0 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,0,0,0,0,0|3,0,1]=4 80 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,0,0,0,0,0|2,0,1]=3 81 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,0,0,0,0|3,0,0]=3 83 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,0,0,0,0|3,0,0]=3 84 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,0,0,0,0|3,0,0]=3 85 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,0,0,0,0|3,0,0]=3 86 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,0,0,0,0|3,0,0]=3 87 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,0,0,0,0|3,0,0]=3 88 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,0,0,0,0|3,0,0]=3 89 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,0,0,0,0|3,0,0]=3 90 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,0,0,0,0|3,0,0]=3 91 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,0,0,0,0|3,0,0]=3 92 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,0,0,0,0|3,0,0]=3 93 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,0,0,0,0|3,0,0]=3 96 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,0,0,0,0|1,0,2]=3 97 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,0,0,0,0|1,0,2]=3 98 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,0,0,0,0|1,0,2]=3 99 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,0,0,0,0,0|1,0,2]=3 100 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,0,0,0,0|2,0,1]=3 101 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,0,0,0,0|2,0,1]=3 102 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,0,0,0,0|2,0,1]=3 103 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,0,0,0,0,0|2,0,1]=3 104 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,0,0,0,0,0|2,0,1]=3 105 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,0,0,0,0|2,0,1]=3 106 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,0,0,0,0|2,0,1]=3 107 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,0,0,0,0,0|2,0,1]=3 108 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,0,0,0,0,0|2,0,1]=3 109 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,0,0,0,0,0|2,1,1]=4 111 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,0,0,0,0,0|2,1,1]=4 112 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,0,0,0,0|2,1,1]=4 113 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,0,0,0,0,0|3,0,1]=4 114 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,0,0,0,0,0|3,0,1]=4 115 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,0,0,0,0,0|3,0,1]=4 116 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,0,0,0,0|3,0,1]=4 117 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,0,0,0,0,0|2,1,1]=4 118 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,0,0,0,0,0|4,0,0]=4 119 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,0,0,0,0,0|3,0,1]=4 120 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,0,0,0,0,0|3,0,1]=4 121 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,0,0,0,0|2,1,1]=4 122 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,0,0,0,0|2,1,1]=4 123 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,0,0,0,0,0|3,0,1]=4 124 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,0,0,0,0,0|3,0,1]=4 125 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,0,0,0,0,0|3,0,1]=4 126 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,0,0,0,0,0|2,1,1]=4 127 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,0,0,0,0,0|2,1,1]=4 128 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,0,0,0,0,0|4,0,0]=4 129 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,0,0,0,0,0|4,0,0]=4 130 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,0,0,0,0,0|4,0,0]=4 131 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,0,0,0,0,0|4,0,0]=4 132 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,0,0,0,0,0|3,0,1]=4 133 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,0,0,0,0,0|2,0,2]=4 134 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,0,0,0,0,0|2,0,2]=4 135 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,0,0,0,0,0|2,0,2]=4 136 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,0,0,0,0,0|2,0,2]=4 137 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,0,0,0,0,0|2,0,2]=4 138 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,0,0,0,0,0|2,0,2]=4 139 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,0,0,0,0,0|2,0,2]=4 140 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,0,0,0,0,0|2,0,2]=4 141 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,0,0,0,0,0|3,0,1]=4 142 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,0,0,0,0,0|3,0,1]=4 143 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,0,0,0,0,0|3,0,1]=4 144 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,0,0,0,0,0|3,0,1]=4 145 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,0,0,0,0|3,0,1]=4 146 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,0,0,0,0,0|2,1,1]=4 147 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,0,0,0,0,0|3,0,1]=4 148 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,0,0,0,0,0|3,0,1]=4 149 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,0,0,0,0,0|3,0,1]=4 150 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,0,0,0,0,0|3,0,1]=4 151 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,0,0,0,0,0|3,0,1]=4 152 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,0,0,0,0,0|3,0,1]=4 153 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,0,0,0,0,0|3,0,1]=4 154 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,0,0,0,0,0|3,0,1]=4 155 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,0,0,0,0,0|3,0,1]=4 156 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,0,0,0,0,0|3,0,1]=4 157 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,0,0,0,0,0|3,0,1]=4 158 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,0,0,0,0,0|3,0,1]=4 159 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,0,0,0,0,0|4,0,0]=4 160 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,0,0,0,0,0|3,0,1]=4 161 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,0,0,0,0,0|3,0,1]=4 162 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,0,0,0,0,0|3,0,1]=4 163 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,0,0,0,0,0|3,0,1]=4 165 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,0,0,0,0,0|3,0,1]=4 166 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,0,0,0,0,0|3,0,1]=4 167 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,0,0,0,0,0|3,0,1]=4 168 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,0,0,0,0,0|3,0,1]=4 169 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,0,0,0,0,0|3,0,1]=4 170 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,0,0,0,0,0|3,0,1]=4 171 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,0,0,0,0,0|3,0,1]=4 172 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,0,0,0,0,0|3,0,1]=4 173 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,0,0,0,0,0|3,0,1]=4 174 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,0,0,0,0,0|3,0,1]=4 175 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,0,0,0,0,0|3,0,1]=4 176 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,0,0,0,0,0|3,0,1]=4 177 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,0,0,0,0,0|2,1,1]=4 178 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,0,0,0,0,0|2,1,1]=4 179 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,0,0,0,0,0|3,0,1]=4 180 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,0,0,0,0,0|3,0,1]=4 181 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,0,0,0,0,0|3,0,1]=4 182 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,0,0,0,0,0|3,0,1]=4 183 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,0,0,0,0,0|3,0,1]=4 184 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,0,0,0,0,0|3,0,1]=4 185 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,0,0,0,0,0|3,0,1]=4 186 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,0,0,0,0,0|3,0,1]=4 187 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,0,0,0,0,0|3,0,1]=4 188 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,0,0,0,0,0|3,0,1]=4 189 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,0,0,0,0,0|3,0,1]=4 190 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,0,0,0,0,0|3,0,1]=4 191 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,0,0,0,0,0|3,0,1]=4 192 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,0,0,0,0,0|3,0,1]=4 193 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,0,0,0,0,0|3,0,1]=4 194 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,0,0,0,0,0|3,0,1]=4 195 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,0,0,0,0,0|3,0,1]=4 196 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,0,0,0,0,0|3,0,1]=4 197 B6R0.6 CCSCSC#N 62a_100000210202_100000211825 [0,0,0,0,0,0|3,0,1]=4 198 B6R0.6 CCSCSC#N 62a_100000211825_100000210202 [0,0,0,0,0,0|3,0,1]=4 199 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,0,0,0,0,0|3,0,1]=4 200 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,0,0,0,0,0|3,0,1]=4 201 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,0,0,0,0|2,1,1]=4 202 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,0,0,0,0|2,1,1]=4 203 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,0,0,0,0,0|3,0,1]=4 204 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,0,0,0,0,0|3,0,1]=4 205 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,0,0,0,0,0|3,0,1]=4 206 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,0,0,0,0,0|2,1,1]=4 207 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,0,0,0,0,0|2,1,1]=4 208 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,0,0,0,0,0|2,1,1]=4 209 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,0,0,0,0,0|2,1,1]=4 210 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,0,0,0,0,0|2,1,1]=4 211 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,0,0,0,0,0|4,0,0]=4 212 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,0,0,0,0,0|4,0,0]=4 213 