_100000210206_100020606517 [0,1,0,0,0,1|2,0,0]=4 1259 B9R0.53 CC(C)SC(C)CN(C)C 62a_100020606517_100000210206 [0,1,0,0,0,1|2,0,0]=4 1260 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000211941_100000761012 [0,1,0,0,0,1|1,0,1]=4 1261 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000761012_100000211941 [0,1,0,0,0,1|1,0,1]=4 1262 B9R0.56 CC(C)C=NNC(C)(C)C 4a_100000725372_100000210432 [0,1,0,0,0,1|2,0,0]=4 1263 B9R0.56 CC(C)CCNC(C)(C)C 2230a_100000715429_100000210312 [0,1,0,0,0,1|2,0,0]=4 1264 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [0,1,0,0,0,1|1,1,0]=4 1265 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [0,1,0,0,0,1|1,1,0]=4 1266 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [0,1,0,0,0,1|1,1,0]=4 1267 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000210312_100000211941 [0,1,0,0,0,1|1,0,0]=3 1268 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000211941_100000210312 [0,1,0,0,0,1|1,0,0]=3 1269 B9R0.56 CC(C)CNCC(C)(C)C 2230a_100000743828_100000210760 [0,1,0,0,0,1|2,0,0]=4 1270 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000210953_100011204126 [0,1,0,0,0,1|2,0,0]=4 1271 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000743828_100000210432 [0,1,0,0,0,1|2,0,0]=4 1272 B9R0.56 CC(C)CNCC(C)(C)C 34a_100000210953_100011219605 [0,1,0,0,0,1|2,0,0]=4 1273 B9R0.56 CC(C)CNCC(C)(C)F 2230a_100020643315_100000210760 [0,1,0,0,0,1|2,0,0]=4 1274 B9R0.56 CC(C)CNCC(C)(C)F 270004a_100020643315_100000210432 [0,1,0,0,0,1|2,0,0]=4 1275 B9R0.56 CC(C)CNCC(C)(C)F 34a_100000210953_100011997219 [0,1,0,0,0,1|2,0,0]=4 1276 B9R0.56 CC(C)CNCC(C)(C)O 2230a_100000751335_100000210760 [0,1,0,0,0,1|2,0,0]=4 1277 B9R0.56 CC(C)CNCC(C)(C)O 270004a_100000751335_100000210432 [0,1,0,0,0,1|2,0,0]=4 1278 B9R0.56 CC(C)CNCC(C)(C)O 34a_100000210953_100000764493 [0,1,0,0,0,1|2,0,0]=4 1279 B9R0.56 CC(C)COCC(C)(C)C 34a_100000210257_100011219605 [0,1,0,0,0,1|1,1,0]=4 1280 B9R0.56 CC(C)COCC(C)(C)F 34a_100000210257_100011997219 [0,1,0,0,0,1|1,1,0]=4 1281 B9R0.56 CC(C)COCC(C)(C)F 34a_100000716592_100000210624 [0,1,0,0,0,1|1,1,0]=4 1282 B9R0.56 CC(C)COCC(C)(C)O 34a_100000210257_100000764493 [0,1,0,0,0,1|1,1,0]=4 1283 B9R0.56 CC(C)CSCC(C)(C)C 62a_100000210624_100011219605 [0,1,0,0,0,1|1,0,0]=3 1284 B9R0.56 CC(C)CSCC(C)(C)C 62a_100011219605_100000210760 [0,1,0,0,0,1|1,0,0]=3 1285 B9R0.56 CC(C)CSCC(C)(C)F 62a_100000210624_100011997219 [0,1,0,0,0,1|1,0,0]=3 1286 B9R0.56 CC(C)CSCC(C)(C)F 62a_100011997219_100000210760 [0,1,0,0,0,1|1,0,0]=3 1287 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000210624_100000764493 [0,1,0,0,0,1|1,0,0]=3 1288 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000764493_100000210760 [0,1,0,0,0,1|1,0,0]=3 1289 B9R0.56 CC(C)CSC[N+](C)(C)C 62a_100000210624_200000036245 [0,1,0,0,0,1|2,0,0]=4 1290 B9R0.56 CC(C)CSC[N+](C)(C)C 62a_200000036245_100000210760 [0,1,0,0,0,1|2,0,0]=4 1291 B9R0.56 CC(C)CSC[Si](C)(C)C 62a_100000037933_100000210760 [0,1,0,0,0,1|1,1,0]=4 1292 B9R0.56 CC(C)CSC[Si](C)(C)C 62a_100000210624_100000037933 [0,1,0,0,0,1|1,1,0]=4 1293 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100000738805_100000210206 [0,1,0,0,0,1|2,0,0]=4 1294 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100138425928_100000755188 [0,1,0,0,0,1|2,0,0]=4 1295 B9R0.56 CC(C)NCCC(C)(C)C 34a_100138425928_100000755188 [0,1,0,0,0,1|2,0,0]=4 1296 B9R0.56 CC(C)NCCC(C)(C)F 2230a_100016253952_100000210206 [0,1,0,0,0,1|2,0,0]=4 1297 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [0,1,0,0,0,1|2,0,0]=4 1298 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [0,1,0,0,0,1|2,0,0]=4 1299 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [0,1,0,0,0,1|1,1,0]=4 1300 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [0,1,0,0,0,1|1,1,0]=4 1301 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [0,1,0,0,0,1|1,1,0]=4 1302 B9R0.56 CC(C)OCNC(C)(C)C 2230a_100000715429_100000709892 [0,1,0,0,0,1|1,1,0]=4 1303 B9R0.56 CC(C)OCOC(C)(C)C 34a_100015890283_100000709892 [0,1,0,0,0,1|0,2,0]=4 1304 B9R0.56 CC(C)OCSC(C)(C)C 62a_100000211941_100000709892 [0,1,0,0,0,1|0,1,0]=3 1305 B9R0.56 CC(C)OCSC(C)(C)C 62a_100000709892_100000211941 [0,1,0,0,0,1|0,1,0]=3 1306 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000210206_100000755188 [0,1,0,0,0,1|1,0,0]=3 1307 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000755188_100000210206 [0,1,0,0,0,1|1,0,0]=3 1308 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [0,1,0,0,0,1|1,0,0]=3 1309 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [0,1,0,0,0,1|1,0,0]=3 1310 B9R0.56 CC(C)SCC[N+](C)(C)C 62a_100000085578_100000210206 [0,1,0,0,0,1|2,0,0]=4 1311 B9R0.56 CC(C)SCC[N+](C)(C)C 62a_100000210206_100000085578 [0,1,0,0,0,1|2,0,0]=4 1312 B9R0.56 CC(C)SCC[Si](C)(C)C 62a_100000210206_200000733723 [0,1,0,0,0,1|1,1,0]=4 1313 B9R0.56 CC(C)SCC[Si](C)(C)C 62a_200000733723_100000210206 [0,1,0,0,0,1|1,1,0]=4 1314 B9R0.56 CC(O)CCSC(C)(C)C 62a_100000211941_100012276601 [0,1,0,0,0,1|2,0,0]=4 1315 B9R0.56 CC(O)CCSC(C)(C)C 62a_100012276601_100000211941 [0,1,0,0,0,1|2,0,0]=4 1316 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011218427_100011219605 [0,1,0,0,0,1|2,0,0]=4 1317 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011219605_100011218427 [0,1,0,0,0,1|2,0,0]=4 1318 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011218427_100011997219 [0,1,0,0,0,1|2,0,0]=4 1319 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011997219_100011218427 [0,1,0,0,0,1|2,0,0]=4 1320 B9R0.56 CC(O)CSCC(C)(C)O 62a_100000764493_100011218427 [0,1,0,0,0,1|2,0,0]=4 1321 B9R0.56 CC(O)CSCC(C)(C)O 62a_100011218427_100000764493 [0,1,0,0,0,1|2,0,0]=4 1322 B9R0.56 CN(C)CCSC(C)(C)C 62a_100000211941_100000755713 [0,1,0,0,0,1|2,0,0]=4 1323 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100009817552_100011219605 [0,1,0,0,0,1|2,0,0]=4 1324 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100011219605_100009817552 [0,1,0,0,0,1|2,0,0]=4 1325 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100009817552_100011997219 [0,1,0,0,0,1|2,0,0]=4 1326 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100011997219_100009817552 [0,1,0,0,0,1|2,0,0]=4 1327 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100000764493_100009817552 [0,1,0,0,0,1|2,0,0]=4 1328 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100009817552_100000764493 [0,1,0,0,0,1|2,0,0]=4 1329 B9R0.21 C#CC(C)SCC(C)(C)C 62a_200000035995_100011219605 [0,2,0,0,0,0|1,0,1]=4 1330 B9R0.21 C#CC(C)SCC(C)(C)F 62a_200000035995_100011997219 [0,2,0,0,0,0|1,0,1]=4 1331 B9R0.21 C#CC(C)SCC(C)(C)O 62a_200000035995_100000764493 [0,2,0,0,0,0|1,0,1]=4 1332 B9R0.21 C=CC(C)SCC(C)(C)C 62a_100011215867_100011219605 [0,2,0,0,0,0|1,0,1]=4 1333 B9R0.21 C=CC(C)SCC(C)(C)F 62a_100011215867_100011997219 [0,2,0,0,0,0|1,0,1]=4 1334 B9R0.21 C=CC(C)SCC(C)(C)O 62a_100011215867_100000764493 [0,2,0,0,0,0|1,0,1]=4 1335 B9R0.21 CC(C#N)SCC(C)(C)C 62a_100000703298_100011219605 [0,2,0,0,0,0|1,0,1]=4 1336 B9R0.21 CC(C#N)SCC(C)(C)C 62a_100011219605_100000703298 [0,2,0,0,0,0|1,0,1]=4 1337 B9R0.21 CC(C#N)SCC(C)(C)F 62a_100000703298_100011997219 [0,2,0,0,0,0|1,0,1]=4 1338 B9R0.21 CC(C#N)SCC(C)(C)F 62a_100011997219_100000703298 [0,2,0,0,0,0|1,0,1]=4 1339 B9R0.21 CC(C#N)SCC(C)(C)O 62a_100000703298_100000764493 [0,2,0,0,0,0|1,0,1]=4 1340 B9R0.21 CC(C#N)SCC(C)(C)O 62a_100000764493_100000703298 [0,2,0,0,0,0|1,0,1]=4 1341 B9R0.21 CC(C)(C)SCC(O)CO 62a_100000211941_100011219619 [0,2,0,0,0,0|2,0,0]=4 1342 B9R0.21 CC(C)(C)SCC(O)CO 62a_100011219619_100000211941 [0,2,0,0,0,0|2,0,0]=4 1343 B9R0.21 CC(C)(C)SC[C@@H](O)CF 62a_100000211941_100015614560 [0,2,0,0,0,0|2,0,0]=4 1344 B9R0.21 CC(C)(C)SC[C@@H](O)CF 62a_100015614560_100000211941 [0,2,0,0,0,0|2,0,0]=4 1345 B9R0.21 CC(C)(C)SC[C@@H](O)CO 62a_100000211941_100009815848 [0,2,0,0,0,0|2,0,0]=4 1346 B9R0.21 CC(C)(C)SC[C@@H](O)CO 62a_100009815848_100000211941 [0,2,0,0,0,0|2,0,0]=4 1347 B9R0.21 CC(CF)OCC(C)(C)C 34a_100016041109_100011219605 [0,2,0,0,0,0|1,1,0]=4 1348 B9R0.21 CC(CF)OCC(C)(C)F 34a_100016041109_100011997219 [0,2,0,0,0,0|1,1,0]=4 1349 B9R0.21 CC(CF)OCC(C)(C)O 34a_100016041109_100000764493 [0,2,0,0,0,0|1,1,0]=4 1350 B9R0.21 CC(CF)OCC(C)(C)O 7a_100016041109_100000764493 [0,2,0,0,0,0|1,1,0]=4 1351 B9R0.21 CC(CN)COC(C)(C)C 34a_100000744482_100000210625 [0,2,0,0,0,0|1,1,0]=4 1352 B9R0.21 CC(CN)OCC(C)(C)C 34a_100000210904_100011219605 [0,2,0,0,0,0|1,1,0]=4 1353 B9R0.21 CC(CN)OCC(C)(C)F 34a_100000210904_100011997219 [0,2,0,0,0,0|1,1,0]=4 1354 B9R0.21 CC(CN)OCC(C)(C)O 34a_100000210904_100000764493 [0,2,0,0,0,0|1,1,0]=4 1355 B9R0.21 CC(CO)CNC(C)(C)C 34a_100000744482_100000210625 [0,2,0,0,0,0|2,0,0]=4 1356 B9R0.21 CC(CO)NCC(C)(C)C 2230a_100000743828_100012180447 [0,2,0,0,0,0|2,0,0]=4 1357 B9R0.21 CC(CO)NCC(C)(C)F 2230a_100020643315_100012180447 [0,2,0,0,0,0|2,0,0]=4 1358 B9R0.21 CC(CO)NCC(C)(C)O 2230a_100000751335_100012180447 [0,2,0,0,0,0|2,0,0]=4 1359 B9R0.21 CC(CO)OCC(C)(C)F 34a_100000716592_100012180447 [0,2,0,0,0,0|1,1,0]=4 1360 B9R0.21 CC(CO)SCC(C)(C)C 62a_100012180447_100011219605 [0,2,0,0,0,0|1,0,0]=3 1361 B9R0.21 CC(CO)SCC(C)(C)F 62a_100012180447_100011997219 [0,2,0,0,0,0|1,0,0]=3 1362 B9R0.21 CC(CO)SCC(C)(C)O 62a_100012180447_100000764493 [0,2,0,0,0,0|1,0,0]=3 1363 B9R0.21 CC(CO)SC[N+](C)(C)C 62a_100012180447_200000036245 [0,2,0,0,0,0|2,0,0]=4 1364 B9R0.21 CC(CO)SC[Si](C)(C)C 62a_100012180447_100000037933 [0,2,0,0,0,0|1,1,0]=4 1365 B9R0.21 CC(COC(C)(C)C)O[13CH3] 7a_100011215624_200025704644 [0,2,0,0,0,0|1,1,0]=4 1366 B9R0.21 CCC(C)CNC(C)(C)C 2230a_100000715429_100000748023 [0,2,0,0,0,0|2,0,0]=4 1367 B9R0.21 CCC(C)COC(C)(C)C 34a_100015890283_100000748023 [0,2,0,0,0,0|1,1,0]=4 1368 B9R0.21 CCC(C)COC(C)(C)C 7a_100015890283_100000748023 [0,2,0,0,0,0|1,1,0]=4 1369 B9R0.21 CCC(C)CSC(C)(C)C 62a_100000211941_100000748023 [0,2,0,0,0,0|1,0,0]=3 1370 B9R0.21 CCC(C)CSC(C)(C)C 62a_100000748023_100000211941 [0,2,0,0,0,0|1,0,0]=3 1371 B9R0.21 CCC(C)NCC(C)(C)C 2230a_100000743828_100000758301 [0,2,0,0,0,0|2,0,0]=4 1372 B9R0.21 CCC(C)NCC(C)(C)C 270004a_100000209981_100011204126 [0,2,0,0,0,0|2,0,0]=4 1373 B9R0.21 CCC(C)NCC(C)(C)F 2230a_100020643315_100000758301 [0,2,0,0,0,0|2,0,0]=4 1374 B9R0.21 CCC(C)NCC(C)(C)O 2230a_100000751335_100000758301 [0,2,0,0,0,0|2,0,0]=4 1375 B9R0.21 CCC(C)OCC(C)(C)F 34a_100000716592_100011215416 [0,2,0,0,0,0|1,1,0]=4 1376 B9R0.21 CCC(C)OCC(C)(C)O 7a_100000210228_100000764493 [0,2,0,0,0,0|1,1,0]=4 