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,0,0,0,0,0|4,0,0]=4 214 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,0,0,0,0,0|4,0,0]=4 215 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,0,0,0,0,0|4,0,0]=4 216 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,0,0,0,0,0|4,0,0]=4 217 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,0,0,0,0,0|4,0,0]=4 218 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,0,0,0,0,0|3,0,1]=4 219 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,0,0,0,0,0|3,0,1]=4 220 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,0,0,0,0,0|3,0,1]=4 221 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,0,0,0,0,0|3,0,1]=4 222 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,0,0,0,0,0|3,0,1]=4 223 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,0,0,0,0,0|3,0,1]=4 224 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,0,0,0,0,0|3,0,1]=4 225 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,0,0,0,0,0|3,0,1]=4 226 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,0,0,0,0,0|2,1,1]=4 227 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,0,0,0,0,0|4,0,0]=4 228 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,0,0,0,0,0|4,0,0]=4 229 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,0,0,0,0,0|4,0,0]=4 230 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,0,0,0,0,0|4,0,0]=4 231 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,0,0,0,0,0|4,0,0]=4 232 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,0,0,0,0,0|4,0,0]=4 233 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,0,0,0,0,0|4,0,0]=4 234 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,0,0,0,0,0|4,0,0]=4 235 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,0,0,0,0,0|4,0,0]=4 236 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,0,0,0,0,0|4,0,0]=4 237 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,0,0,0,0,0|3,0,1]=4 238 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,0,0,0,0,0|3,0,1]=4 239 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,0,0,0,0,0|3,0,1]=4 240 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,0,0,0,0,0|3,0,1]=4 241 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,0,0,0,0,0|3,0,1]=4 242 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,0,0,0,0,0|2,1,1]=4 243 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,0,0,0,0,0|2,1,1]=4 244 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,0,0,0,0,0|3,0,1]=4 245 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,0,0,0,0,0|3,0,1]=4 246 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,0,0,0,0,0|2,1,1]=4 247 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,0,0,0,0,0|2,1,1]=4 248 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,0,0,0,0,0|4,0,0]=4 249 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,0,0,0,0,0|4,0,0]=4 250 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,0,0,0,0,0|4,0,0]=4 251 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,0,0,0,0,0|3,0,1]=4 252 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,0,0,0,0,0|3,0,1]=4 253 B6R0.6 CSCCSC#N 62a_100000034367_200000210301 [0,0,0,0,0,0|3,0,1]=4 254 B6R0.6 CSCCSC#N 62a_200000210301_100000034367 [0,0,0,0,0,0|3,0,1]=4 255 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,0,0,0,0,0|3,0,1]=4 256 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,0,0,0,0,0|3,0,1]=4 257 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,0,0,0,0,0|2,0,2]=4 258 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,0,0,0,0,0|3,0,1]=4 259 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,0,0,0,0,0|3,0,1]=4 260 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,0,0,0,0,0|3,0,1]=4 261 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,0,0,0,0,0|3,0,1]=4 262 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,0,0,0,0,0|3,0,1]=4 263 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,0,0,0,0,0|3,0,1]=4 264 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,0,0,0,0,0|3,0,1]=4 265 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,0,0,0,0,0|3,0,1]=4 266 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,0,0,0,0,0|2,1,1]=4 267 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,0,0,0,0,0|2,1,1]=4 268 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,0,0,0,0,0|3,0,1]=4 269 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,0,0,0,0,0|3,0,1]=4 270 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,0,0,0,0,0|3,0,1]=4 271 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,0,0,0,0,0|3,0,1]=4 272 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,0,0,0,0,0|3,0,1]=4 273 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,0,0,0,0,0|3,0,1]=4 274 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,0,0,0,0,0|3,0,1]=4 275 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,0,0,0,0,0|3,0,1]=4 276 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,0,0,0,0,0|3,0,1]=4 277 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,0,0,0,0,0|2,1,1]=4 278 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,0,0,0,0,0|2,1,1]=4 279 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,0,0,0,0,0|3,0,1]=4 280 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,0,0,0,0,0|3,0,1]=4 281 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,0,0,0,0,0|2,1,1]=4 282 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,0,0,0,0,0|2,1,1]=4 283 B6R0.6 [13CH3]SCCSC#N 62a_100000034367_200025704644 [0,0,0,0,0,0|3,0,1]=4 284 B6R0.6 [13CH3]SCCSC#N 62a_200025704644_100000034367 [0,0,0,0,0,0|3,0,1]=4 285 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,0,0,0,0,0|2,0,1]=4 288 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,0,0,0,0,0|2,0,1]=4 289 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,0,0,0,0,0|2,0,1]=4 290 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,0,0,0,0,0|2,0,1]=4 291 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,0,0,0,0,0|2,0,1]=4 292 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,0,0,0,0,0|2,0,1]=4 293 B5R0.2 C#CCCSC 62a_100000688953_200000210301 [1,0,0,0,0,0|2,0,1]=4 294 B5R0.2 C#CCCSC 62a_200000210301_100000688953 [1,0,0,0,0,0|2,0,1]=4 295 B5R0.2 C#CCCS[13CH3] 62a_100000688953_200025704644 [1,0,0,0,0,0|2,0,1]=4 296 B5R0.2 C#CCCS[13CH3] 62a_200025704644_100000688953 [1,0,0,0,0,0|2,0,1]=4 297 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,0,0,0,0|2,0,1]=4 298 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,0,0,0,0|2,0,1]=4 299 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|2,0,1]=4 300 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|2,0,1]=4 301 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,0,0,0,0,0|2,0,1]=4 302 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|2,0,1]=4 303 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|2,0,1]=4 307 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|2,0,1]=4 308 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|2,0,1]=4 309 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|2,0,1]=4 310 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|2,0,1]=4 311 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|2,0,1]=4 312 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|2,0,1]=4 313 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|2,0,1]=4 314 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|2,0,1]=4 315 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|2,0,1]=4 317 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|2,0,1]=4 318 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|0,0,2]=3 322 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|0,0,2]=3 323 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|0,0,2]=3 324 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|0,0,2]=3 325 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|0,0,2]=3 326 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|0,0,2]=3 327 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|0,0,2]=3 328 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|1,0,1]=3 329 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|1,0,1]=3 330 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|1,0,1]=3 331 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|1,0,1]=3 332 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|1,0,1]=3 333 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|1,0,1]=3 334 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|1,0,1]=3 335 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|1,0,1]=3 336 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|1,0,1]=3 337 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|1,0,2]=4 338 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|2,0,1]=4 339 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|2,0,1]=4 340 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|2,0,1]=4 341 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|2,0,1]=4 342 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|2,0,1]=4 343 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|2,0,1]=4 344 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|2,0,1]=4 345 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,0,0,0,0|2,0,1]=4 346 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|1,1,1]=4 347 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|2,0,1]=4 348 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|2,0,1]=4 349 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|1,1,1]=4 350 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|1,1,1]=4 351 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|1,1,1]=4 352 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|2,0,1]=4 353 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|2,0,1]=4 354 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,1,1]=4 355 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|2,0,1]=4 356 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|2,0,1]=4 357 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|2,0,1]=4 358 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|1,1,1]=4 359 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|2,0,1]=4 360 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|2,0,1]=4 361 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|2,0,1]=4 362 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|2,0,1]=4 363 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|2,0,1]=4 364 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,0,0,0,0,0|2,0,1]=4 365 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,0,0,0,0,0|2,0,1]=4 366 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|1,1,1]=4 367 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|1,1,1]=4 368 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|2,0,1]=4 369 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|2,0,1]=4 370 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|1,1,1]=4 371 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|1,1,1]=4 372 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|2,0,1]=4 373 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|2,0,1]=4 374 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|2,0,1]=4 375 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|2,0,1]=4 376 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,0,0,0,0,0|2,0,1]=4 377 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,0,0,0,0,0|2,0,1]=4 378 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|1,0,2]=4 379 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|1,0,2]=4 380 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|1,0,2]=4 381 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|1,0,2]=4 382 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|1,0,2]=4 383 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|1,0,2]=4 384 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|1,0,2]=4 385 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|1,0,2]=4 386 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,0,0,0,0|1,0,2]=4 387 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,0,0,0,0|1,0,2]=4 388 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,0,0,0,0|1,0,2]=4 389 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,0,0,0,0|1,0,2]=4 390 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,0,0,0,0|1,0,2]=4 391 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,0,0,0,0|1,0,2]=4 392 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,0,0,0,0|1,0,2]=4 393 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,0,0,0,0|1,0,2]=4 394 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|2,0,1]=4 395 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|2,0,1]=4 396 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|2,0,1]=4 397 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|2,0,1]=4 398 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|2,0,1]=4 399 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|1,1,1]=4 400 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,0,0,0,0|1,0,2]=4 401 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,0,0,0,0|2,0,1]=4 402 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,0,0,0,0|2,0,1]=4 403 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,0,0,0,0|3,0,0]=4 404 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,0,0,0,0|2,0,1]=4 405 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,0,0,0,0|2,0,1]=4 406 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,0,0,0,0|2,0,1]=4 407 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,0,0,0,0|2,0,1]=4 408 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,0,0,0,0|2,0,1]=4 409 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,0,0,0,0|2,0,1]=4 410 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,0,0,0,0|2,0,1]=4 411 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,0,0,0,0|2,0,1]=4 412 B5R0.2 CSCCC#N 62a_100011215226_200000210301 [1,0,0,0,0,0|2,0,1]=4 413 B5R0.2 CSCCC#N 62a_200000210301_100011215226 [1,0,0,0,0,0|2,0,1]=4 414 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|2,0,1]=4 415 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|2,0,1]=4 416 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|1,1,1]=4 417 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|1,1,1]=4 418 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,0,0,0,0|1,0,2]=4 419 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,0,0,0,0|2,0,1]=4 420 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,0,0,0,0|2,0,1]=4 421 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,0,0,0,0|2,0,1]=4 422 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,0,0,0,0|2,0,1]=4 423 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,0,0,0,0|2,0,1]=4 424 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,0,0,0,0|2,0,1]=4 425 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|1,0,2]=4 426 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|1,0,2]=4 427 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|2,0,1]=4 428 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|2,0,1]=4 429 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|2,0,1]=4 430 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|2,0,1]=4 431 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,0,0,0,0|3,0,0]=4 432 B5R0.2 [13CH3]SCCC#N 62a_100011215226_200025704644 [1,0,0,0,0,0|2,0,1]=4 433 B5R0.2 [13CH3]SCCC#N 62a_200025704644_100011215226 [1,0,0,0,0,0|2,0,1]=4 434 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|2,0,1]=4 435 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|2,0,1]=4 436 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|1,1,1]=4 437 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|1,1,1]=4 438 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [0,1,0,0,0,0|2,0,1]=4 442 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,1,0,0,0,0|2,0,1]=4 446 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,1,0,0,0,0|2,0,1]=4 447 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,1,0,0,0,0|2,0,1]=4 448 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,1,0,0,0,0|2,0,1]=4 449 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,1,0,0,0,0|2,0,1]=4 450 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [0,1,0,0,0,0|2,0,1]=4 452 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,1,0,0,0,0|2,0,1]=4 459 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,1,0,0,0,0|2,0,1]=4 462 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,1,0,0,0,0|2,0,1]=4 463 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,1,0,0,0,0|2,0,1]=4 464 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,1,0,0,0,0|2,0,1]=4 465 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,1,0,0,0,0|2,0,1]=4 466 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,1,0,0,0,0|1,0,2]=4 467 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,1,0,0,0,0|1,0,2]=4 468 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,1,0,0,0,0|1,0,2]=4 469 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,1,0,0,0,0|2,0,1]=4 470 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,1,0,0,0,0|2,0,1]=4 471 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,1,0,0,0,0|2,0,1]=4 472 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,1,0,0,0,0|2,0,1]=4 473 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,1,0,0,0,0|2,0,1]=4 474 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,1,0,0,0,0|2,0,1]=4 475 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,1,0,0,0,0|2,0,1]=4 476 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,1,0,0,0,0|2,0,1]=4 477 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,1,0,0,0,0|2,0,1]=4 478 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,1,0,0,0,0|2,0,1]=4 479 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,1,0,0,0,0|2,0,1]=4 480 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,1,0,0,0,0|2,0,1]=4 481 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,1,0,0,0,0|2,0,1]=4 482 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,1,0,0,0,0|2,0,1]=4 483 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,1,0,0,0,0|2,0,1]=4 484 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,1,0,0,0,0|2,0,1]=4 485 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,1,0,0,0,0|2,0,1]=4 486 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,1,0,0,0,0|2,0,1]=4 487 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,1,0,0,0,0|2,0,1]=4 491 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,1,0,0,0,0|2,0,1]=4 492 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,1,0,0,0,0|2,0,1]=4 493 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,1,0,0,0,0|2,0,1]=4 494 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,1,0,0,0,0|2,0,1]=4 495 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,1,0,0,0,0|2,0,1]=4 496 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,1,0,0,0,0|2,0,1]=4 497 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,1,0,0,0,0|2,0,1]=4 498 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,1,0,0,0,0|2,0,1]=4 499 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,1,0,0,0,0|2,0,1]=4 500 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,1,0,0,0,0|2,0,1]=4 501 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,1,0,0,0,0|2,0,1]=4 502 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,0,0,0,0|2,0,1]=4 503 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,0,0,0,0|2,0,1]=4 504 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,0,0,0,0|2,0,1]=4 505 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,0,0,0,0|2,0,1]=4 506 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,0,0,0,0|2,0,1]=4 507 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,1,0,0,0,0|1,0,2]=4 508 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,1,0,0,0,0|1,0,2]=4 509 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,1,0,0,0,0|1,0,2]=4 