1377 B9R0.21 CCC(C)SCC(C)(C)C 62a_100000758301_100011219605 [0,2,0,0,0,0|1,0,0]=3 1378 B9R0.21 CCC(C)SCC(C)(C)C 62a_100011219605_100000758301 [0,2,0,0,0,0|1,0,0]=3 1379 B9R0.21 CCC(C)SCC(C)(C)F 62a_100000758301_100011997219 [0,2,0,0,0,0|1,0,0]=3 1380 B9R0.21 CCC(C)SCC(C)(C)F 62a_100011997219_100000758301 [0,2,0,0,0,0|1,0,0]=3 1381 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000758301_100000764493 [0,2,0,0,0,0|1,0,0]=3 1382 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000764493_100000758301 [0,2,0,0,0,0|1,0,0]=3 1383 B9R0.21 CCC(C)SC[N+](C)(C)C 62a_100000758301_200000036245 [0,2,0,0,0,0|2,0,0]=4 1384 B9R0.21 CCC(C)SC[N+](C)(C)C 62a_200000036245_100000758301 [0,2,0,0,0,0|2,0,0]=4 1385 B9R0.21 CCC(C)SC[Si](C)(C)C 62a_100000037933_100000758301 [0,2,0,0,0,0|1,1,0]=4 1386 B9R0.21 CCC(C)SC[Si](C)(C)C 62a_100000758301_100000037933 [0,2,0,0,0,0|1,1,0]=4 1387 B9R0.21 CCC(O)CSC(C)(C)C 62a_100000211941_100011218378 [0,2,0,0,0,0|2,0,0]=4 1388 B9R0.21 CCC(O)CSC(C)(C)C 62a_100011218378_100000211941 [0,2,0,0,0,0|2,0,0]=4 1389 B9R0.21 CC[C@H](C)CNC(C)(C)C 2230a_100000715429_100009816398 [0,2,0,0,0,0|2,0,0]=4 1390 B9R0.21 CC[C@H](C)COC(C)(C)C 34a_100015890283_100009816398 [0,2,0,0,0,0|1,1,0]=4 1391 B9R0.21 CC[C@H](C)COC(C)(C)C 7a_100015890283_100009816398 [0,2,0,0,0,0|1,1,0]=4 1392 B9R0.21 CC[C@H](C)CSC(C)(C)C 62a_100000211941_100009816398 [0,2,0,0,0,0|1,0,0]=3 1393 B9R0.21 CC[C@H](C)CSC(C)(C)C 62a_100009816398_100000211941 [0,2,0,0,0,0|1,0,0]=3 1394 B9R0.21 CNC(C)CSC(C)(C)C 270004a_106832991635_100000175412 [0,2,0,0,0,0|1,0,0]=3 1395 B9R0.21 COC(C)COC(C)(C)C 34a_100000690652_100000210625 [0,2,0,0,0,0|1,1,0]=4 1396 B9R0.21 COC(C)COC(C)(C)C 7a_100011215624_200000210301 [0,2,0,0,0,0|1,1,0]=4 1397 B9R0.21 COC(C)SCC(C)(C)C 62a_100009879195_100011219605 [0,2,0,0,0,0|1,0,0]=3 1398 B9R0.21 COC(C)SCC(C)(C)C 62a_100011219605_100009879195 [0,2,0,0,0,0|1,0,0]=3 1399 B9R0.21 COC(C)SCC(C)(C)F 62a_100009879195_100011997219 [0,2,0,0,0,0|1,0,0]=3 1400 B9R0.21 COC(C)SCC(C)(C)F 62a_100011997219_100009879195 [0,2,0,0,0,0|1,0,0]=3 1401 B9R0.21 COC(C)SCC(C)(C)O 62a_100000764493_100009879195 [0,2,0,0,0,0|1,0,0]=3 1402 B9R0.21 COC(C)SCC(C)(C)O 62a_100009879195_100000764493 [0,2,0,0,0,0|1,0,0]=3 1403 B9R0.21 COC(C)SC[N+](C)(C)C 62a_100009879195_200000036245 [0,2,0,0,0,0|2,0,0]=4 1404 B9R0.21 COC(C)SC[N+](C)(C)C 62a_200000036245_100009879195 [0,2,0,0,0,0|2,0,0]=4 1405 B9R0.21 COC(C)SC[Si](C)(C)C 62a_100000037933_100009879195 [0,2,0,0,0,0|1,1,0]=4 1406 B9R0.21 COC(C)SC[Si](C)(C)C 62a_100009879195_100000037933 [0,2,0,0,0,0|1,1,0]=4 1407 B9R0.21 C[C@@H](CO)CNC(C)(C)C 2230a_100000715429_100000059175 [0,2,0,0,0,0|2,0,0]=4 1408 B9R0.21 C[C@@H](CO)COC(C)(C)C 34a_100015890283_100000059175 [0,2,0,0,0,0|1,1,0]=4 1409 B9R0.21 C[C@@H](CO)COC(C)(C)C 7a_100015890283_100000059175 [0,2,0,0,0,0|1,1,0]=4 1410 B9R0.21 C[C@@H](CO)CSC(C)(C)C 62a_100000059175_100000211941 [0,2,0,0,0,0|1,0,0]=3 1411 B9R0.21 C[C@@H](CO)CSC(C)(C)C 62a_100000211941_100000059175 [0,2,0,0,0,0|1,0,0]=3 1412 B9R0.21 C[C@H](CF)NCC(C)(C)C 270004a_100102880703_100011204126 [0,2,0,0,0,0|2,0,0]=4 1413 B9R0.21 C[C@H](CO)NCC(C)(C)C 270004a_100000737577_100011204126 [0,2,0,0,0,0|2,0,0]=4 1414 B9R0.21 C[C@H](CO)SCC(C)(C)C 62a_100011219605_100016084084 [0,2,0,0,0,0|1,0,0]=3 1415 B9R0.21 C[C@H](CO)SCC(C)(C)C 62a_100016084084_100011219605 [0,2,0,0,0,0|1,0,0]=3 1416 B9R0.21 C[C@H](CO)SCC(C)(C)F 62a_100011997219_100016084084 [0,2,0,0,0,0|1,0,0]=3 1417 B9R0.21 C[C@H](CO)SCC(C)(C)F 62a_100016084084_100011997219 [0,2,0,0,0,0|1,0,0]=3 1418 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100000764493_100016084084 [0,2,0,0,0,0|1,0,0]=3 1419 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100016084084_100000764493 [0,2,0,0,0,0|1,0,0]=3 1420 B9R0.21 C[C@H](CO)SC[N+](C)(C)C 62a_100016084084_200000036245 [0,2,0,0,0,0|2,0,0]=4 1421 B9R0.21 C[C@H](CO)SC[N+](C)(C)C 62a_200000036245_100016084084 [0,2,0,0,0,0|2,0,0]=4 1422 B9R0.21 C[C@H](CO)SC[Si](C)(C)C 62a_100000037933_100016084084 [0,2,0,0,0,0|1,1,0]=4 1423 B9R0.21 C[C@H](CO)SC[Si](C)(C)C 62a_100016084084_100000037933 [0,2,0,0,0,0|1,1,0]=4 1424 B9R0.23 C=C(CC(C)C)C(C)NC 269862a_106832991636_100009860644 [0,2,0,0,0,0|2,0,0]=4 1425 B9R0.23 CC(C)CN(C)C(C)CO 2230a_100000693034_100000210760 [0,2,0,0,0,0|2,0,0]=4 1426 B9R0.23 CC(C)CN(C)C(C)CO 2230a_100000747067_100012180447 [0,2,0,0,0,0|2,0,0]=4 1427 B9R0.23 CC(C)CN(C)C(C)CO 269982a_100000693034_100000210624 [0,2,0,0,0,0|2,0,0]=4 1428 B9R0.23 CC(C)CN(C)C(C)CO 270004a_100000693034_100000210432 [0,2,0,0,0,0|2,0,0]=4 1429 B9R0.23 CC(C)CN(C)[C@H](C)CO 269982a_100000747067_100016084084 [0,2,0,0,0,0|2,0,0]=4 1430 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 2230a_100015205314_200025704644 [0,2,0,0,0,0|2,0,0]=4 1431 B9R0.23 CC(C)NC(=O)C(C)N[13CH3] 34a_100015205314_200025704644 [0,2,0,0,0,0|2,0,0]=4 1432 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_100000195394_200025704644 [0,2,0,0,0,0|2,0,0]=4 1433 B9R0.23 CC(C)NC(=O)C(C)S[13CH3] 62a_200025704644_100000195394 [0,2,0,0,0,0|2,0,0]=4 1434 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [0,2,0,0,0,0|1,1,0]=4 1435 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [0,2,0,0,0,0|1,1,0]=4 1436 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,2,0,0,0,0|2,0,0]=4 1437 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,2,0,0,0,0|2,0,0]=4 1438 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 1439 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 1440 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 1441 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [0,2,0,0,0,0|2,0,0]=4 1442 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [0,2,0,0,0,0|1,1,0]=4 1443 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000741768_100000210760 [0,2,0,0,0,0|2,0,0]=4 1444 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000747067_100000758301 [0,2,0,0,0,0|2,0,0]=4 1445 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000741768_100000210624 [0,2,0,0,0,0|2,0,0]=4 1446 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000747067_100000758301 [0,2,0,0,0,0|2,0,0]=4 1447 B9R0.23 CCC(C)N(C)CC(C)C 270004a_100000741768_100000210432 [0,2,0,0,0,0|2,0,0]=4 1448 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_100015205314_200000210301 [0,2,0,0,0,0|2,0,0]=4 1449 B9R0.23 CNC(C)C(=O)NC(C)C 2230a_106832991635_100000195394 [0,2,0,0,0,0|2,0,0]=4 1450 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100015205314_200000210301 [0,2,0,0,0,0|2,0,0]=4 1451 B9R0.23 CNC(C)C(=O)NC(C)C 34a_100102657272_100000195394 [0,2,0,0,0,0|2,0,0]=4 1452 B9R0.23 CNC(C)C(=O)NC(C)C 7a_106832991635_100000195394 [0,2,0,0,0,0|2,0,0]=4 1453 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [0,2,0,0,0,0|2,0,0]=4 1454 B9R0.23 COC(C)C(=O)NC(C)C 11a_100138425928_100000743197 [0,2,0,0,0,0|2,0,0]=4 1455 B9R0.23 COC(C)C(=O)NC(C)C 1626a_100138425928_100000743197 [0,2,0,0,0,0|2,0,0]=4 1456 B9R0.23 COC(C)C(=O)NC(C)C 240690a_100138425928_100000743197 [0,2,0,0,0,0|2,0,0]=4 1457 B9R0.23 COC(C)C(=O)NC(C)C 34a_100138415774_100000195394 [0,2,0,0,0,0|2,0,0]=4 1458 B9R0.23 COC(C)C(=O)NC(C)C 527a_100138425928_100000743197 [0,2,0,0,0,0|2,0,0]=4 1459 B9R0.23 COC(C)N(C)CC(C)C 269982a_100000747067_100009879195 [0,2,0,0,0,0|2,0,0]=4 1460 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [0,2,0,0,0,0|1,1,0]=4 1461 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [0,2,0,0,0,0|1,1,0]=4 1462 B9R0.23 CSC(C)C(=O)CC(C)C 1458a_100000149566_100000210624 [0,2,0,0,0,0|2,0,0]=4 1463 B9R0.23 CSC(C)C(=O)NC(C)C 11a_100138425928_100000149566 [0,2,0,0,0,0|2,0,0]=4 1464 B9R0.23 CSC(C)C(=O)NC(C)C 1626a_100138425928_100000149566 [0,2,0,0,0,0|2,0,0]=4 1465 B9R0.23 CSC(C)C(=O)NC(C)C 240690a_100138425928_100000149566 [0,2,0,0,0,0|2,0,0]=4 1466 B9R0.23 CSC(C)C(=O)NC(C)C 527a_100138425928_100000149566 [0,2,0,0,0,0|2,0,0]=4 1467 B9R0.23 CSC(C)C(=O)NC(C)C 62a_100000195394_200000210301 [0,2,0,0,0,0|2,0,0]=4 1468 B9R0.23 CSC(C)C(=O)NC(C)C 62a_200000210301_100000195394 [0,2,0,0,0,0|2,0,0]=4 1469 B9R0.24 C#CC(C)SCC(C)CC 62a_200000035995_100000748023 [0,2,0,0,0,0|1,0,1]=4 1470 B9R0.24 C#CC(C)SC[C@@H](C)CC 62a_200000035995_100009816398 [0,2,0,0,0,0|1,0,1]=4 1471 B9R0.24 C#CC(C)SC[C@@H](C)CO 62a_200000035995_100000059175 [0,2,0,0,0,0|1,0,1]=4 1472 B9R0.24 C=CC(C)SCC(C)CC 62a_100011215867_100000748023 [0,2,0,0,0,0|1,0,1]=4 1473 B9R0.24 C=CC(C)SC[C@@H](C)CC 62a_100011215867_100009816398 [0,2,0,0,0,0|1,0,1]=4 1474 B9R0.24 C=CC(C)SC[C@@H](C)CO 62a_100011215867_100000059175 [0,2,0,0,0,0|1,0,1]=4 1475 B9R0.24 CC(C#N)SC[C@@H](C)CO 62a_100000059175_100000703298 [0,2,0,0,0,0|1,0,1]=4 1476 B9R0.24 CC(C#N)SC[C@@H](C)CO 62a_100000703298_100000059175 [0,2,0,0,0,0|1,0,1]=4 1477 B9R0.24 CC(CF)OC[C@@H](C)CO 34a_100016041109_100000059175 [0,2,0,0,0,0|1,1,0]=4 1478 B9R0.24 CC(CF)OC[C@@H](C)CO 7a_100016041109_100000059175 [0,2,0,0,0,0|1,1,0]=4 1479 B9R0.24 CC(CN)COC(C)CO 34a_100000744482_100012180447 [0,2,0,0,0,0|1,1,0]=4 1480 B9R0.24 CC(CN)OC[C@@H](C)CO 34a_100000210904_100000059175 [0,2,0,0,0,0|1,1,0]=4 1481 B9R0.24 CC(CO)CNC(C)CO 34a_100000744482_100012180447 [0,2,0,0,0,0|2,0,0]=4 1482 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [0,2,0,0,0,0|2,0,0]=4 1483 B9R0.24 CC(CO)SC[C@@H](C)CO 62a_100012180447_100000059175 [0,2,0,0,0,0|1,0,0]=3 1484 B9R0.24 CC(CO)SC[C@@H](O)CF 62a_100012180447_100015614560 [0,2,0,0,0,0|2,0,0]=4 1485 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [0,2,0,0,0,0|2,0,0]=4 1486 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,2,0,0,0,0|2,0,0]=4 1487 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,2,0,0,0,0|2,0,0]=4 1488 B9R0.24 CCC(C)CNC(C)CC 2230a_100000209981_100000748023 [0,2,0,0,0,0|2,0,0]=4 1489 B9R0.24 CCC(C)CNC(C)CC 2230a_100020588543_100000758301 [0,2,0,0,0,0|2,0,0]=4 1490 B9R0.24 CCC(C)CNC(C)CC 270004a_100000209981_100000243153 [0,2,0,0,0,0|2,0,0]=4 1491 B9R0.24 CCC(C)CNC(C)CO 2230a_100020588543_100012180447 [0,2,0,0,0,0|2,0,0]=4 1492 B9R0.24 CCC(C)CN[C@H](C)CF 270004a_100102880703_100000243153 [0,2,0,0,0,0|2,0,0]=4 1493 B9R0.24 CCC(C)CN[C@H](C)CO 2230a_100000737577_100000748023 [0,2,0,0,0,0|2,0,0]=4 1494 B9R0.24 CCC(C)CN[C@H](C)CO 270004a_100000737577_100000243153 [0,2,0,0,0,0|2,0,0]=4 1495 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [0,2,0,0,0,0|1,1,0]=4 1496 B9R0.24 CCC(C)COC(C)CF 34a_100016041109_100000748023 [0,2,0,0,0,0|1,1,0]=4 1497 B9R0.24 CCC(C)COC(C)CF 7a_100016041109_100000748023 [0,2,0,0,0,0|1,1,0]=4 1498 B9R0.24 CCC(C)COC(C)CN 34a_100000210904_100000748023 [0,2,0,0,0,0|1,1,0]=4 1499 B9R0.24 CCC(C)CSC(C)C#N 62a_100000703298_100000748023 [0,2,0,0,0,0|1,0,1]=4 1500 B9R0.24 CCC(C)CSC(C)C#N 62a_100000748023_100000703298 [0,2,0,0,0,0|1,0,1]=4 1501 B9R0.24 CCC(C)CSC(C)CC 62a_100000748023_100000758301 [0,2,0,0,0,0|1,0,0]=3 1502 B9R0.24 CCC(C)CSC(C)CC 62a_100000758301_100000748023 [0,2,0,0,0,0|1,0,0]=3 1503 B9R0.24 CCC(C)CSC(C)CO 62a_100012180447_100000748023 [0,2,0,0,0,0|1,0,0]=3 1504 B9R0.24 CCC(C)CSC(C)OC 62a_100000748023_100009879195 [0,2,0,0,0,0|1,0,0]=3 1505 B9R0.24 CCC(C)CSC(C)OC 62a_100009879195_100000748023 [0,2,0,0,0,0|1,0,0]=3 1506 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100000748023_100016084084 [0,2,0,0,0,0|1,0,0]=3 1507 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100016084084_100000748023 [0,2,0,0,0,0|1,0,0]=3 1508 B9R0.24 CCC(C)NCC(C)CO 34a_100000744482_100011215416 [0,2,0,0,0,0|2,0,0]=4 1509 B9R0.24 CCC(C)NC[C@@H](C)CC 2230a_100000209981_100009816398 [0,2,0,0,0,0|2,0,0]=4 1510 B9R0.24 CCC(C)NC[C@@H](C)CO 2230a_100000209981_100000059175 [0,2,0,0,0,0|2,0,0]=4 1511 B9R0.24 CCC(C)NC[C@@H](C)OC 2230a_100020591295_100000758301 [0,2,0,0,0,0|2,0,0]=4 1512 B9R0.24 CCC(C)OCC(C)CN 34a_100000744482_100011215416 [0,2,0,0,0,0|1,1,0]=4 1513 B9R0.24 CCC(C)OCC(C)OC 34a_100000690652_100011215416 [0,2,0,0,0,0|1,1,0]=4 1514 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [0,2,0,0,0,0|1,1,0]=4 1515 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [0,2,0,0,0,0|1,1,0]=4 1516 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [0,2,0,0,0,0|1,1,0]=4 1517 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,2,0,0,0,0|2,0,0]=4 1518 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,2,0,0,0,0|2,0,0]=4 1519 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100000758301_100009816398 [0,2,0,0,0,0|1,0,0]=3 1520 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100009816398_100000758301 [0,2,0,0,0,0|1,0,0]=3 1521 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [0,2,0,0,0,0|1,0,0]=3 1522 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [0,2,0,0,0,0|1,0,0]=3 1523 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100000758301_100015614560 [0,2,0,0,0,0|2,0,0]=4 1524 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100015614560_100000758301 [0,2,0,0,0,0|2,0,0]=4 1525 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,2,0,0,0,0|2,0,0]=4 1526 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,2,0,0,0,0|2,0,0]=4 1527 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [0,2,0,0,0,0|2,0,0]=4 1528 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [0,2,0,0,0,0|2,0,0]=4 1529 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [0,2,0,0,0,0|2,0,0]=4 1530 B9R0.24 CCC(O)CSC(C)OC 62a_100009879195_100011218378 [0,2,0,0,0,0|2,0,0]=4 1531 B9R0.24 CCC(O)CSC(C)OC 62a_100011218378_100009879195 [0,2,0,0,0,0|2,0,0]=4 1532 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [0,2,0,0,0,0|2,0,0]=4 1533 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [0,2,0,0,0,0|2,0,0]=4 1534 B9R0.24 CC[C@H](C)CN[C@H](C)CO 2230a_100000737577_100009816398 [0,2,0,0,0,0|2,0,0]=4 1535 B9R0.24 CC[C@H](C)COC(C)CF 34a_100016041109_100009816398 [0,2,0,0,0,0|1,1,0]=4 1536 B9R0.24 CC[C@H](C)COC(C)CF 7a_100016041109_100009816398 [0,2,0,0,0,0|1,1,0]=4 1537 B9R0.24 CC[C@H](C)COC(C)CN 34a_100000210904_100009816398 [0,2,0,0,0,0|1,1,0]=4 1538 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [0,2,0,0,0,0|1,1,0]=4 1539 B9R0.24 CC[C@H](C)CSC(C)C#N 62a_100000703298_100009816398 [0,2,0,0,0,0|1,0,1]=4 1540 B9R0.24 CC[C@H](C)CSC(C)C#N 62a_100009816398_100000703298 [0,2,0,0,0,0|1,0,1]=4 1541 B9R0.24 CC[C@H](C)CSC(C)CO 62a_100012180447_100009816398 [0,2,0,0,0,0|1,0,0]=3 1542 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009816398_100009879195 [0,2,0,0,0,0|1,0,0]=3 1543 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009879195_100009816398 [0,2,0,0,0,0|1,0,0]=3 1544 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100009816398_100016084084 [0,2,0,0,0,0|1,0,0]=3 1545 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100016084084_100009816398 [0,2,0,0,0,0|1,0,0]=3 1546 B9R0.24 COC(C)COC(C)CO 34a_100000690652_100012180447 [0,2,0,0,0,0|1,1,0]=4 1547 B9R0.24 COC(C)SCC(O)CO 62a_100009879195_100011219619 [0,2,0,0,0,0|2,0,0]=4 1548 B9R0.24 COC(C)SCC(O)CO 62a_100011219619_100009879195 [0,2,0,0,0,0|2,0,0]=4 1549 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100000059175_100009879195 [0,2,0,0,0,0|1,0,0]=3 1550 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100009879195_100000059175 [0,2,0,0,0,0|1,0,0]=3 1551 B9R0.24 COC(C)SC[C@@H](O)CF 62a_100009879195_100015614560 [0,2,0,0,0,0|2,0,0]=4 1552 B9R0.24 COC(C)SC[C@@H](O)CF 62a_100015614560_100009879195 [0,2,0,0,0,0|2,0,0]=4 1553 B9R0.24 COC(C)SC[C@@H](O)CO 62a_100009815848_100009879195 [0,2,0,0,0,0|2,0,0]=4 1554 B9R0.24 COC(C)SC[C@@H](O)CO 62a_100009879195_100009815848 [0,2,0,0,0,0|2,0,0]=4 1555 B9R0.24 CO[C@H](C)CNC(C)CO 2230a_100020591295_100012180447 [0,2,0,0,0,0|2,0,0]=4 1556 B9R0.24 C[C@@H](CO)CN[C@H](C)CO 2230a_100000737577_100000059175 [0,2,0,0,0,0|2,0,0]=4 1557 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100000059175_100016084084 [0,2,0,0,0,0|1,0,0]=3 1558 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100016084084_100000059175 [0,2,0,0,0,0|1,0,0]=3 1559 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [0,2,0,0,0,0|2,0,0]=4 1560 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [0,2,0,0,0,0|2,0,0]=4 1561 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100015614560_100016084084 [0,2,0,0,0,0|2,0,0]=4 1562 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100016084084_100015614560 [0,2,0,0,0,0|2,0,0]=4 1563 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [0,2,0,0,0,0|2,0,0]=4 1564 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [0,2,0,0,0,0|2,0,0]=4 1565 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,2,0,0,0,0|2,0,0]=4 1566 B9R0.42 CC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 1567 B9R0.42 CC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 1568 B9R0.42 CC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 1569 B9R0.42 CC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000210198 [0,2,0,0,0,0|2,0,0]=4 1570 B9R0.42 CC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000210198 [0,2,0,0,0,0|2,0,0]=4 1571 B9R0.42 CC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000210198 [0,2,0,0,0,0|2,0,0]=4 1572 B9R0.42 CC(C)N(C)C[C@@H](C)CO 269982a_200000211004_100000059175 [0,2,0,0,0,0|2,0,0]=4 1573 B9R0.42 CC(CO)NC(C)C(C)C 2230a_100000211541_100012180447 [0,2,0,0,0,0|2,0,0]=4 1574 B9R0.42 CC(CO)OC(C)C(C)C 7a_100000748068_100012180447 [0,2,0,0,0,0|1,1,0]=4 1575 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,2,0,0,0,0|2,0,0]=4 1576 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,2,0,0,0,0|2,0,0]=4 1577 B9R0.42 CCC(C)CN(C)C(C)C 2230a_100000753921_100000210206 [0,2,0,0,0,0|2,0,0]=4 1578 B9R0.42 CCC(C)CN(C)C(C)C 269982a_100000753921_100000210206 [0,2,0,0,0,0|2,0,0]=4 1579 B9R0.42 CCC(C)CN(C)C(C)C 269982a_200000211004_100000748023 [0,2,0,0,0,0|2,0,0]=4 1580 B9R0.42 CCC(C)CN(C)C(C)C 270004a_200000211004_100000243153 [0,2,0,0,0,0|2,0,0]=4 1581 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 1582 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 1583 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [0,2,0,0,0,0|2,0,0]=4 1585 B9R0.42 CCC(C)NC(C)C(C)C 2230a_100000211541_100000758301 [0,2,0,0,0,0|2,0,0]=4 1586 B9R0.42 CCC(C)OC(C)C(C)C 7a_100000748068_100000758301 [0,2,0,0,0,0|1,1,0]=4 1587 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,2,0,0,0,0|2,0,0]=4 1588 B9R0.42 CC[C@H](C)CN(C)C(C)C 269982a_200000211004_100009816398 [0,2,0,0,0,0|2,0,0]=4 1589 B9R0.43 CC(C)CNC(CO)CO 2230a_100000759517_100000210760 [0,2,0,0,0,0|2,0,0]=4 1590 B9R0.43 CC(C)COC(CCl)CCl 7a_100000737055_100000210760 [0,2,0,0,0,0|1,1,0]=4 1591 B9R0.43 CC(C)COC(CF)CF 34a_100000032261_100000210624 [0,2,0,0,0,0|1,1,0]=4 1592 B9R0.43 CC(C)COC(CF)CF 7a_100000032261_100000210760 [0,2,0,0,0,0|1,1,0]=4 1593 B9R0.43 CC(C)COC(CN)CN 34a_100000031598_100000210624 [0,2,0,0,0,0|1,1,0]=4 1594 B9R0.43 CC(C)CO[C@@H](CF)CCl 34a_100015614560_100000210624 [0,2,0,0,0,0|1,1,0]=4 1595 B9R0.43 CC(C)CO[C@@H](CF)CCl 7a_100015614560_100000210760 [0,2,0,0,0,0|1,1,0]=4 1596 B9R0.43 CCC(CC)CNC(C)C 2230a_100102946423_100000210206 [0,2,0,0,0,0|2,0,0]=4 1597 B9R0.43 CCC(CC)CNC(C)C 2230a_100138425928_100011215472 [0,2,0,0,0,0|2,0,0]=4 1598 B9R0.43 CCC(CC)CNC(C)C 34a_100138425928_100011215472 [0,2,0,0,0,0|2,0,0]=4 1599 B9R0.43 CCC(CC)COC(C)C 34a_100000212225_100011215472 [0,2,0,0,0,0|1,1,0]=4 1600 B9R0.43 CCC(CC)COC(C)C 7a_100000703878_100000210206 [0,2,0,0,0,0|1,1,0]=4 1601 B9R0.43 CCC(CC)CSC(C)C 62a_100000210206_100011215472 [0,2,0,0,0,0|1,0,0]=3 1602 B9R0.43 CCC(CC)CSC(C)C 62a_100011215472_100000210206 [0,2,0,0,0,0|1,0,0]=3 1603 B9R0.43 CCC(CC)NCC(C)C 2230a_100000199018_100000210760 [0,2,0,0,0,0|2,0,0]=4 1604 B9R0.43 CCC(CC)NCC(C)C 270004a_100000199018_100000210432 [0,2,0,0,0,0|2,0,0]=4 1605 B9R0.43 CCC(CC)NCC(C)C 270004a_100000210953_100000210860 [0,2,0,0,0,0|2,0,0]=4 1606 B9R0.43 CCC(CC)OCC(C)C 7a_100000688536_100000210760 [0,2,0,0,0,0|1,1,0]=4 1607 B9R0.43 CCC(CC)SCC(C)C 62a_100000210505_100000210760 [0,2,0,0,0,0|1,0,0]=3 1608 B9R0.43 CCC(CC)SCC(C)C 62a_100000210624_100000210505 [0,2,0,0,0,0|1,0,0]=3 1609 B9R0.43 CCC(CC)SCC(C)O 62a_100000210505_100011218427 [0,2,0,0,0,0|2,0,0]=4 1610 B9R0.43 CCC(CC)SCC(C)O 62a_100011218427_100000210505 [0,2,0,0,0,0|2,0,0]=4 1611 B9R0.43 CCC(CC)SC[C@@H](C)O 62a_100000210505_100009817552 [0,2,0,0,0,0|2,0,0]=4 1612 B9R0.43 CCC(CC)SC[C@@H](C)O 62a_100009817552_100000210505 [0,2,0,0,0,0|2,0,0]=4 1613 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [0,2,0,0,0,0|2,0,0]=4 1614 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [0,2,0,0,0,0|2,0,0]=4 1615 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [0,2,0,0,0,0|2,0,0]=4 1616 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [0,2,0,0,0,0|2,0,0]=4 1617 B9R0.43 CCC(COC(C)C)OC 34a_100011934954_100000210206 [0,2,0,0,0,0|1,1,0]=4 1618 B9R0.43 CCC(COC(C)C)OC 7a_100011934954_100000210206 [0,2,0,0,0,0|1,1,0]=4 1619 B9R0.43 CC[C@@H](CO)NCC(C)C 2230a_100000709445_100000210760 [0,2,0,0,0,0|2,0,0]=4 1620 B9R0.43 CC[C@@H](CO)NCC(C)C 270004a_100000709445_100000210432 [0,2,0,0,0,0|2,0,0]=4 1621 B9R0.43 COC(CNC(C)C)OC 2230a_100138425928_100000751394 [0,2,0,0,0,0|2,0,0]=4 1622 B9R0.43 COC(CNC(C)C)OC 34a_100138425928_100000211822 [0,2,0,0,0,0|2,0,0]=4 1623 B9R0.43 COC(COC(C)C)OC 34a_100000212225_100000211822 [0,2,0,0,0,0|1,1,0]=4 1624 B9R0.43 COC(COC(C)C)OC 34a_100011216393_100000210206 [0,2,0,0,0,0|1,1,0]=4 1625 B9R0.43 COC(CSC(C)C)OC 62a_100000210206_100000751394 [0,2,0,0,0,0|1,0,0]=3 1626 B9R0.43 COC(CSC(C)C)OC 62a_100000751394_100000210206 [0,2,0,0,0,0|1,0,0]=3 1627 B9R0.48 C#CCC(C)OCC(C)C 34a_100000685586_100000210624 [0,2,0,0,0,0|1,1,0]=4 1628 B9R0.48 C#CCC(C)OCC(C)C 7a_100000685586_100000210760 [0,2,0,0,0,0|1,1,0]=4 1629 B9R0.48 C/C=C/C(C)OCC(C)C 34a_200102604097_100000210624 [0,2,0,0,0,0|1,1,0]=4 1630 B9R0.48 C=CCC(C)COC(C)C 34a_100009832082_100000210206 [0,2,0,0,0,0|1,1,0]=4 1631 B9R0.48 C=CCC(C)COC(C)C 7a_100009832082_100000210206 [0,2,0,0,0,0|1,1,0]=4 1632 B9R0.48 C=CC[C@@H](C)OCC(C)C 34a_100000731007_100000210624 [0,2,0,0,0,0|1,1,0]=4 1633 B9R0.48 C=CC[C@@H](C)OCC(C)C 7a_100000731007_100000210760 [0,2,0,0,0,0|1,1,0]=4 1634 B9R0.48 CC#CC(C)OCC(C)C 34a_100011216543_100000210624 [0,2,0,0,0,0|1,1,0]=4 1635 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,2,0,0,0,0|2,0,0]=4 1636 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,2,0,0,0,0|2,0,0]=4 1637 B9R0.48 CC(C)CCC(C)SCF 62a_100011261404_100015361967 [0,2,0,0,0,0|2,0,0]=4 1638 B9R0.48 CC(C)CCC(C)SCF 62a_100015361967_100011261404 [0,2,0,0,0,0|2,0,0]=4 1639 B9R0.48 CC(C)CNC(C)CC#N 2230a_100000210953_100009813641 [0,2,0,0,0,0|2,0,0]=4 1640 B9R0.48 CC(C)CNC(C)CCO 2230a_100000210953_100009893172 [0,2,0,0,0,0|2,0,0]=4 1641 B9R0.48 CC(C)CNC(C)CCO 34a_100000210953_100009893172 [0,2,0,0,0,0|2,0,0]=4 1642 B9R0.48 CC(C)CN[C@@H](C)CC#N 2230a_100016994482_100000210760 [0,2,0,0,0,0|2,0,0]=4 1643 B9R0.48 CC(C)CN[C@H](C)CCO 2230a_100000706166_100000210760 [0,2,0,0,0,0|2,0,0]=4 1644 B9R0.48 CC(C)CN[C@H](C)CCO 270004a_100000706166_100000210432 [0,2,0,0,0,0|2,0,0]=4 1645 B9R0.48 CC(C)CN[C@H](C)CCO 34a_100000706166_100000210624 [0,2,0,0,0,0|2,0,0]=4 1646 B9R0.48 CC(C)COC(C)CCBr 34a_100012276601_100000210624 [0,2,0,0,0,0|1,1,0]=4 1647 B9R0.48 CC(C)COC(C)CCO 34a_100000210257_100009893172 [0,2,0,0,0,0|1,1,0]=4 1648 B9R0.48 CC(C)CSC(C)CC#N 62a_100000210624_100009813641 [0,2,0,0,0,0|1,0,0]=3 1649 B9R0.48 CC(C)CSC(C)CC#N 62a_100009813641_100000210760 [0,2,0,0,0,0|1,0,0]=3 1650 B9R0.48 CC(C)CSC(C)CCO 62a_100000210624_100009893172 [0,2,0,0,0,0|1,0,0]=3 1651 B9R0.48 CC(C)CSC(C)CCO 62a_100009893172_100000210760 [0,2,0,0,0,0|1,0,0]=3 1652 B9R0.48 CC(C)SC[C@@H](O)CC#N 62a_100000001066_100000210206 [0,2,0,0,0,0|2,0,0]=4 1653 B9R0.48 CC(C)SC[C@@H](O)CC#N 62a_100000210206_100000001066 [0,2,0,0,0,0|2,0,0]=4 1654 B9R0.48 CC(CC#N)SC[C@@H](C)O 62a_100009813641_100009817552 [0,2,0,0,0,0|2,0,0]=4 1655 B9R0.48 CC(CC#N)SC[C@@H](C)O 62a_100009817552_100009813641 [0,2,0,0,0,0|2,0,0]=4 1656 B9R0.48 CC(CCN)COC(C)C 34a_106354213184_100000210206 [0,2,0,0,0,0|1,1,0]=4 1657 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [0,2,0,0,0,0|2,0,0]=4 1658 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [0,2,0,0,0,0|2,0,0]=4 1659 B9R0.48 CC(O)CSC(C)CC#N 62a_100009813641_100011218427 [0,2,0,0,0,0|2,0,0]=4 1660 B9R0.48 CC(O)CSC(C)CC#N 62a_100011218427_100009813641 [0,2,0,0,0,0|2,0,0]=4 1661 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [0,2,0,0,0,0|2,0,0]=4 1662 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [0,2,0,0,0,0|2,0,0]=4 1663 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [0,2,0,0,0,0|2,0,0]=4 1664 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [0,2,0,0,0,0|2,0,0]=4 1665 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,2,0,0,0,0|1,1,0]=4 1666 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,2,0,0,0,0|1,1,0]=4 1667 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,2,0,0,0,0|1,1,0]=4 1668 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [0,2,0,0,0,0|1,0,0]=3 1669 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [0,2,0,0,0,0|1,0,0]=3 1670 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,2,0,0,0,0|2,0,0]=4 1671 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,2,0,0,0,0|2,0,0]=4 1672 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,2,0,0,0,0|2,0,0]=4 1673 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,2,0,0,0,0|2,0,0]=4 1674 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,2,0,0,0,0|2,0,0]=4 1675 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,2,0,0,0,0|1,1,0]=4 1676 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,2,0,0,0,0|1,1,0]=4 1677 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,2,0,0,0,0|1,1,0]=4 1678 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,2,0,0,0,0|1,0,0]=3 1679 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,2,0,0,0,0|1,0,0]=3 1680 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,2,0,0,0,0|2,0,0]=4 1681 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,2,0,0,0,0|2,0,0]=4 1682 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,2,0,0,0,0|2,0,0]=4 1683 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,2,0,0,0,0|2,0,0]=4 1684 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,2,0,0,0,0|2,0,0]=4 1685 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,2,0,0,0,0|2,0,0]=4 1686 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,2,0,0,0,0|2,0,0]=4 1687 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,2,0,0,0,0|2,0,0]=4 1688 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,2,0,0,0,0|2,0,0]=4 1689 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,2,0,0,0,0|2,0,0]=4 1690 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,2,0,0,0,0|2,0,0]=4 1691 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,2,0,0,0,0|2,0,0]=4 1692 B9R0.48 COCC(C)NCC(C)C 2230a_100000210953_100000765312 [0,2,0,0,0,0|2,0,0]=4 1693 B9R0.48 COCC(C)NCC(C)C 270004a_100000210953_100000749346 [0,2,0,0,0,0|2,0,0]=4 1694 B9R0.48 COCC(C)NCC(C)C 34a_100000210953_100000765312 [0,2,0,0,0,0|2,0,0]=4 1695 B9R0.48 COCC(C)OCC(C)C 34a_100000210257_100000765312 [0,2,0,0,0,0|1,1,0]=4 1696 B9R0.48 COCC(C)SCC(C)C 62a_100000210624_100000765312 [0,2,0,0,0,0|1,0,0]=3 1697 B9R0.48 COCC(C)SCC(C)C 62a_100000765312_100000210760 [0,2,0,0,0,0|1,0,0]=3 1698 B9R0.48 COCC(C)SCC(C)O 62a_100000765312_100011218427 [0,2,0,0,0,0|2,0,0]=4 1699 B9R0.48 COCC(C)SCC(C)O 62a_100011218427_100000765312 [0,2,0,0,0,0|2,0,0]=4 1700 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100000765312_100009817552 [0,2,0,0,0,0|2,0,0]=4 1701 B9R0.48 COCC(C)SC[C@@H](C)O 62a_100009817552_100000765312 [0,2,0,0,0,0|2,0,0]=4 1702 B9R0.48 COCC(O)CSC(C)C 62a_100000210206_100011215053 [0,2,0,0,0,0|2,0,0]=4 1703 B9R0.48 COCC(O)CSC(C)C 62a_100011215053_100000210206 [0,2,0,0,0,0|2,0,0]=4 1704 B9R0.48 COC[C@@H](C)NCC(C)C 2230a_100000764878_100000210760 [0,2,0,0,0,0|2,0,0]=4 1705 B9R0.48 COC[C@@H](C)NCC(C)C 270004a_100000764878_100000210432 [0,2,0,0,0,0|2,0,0]=4 1706 B9R0.48 COC[C@@H](C)OCC(C)C 34a_100011934205_100000210624 [0,2,0,0,0,0|1,1,0]=4 1707 B9R0.48 CSCC(C)NCC(C)C 270004a_100000210953_100011216314 [0,2,0,0,0,0|2,0,0]=4 1708 B9R0.64 C#CC(C)(C)NCC(C)C 270004a_100000054563_100000210432 [0,2,0,0,0,0|2,0,0]=4 1709 B9R0.64 C#CC(C)(C)NCC(C)C 34a_100000054563_100000210624 [0,2,0,0,0,0|2,0,0]=4 1710 B9R0.64 C#CC(C)(C)NCC(C)C 34a_100000210953_100000038118 [0,2,0,0,0,0|2,0,0]=4 1711 B9R0.64 C#CC(C)(C)OCC(C)C 34a_100000189450_100000210624 [0,2,0,0,0,0|1,1,0]=4 1712 B9R0.64 C#CC(C)(C)OCC(C)C 34a_100000210257_100000038118 [0,2,0,0,0,0|1,1,0]=4 1713 B9R0.64 C#CC(C)(C)OCC(C)C 7a_100000189450_100000210760 [0,2,0,0,0,0|1,1,0]=4 1714 B9R0.64 C#CC(C)(C)SCC(C)C 62a_100000038118_100000210760 [0,2,0,0,0,0|1,0,0]=3 1715 B9R0.64 C#CC(C)(C)SCC(C)C 62a_100000210624_100000038118 [0,2,0,0,0,0|1,0,0]=3 1716 B9R0.64 C#CC(C)(C)SCC(C)O 62a_100000038118_100011218427 [0,2,0,0,0,0|2,0,0]=4 1717 B9R0.64 C#CC(C)(C)SCC(C)O 62a_100011218427_100000038118 [0,2,0,0,0,0|2,0,0]=4 1718 B9R0.64 C#CC(C)(C)SC[C@@H](C)O 62a_100000038118_100009817552 [0,2,0,0,0,0|2,0,0]=4 1719 B9R0.64 C#CC(C)(C)SC[C@@H](C)O 62a_100009817552_100000038118 [0,2,0,0,0,0|2,0,0]=4 1720 B9R0.64 C=CC(C)(C)OCC(C)C 34a_100011215311_100000210624 [0,2,0,0,0,0|1,1,0]=4 1721 B9R0.64 C=CC(C)(C)OCC(C)C 7a_100011215311_100000210760 [0,2,0,0,0,0|1,1,0]=4 1722 B9R0.64 C=C[Si](C)(C)CSC(C)C 62a_100000038793_100000210206 [0,2,0,0,0,0|1,1,0]=4 1723 B9R0.64 C=C[Si](C)(C)CSC(C)C 62a_100000210206_100000038793 [0,2,0,0,0,0|1,1,0]=4 1724 B9R0.64 CC(C)CCC(C)(C)O[13CH3] 7a_200011218267_200025704644 [0,2,0,0,0,0|2,0,0]=4 1725 B9R0.64 CC(C)CCC(C)(C)S[13CH3] 62a_200000037585_200025704644 [0,2,0,0,0,0|2,0,0]=4 1726 B9R0.64 CC(C)CCC(C)(C)S[13CH3] 62a_200025704644_200000037585 [0,2,0,0,0,0|2,0,0]=4 1727 B9R0.64 CC(C)CNC(C)(C)C#N 34a_100000210953_100011162410 [0,2,0,0,0,0|2,0,0]=4 1728 B9R0.64 CC(C)CNC(C)(C)CO 2230a_100000210608_100000210760 [0,2,0,0,0,0|2,0,0]=4 1729 B9R0.64 CC(C)CNC(C)(C)CO 270004a_100000210608_100000210432 [0,2,0,0,0,0|2,0,0]=4 1730 B9R0.64 CC(C)COC(C)(C)C#N 34a_100000210257_100011162410 [0,2,0,0,0,0|1,1,0]=4 1731 B9R0.64 CC(C)COC(C)(C)C#N 34a_200015195151_100000210624 [0,2,0,0,0,0|1,1,0]=4 1732 B9R0.64 CC(C)COC(C)(C)CCl 7a_100000764493_100000210760 [0,2,0,0,0,0|1,1,0]=4 1733 B9R0.64 CC(C)CSC(C)(C)C#N 62a_100000210624_100011162410 [0,2,0,0,0,0|1,0,0]=3 1734 B9R0.64 CC(C)CSC(C)(C)C#N 62a_100011162410_100000210760 [0,2,0,0,0,0|1,0,0]=3 1735 B9R0.64 CC(C)CSC(F)(F)CO 62a_100000210624_100011217949 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.64 CC(C)CSC(F)(F)CO 62a_100011217949_100000210760 [0,2,0,0,0,0|2,0,0]=4 1737 B9R0.64 CC(C)NCC(C)(C)CO 2230a_100020635058_100000210206 [0,2,0,0,0,0|2,0,0]=4 1738 B9R0.64 CC(C)NCC(C)(C)CO 34a_100138425928_100009813988 [0,2,0,0,0,0|2,0,0]=4 1739 B9R0.64 CC(C)OCC(C)(C)CCl 7a_100011217199_100000210206 [0,2,0,0,0,0|1,1,0]=4 1740 B9R0.64 CC(C)OCC(C)(C)CO 34a_100000212225_100009813988 [0,2,0,0,0,0|1,1,0]=4 1741 B9R0.64 CC(C)SCC(C)(C)CO 62a_100000210206_100009813988 [0,2,0,0,0,0|1,0,0]=3 1742 B9R0.64 CC(C)SCC(C)(C)CO 62a_100009813988_100000210206 [0,2,0,0,0,0|1,0,0]=3 1743 B9R0.64 CC(O)CSC(C)(C)C#N 62a_100011162410_100011218427 [0,2,0,0,0,0|2,0,0]=4 1744 B9R0.64 CC(O)CSC(C)(C)C#N 62a_100011218427_100011162410 [0,2,0,0,0,0|2,0,0]=4 1745 B9R0.64 CCC(C)(C)COC(C)C 