510 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,1,0,0,0,0|2,0,1]=4 511 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,1,0,0,0,0|2,0,1]=4 512 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,1,0,0,0,0|2,0,1]=4 513 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,1,0,0,0,0|2,0,1]=4 514 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,1,0,0,0,0|2,0,1]=4 515 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,1,0,0,0,0|2,0,1]=4 517 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,1,0,0,0,0|2,0,1]=4 518 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,1,0,0,0,0|2,0,1]=4 519 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,1,0,0,0,0|2,0,1]=4 520 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,1,0,0,0,0|2,0,1]=4 521 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,1,0,0,0,0|2,0,1]=4 522 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,1,0,0,0,0|2,0,1]=4 523 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,1,0,0,0,0|2,0,1]=4 524 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [0,1,0,0,0,0|2,0,1]=4 525 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [0,1,0,0,0,0|2,0,1]=4 526 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [0,1,0,0,0,0|2,0,1]=4 527 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [0,1,0,0,0,0|2,0,1]=4 528 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [0,1,0,0,0,0|2,0,1]=4 529 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [0,1,0,0,0,0|2,0,1]=4 530 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [0,1,0,0,0,0|2,0,1]=4 531 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [0,1,0,0,0,0|3,0,0]=4 533 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,1,0,0,0,0|2,0,1]=4 534 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,1,0,0,0,0|2,0,1]=4 535 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,1,0,0,0,0|2,0,1]=4 536 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,1,0,0,0,0|2,0,1]=4 537 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,1,0,0,0,0|2,0,1]=4 538 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,1,0,0,0,0|1,0,1]=3 539 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [0,1,0,0,0,0|2,0,1]=4 540 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [0,1,0,0,0,0|1,0,2]=4 541 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,1,0,0,0,0|2,0,1]=4 542 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,1,0,0,0,0|2,0,1]=4 543 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,1,0,0,0,0|2,0,1]=4 544 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,1,0,0,0,0|2,0,1]=4 545 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,1,0,0,0,0|2,0,1]=4 546 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,1,0,0,0,0|1,1,1]=4 547 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,1,0,0,0,0|1,1,1]=4 548 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,1,0,0,0,0|1,1,1]=4 549 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,1,0,0,0,0|1,1,1]=4 550 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,1,0,0,0,0|1,1,1]=4 551 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,1,0,0,0,0|1,0,2]=4 552 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,1,0,0,0,0|1,0,2]=4 553 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,1,0,0,0,0|1,0,2]=4 554 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,1,0,0,0,0|1,0,2]=4 555 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,1,0,0,0,0|1,0,2]=4 556 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,1,0,0,0,0|1,0,2]=4 557 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,1,0,0,0,0|2,0,1]=4 558 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,1,0,0,0,0|2,0,1]=4 559 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,1,0,0,0,0|2,0,1]=4 560 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,1,0,0,0,0|2,0,1]=4 561 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,1,0,0,0,0|2,0,1]=4 562 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,1,0,0,0,0|2,0,1]=4 563 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,1,0,0,0,0|2,0,1]=4 564 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,1,0,0,0,0|2,0,1]=4 565 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,1,0,0,0,0|2,0,1]=4 566 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,1,0,0,0,0|1,0,2]=4 567 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,1,0,0,0,0|1,0,2]=4 568 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,0,0,0,0|0,1,2]=4 569 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,0,0,0,0|0,1,2]=4 570 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,1,0,0,0,0|1,0,2]=4 571 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,1,0,0,0,0|1,0,2]=4 572 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,1,0,0,0,0|1,0,2]=4 573 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,1,0,0,0,0|1,0,2]=4 574 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,1,0,0,0,0|1,0,2]=4 575 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,1,0,0,0,0|0,1,2]=4 576 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,1,0,0,0,0|0,1,2]=4 577 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,1,0,0,0,0|0,1,2]=4 578 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,1,0,0,0,0|0,1,2]=4 579 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,1,0,0,0,0|0,1,2]=4 580 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,1,0,0,0,0|0,0,3]=4 581 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,1,0,0,0,0|2,0,1]=4 582 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,0,0,0,0|1,1,1]=4 583 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,0,0,0,0|1,1,1]=4 584 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,1,0,0,0,0|2,0,1]=4 586 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,1,0,0,0,0|2,0,1]=4 587 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,1,0,0,0,0|2,0,1]=4 588 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,1,0,0,0,0|2,0,1]=4 589 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,1,0,0,0,0|1,1,1]=4 592 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,1,0,0,0,0|1,1,1]=4 593 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,1,0,0,0,0|2,0,1]=4 595 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,1,0,0,0,0|1,1,1]=4 596 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,1,0,0,0,0|1,0,2]=4 597 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,1,0,0,0,0|1,0,2]=4 598 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,1,0,0,0,0|1,0,2]=4 599 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,1,0,0,0,0|1,0,2]=4 600 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,1,0,0,0,0|1,0,2]=4 601 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,1,0,0,0,0|2,0,1]=4 602 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,1,0,0,0,0|2,0,1]=4 603 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,1,0,0,0,0|1,1,1]=4 604 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,1,0,0,0,0|1,1,1]=4 605 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,1,0,0,0,0|2,0,1]=4 606 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,1,0,0,0,0|2,0,1]=4 607 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,1,0,0,0,0|2,0,1]=4 608 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,1,0,0,0,0|2,0,1]=4 609 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,1,0,0,0,0|1,1,1]=4 610 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,1,0,0,0,0|1,1,1]=4 611 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,1,0,0,0,0|1,1,1]=4 612 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,1,0,0,0,0|1,1,1]=4 613 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,1,0,0,0,0|1,0,2]=4 614 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,1,0,0,0,0|1,0,2]=4 615 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,1,0,0,0,0|2,0,1]=4 616 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,1,0,0,0,0|2,0,1]=4 617 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,1,0,0,0,0|3,0,0]=4 618 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,1,0,0,0,0|3,0,0]=4 619 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,1,0,0,0,0|2,0,1]=4 620 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,1,0,0,0,0|2,0,1]=4 621 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,1,0,0,0,0|2,0,1]=4 622 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,1,0,0,0,0|2,0,1]=4 623 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,1,0,0,0,0|2,0,1]=4 624 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,1,0,0,0,0|1,1,1]=4 625 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,1,0,0,0,0|3,0,0]=4 626 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,1,0,0,0,0|3,0,0]=4 627 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,1,0,0,0,0|3,0,0]=4 628 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,1,0,0,0,0|3,0,0]=4 629 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,1,0,0,0,0|3,0,0]=4 630 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,1,0,0,0,0|3,0,0]=4 631 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,1,0,0,0,0|3,0,0]=4 632 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,1,0,0,0,0|3,0,0]=4 633 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,1,0,0,0,0|3,0,0]=4 634 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,1,0,0,0,0|3,0,0]=4 635 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,1,0,0,0,0|3,0,0]=4 636 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,1,0,0,0,0|3,0,0]=4 637 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,1,0,0,0,0|3,0,0]=4 638 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,1,0,0,0,0|3,0,0]=4 639 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,1,0,0,0,0|3,0,0]=4 640 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,1,0,0,0,0|3,0,0]=4 641 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,1,0,0,0,0|3,0,0]=4 642 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,1,0,0,0,0|3,0,0]=4 643 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,1,0,0,0,0|3,0,0]=4 