7a_100000765029_100000210206 [0,2,0,0,0,0|1,1,0]=4 1746 B9R0.64 CCC(C)(C)NCC(C)C 2230a_100000211385_100000210760 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.64 CCC(C)(C)NCC(C)C 270004a_100000211385_100000210432 [0,2,0,0,0,0|2,0,0]=4 1748 B9R0.64 CCC(C)(C)OCC(C)C 7a_100000210230_100000210760 [0,2,0,0,0,0|1,1,0]=4 1749 B9R0.64 CCC(C)(C)SCC(C)C 62a_100000032637_100000210760 [0,2,0,0,0,0|1,0,0]=3 1750 B9R0.64 CCC(C)(C)SCC(C)C 62a_100000210624_100000032637 [0,2,0,0,0,0|1,0,0]=3 1751 B9R0.64 CCC(C)(C)SCC(C)O 62a_100000032637_100011218427 [0,2,0,0,0,0|2,0,0]=4 1752 B9R0.64 CCC(C)(C)SCC(C)O 62a_100011218427_100000032637 [0,2,0,0,0,0|2,0,0]=4 1753 B9R0.64 CCC(C)(C)SC[C@@H](C)O 62a_100000032637_100009817552 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.64 CCC(C)(C)SC[C@@H](C)O 62a_100009817552_100000032637 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.64 CNC(C)(C)CCC(C)C 34a_100102657272_200000037585 [0,2,0,0,0,0|2,0,0]=4 1756 B9R0.64 COC(C)(C)CCC(C)C 34a_100138415774_200000037585 [0,2,0,0,0,0|2,0,0]=4 1757 B9R0.64 COC(C)(C)CCC(C)C 7a_200011218267_200000210301 [0,2,0,0,0,0|2,0,0]=4 1758 B9R0.64 COC(C)(C)CNC(C)C 2230a_100000763424_100000210206 [0,2,0,0,0,0|2,0,0]=4 1759 B9R0.64 COC(C)(C)CNC(C)C 34a_100138425928_100000701081 [0,2,0,0,0,0|2,0,0]=4 1760 B9R0.64 COC(C)(C)COC(C)C 34a_100000212225_100000701081 [0,2,0,0,0,0|1,1,0]=4 1761 B9R0.64 COC(C)(C)CSC(C)C 62a_100000210206_100000701081 [0,2,0,0,0,0|1,0,0]=3 1762 B9R0.64 COC(C)(C)CSC(C)C 62a_100000701081_100000210206 [0,2,0,0,0,0|1,0,0]=3 1763 B9R0.64 CSC(C)(C)CCC(C)C 62a_200000037585_200000210301 [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.64 CSC(C)(C)CCC(C)C 62a_200000210301_200000037585 [0,2,0,0,0,0|2,0,0]=4 1765 B9R0.64 C[C@@H](O)CSC(C)(C)C#N 62a_100009817552_100011162410 [0,2,0,0,0,0|2,0,0]=4 1766 B9R0.64 C[C@@H](O)CSC(C)(C)C#N 62a_100011162410_100009817552 [0,2,0,0,0,0|2,0,0]=4 1767 B9R0.10 CC(C)CC(=O)C(C)(C)C 1458a_106744555173_100000210624 [0,2,0,0,0,0|2,0,0]=4 1768 B9R0.10 CC(C)CC(=O)C(C)(C)F 1458a_100000765255_100000210624 [0,2,0,0,0,0|2,0,0]=4 1769 B9R0.10 CC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000210624 [0,2,0,0,0,0|2,0,0]=4 1770 B9R0.10 CC(C)CN(C)C(C)(C)C 2230a_100015183297_200000210301 [0,2,0,0,0,0|2,0,0]=4 1771 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100000747067_100000210625 [0,2,0,0,0,0|2,0,0]=4 1772 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100011215553_100000210624 [0,2,0,0,0,0|2,0,0]=4 1773 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100015183297_200000210301 [0,2,0,0,0,0|2,0,0]=4 1774 B9R0.10 CC(C)CN(C)C(C)(C)C 270004a_100011215553_100000210432 [0,2,0,0,0,0|2,0,0]=4 1775 B9R0.10 CC(C)CN([13CH3])C(C)(C)C 2230a_100015183297_200025704644 [0,2,0,0,0,0|2,0,0]=4 1776 B9R0.10 CC(C)CN([13CH3])C(C)(C)C 269982a_100015183297_200025704644 [0,2,0,0,0,0|2,0,0]=4 1777 B9R0.10 CC(C)NC(=O)C(C)(C)C 11a_100138425928_106744555173 [0,2,0,0,0,0|2,0,0]=4 1778 B9R0.10 CC(C)NC(=O)C(C)(C)C 1626a_100138425928_106744555173 [0,2,0,0,0,0|2,0,0]=4 1779 B9R0.10 CC(C)NC(=O)C(C)(C)C 240690a_100138425928_106744555173 [0,2,0,0,0,0|2,0,0]=4 1780 B9R0.10 CC(C)NC(=O)C(C)(C)C 527a_100138425928_106744555173 [0,2,0,0,0,0|2,0,0]=4 1781 B9R0.10 CC(C)NC(=O)C(C)(C)F 11a_100138425928_100000765255 [0,2,0,0,0,0|2,0,0]=4 1782 B9R0.10 CC(C)NC(=O)C(C)(C)F 1626a_100138425928_100000765255 [0,2,0,0,0,0|2,0,0]=4 1783 B9R0.10 CC(C)NC(=O)C(C)(C)F 240690a_100138425928_100000765255 [0,2,0,0,0,0|2,0,0]=4 1784 B9R0.10 CC(C)NC(=O)C(C)(C)F 527a_100138425928_100000765255 [0,2,0,0,0,0|2,0,0]=4 1785 B9R0.10 CC(C)NC(=O)C(C)(C)O 240690a_100138425928_100000242741 [0,2,0,0,0,0|2,0,0]=4 1786 B9R0.10 CC(C)N[C@@H](C)C(C)(C)O 2230a_100025708725_100000210206 [0,2,0,0,0,0|2,0,0]=4 1787 B9R0.10 CC(C)N[C@H](C)C(C)(C)C 2230a_100025703359_100000210206 [0,2,0,0,0,0|2,0,0]=4 1788 B9R0.11 CC(C)NC(C)(C)C(C)C 2230a_200160471154_100000210206 [0,2,0,0,0,0|2,0,0]=4 1789 B9R0.11 CC(C)NS(=O)(=O)C(C)C 270084a_100138425928_100000742656 [0,2,0,0,0,0|1,0,1]=4 1790 B9R0.11 CC(C)NS(=O)(=O)C(C)C 274078a_100138425928_100000742656 [0,2,0,0,0,0|1,0,1]=4 1791 B9R0.11 CC(C)OC(C)(C)C(C)C 7a_100011215261_100000210206 [0,2,0,0,0,0|1,1,0]=4 1792 B9R0.11 CC(C)SC(C)(C)N(C)C 62a_100000210206_217856628674 [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.11 CC(C)SC(C)(C)N(C)C 62a_217856628674_100000210206 [0,2,0,0,0,0|2,0,0]=4 1794 B9R0.39 C#CC(OC(C)C)C(C)C 34a_100011217124_100000210206 [0,2,0,0,0,0|1,1,0]=4 1795 B9R0.39 C#CC(OC(C)C)C(C)C 7a_100011217124_100000210206 [0,2,0,0,0,0|1,1,0]=4 1796 B9R0.39 C=CC(OC(C)C)C(C)C 34a_100000732651_100000210206 [0,2,0,0,0,0|1,1,0]=4 1797 B9R0.39 C=CC(OC(C)C)C(C)C 7a_100000732651_100000210206 [0,2,0,0,0,0|1,1,0]=4 1798 B9R0.39 CC(C)CC(O[13CH3])C(C)C 34a_200011219802_200025704644 [0,2,0,0,0,0|2,0,0]=4 1799 B9R0.39 CC(C)CC(O[13CH3])C(C)C 7a_200011219802_200025704644 [0,2,0,0,0,0|2,0,0]=4 1800 B9R0.39 CC(C)CN(CF)C(C)C 269982a_100000737641_100015361967 [0,2,0,0,0,0|2,0,0]=4 1801 B9R0.39 CC(C)N[C@@H](CO)C(C)C 2230a_100011830312_100000210206 [0,2,0,0,0,0|2,0,0]=4 1802 B9R0.39 CC(C)N[C@@H](CO)C(C)C 34a_100011830312_100000210206 [0,2,0,0,0,0|2,0,0]=4 1803 B9R0.39 CC(C)OC(C#N)C(C)C 34a_100000748901_100000210206 [0,2,0,0,0,0|1,1,0]=4 1804 B9R0.39 CC(C)OC(C#N)C(C)C 7a_100000748901_100000210206 [0,2,0,0,0,0|1,1,0]=4 1805 B9R0.39 CC(C)OC(CN)C(C)C 34a_100000759067_100000210206 [0,2,0,0,0,0|1,1,0]=4 1806 B9R0.39 CCC(OC(C)C)C(C)C 34a_100011218073_100000210206 [0,2,0,0,0,0|1,1,0]=4 1807 B9R0.39 CCC(OC(C)C)C(C)C 7a_100011218073_100000210206 [0,2,0,0,0,0|1,1,0]=4 1808 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000223864_100000210760 [0,2,0,0,0,0|2,0,0]=4 1809 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000737641_100000210202 [0,2,0,0,0,0|2,0,0]=4 1810 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000738554_100000210206 [0,2,0,0,0,0|2,0,0]=4 1811 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000223864_100000210624 [0,2,0,0,0,0|2,0,0]=4 1812 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000737641_100000204670 [0,2,0,0,0,0|2,0,0]=4 1813 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000738554_100000210206 [0,2,0,0,0,0|2,0,0]=4 1814 B9R0.39 CCN(CC(C)C)C(C)C 270004a_100000223864_100000210432 [0,2,0,0,0,0|2,0,0]=4 1815 B9R0.39 COC(CC(C)C)C(C)C 34a_200011219802_200000210301 [0,2,0,0,0,0|2,0,0]=4 1816 B9R0.39 COC(CC(C)C)C(C)C 7a_200011219802_200000210301 [0,2,0,0,0,0|2,0,0]=4 1817 B9R0.57 CC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000210206 [0,2,0,0,0,0|2,0,0]=4 1818 B9R0.57 CC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000210206 [0,2,0,0,0,0|2,0,0]=4 1819 B9R0.57 CC(C)C(=O)NC(C)(C)C 11a_100000715429_100000210198 [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.57 CC(C)C(=O)NC(C)(C)C 1626a_100000715429_100000210198 [0,2,0,0,0,0|2,0,0]=4 1821 B9R0.57 CC(C)C(=O)NC(C)(C)C 240690a_100000715429_100000210198 [0,2,0,0,0,0|2,0,0]=4 1822 B9R0.57 CC(C)C(=O)NC(C)(C)C 527a_100000715429_100000210198 [0,2,0,0,0,0|2,0,0]=4 1823 B9R0.57 CC(C)N(C)CC(C)(C)C 2230a_100000742839_100000210206 [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.57 CC(C)N(C)CC(C)(C)C 2230a_107254826865_200000210301 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.57 CC(C)N(C)CC(C)(C)C 269982a_100000742839_100000210206 [0,2,0,0,0,0|2,0,0]=4 1826 B9R0.57 CC(C)N(C)CC(C)(C)C 269982a_107254826865_200000210301 [0,2,0,0,0,0|2,0,0]=4 1827 B9R0.57 CC(C)N(C)CC(C)(C)C 270004a_200000211004_100011204126 [0,2,0,0,0,0|2,0,0]=4 1828 B9R0.57 CC(C)N(C)CC(C)(C)O 2230a_100000755907_100000210206 [0,2,0,0,0,0|2,0,0]=4 1829 B9R0.57 CC(C)N(C)CC(C)(C)O 269982a_100000755907_100000210206 [0,2,0,0,0,0|2,0,0]=4 1830 B9R0.57 CC(C)N([13CH3])CC(C)(C)C 2230a_107254826865_200025704644 [0,2,0,0,0,0|2,0,0]=4 1831 B9R0.57 CC(C)N([13CH3])CC(C)(C)C 269982a_107254826865_200025704644 [0,2,0,0,0,0|2,0,0]=4 1832 B9R0.79 CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000210206 [0,2,0,0,0,0|2,0,0]=4 1833 B9R0.79 CC(C)C(=O)N(C)C(C)C 11a_200000211004_100000210198 [0,2,0,0,0,0|2,0,0]=4 1834 B9R0.79 CC(C)C(=O)N(C)C(C)C 1626a_200000211004_100000210198 [0,2,0,0,0,0|2,0,0]=4 1835 B9R0.79 CC(C)C(=O)N(C)C(C)C 240690a_200000211004_100000210198 [0,2,0,0,0,0|2,0,0]=4 1836 B9R0.79 CC(C)C(=O)N(C)C(C)C 527a_200000211004_100000210198 [0,2,0,0,0,0|2,0,0]=4 1837 B9R0.79 CC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000210206 [0,2,0,0,0,0|2,0,0]=4 1838 B9R0.79 CC(C)C(C)N(C)C(C)C 2230a_100000228512_100000210206 [0,2,0,0,0,0|2,0,0]=4 1839 B9R0.79 CC(C)C(C)N(C)C(C)C 269982a_100000228512_100000210206 [0,2,0,0,0,0|2,0,0]=4 1840 B9R0.77 CC(C)(C)COC(C)(C)C 34a_100015890283_100011219605 [0,2,0,0,0,0|1,1,0]=4 1841 B9R0.77 CC(C)(C)CSC(C)(C)C 62a_100000211941_100011219605 [0,2,0,0,0,0|1,0,0]=3 1842 B9R0.77 CC(C)(C)CSC(C)(C)C 62a_100011219605_100000211941 [0,2,0,0,0,0|1,0,0]=3 1843 B9R0.77 CC(C)(C)SC[N+](C)(C)C 62a_100000211941_200000036245 [0,2,0,0,0,0|2,0,0]=4 1844 B9R0.77 CC(C)(C)SC[N+](C)(C)C 62a_200000036245_100000211941 [0,2,0,0,0,0|2,0,0]=4 1845 B9R0.77 CC(C)(C)SC[Si](C)(C)C 62a_100000037933_100000211941 [0,2,0,0,0,0|1,1,0]=4 1846 B9R0.77 CC(C)(C)SC[Si](C)(C)C 62a_100000211941_100000037933 [0,2,0,0,0,0|1,1,0]=4 1847 B9R0.77 CC(C)(F)COC(C)(C)C 34a_100000716592_100000210625 [0,2,0,0,0,0|1,1,0]=4 1848 B9R0.77 CC(C)(F)COC(C)(C)C 34a_100015890283_100011997219 [0,2,0,0,0,0|1,1,0]=4 1849 B9R0.77 CC(C)(F)CSC(C)(C)C 62a_100000211941_100011997219 [0,2,0,0,0,0|1,0,0]=3 1850 B9R0.77 CC(C)(F)CSC(C)(C)C 62a_100011997219_100000211941 [0,2,0,0,0,0|1,0,0]=3 1851 B9R0.77 CC(C)(O)COC(C)(C)C 34a_100015890283_100000764493 [0,2,0,0,0,0|1,1,0]=4 1852 B9R0.77 CC(C)(O)COC(C)(C)C 7a_100015890283_100000764493 [0,2,0,0,0,0|1,1,0]=4 1853 B9R0.77 CC(C)(O)CSC(C)(C)C 62a_100000211941_100000764493 [0,2,0,0,0,0|1,0,0]=3 1854 B9R0.77 CC(C)(O)CSC(C)(C)C 62a_100000764493_100000211941 [0,2,0,0,0,0|1,0,0]=3 1855 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [1,0,0,1,0,0|2,0,0]=4 1856 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [1,0,0,1,0,0|1,1,0]=4 1857 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [1,0,0,1,0,0|1,0,0]=3 1858 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [1,0,0,1,0,0|2,0,0]=4 1859 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [1,0,0,1,0,0|2,0,0]=4 1860 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [1,0,0,1,0,0|2,0,0]=4 1861 