644 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,1,0,0,0,0|3,0,0]=4 645 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,1,0,0,0,0|3,0,0]=4 646 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,1,0,0,0,0|3,0,0]=4 647 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,1,0,0,0,0|2,0,1]=4 648 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,1,0,0,0,0|2,0,1]=4 649 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,1,0,0,0,0|2,0,1]=4 650 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,1,0,0,0,0|2,0,1]=4 651 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,1,0,0,0,0|1,1,1]=4 652 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,1,0,0,0,0|1,1,1]=4 653 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,1,0,0,0,0|3,0,0]=4 654 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,1,0,0,0,0|3,0,0]=4 655 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,1,0,0,0,0|3,0,0]=4 656 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,1,0,0,0,0|3,0,0]=4 657 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,1,0,0,0,0|3,0,0]=4 658 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,1,0,0,0,0|3,0,0]=4 659 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,1,0,0,0,0|3,0,0]=4 660 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,1,0,0,0,0|3,0,0]=4 661 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,1,0,0,0,0|3,0,0]=4 662 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,1,0,0,0,0|3,0,0]=4 663 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,1,0,0,0,0|2,0,1]=4 664 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,1,0,0,0,0|2,0,1]=4 665 B7R0.1 CCCSCSC#N 62a_100000210303_100000211825 [0,1,0,0,0,0|2,0,1]=4 666 B7R0.1 CCCSCSC#N 62a_100000211825_100000210303 [0,1,0,0,0,0|2,0,1]=4 667 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [0,1,0,0,0,0|2,0,1]=4 668 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,1,0,0,0,0|1,1,1]=4 669 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,1,0,0,0,0|1,0,2]=4 670 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,1,0,0,0,0|1,0,2]=4 671 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,1,0,0,0,0|1,0,2]=4 672 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,1,0,0,0,0|1,0,2]=4 673 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,1,0,0,0,0|1,0,2]=4 674 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,1,0,0,0,0|1,0,2]=4 675 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,1,0,0,0,0|1,0,2]=4 676 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,1,0,0,0,0|1,0,2]=4 677 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,1,0,0,0,0|1,0,2]=4 678 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,1,0,0,0,0|1,0,2]=4 679 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,1,0,0,0,0|1,0,2]=4 680 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,1,0,0,0,0|1,0,2]=4 681 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,1,0,0,0,0|2,0,1]=4 682 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,1,0,0,0,0|2,0,1]=4 683 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,1,0,0,0,0|2,0,1]=4 685 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,1,0,0,0,0|2,0,1]=4 686 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,1,0,0,0,0|2,0,1]=4 687 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,1,0,0,0,0|2,0,1]=4 688 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,1,0,0,0,0|2,0,1]=4 689 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,1,0,0,0,0|1,1,1]=4 690 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,1,0,0,0,0|2,0,1]=4 691 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,1,0,0,0,0|2,0,1]=4 692 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,1,0,0,0,0|2,0,1]=4 695 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,1,0,0,0,0|2,0,1]=4 697 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,1,0,0,0,0|2,0,1]=4 698 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,1,0,0,0,0|2,0,1]=4 699 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,1,0,0,0,0|2,0,1]=4 700 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,1,0,0,0,0|2,0,1]=4 701 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,1,0,0,0,0|2,0,1]=4 702 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,1,0,0,0,0|2,0,1]=4 703 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,1,0,0,0,0|2,0,1]=4 704 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,1,0,0,0,0|2,0,1]=4 705 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,1,0,0,0,0|2,0,1]=4 706 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,1,0,0,0,0|2,0,1]=4 707 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,1,0,0,0,0|2,0,1]=4 708 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,1,0,0,0,0|2,0,1]=4 709 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,1,0,0,0,0|2,0,1]=4 710 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,1,0,0,0,0|2,0,1]=4 711 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [0,1,0,0,0,0|1,0,2]=4 712 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [0,1,0,0,0,0|2,0,1]=4 713 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [0,1,0,0,0,0|2,0,1]=4 715 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [0,1,0,0,0,0|2,0,1]=4 716 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [0,1,0,0,0,0|2,0,1]=4 717 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,1,0,0,0,0|2,0,1]=4 718 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,1,0,0,0,0|2,0,1]=4 719 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,1,0,0,0,0|2,0,1]=4 720 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,1,0,0,0,0|2,0,1]=4 721 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,1,0,0,0,0|2,0,1]=4 722 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,1,0,0,0,0|2,0,1]=4 723 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,1,0,0,0,0|2,0,1]=4 724 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [0,1,0,0,0,0|2,0,1]=4 725 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [0,1,0,0,0,0|2,0,1]=4 726 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,1,0,0,0,0|1,1,1]=4 727 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,1,0,0,0,0|1,1,1]=4 728 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,1,0,0,0,0|2,0,1]=4 729 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,1,0,0,0,0|2,0,1]=4 730 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,1,0,0,0,0|1,1,1]=4 731 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,1,0,0,0,0|1,1,1]=4 732 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,1,0,0,0,0|2,0,1]=4 733 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,1,0,0,0,0|2,0,1]=4 734 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,1,0,0,0,0|2,0,1]=4 735 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,1,0,0,0,0|2,0,1]=4 736 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,1,0,0,0,0|2,0,1]=4 737 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,1,0,0,0,0|2,0,1]=4 738 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [0,1,0,0,0,0|2,0,1]=4 739 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [0,1,0,0,0,0|2,0,1]=4 740 B7R0.1 CCSCCSC#N 62a_100000034367_100000210202 [0,1,0,0,0,0|2,0,1]=4 741 B7R0.1 CCSCCSC#N 62a_100000210202_100000034367 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,1,0,0,0,0|2,0,1]=4 743 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,1,0,0,0,0|2,0,1]=4 744 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [0,1,0,0,0,0|2,0,1]=4 745 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [0,1,0,0,0,0|2,0,1]=4 746 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [0,1,0,0,0,0|2,0,1]=4 747 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [0,1,0,0,0,0|2,0,1]=4 748 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,1,0,0,0,0|1,1,1]=4 749 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,1,0,0,0,0|1,1,1]=4 750 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,1,0,0,0,0|2,0,1]=4 751 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,1,0,0,0,0|2,0,1]=4 752 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,1,0,0,0,0|2,0,1]=4 753 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,1,0,0,0,0|1,1,1]=4 754 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,1,0,0,0,0|1,1,1]=4 755 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,1,0,0,0,0|1,1,1]=4 756 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,1,0,0,0,0|1,1,1]=4 757 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,1,0,0,0,0|1,1,1]=4 758 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,1,0,0,0,0|3,0,0]=4 759 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,1,0,0,0,0|3,0,0]=4 760 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,1,0,0,0,0|3,0,0]=4 761 B7R0.1 CNCCCN=[N+]=[N-] 2230a_100000744732_200000210301 [0,1,0,0,0,0|2,0,0]=3 762 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [0,1,0,0,0,0|2,0,1]=4 763 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,1,0,0,0,0|2,0,1]=4 764 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,1,0,0,0,0|2,0,1]=4 765 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,1,0,0,0,0|2,0,1]=4 766 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,1,0,0,0,0|2,0,1]=4 767 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,1,0,0,0,0|2,0,1]=4 768 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,1,0,0,0,0|2,0,1]=4 769 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,1,0,0,0,0|2,0,1]=4 770 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,1,0,0,0,0|2,0,1]=4 771 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,1,0,0,0,0|1,1,1]=4 772 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,1,0,0,0,0|3,0,0]=4 773 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,1,0,0,0,0|3,0,0]=4 774 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,1,0,0,0,0|3,0,0]=4 775 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,1,0,0,0,0|3,0,0]=4 776 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,1,0,0,0,0|3,0,0]=4 777 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,1,0,0,0,0|3,0,0]=4 778 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,1,0,0,0,0|3,0,0]=4 779 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,1,0,0,0,0|3,0,0]=4 780 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,1,0,0,0,0|3,0,0]=4 781 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,1,0,0,0,0|1,0,2]=4 782 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,1,0,0,0,0|2,0,1]=4 783 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,1,0,0,0,0|2,0,1]=4 784 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,1,0,0,0,0|2,0,1]=4 785 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [0,1,0,0,0,0|2,0,1]=4 786 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [0,1,0,0,0,0|2,0,1]=4 787 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,1,0,0,0,0|1,1,1]=4 788 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,1,0,0,0,0|1,1,1]=4 789 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,1,0,0,0,0|2,0,1]=4 790 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,1,0,0,0,0|2,0,1]=4 791 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,1,0,0,0,0|1,1,1]=4 792 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,1,0,0,0,0|1,1,1]=4 793 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,1,0,0,0,0|3,0,0]=4 794 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,1,0,0,0,0|3,0,0]=4 795 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [0,1,0,0,0,0|2,0,1]=4 796 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [0,1,0,0,0,0|2,0,1]=4 797 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,1,0,0,0,0|2,0,1]=4 798 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,1,0,0,0,0|2,0,1]=4 799 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,1,0,0,0,0|2,0,1]=4 800 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,1,0,0,0,0|2,0,1]=4 801 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,1,0,0,0,0|2,0,1]=4 802 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,1,0,0,0,0|2,0,1]=4 803 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,1,0,0,0,0|2,0,1]=4 804 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,1,0,0,0,0|2,0,1]=4 805 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,1,0,0,0,0|2,0,1]=4 806 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,1,0,0,0,0|1,0,2]=4 807 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,1,0,0,0,0|2,0,1]=4 808 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,1,0,0,0,0|2,0,1]=4 809 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,1,0,0,0,0|1,1,1]=4 810 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,1,0,0,0,0|1,1,1]=4 811 B7R0.1 [13CH3]NCCCN=[N+]=[N-] 2230a_100000744732_200025704644 [0,1,0,0,0,0|2,0,0]=3 812 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,1,0,0,0,0|2,0,1]=4 813 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,1,0,0,0,0|2,0,1]=4 814 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,1,0,0,0,0|2,0,1]=4 815 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,1,0,0,0,0|2,0,1]=4 816 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,1,0,0,0,0|2,0,1]=4 817 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,1,0,0,0,0|2,0,1]=4 818 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,1,0,0,0,0|2,0,1]=4 819 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [0,1,0,0,0,0|2,0,1]=4 820 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [0,1,0,0,0,0|2,0,1]=4 821 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,1,0,0,0,0|1,1,1]=4 822 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,1,0,0,0,0|1,1,1]=4 823 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,1,0,0,0,0|2,0,1]=4 824 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,1,0,0,0,0|2,0,1]=4 825 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,1,0,0,0,0|1,1,1]=4 826 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,1,0,0,0,0|1,1,1]=4 827 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,1,0,0,0,0|2,0,1]=4 828 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|2,0,1]=4 829 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,1,0,0,0,0|2,0,1]=4 830 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,0,0,0,0|3,0,0]=4 831 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,0,0,0,0|3,0,0]=4 832 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,0,0,0,0|3,0,0]=4 833 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,0,0,0,0|3,0,0]=4 834 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,1,0,0,0,0|2,0,1]=4 835 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,1,0,0,0,0|2,0,1]=4 836 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [0,1,0,0,0,0|2,0,1]=4 837 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [0,1,0,0,0,0|2,0,1]=4 838 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|2,0,1]=4 839 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|2,0,1]=4 840 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,0,0,0,0|2,0,1]=4 841 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|1,1,1]=4 842 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,0,0,0,0|3,0,0]=4 843 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,0,0,0,0|3,0,0]=4 844 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,0,0,0,0|3,0,0]=4 845 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,0,0,0,0|3,0,0]=4 846 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,1,0,0,0,0|3,0,0]=4 847 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,1,0,0,0,0|3,0,0]=4 848 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,1,0,0,0,0|3,0,0]=4 849 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,1,0,0,0,0|3,0,0]=4 850 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,1,0,0,0,0|3,0,0]=4 851 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,1,0,0,0,0|3,0,0]=4 852 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,0,0,0,0|3,0,0]=4 853 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,0,0,0,0|3,0,0]=4 854 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,0,0,0,0|3,0,0]=4 855 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,0,0,0,0|3,0,0]=4 856 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,0,0,0,0|3,0,0]=4 857 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,1,0,0,0,0|3,0,0]=4 858 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,1,0,0,0,0|3,0,0]=4 859 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,1,0,0,0,0|3,0,0]=4 860 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,1,0,0,0,0|3,0,0]=4 861 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,1,0,0,0,0|1,0,2]=4 862 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,1,0,0,0,0|1,0,2]=4 863 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,1,0,0,0,0|1,0,2]=4 864 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,1,0,0,0,0|1,0,2]=4 865 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,1,0,0,0,0|1,0,2]=4 866 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,1,0,0,0,0|1,0,2]=4 867 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [0,1,0,0,0,0|1,0,2]=4 868 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,1,0,0,0,0|1,0,2]=4 869 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,1,0,0,0,0|1,0,2]=4 870 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,0,0,0,0|1,0,2]=4 871 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,0,0,0,0|1,0,2]=4 872 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,0,0,0,0|1,0,2]=4 873 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,0,0,0,0|1,0,2]=4 874 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,0,0,0,0|1,0,2]=4 875 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,0,0,0,0|1,0,2]=4 876 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,0,0,0,0|2,0,1]=4 877 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,0,0,0,0|2,0,1]=4 878 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,0,0,0,0|2,0,1]=4 879 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,0,0,0,0|2,0,1]=4 880 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,0,0,0,0|2,0,1]=4 881 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,0,0,0,0|2,0,1]=4 882 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,1,0,0,0,0|2,0,1]=4 883 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,1,0,0,0,0|2,0,1]=4 884 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,0,0,0,0|2,0,1]=4 885 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,0,0,0,0|2,0,1]=4 886 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,1,0,0,0,0|2,0,1]=4 887 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,1,0,0,0,0|2,0,1]=4 888 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,1,0,0,0,0|2,0,1]=4 889 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,1,0,0,0,0|2,0,1]=4 890 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,1,0,0,0,0|2,0,1]=4 891 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,1,0,0,0,0|3,0,0]=4 892 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,1,0,0,0,0|3,0,0]=4 893 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,1,0,0,0,0|3,0,0]=4 894 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,1,0,0,0,0|3,0,0]=4 895 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,1,0,0,0,0|3,0,0]=4 896 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,1,0,0,0,0|3,0,0]=4 897 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,1,0,0,0,0|2,0,1]=4 898 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,1,0,0,0,0|2,0,1]=4 899 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,1,0,0,0,0|2,0,1]=4 900 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,1,0,0,0,0|2,0,1]=4 901 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,0,0,0,0|3,0,0]=4 902 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,0,0,0,0|3,0,0]=4 903 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,1,0,0,0,0|2,0,1]=4 904 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,1,0,0,0,0|2,0,1]=4 905 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [0,1,0,0,0,0|2,0,1]=4 906 