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [1,0,0,1,0,0|2,0,0]=4 1862 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|1,1,0]=4 1863 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|1,1,0]=4 1864 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [1,0,0,1,0,0|1,0,0]=3 1865 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [1,0,0,1,0,0|1,0,0]=3 1866 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [1,0,0,1,0,0|2,0,0]=4 1867 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [1,0,0,1,0,0|2,0,0]=4 1868 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [1,0,0,1,0,0|2,0,0]=4 1869 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [1,0,0,1,0,0|2,0,0]=4 1870 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [1,0,0,1,0,0|2,0,0]=4 1871 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [1,0,0,1,0,0|2,0,0]=4 1872 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [1,0,0,1,0,0|2,0,0]=4 1873 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [1,0,0,1,0,0|2,0,0]=4 1874 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [1,0,0,1,0,0|2,0,0]=4 1875 B7R1.7 FCSCC1CC1 62a_100000756562_100015361967 [1,0,0,1,0,0|2,0,0]=4 1876 B7R1.7 FCSCC1CC1 62a_100015361967_100000742324 [1,0,0,1,0,0|2,0,0]=4 1877 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [1,0,0,1,0,0|2,0,0]=4 1878 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [1,0,0,1,0,0|2,0,0]=4 1879 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [1,0,0,1,0,0|2,0,0]=4 1880 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [1,0,0,1,0,0|2,0,0]=4 1881 B7R1.18 CC(C)N1CCC1 269982a_100000754969_100000210206 [1,0,0,1,0,0|2,0,0]=4 1882 B7R1.20 CC(C)NC1CC1 34a_100000212008_100000210206 [1,0,0,1,0,0|2,0,0]=4 1883 B7R1.20 CC(C)NC1CC1 34a_100138425928_100000211595 [1,0,0,1,0,0|2,0,0]=4 1884 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [1,0,0,1,0,0|1,1,0]=4 1885 B7R1.20 CC(C)SC1CC1 62a_100000210206_100000211595 [1,0,0,1,0,0|1,0,0]=3 1886 B7R1.16 CC1(CN(C1)[13CH3])C 2230a_100000753659_200025704644 [0,0,0,1,1,0|2,0,0]=4 1887 B7R1.16 CC1(CN(C1)[13CH3])C 269982a_100000753659_200025704644 [0,0,0,1,1,0|2,0,0]=4 1888 B7R1.16 CN1CC(C1)(C)C 2230a_100000753659_200000210301 [0,0,0,1,1,0|2,0,0]=4 1889 B7R1.16 CN1CC(C1)(C)C 269982a_100000753659_200000210301 [0,0,0,1,1,0|2,0,0]=4 1890 B9R1.35 CC(C)N1CC[C@H](C1)C 2230a_100016987628_100000210206 [0,0,0,1,0,1|2,0,0]=4 1891 B9R1.35 CC(C)N1CC[C@H](C1)C 269982a_100016987628_100000210206 [0,0,0,1,0,1|2,0,0]=4 1892 B9R1.35 CC(C)N1CC[C@H](C1)C 34a_100016987628_100000210206 [0,0,0,1,0,1|2,0,0]=4 1893 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [0,0,0,1,0,1|1,1,0]=4 1894 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [0,0,0,1,0,1|1,1,0]=4 1895 B9R1.53 CC(C)CN1CC(C1)C 2230a_100000702820_100000210760 [0,0,0,1,0,1|2,0,0]=4 1896 B9R1.53 CC(C)CN1CC(C1)C 269982a_100000702820_100000210624 [0,0,0,1,0,1|2,0,0]=4 1897 B9R1.53 CC(C)CN1CC(C1)C 270004a_100000702820_100000210432 [0,0,0,1,0,1|2,0,0]=4 1898 B9R1.53 CC(C)CN1CC(C1)C 34a_100000702820_100000210624 [0,0,0,1,0,1|2,0,0]=4 1899 B9R1.85 CC(=CCSC1CC1)C 62a_100000761012_100000211595 [0,0,0,1,0,1|1,0,1]=4 1900 B9R1.85 CC(C)C=NNC1CC1 4a_100000701032_100000210432 [0,0,0,1,0,1|2,0,0]=4 1901 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [0,0,0,1,0,1|2,0,0]=4 1902 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [0,0,0,1,0,1|1,1,0]=4 1903 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [0,0,0,1,0,1|1,0,0]=3 1904 B9R1.85 CC(C)CNCC1CC1 2230a_100000210953_100000742324 [0,0,0,1,0,1|2,0,0]=4 1905 B9R1.85 CC(C)CNCC1CC1 2230a_100000735609_100000210760 [0,0,0,1,0,1|2,0,0]=4 1906 B9R1.85 CC(C)CNCC1CC1 269862a_100000210953_100000741477 [0,0,0,1,0,1|2,0,0]=4 1907 B9R1.85 CC(C)CNCC1CC1 270004a_100000735609_100000210432 [0,0,0,1,0,1|2,0,0]=4 1908 B9R1.85 CC(C)CNCC1CC1 34a_100000210953_100000742324 [0,0,0,1,0,1|2,0,0]=4 1909 B9R1.85 CC(C)CNCC1CC1 34a_100000735609_100000210624 [0,0,0,1,0,1|2,0,0]=4 1910 B9R1.85 CC(C)COCC1CC1 34a_100000210257_100000742324 [0,0,0,1,0,1|1,1,0]=4 1911 B9R1.85 CC(C)COCC1CC1 34a_100000211283_100000210624 [0,0,0,1,0,1|1,1,0]=4 1912 B9R1.85 CC(C)CSCC1CC1 62a_100000210624_100000742324 [0,0,0,1,0,1|1,0,0]=3 1913 B9R1.85 CC(C)CSCC1CC1 62a_100000756562_100000210760 [0,0,0,1,0,1|1,0,0]=3 1914 B9R1.85 CC(C)CSCC1CO1 62a_100000210624_102125554688 [0,0,0,1,0,1|2,0,0]=4 1915 B9R1.85 CC(C)CSCC1CO1 62a_102125554688_100000210760 [0,0,0,1,0,1|2,0,0]=4 1916 B9R1.85 CC(C)CSCC1CS1 62a_100000031435_100000210760 [0,0,0,1,0,1|2,0,0]=4 1917 B9R1.85 CC(C)CSCC1CS1 62a_100000210624_100000031435 [0,0,0,1,0,1|2,0,0]=4 1918 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000210624_100000745022 [0,0,0,1,0,1|2,0,0]=4 1919 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000745022_100000210760 [0,0,0,1,0,1|2,0,0]=4 1920 B9R1.85 CC(C)NCCC1CC1 2230a_100138425928_100000694398 [0,0,0,1,0,1|2,0,0]=4 1921 B9R1.85 CC(C)NCCC1CC1 34a_100000764129_100000210206 [0,0,0,1,0,1|2,0,0]=4 1922 B9R1.85 CC(C)NCCC1CC1 34a_100138425928_100000694398 [0,0,0,1,0,1|2,0,0]=4 1923 B9R1.85 CC(C)NN=CC1CC1 4a_100000741168_100000741477 [0,0,0,1,0,1|2,0,0]=4 1924 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [0,0,0,1,0,1|1,1,0]=4 1925 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [0,0,0,1,0,1|1,1,0]=4 1926 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [0,0,0,1,0,1|1,1,0]=4 1927 B9R1.85 CC(C)OCNC1CC1 34a_100000212008_100000709892 [0,0,0,1,0,1|1,1,0]=4 1928 B9R1.85 CC(C)OCSC1CC1 62a_100000709892_100000211595 [0,0,0,1,0,1|0,1,0]=3 1929 B9R1.85 CC(C)SCCC1CC1 62a_100000210206_100000764125 [0,0,0,1,0,1|1,0,0]=3 1930 B9R1.85 CC(C)SCCC1CC1 62a_100000764125_100000210206 [0,0,0,1,0,1|1,0,0]=3 1931 B9R1.85 CC(C)SCCC1CO1 62a_100000210206_100000732470 [0,0,0,1,0,1|2,0,0]=4 1932 B9R1.85 CC(C)SCCC1CO1 62a_100000732470_100000210206 [0,0,0,1,0,1|2,0,0]=4 1933 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [0,0,0,1,0,1|2,0,0]=4 1934 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [0,0,0,1,0,1|2,0,0]=4 1935 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [0,0,0,1,0,1|2,0,0]=4 1936 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [0,0,0,1,0,1|2,0,0]=4 1937 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [0,0,0,1,0,1|2,0,0]=4 1938 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,1,0,1,0,0|2,0,0]=4 1939 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,1,0,1,0,0|2,0,0]=4 1940 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [0,1,0,1,0,0|2,0,0]=4 1941 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [0,1,0,1,0,0|2,0,0]=4 1942 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [0,1,0,1,0,0|2,0,0]=4 1943 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [0,1,0,1,0,0|2,0,0]=4 1944 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [0,1,0,1,0,0|2,0,0]=4 1945 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,1,0,1,0,0|2,0,0]=4 1946 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,1,0,1,0,0|2,0,0]=4 1947 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,1,0,1,0,0|2,0,0]=4 1948 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [0,1,0,1,0,0|2,0,0]=4 1949 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [0,1,0,1,0,0|2,0,0]=4 1950 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [0,1,0,1,0,0|2,0,0]=4 1951 B9R1.67 CC(C)CN1CCC1C 269982a_100000755817_100000210624 [0,1,0,1,0,0|2,0,0]=4 1952 B9R1.67 CC(C)CN1CCC1C 34a_100000755817_100000210624 [0,1,0,1,0,0|2,0,0]=4 1953 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 2230a_100016991869_200000210301 [0,1,0,1,0,0|1,1,0]=4 1954 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 269982a_100016991869_200000210301 [0,1,0,1,0,0|1,1,0]=4 1955 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 34a_100016991869_200000210301 [0,1,0,1,0,0|1,1,0]=4 1956 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 2230a_100016991869_200025704644 [0,1,0,1,0,0|1,1,0]=4 1957 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 269982a_100016991869_200025704644 [0,1,0,1,0,0|1,1,0]=4 1958 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 34a_100016991869_200025704644 [0,1,0,1,0,0|1,1,0]=4 1959 B9R1.80 C#CC(C)SCC1CC1 62a_200000035995_100000742324 [0,1,0,1,0,0|1,0,1]=4 1960 B9R1.80 C=CC(C)SCC1CC1 62a_100011215867_100000742324 [0,1,0,1,0,0|1,0,1]=4 1961 B9R1.80 CC(C#N)SCC1CC1 62a_100000703298_100000742324 [0,1,0,1,0,0|1,0,1]=4 1962 B9R1.80 CC(C#N)SCC1CC1 62a_100000756562_100000703298 [0,1,0,1,0,0|1,0,1]=4 1963 B9R1.80 CC(CF)OCC1CC1 34a_100016041109_100000742324 [0,1,0,1,0,0|1,1,0]=4 1964 B9R1.80 CC(CF)OCC1CC1 7a_100016041109_100000742324 [0,1,0,1,0,0|1,1,0]=4 1965 B9R1.80 CC(CN)COC1CC1 34a_100000744482_100000211595 [0,1,0,1,0,0|1,1,0]=4 1966 B9R1.80 CC(CN)OCC1CC1 34a_100000210904_100000742324 [0,1,0,1,0,0|1,1,0]=4 1967 B9R1.80 CC(CO)CNC1CC1 34a_100000744482_100000211595 [0,1,0,1,0,0|2,0,0]=4 1968 B9R1.80 CC(CO)NCC1CC1 2230a_100000735609_100012180447 [0,1,0,1,0,0|2,0,0]=4 1969 B9R1.80 CC(CO)NCC1CC1 34a_100000735609_100012180447 [0,1,0,1,0,0|2,0,0]=4 1970 B9R1.80 CC(CO)OCC1CC1 34a_100000211283_100012180447 [0,1,0,1,0,0|1,1,0]=4 1971 B9R1.80 CC(CO)SCC1CC1 62a_100012180447_100000742324 [0,1,0,1,0,0|1,0,0]=3 1972 B9R1.80 CC(CO)SCC1CO1 62a_100012180447_102125554688 [0,1,0,1,0,0|2,0,0]=4 1973 B9R1.80 CC(CO)SCC1CS1 62a_100012180447_100000031435 [0,1,0,1,0,0|2,0,0]=4 1974 B9R1.80 CC(CO)SC[C@@H]1CO1 62a_100012180447_100000745022 [0,1,0,1,0,0|2,0,0]=4 1975 B9R1.80 CCC(C)CNC1CC1 34a_100000212008_100000748023 [0,1,0,1,0,0|2,0,0]=4 1976 B9R1.80 CCC(C)CSC1CC1 62a_100000748023_100000211595 [0,1,0,1,0,0|1,0,0]=3 1977 B9R1.80 CCC(C)NCC1CC1 2230a_100000209981_100000742324 [0,1,0,1,0,0|2,0,0]=4 1978 B9R1.80 CCC(C)NCC1CC1 2230a_100000735609_100000758301 [0,1,0,1,0,0|2,0,0]=4 1979 B9R1.80 CCC(C)NCC1CC1 269862a_100000209981_100000741477 [0,1,0,1,0,0|2,0,0]=4 1980 B9R1.80 CCC(C)NCC1CC1 34a_100000735609_100011215416 [0,1,0,1,0,0|2,0,0]=4 1981 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [0,1,0,1,0,0|1,1,0]=4 1982 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [0,1,0,1,0,0|1,1,0]=4 1983 B9R1.80 CCC(C)SCC1CC1 62a_100000756562_100000758301 [0,1,0,1,0,0|1,0,0]=3 1984 B9R1.80 CCC(C)SCC1CC1 62a_100000758301_100000742324 [0,1,0,1,0,0|1,0,0]=3 1985 B9R1.80 CCC(C)SCC1CO1 62a_100000758301_102125554688 [0,1,0,1,0,0|2,0,0]=4 1986 B9R1.80 CCC(C)SCC1CO1 62a_102125554688_100000758301 [0,1,0,1,0,0|2,0,0]=4 1987 