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,0,0,0,0|1,1,1]=4 907 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,0,0,0,0|1,1,1]=4 908 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,0,0,0,0|1,1,1]=4 909 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,1,0,0,0,0|3,0,0]=4 910 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,1,0,0,0,0|3,0,0]=4 911 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,1,0,0,0,0|3,0,0]=4 912 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,1,0,0,0,0|3,0,0]=4 913 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,1,0,0,0,0|3,0,0]=4 914 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,1,0,0,0,0|3,0,0]=4 915 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,0,0,0,0|0,1,2]=4 916 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,0,0,0,0|0,1,2]=4 917 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,0,0,0,0|0,1,2]=4 918 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,0,0,0,0|0,1,2]=4 919 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,1,0,0,0,0|1,0,2]=4 920 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,1,0,0,0,0|1,0,2]=4 921 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,1,0,0,0,0|1,0,2]=4 922 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,1,0,0,0,0|1,0,2]=4 923 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,1,0,0,0,0|2,0,1]=4 924 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,1,0,0,0,0|2,0,1]=4 925 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,1,0,0,0,0|2,0,1]=4 926 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,1,0,0,0,0|2,0,1]=4 927 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,1,0,0,0,0|2,0,1]=4 928 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,1,0,0,0,0|1,0,2]=4 929 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,1,0,0,0,0|1,0,2]=4 930 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,1,0,0,0,0|1,0,2]=4 931 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,1,0,0,0,0|1,0,2]=4 932 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,1,0,0,0,0|2,0,1]=4 933 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,1,0,0,0,0|2,0,1]=4 934 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,1,0,0,0,0|2,0,1]=4 935 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,1,0,0,0,0|2,0,1]=4 936 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,1,0,0,0,0|2,0,1]=4 937 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,1,0,0,0,0|2,0,1]=4 938 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,1,0,0,0,0|2,0,1]=4 939 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,1,0,0,0,0|2,0,1]=4 940 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,1,0,0,0,0|2,0,1]=4 941 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,1,0,0,0,0|2,0,1]=4 942 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,1,0,0,0,0|3,0,0]=4 943 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,1,0,0,0,0|3,0,0]=4 944 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,1,0,0,0,0|3,0,0]=4 945 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,1,0,0,0,0|3,0,0]=4 946 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,1,0,0,0,0|3,0,0]=4 947 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,0,0,0,0|3,0,0]=4 948 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,0,0,0,0|3,0,0]=4 949 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,0,0,0,0|3,0,0]=4 950 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,1,0,0,0,0|3,0,0]=4 951 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,1,0,0,0,0|3,0,0]=4 952 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,1,0,0,0,0|3,0,0]=4 953 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,0,0,0,0|3,0,0]=4 954 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,1,0,0,0,0|3,0,0]=4 955 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,1,0,0,0,0|3,0,0]=4 956 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,0,0,0,0|3,0,0]=4 957 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,0,0,0,0|3,0,0]=4 958 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [0,1,0,0,0,0|2,0,1]=4 959 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,1,0,0,0,0|2,0,1]=4 960 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,0,0,0,0|3,0,0]=4 961 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,0,0,0,0|3,0,0]=4 962 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,0,0,0,0|3,0,0]=4 963 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,0,0,0,0|3,0,0]=4 964 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,0,0,0,0|3,0,0]=4 965 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,0,0,0,0|3,0,0]=4 966 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,0,0,0,0|3,0,0]=4 967 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,0,0,0,0|3,0,0]=4 968 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,0,0,0,0|3,0,0]=4 969 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,0,0,0,0|3,0,0]=4 970 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,0,0,0,0|3,0,0]=4 971 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,0,0,0,0|3,0,0]=4 972 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,0,0,0,0|3,0,0]=4 973 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,0,0,0,0|1,0,2]=4 974 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,0,0,0,0|1,0,2]=4 975 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,0,0,0,0|1,0,2]=4 976 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,0,0,0,0|2,0,1]=4 977 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,0,0,0,0|2,0,1]=4 978 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,0,0,0,0|2,0,1]=4 979 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,0,0,0,0|2,0,1]=4 980 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,0,0,0,0|2,0,1]=4 981 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,0,0,0,0|2,0,1]=4 982 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,0,0,0,0|2,0,1]=4 983 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,1,0,0,0,0|2,0,1]=4 984 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,1,0,0,0,0|2,0,1]=4 985 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,0,0,0,0|3,0,0]=4 986 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|3,0,0]=4 987 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,0,0,1,0,0|1,0,2]=4 988 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,0,0,1,0,0|1,0,2]=4 989 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,0,0,1,0,0|3,0,0]=4 990 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,0,0,1,0,0|3,0,0]=4 991 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,0,0,1,0,0|3,0,0]=4 992 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,0,0,1,0,0|3,0,0]=4 993 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,0,0,1,0,0|3,0,0]=4 994 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,0,0,1,0,0|3,0,0]=4 995 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,0,0,1,0,0|3,0,0]=4 996 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,0,0,1,0,0|3,0,0]=4 997 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,0,0,1,0,0|3,0,0]=4 998 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,0,0,1,0,0|3,0,0]=4 999 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,0,0,1,0,0|3,0,0]=4 1000 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,0,0,1,0,0|1,0,2]=4 1001 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,0,0,1,0,0|3,0,0]=4 1002 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,0,0,1,0,0|3,0,0]=4 1003 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,0,0,1,0,0|3,0,0]=4 1004 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,0,0,1,0,0|3,0,0]=4 1005 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,0,0,1,0,0|3,0,0]=4 1006 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,0,0,1,0,0|3,0,0]=4 1007 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 1008 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 1009 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 1010 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 1011 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 1012 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 1013 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 1014 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 1015 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 1016 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 1017 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,0,0,1,0,0|3,0,0]=4 1018 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,0,0,1,0,0|3,0,0]=4 1019 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,0,0,1,0,0|3,0,0]=4 1020 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,0,0,1,0,0|3,0,0]=4 1021 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,0,0,1,0,0|1,0,2]=4 1022 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,0,0,1,0,0|1,0,2]=4 1023 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,0,0,1,0,0|1,0,2]=4 1024 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,0,0,1,0,0|2,0,1]=4 1025 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,0,0,1,0,0|2,0,1]=4 1026 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,0,0,1,0,0|2,0,1]=4 1027 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,0,0,1,0,0|3,0,0]=4 1028 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,0,0,1,0,0|3,0,0]=4 1029 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,0,0,1,0,0|3,0,0]=4 1030 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,0,0,1,0,0|3,0,0]=4 1031 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,0,0,1,0,0|3,0,0]=4 1032 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,0,0,1,0,0|3,0,0]=4 1033 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,0,0,1,0,0|3,0,0]=4 1034 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,0,0,1,0,0|3,0,0]=4 1035 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,0,0,1,0,0|3,0,0]=4 1036 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,0,0,1,0,0|3,0,0]=4 1037 