B9R1.80 CCC(C)SCC1CS1 62a_100000031435_100000758301 [0,1,0,1,0,0|2,0,0]=4 1988 B9R1.80 CCC(C)SCC1CS1 62a_100000758301_100000031435 [0,1,0,1,0,0|2,0,0]=4 1989 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000745022_100000758301 [0,1,0,1,0,0|2,0,0]=4 1990 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000758301_100000745022 [0,1,0,1,0,0|2,0,0]=4 1991 B9R1.80 CCC(O)CSC1CC1 62a_100011218378_100000211595 [0,1,0,1,0,0|2,0,0]=4 1992 B9R1.80 CC[C@H](C)CNC1CC1 34a_100000212008_100009816398 [0,1,0,1,0,0|2,0,0]=4 1993 B9R1.80 CC[C@H](C)CSC1CC1 62a_100009816398_100000211595 [0,1,0,1,0,0|1,0,0]=3 1994 B9R1.80 COC(C)COC1CC1 34a_100000690652_100000211595 [0,1,0,1,0,0|1,1,0]=4 1995 B9R1.80 COC(C)SCC1CC1 62a_100000756562_100009879195 [0,1,0,1,0,0|1,0,0]=3 1996 B9R1.80 COC(C)SCC1CC1 62a_100009879195_100000742324 [0,1,0,1,0,0|1,0,0]=3 1997 B9R1.80 COC(C)SCC1CO1 62a_100009879195_102125554688 [0,1,0,1,0,0|2,0,0]=4 1998 B9R1.80 COC(C)SCC1CO1 62a_102125554688_100009879195 [0,1,0,1,0,0|2,0,0]=4 1999 B9R1.80 COC(C)SCC1CS1 62a_100000031435_100009879195 [0,1,0,1,0,0|2,0,0]=4 2000 B9R1.80 COC(C)SCC1CS1 62a_100009879195_100000031435 [0,1,0,1,0,0|2,0,0]=4 2001 B9R1.80 COC(C)SC[C@@H]1CO1 62a_100000745022_100009879195 [0,1,0,1,0,0|2,0,0]=4 2002 B9R1.80 COC(C)SC[C@@H]1CO1 62a_100009879195_100000745022 [0,1,0,1,0,0|2,0,0]=4 2003 B9R1.80 C[C@@H](CO)CNC1CC1 34a_100000212008_100000059175 [0,1,0,1,0,0|2,0,0]=4 2004 B9R1.80 C[C@@H](CO)CSC1CC1 62a_100000059175_100000211595 [0,1,0,1,0,0|1,0,0]=3 2005 B9R1.80 C[C@H](CF)NCC1CC1 269862a_100102880703_100000741477 [0,1,0,1,0,0|2,0,0]=4 2006 B9R1.80 C[C@H](CO)NCC1CC1 2230a_100000737577_100000742324 [0,1,0,1,0,0|2,0,0]=4 2007 B9R1.80 C[C@H](CO)NCC1CC1 269862a_100000737577_100000741477 [0,1,0,1,0,0|2,0,0]=4 2008 B9R1.80 C[C@H](CO)SCC1CC1 62a_100000756562_100016084084 [0,1,0,1,0,0|1,0,0]=3 2009 B9R1.80 C[C@H](CO)SCC1CC1 62a_100016084084_100000742324 [0,1,0,1,0,0|1,0,0]=3 2010 B9R1.80 C[C@H](CO)SCC1CO1 62a_100016084084_102125554688 [0,1,0,1,0,0|2,0,0]=4 2011 B9R1.80 C[C@H](CO)SCC1CO1 62a_102125554688_100016084084 [0,1,0,1,0,0|2,0,0]=4 2012 B9R1.80 C[C@H](CO)SCC1CS1 62a_100000031435_100016084084 [0,1,0,1,0,0|2,0,0]=4 2013 B9R1.80 C[C@H](CO)SCC1CS1 62a_100016084084_100000031435 [0,1,0,1,0,0|2,0,0]=4 2014 B9R1.80 C[C@H](CO)SC[C@@H]1CO1 62a_100000745022_100016084084 [0,1,0,1,0,0|2,0,0]=4 2015 B9R1.80 C[C@H](CO)SC[C@@H]1CO1 62a_100016084084_100000745022 [0,1,0,1,0,0|2,0,0]=4 2016 B9R1.80 OCC(O)CSC1CC1 62a_100011219619_100000211595 [0,1,0,1,0,0|2,0,0]=4 2017 B9R1.80 OC[C@H](O)CSC1CC1 62a_100009815848_100000211595 [0,1,0,1,0,0|2,0,0]=4 2018 B9R1.80 O[C@@H](CF)CSC1CC1 62a_100015614560_100000211595 [0,1,0,1,0,0|2,0,0]=4 2019 B9R1.82 CC1CN(C1)C(C)CO 2230a_100000702820_100012180447 [0,1,0,1,0,0|2,0,0]=4 2020 B9R1.82 CC1CN(C1)C(C)CO 34a_100000702820_100012180447 [0,1,0,1,0,0|2,0,0]=4 2021 B9R1.82 CC1CN(C1)[C@H](C)CO 269982a_100000702820_100016084084 [0,1,0,1,0,0|2,0,0]=4 2022 B9R1.82 CCC(C)N1CC(C1)C 2230a_100000702820_100000758301 [0,1,0,1,0,0|2,0,0]=4 2023 B9R1.82 CCC(C)N1CC(C1)C 269982a_100000702820_100000758301 [0,1,0,1,0,0|2,0,0]=4 2024 B9R1.82 CCC(C)N1CC(C1)C 34a_100000702820_100011215416 [0,1,0,1,0,0|2,0,0]=4 2025 B9R1.82 COC(C)N1CC(C1)C 269982a_100000702820_100009879195 [0,1,0,1,0,0|2,0,0]=4 2026 B9R1.84 CC(C)CNC1CCC1 2230a_100000749019_100000210760 [0,1,0,1,0,0|2,0,0]=4 2027 B9R1.84 CC(C)CNC1CCC1 270004a_100000210953_100000241760 [0,1,0,1,0,0|2,0,0]=4 2028 B9R1.84 CC(C)CNC1CCC1 34a_100000210953_100000749161 [0,1,0,1,0,0|2,0,0]=4 2029 B9R1.84 CC(C)CNC1CCC1 34a_100000749019_100000210624 [0,1,0,1,0,0|2,0,0]=4 2030 B9R1.84 CC(C)CNC1COC1 2230a_100016991112_100000210760 [0,1,0,1,0,0|2,0,0]=4 2031 B9R1.84 CC(C)CNC1COC1 270004a_100016991112_100000210432 [0,1,0,1,0,0|2,0,0]=4 2032 B9R1.84 CC(C)CNC1COC1 34a_100000210953_100009818527 [0,1,0,1,0,0|2,0,0]=4 2033 B9R1.84 CC(C)CNC1CSC1 270004a_100016994217_100000210432 [0,1,0,1,0,0|2,0,0]=4 2034 B9R1.84 CC(C)COC1CCC1 34a_100000210257_100000749161 [0,1,0,1,0,0|1,1,0]=4 2035 B9R1.84 CC(C)COC1CCC1 34a_100000748187_100000210624 [0,1,0,1,0,0|1,1,0]=4 2036 B9R1.84 CC(C)COC1COC1 34a_100000210257_100009818527 [0,1,0,1,0,0|1,1,0]=4 2037 B9R1.84 CC(C)COC1CSC1 7a_100000072292_100000210760 [0,1,0,1,0,0|1,1,0]=4 2038 B9R1.84 CC(C)CSC1CCC1 62a_100000210624_100000749161 [0,1,0,1,0,0|1,0,0]=3 2039 B9R1.84 CC(C)CSC1COC1 62a_100000210624_100009818527 [0,1,0,1,0,0|1,0,0]=3 2040 B9R1.84 CC(C)NCC1CCC1 2230a_100000738700_100000210206 [0,1,0,1,0,0|2,0,0]=4 2041 B9R1.84 CC(C)NCC1CCC1 2230a_100138425928_100000763275 [0,1,0,1,0,0|2,0,0]=4 2042 B9R1.84 CC(C)NCC1CCC1 34a_100000738700_100000210206 [0,1,0,1,0,0|2,0,0]=4 2043 B9R1.84 CC(C)NCC1CCC1 34a_100138425928_100000763275 [0,1,0,1,0,0|2,0,0]=4 2044 B9R1.84 CC(C)NCC1CCO1 2230a_100138425928_100000103362 [0,1,0,1,0,0|2,0,0]=4 2045 B9R1.84 CC(C)NCC1CCO1 34a_100138425928_100000103362 [0,1,0,1,0,0|2,0,0]=4 2046 B9R1.84 CC(C)NCC1COC1 2230a_100015281925_100000210206 [0,1,0,1,0,0|2,0,0]=4 2047 B9R1.84 CC(C)NCC1COC1 2230a_100138425928_100010264016 [0,1,0,1,0,0|2,0,0]=4 2048 B9R1.84 CC(C)NCC1COC1 34a_100015281925_100000210206 [0,1,0,1,0,0|2,0,0]=4 2049 B9R1.84 CC(C)NCC1COC1 34a_100138425928_100010264016 [0,1,0,1,0,0|2,0,0]=4 2050 B9R1.84 CC(C)NC[C@@H]1CCO1 2230a_100020831831_100000210206 [0,1,0,1,0,0|2,0,0]=4 2051 B9R1.84 CC(C)NC[C@@H]1CCO1 34a_100020831831_100000210206 [0,1,0,1,0,0|2,0,0]=4 2052 B9R1.84 CC(C)OCC1CCC1 34a_100000212225_100000763275 [0,1,0,1,0,0|1,1,0]=4 2053 B9R1.84 CC(C)OCC1CCC1 34a_100000760304_100000210206 [0,1,0,1,0,0|1,1,0]=4 2054 B9R1.84 CC(C)OCC1CCO1 34a_100000039022_100000210206 [0,1,0,1,0,0|1,1,0]=4 2055 B9R1.84 CC(C)OCC1CCO1 34a_100000212225_100000103362 [0,1,0,1,0,0|1,1,0]=4 2056 B9R1.84 CC(C)OCC1CNC1 34a_100016987283_100000210206 [0,1,0,1,0,0|1,1,0]=4 2057 B9R1.84 CC(C)OCC1COC1 34a_100000060846_100000210206 [0,1,0,1,0,0|1,1,0]=4 2058 B9R1.84 CC(C)OCC1COC1 34a_100000212225_100010264016 [0,1,0,1,0,0|1,1,0]=4 2059 B9R1.84 CC(C)SCC1CCC1 62a_100000210206_100000763275 [0,1,0,1,0,0|1,0,0]=3 2060 B9R1.84 CC(C)SCC1CCC1 62a_100000763275_100000210206 [0,1,0,1,0,0|1,0,0]=3 2061 B9R1.84 CC(C)SCC1CCO1 62a_100000103362_100000210206 [0,1,0,1,0,0|1,0,0]=3 2062 B9R1.84 CC(C)SCC1CCO1 62a_100000210206_100000103362 [0,1,0,1,0,0|1,0,0]=3 2063 B9R1.84 CC(C)SCC1COC1 62a_100000210206_100010264016 [0,1,0,1,0,0|1,0,0]=3 2064 B9R1.84 CC(C)SCC1COC1 62a_100010264016_100000210206 [0,1,0,1,0,0|1,0,0]=3 2065 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [0,1,0,1,0,0|2,0,0]=4 2066 B9R1.84 CC(O)CSC1COC1 62a_100011218427_100009818527 [0,1,0,1,0,0|2,0,0]=4 2067 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [0,1,0,1,0,0|2,0,0]=4 2068 B9R1.84 C[C@@H](O)CSC1COC1 62a_100009817552_100009818527 [0,1,0,1,0,0|2,0,0]=4 2069 B9R1.95 CC(C)N1CC(C1)CF 269982a_100010363649_100000210206 [0,1,0,1,0,0|2,0,0]=4 2070 B9R1.95 CC(C)N1CC(C1)CF 34a_100010363649_100000210206 [0,1,0,1,0,0|2,0,0]=4 2071 B9R1.95 CC(C)N1CC(C1)CO 269982a_100016987283_100000210206 [0,1,0,1,0,0|2,0,0]=4 2072 B9R1.95 CC(C)N1CC(C1)CO 34a_100016987283_100000210206 [0,1,0,1,0,0|2,0,0]=4 2073 B9R1.95 CCC1CN(C1)C(C)C 2230a_100015205115_100000210206 [0,1,0,1,0,0|2,0,0]=4 2074 B9R1.95 CCC1CN(C1)C(C)C 269982a_100015205115_100000210206 [0,1,0,1,0,0|2,0,0]=4 2075 B9R1.95 COC1CN(C1)C(C)C 269982a_100000755009_100000210206 [0,1,0,1,0,0|2,0,0]=4 2076 B9R1.95 CSC1CN(C1)C(C)C 269982a_100016990038_100000210206 [0,1,0,1,0,0|2,0,0]=4 2077 B9R1.133 CNC1CCC(C1)(C)C 270004a_106832991635_100000759959 [0,1,0,1,0,0|2,0,0]=4 2078 B9R1.138 CC1CCC(N1C)(C)C 2230a_100015204717_200000210301 [0,1,0,1,0,0|2,0,0]=4 2079 B9R1.138 CC1CCC(N1C)(C)C 269982a_100015204717_200000210301 [0,1,0,1,0,0|2,0,0]=4 2080 B9R1.138 CC1CCC(N1C)(C)C 34a_100015204717_200000210301 [0,1,0,1,0,0|2,0,0]=4 2081 B9R1.138 CC1CCC(N1[13CH3])(C)C 2230a_100015204717_200025704644 [0,1,0,1,0,0|2,0,0]=4 2082 B9R1.138 CC1CCC(N1[13CH3])(C)C 269982a_100015204717_200025704644 [0,1,0,1,0,0|2,0,0]=4 2083 B9R1.138 CC1CCC(N1[13CH3])(C)C 34a_100015204717_200025704644 [0,1,0,1,0,0|2,0,0]=4 2084 B9R1.147 CC(C)CNC1(CC1)C 2230a_100000757604_100000210760 [0,1,0,1,0,0|2,0,0]=4 2085 B9R1.147 CC(C)COC1(CC1)C 7a_100011725673_100000210760 [0,1,0,1,0,0|1,1,0]=4 2086 B9R1.147 CC(C)NCC1(CC1)C 2230a_100000766693_100000210206 [0,1,0,1,0,0|2,0,0]=4 2087 B9R1.147 CC(C)NCC1(CC1)O 2230a_100011936951_100000210206 [0,1,0,1,0,0|2,0,0]=4 2088 B9R1.147 CC(C)NCC1(CO1)C 34a_100138425928_100000760498 [0,1,0,1,0,0|2,0,0]=4 2089 B9R1.147 CC(C)OCC1(CC1)C 7a_100000698024_100000210206 [0,1,0,1,0,0|1,1,0]=4 2090 B9R1.147 CC(C)OCC1(CC1)F 34a_200000703853_100000210206 [0,1,0,1,0,0|1,1,0]=4 2091 B9R1.147 CC(C)OCC1(CC1)F 7a_200000703853_100000210206 [0,1,0,1,0,0|1,1,0]=4 2092 B9R1.147 CC(C)OCC1(CO1)C 34a_100000212225_100000760498 [0,1,0,1,0,0|1,1,0]=4 2093 B9R1.147 CC(C)SCC1(CO1)C 62a_100000210206_100000760498 [0,1,0,1,0,0|1,0,0]=3 2094 B9R1.147 CC(C)SCC1(CO1)C 62a_100000760498_100000210206 [0,1,0,1,0,0|1,0,0]=3 2095 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,1,0,1,0,0|2,0,0]=4 2096 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,1,0,1,0,0|2,0,0]=4 2097 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,1,0,1,0,0|2,0,0]=4 2098 B9R1.112 CC(C)C(=O)NC1CC1 1626a_100000212008_100000210198 [0,1,0,1,0,0|2,0,0]=4 2099 B9R1.112 CC(C)C(=O)NC1CC1 240690a_100000212008_100000210198 [0,1,0,1,0,0|2,0,0]=4 2100 B9R1.112 CC(C)C(=O)NC1CC1 527a_100000212008_100000210198 [0,1,0,1,0,0|2,0,0]=4 2101 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000738798_200000210301 [0,1,0,1,0,0|2,0,0]=4 2102 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000741881_100000210206 [0,1,0,1,0,0|2,0,0]=4 2103 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000738798_200000210301 [0,1,0,1,0,0|2,0,0]=4 2104 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000741881_100000210206 [0,1,0,1,0,0|2,0,0]=4 2105 B9R1.112 CC(C)N(C)CC1CC1 269982a_200000211004_100000756562 [0,1,0,1,0,0|2,0,0]=4 2106 B9R1.112 CC(C)N(C)CC1CC1 34a_100000738798_200000210301 [0,1,0,1,0,0|2,0,0]=4 2107 B9R1.112 CC(C)N([13CH3])CC1CC1 2230a_100000738798_200025704644 [0,1,0,1,0,0|2,0,0]=4 2108 B9R1.112 CC(C)N([13CH3])CC1CC1 269982a_100000738798_200025704644 [0,1,0,1,0,0|2,0,0]=4 2109 B9R1.112 CC(C)N([13CH3])CC1CC1 34a_100000738798_200025704644 [0,1,0,1,0,0|2,0,0]=4 2110 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [0,1,0,1,0,0|2,0,0]=4 2111 B9R1.137 CC(C)CN(C)C1CC1 2230a_100000226674_100000210760 [0,1,0,1,0,0|2,0,0]=4 2112 B9R1.137 CC(C)CN(C)C1CC1 2230a_100000737031_200000210301 [0,1,0,1,0,0|2,0,0]=4 2113 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000226674_100000210624 [0,1,0,1,0,0|2,0,0]=4 2114 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000737031_200000210301 [0,1,0,1,0,0|2,0,0]=4 2115 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000747067_100000211595 [0,1,0,1,0,0|2,0,0]=4 2116 B9R1.137 CC(C)CN(C)C1CC1 270004a_100000226674_100000210432 [0,1,0,1,0,0|2,0,0]=4 2117 B9R1.137 CC(C)CN(C)C1CC1 34a_100000737031_200000210301 [0,1,0,1,0,0|2,0,0]=4 2118 B9R1.137 CC(C)CN([13CH3])C1CC1 2230a_100000737031_200025704644 [0,1,0,1,0,0|2,0,0]=4 2119 B9R1.137 CC(C)CN([13CH3])C1CC1 269982a_100000737031_200025704644 [0,1,0,1,0,0|2,0,0]=4 2120 B9R1.137 CC(C)CN([13CH3])C1CC1 34a_100000737031_200025704644 [0,1,0,1,0,0|2,0,0]=4 2121 B9R1.137 CC(C)NC(=O)C1CC1 11a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 2122 B9R1.137 CC(C)NC(=O)C1CC1 1626a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 2123 B9R1.137 CC(C)NC(=O)C1CC1 240690a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 2124 B9R1.137 CC(C)NC(=O)C1CC1 527a_100138425928_100000210395 [0,1,0,1,0,0|2,0,0]=4 2125 B9R1.137 CC(C)NC(C)C1CC1 2230a_100000700016_100000210206 [0,1,0,1,0,0|2,0,0]=4 2126 B9R1.137 CC(C)NC(C)C1CC1 34a_100000700016_100000210206 [0,1,0,1,0,0|2,0,0]=4 2127 B9R1.137 CC(C)OC(C)C1CC1 34a_100000744524_100000210206 [0,1,0,1,0,0|1,1,0]=4 2128 B9R1.137 CC(C)OC(C)C1CC1 7a_100000744524_100000210206 [0,1,0,1,0,0|1,1,0]=4 2129 B9R1.164 CC(C)N1CC(C1)(C)C 2230a_100000753659_100000210206 [0,1,0,1,0,0|2,0,0]=4 2130 B9R1.164 CC(C)N1CC(C1)(C)C 269982a_100000753659_100000210206 [0,1,0,1,0,0|2,0,0]=4 2131 B9R1.164 CC(C)N1CC(C1)(C)F 2230a_100000696199_100000210206 [0,1,0,1,0,0|2,0,0]=4 2132 B9R1.164 CC(C)N1CC(C1)(C)F 269982a_100000696199_100000210206 [0,1,0,1,0,0|2,0,0]=4 2133 B9R1.164 CC(C)N1CC(C1)(C)O 2230a_100000718560_100000210206 [0,1,0,1,0,0|2,0,0]=4 2134 B9R1.164 CC(C)N1CC(C1)(C)O 269982a_100000718560_100000210206 [0,1,0,1,0,0|2,0,0]=4 2135 B9R1.51 CC1CN(C1)C(C)(C)C 269982a_100000702820_100000210625 [0,1,0,1,0,0|2,0,0]=4 2136 B9R1.51 CC1CN(C1)C(C)(C)C 34a_100000702820_100000210625 [0,1,0,1,0,0|2,0,0]=4 2137 B9R1.115 CC(C)(C)CNC1CC1 34a_100000212008_100011219605 [0,1,0,1,0,0|2,0,0]=4 2138 B9R1.115 CC(C)(C)CSC1CC1 62a_100011219605_100000211595 [0,1,0,1,0,0|1,0,0]=3 2139 B9R1.115 CC(C)(C)NCC1CC1 2230a_100000715429_100000742324 [0,1,0,1,0,0|2,0,0]=4 2140 B9R1.115 CC(C)(C)NCC1CC1 34a_100000735609_100000210625 [0,1,0,1,0,0|2,0,0]=4 2141 B9R1.115 CC(C)(C)OCC1CC1 34a_100000211283_100000210625 [0,1,0,1,0,0|1,1,0]=4 2142 B9R1.115 CC(C)(C)OCC1CC1 34a_100015890283_100000742324 [0,1,0,1,0,0|1,1,0]=4 2143 B9R1.115 CC(C)(C)OCC1CC1 7a_100015890283_100000742324 [0,1,0,1,0,0|1,1,0]=4 2144 B9R1.115 CC(C)(C)SCC1CC1 62a_100000211941_100000742324 [0,1,0,1,0,0|1,0,0]=3 2145 B9R1.115 CC(C)(C)SCC1CC1 62a_100000756562_100000211941 [0,1,0,1,0,0|1,0,0]=3 2146 B9R1.115 CC(C)(C)SCC1CO1 62a_100000211941_102125554688 [0,1,0,1,0,0|2,0,0]=4 2147 B9R1.115 CC(C)(C)SCC1CO1 62a_102125554688_100000211941 [0,1,0,1,0,0|2,0,0]=4 2148 B9R1.115 CC(C)(C)SCC1CS1 62a_100000031435_100000211941 [0,1,0,1,0,0|2,0,0]=4 2149 B9R1.115 CC(C)(C)SCC1CS1 62a_100000211941_100000031435 [0,1,0,1,0,0|2,0,0]=4 2150 B9R1.115 CC(C)(C)SC[C@@H]1CO1 62a_100000211941_100000745022 [0,1,0,1,0,0|2,0,0]=4 2151 B9R1.115 CC(C)(C)SC[C@@H]1CO1 62a_100000745022_100000211941 [0,1,0,1,0,0|2,0,0]=4 2152 B9R1.115 CC(C)(F)CNC1CC1 34a_100000212008_100011997219 [0,1,0,1,0,0|2,0,0]=4 2153 B9R1.115 CC(C)(F)COC1CC1 34a_100000716592_100000211595 [0,1,0,1,0,0|1,1,0]=4 2154 B9R1.115 CC(C)(F)CSC1CC1 62a_100011997219_100000211595 [0,1,0,1,0,0|1,0,0]=3 2155 B9R1.115 CC(C)(O)CNC1CC1 34a_100000212008_100000764493 [0,1,0,1,0,0|2,0,0]=4 2156 B9R1.115 CC(C)(O)CSC1CC1 62a_100000764493_100000211595 [0,1,0,1,0,0|1,0,0]=3 2157 B9R1.115 C[N+](C)(C)CSC1CC1 62a_200000036245_100000211595 [0,1,0,1,0,0|2,0,0]=4 2158 B9R1.115 C[Si](C)(C)CSC1CC1 62a_100000037933_100000211595 [0,1,0,1,0,0|1,1,0]=4 2159 B9R2.41 CC1CN(C1)C2CC2 269982a_100000702820_100000211595 [0,0,0,2,0,0|2,0,0]=4 2160 B9R2.41 CC1CN(C1)C2CC2 34a_100000702820_100000211595 [0,0,0,2,0,0|2,0,0]=4 2161 B9R2.69 C1CC1CNC2CC2 34a_100000212008_100000742324 [0,0,0,2,0,0|2,0,0]=4 2162 B9R2.69 C1CC1CNC2CC2 34a_100000735609_100000211595 [0,0,0,2,0,0|2,0,0]=4 2163 B9R2.69 C1CC1COC2CC2 34a_100000211283_100000211595 [0,0,0,2,0,0|1,1,0]=4 2164 B9R2.69 C1CC1CSC2CC2 62a_100000756562_100000211595 [0,0,0,2,0,0|1,0,0]=3 2165 B9R2.69 C1CC1SCC2CS2 62a_100000031435_100000211595 [0,0,0,2,0,0|2,0,0]=4 2166 B9R2.69 C1CC1SC[C@@H]2CO2 62a_100000745022_100000211595 [0,0,0,2,0,0|2,0,0]=4 2167 B9R2.69 C1OC1CSC2CC2 62a_102125554688_100000211595 [0,0,0,2,0,0|2,0,0]=4 2168 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,2,0|1,0,1]=4 2169 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,2,0|1,0,1]=4 2170 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,2,0|1,0,1]=4 2171 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,0,0,0,2,0|1,0,0]=3 2172 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,0,0,0,2,0|1,0,0]=3 2173 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,0,0,0,2,0|1,0,0]=3 2174 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,0,0,0,2,0|1,0,0]=3 2175 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [0,0,0,0,0,2|1,0,1]=4 2176 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [0,0,0,0,0,2|1,0,1]=4 2177 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,0,0,0,0,2|1,0,1]=4 2178 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,0,0,0,0,2|1,0,1]=4 2179 B9R0.55 CC(C)CC=NNC(C)C 4a_100000741168_100000185833 [0,0,0,0,0,2|2,0,0]=4 2180 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [0,0,0,0,0,2|2,0,0]=4 2181 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [0,0,0,0,0,2|2,0,0]=4 2182 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [0,0,0,0,0,2|2,0,0]=4 2183 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [0,0,0,0,0,2|2,0,0]=4 2184 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [0,0,0,0,0,2|1,1,0]=4 2185 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [0,0,0,0,0,2|1,1,0]=4 2186 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [0,0,0,0,0,2|1,1,0]=4 2187 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [0,0,0,0,0,2|1,0,0]=3 2188 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [0,0,0,0,0,2|1,0,0]=3 2189 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [0,0,0,0,0,2|2,0,0]=4 2190 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [0,0,0,0,0,2|2,0,0]=4 2191 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [0,0,0,0,0,2|2,0,0]=4 2192 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [0,0,0,0,0,2|2,0,0]=4 2193 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [0,0,0,0,0,2|1,1,0]=4 2194 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [0,0,0,0,0,2|1,1,0]=4 2195 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [0,0,0,0,0,2|1,1,0]=4 2196 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [0,0,0,0,0,2|1,0,0]=3 2197 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [0,0,0,0,0,2|1,0,0]=3 2198 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [0,0,0,0,0,2|2,0,0]=4 2199 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [0,0,0,0,0,2|2,0,0]=4 2200 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [0,0,0,0,0,2|2,0,0]=4 2201 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [0,0,0,0,0,2|2,0,0]=4 2202 B9R0.55 CC(C)CNCOC(C)C 2230a_100000210953_100000709892 [0,0,0,0,0,2|1,1,0]=4 2203 B9R0.55 CC(C)CNCOC(C)C 34a_100000210953_100000709892 [0,0,0,0,0,2|1,1,0]=4 2204 B9R0.55 CC(C)COCOC(C)C 34a_100000210257_100000709892 [0,0,0,0,0,2|0,2,0]=4 2205 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,0,0,0,0,2|2,0,0]=4 2206 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,0,0,0,0,2|2,0,0]=4 2207 B9R0.55 CC(C)CSCCN(C)C 62a_100000210624_100000755713 [0,0,0,0,0,2|2,0,0]=4 2208 B9R0.55 CC(C)CSCOC(C)C 62a_100000210624_100000709892 [0,0,0,0,0,2|0,1,0]=3 2209 B9R0.55 CC(C)CSCOC(C)C 62a_100000709892_100000210760 [0,0,0,0,0,2|0,1,0]=3 2210 B9R0.55 CC(C)NCCOC(C)C 2230a_100000701111_100000210206 [0,0,0,0,0,2|1,1,0]=4 2211 B9R0.55 CC(C)NCCOC(C)C 2230a_100138425928_100000211751 [0,0,0,0,0,2|1,1,0]=4 2212 B9R0.55 CC(C)NCCOC(C)C 34a_100000224655_100000210206 [0,0,0,0,0,2|1,1,0]=4 2213 B9R0.55 CC(C)NCCOC(C)C 34a_100000701111_100000210206 [0,0,0,0,0,2|1,1,0]=4 2214 B9R0.55 CC(C)NCCOC(C)C 34a_100138425928_100000211751 [0,0,0,0,0,2|1,1,0]=4 2215 B9R0.55 CC(C)NCCSC(C)C 2230a_100000731138_100000210206 [0,0,0,0,0,2|1,0,0]=3 2216 B9R0.55 CC(C)NCCSC(C)C 2230a_100138425928_100000730970 [0,0,0,0,0,2|1,0,0]=3 2217 B9R0.55 CC(C)NCCSC(C)C 34a_100000731138_100000210206 [0,0,0,0,0,2|1,0,0]=3 2218 B9R0.55 CC(C)NCCSC(C)C 34a_100138425928_100000730970 [0,0,0,0,0,2|1,0,0]=3 2219 B9R0.55 CC(C)OCCOC(C)C 34a_100000211219_100000210206 [0,0,0,0,0,2|0,2,0]=4 2220 B9R0.55 CC(C)OCCOC(C)C 34a_100000212225_100000211751 [0,0,0,0,0,2|0,2,0]=4 2221 B9R0.55 CC(C)OCCOC(C)C 7a_100000211219_100000210206 [0,0,0,0,0,2|0,2,0]=4 2222 B9R0.55 CC(C)OCCSC(C)C 34a_100000212225_100000730970 [0,0,0,0,0,2|0,1,0]=3 2223 B9R0.55 CC(C)OCCSC(C)C 34a_200011212901_100000210206 [0,0,0,0,0,2|0,1,0]=3 2224 B9R0.55 CC(C)OCCSC(C)C 62a_100000210206_100000211751 [0,0,0,0,0,2|0,1,0]=3 2225 B9R0.55 CC(C)OCCSC(C)C 62a_100000211751_100000210206 [0,0,0,0,0,2|0,1,0]=3 2226 B9R0.55 CC(C)OCCSC(C)C 7a_200011212901_100000210206 [0,0,0,0,0,2|0,1,0]=3 2227 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100000709892_100009817552 [0,0,0,0,0,2|1,1,0]=4 2228 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100009817552_100000709892 [0,0,0,0,0,2|1,1,0]=4 2229 B9R0.55 CC(C)SCCCN(C)C 62a_100000210206_100000757444 [0,0,0,0,0,2|2,0,0]=4 2230 B9R0.55 CC(C)SCCSC(C)C 62a_100000210206_100000730970 [0,0,0,0,0,2|0,0,0]=2 2231 B9R0.55 CC(C)SCCSC(C)C 62a_100000730970_100000210206 [0,0,0,0,0,2|0,0,0]=2 2232 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [0,0,0,0,0,2|2,0,0]=4 2233 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [0,0,0,0,0,2|2,0,0]=4 2234 B9R0.55 CC(O)CSCOC(C)C 62a_100000709892_100011218427 [0,0,0,0,0,2|1,1,0]=4 2235 B9R0.55 CC(O)CSCOC(C)C 62a_100011218427_100000709892 [0,0,0,0,0,2|1,1,0]=4