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,0,0,1,0,0|1,0,2]=4 1038 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,0,0,1,0,0|2,0,1]=4 1039 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,0,0,1,0,0|2,0,1]=4 1040 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,0,0,1,0,0|3,0,0]=4 1041 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,0,0,1,0,0|3,0,0]=4 1042 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,0,0,1,0,0|3,0,0]=4 1043 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,0,0,1,0,0|3,0,0]=4 1044 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,0,0,1,0,0|3,0,0]=4 1045 B7R1.7 CC=NNC1CC1 4a_100000701032_200000210099 [0,0,0,1,0,0|2,0,1]=4 1046 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [0,0,0,1,0,0|1,0,2]=4 1047 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [0,0,0,1,0,0|1,0,2]=4 1048 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [0,0,0,1,0,0|1,0,2]=4 1049 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [0,0,0,1,0,0|1,0,2]=4 1050 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [0,0,0,1,0,0|2,0,1]=4 1051 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [0,0,0,1,0,0|2,0,1]=4 1052 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [0,0,0,1,0,0|2,0,1]=4 1053 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [0,0,0,1,0,0|2,0,1]=4 1054 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [0,0,0,1,0,0|3,0,0]=4 1055 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [0,0,0,1,0,0|3,0,0]=4 1056 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [0,0,0,1,0,0|3,0,0]=4 1057 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [0,0,0,1,0,0|3,0,0]=4 1058 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,0,0,1,0,0|3,0,0]=4 1059 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,0,0,1,0,0|3,0,0]=4 1060 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,0,0,1,0,0|3,0,0]=4 1061 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,0,0,1,0,0|3,0,0]=4 1062 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,0,0,1,0,0|3,0,0]=4 1063 B7R1.7 FCNCC1CC1 34a_100000735609_100015361967 [0,0,0,1,0,0|1,0,2]=4 1064 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [0,0,0,1,0,0|2,0,1]=4 1065 B7R1.7 FCSCC1CC1 62a_100000756562_100015361967 [0,0,0,1,0,0|2,0,1]=4 1066 B7R1.7 FCSCC1CC1 62a_100015361967_100000742324 [0,0,0,1,0,0|2,0,1]=4 1067 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [0,0,0,1,0,0|3,0,0]=4 1068 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,0,0,1,0,0|3,0,0]=4 1069 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,0,0,1,0,0|3,0,0]=4 1070 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,0,0,1,0,0|3,0,0]=4 1071 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,0,0,1,0,0|3,0,0]=4 1072 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,0,0,1,0,0|1,0,2]=4 1073 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,0,0,1,0,0|1,0,2]=4 1074 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,0,1,0,0|1,0,2]=4 1075 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,0,1,0,0|1,0,2]=4 1076 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|0,0,2]=4 1077 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|0,0,2]=4 1078 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|0,0,2]=4 1079 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,1]=4 1080 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,1]=4 1081 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,1]=4 1082 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,1]=4 1083 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,1]=4 1084 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,1]=4 1085 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,1]=4 1086 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,1]=4 1087 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,1]=4 1088 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|2,0,0]=4 1089 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,1]=4 1090 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|2,0,0]=4 1091 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|2,0,0]=4 1092 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1093 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 1094 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 1095 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 1096 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,1,0]=4 1097 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,1,0]=4 1098 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,1,0]=4 1099 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,1,0]=4 1100 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,1,0]=4 1101 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 1102 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|2,0,0]=4 1103 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|1,0,1]=4 1104 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,1,0]=4 1105 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|2,0,0]=4 1106 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|2,0,0]=4 1107 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,1,0]=4 1108 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,1,0]=4 1109 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 1110 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,1,0]=4 1111 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,1,0]=4 1112 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 1113 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|1,0,1]=4 1114 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|2,0,0]=4 1115 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|2,0,0]=4 1116 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,1,0]=4 1117 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,1,0]=4 1118 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,1,0,0,0,0|0,0,2]=4 1119 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,1,0,0,0,0|0,0,2]=4 1120 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,1,0,0,0,0|0,0,2]=4 1121 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,1,0,0,0,0|0,0,2]=4 1122 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,1,0,0,0,0|0,0,2]=4 1123 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,1,0,0,0,0|0,0,2]=4 1124 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,1,0,0,0,0|1,0,1]=4 1125 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1126 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,1,0,0,0,0|1,0,1]=4 1127 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1128 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,1,0,0,0,0|1,0,1]=4 1129 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,1,0,0,0,0|0,0,2]=4 1130 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,1,0,0,0,0|0,0,2]=4 1131 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,1,0,0,0,0|0,0,2]=4 1132 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,1,0,0,0,0|0,0,2]=4 1133 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,1,0,0,0,0|0,0,2]=4 1134 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,1,0,0,0,0|1,0,1]=4 1135 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,1,0,0,0,0|1,0,1]=4 1136 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,1,0,0,0,0|1,0,1]=4 1137 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,1,0,0,0,0|1,0,1]=4 1138 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,1,0,0,0,0|1,0,1]=4 1139 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,1,0,0,0,0|0,0,2]=4 1140 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,1,0,0,0,0|0,0,2]=4 1141 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,1,0,0,0,0|0,0,2]=4 1142 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,1,0,0,0,0|0,0,2]=4 1143 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,1,0,0,0,0|0,0,2]=4 1144 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,1,0,0,0,0|0,0,2]=4 1145 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 1146 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,0,1]=4 1147 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 1148 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 1149 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 1150 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,1,0,0,0,0|1,0,1]=4 1151 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,1,0,0,0,0|1,0,1]=4 1152 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,1,0,0,0,0|1,0,1]=4 1153 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,1,0,0,0,0|1,0,1]=4 1154 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,1,0,0,0,0|0,0,2]=4 1155 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,1,0,0,0,0|0,0,2]=4 1156 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,1,0,0,0,0|0,0,2]=4 1157 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,1,0,0,0,0|1,0,1]=4 1158 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,1,0,0,0,0|1,0,1]=4 1159 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,1,0,0,0,0|1,0,1]=4 1160 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,1,0,0,0,0|1,0,1]=4 1161 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,1,0,0,0,0|1,0,1]=4 1162 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,1,0,0,0,0|1,0,1]=4 1163 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,1,0,0,0,0|1,0,1]=4 1164 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,1,0,0,0,0|1,0,1]=4 1165 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,1,0,0,0,0|1,0,1]=4 1166 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,1,0,0,0,0|1,0,1]=4 1167 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,1,0,0,0,0|1,0,1]=4 1168 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,1,0,0,0,0|1,0,1]=4 1169 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|0,0,2]=4 1170 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|1,0,1]=4 1171 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|1,0,1]=4 1172 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,1,1]=4 1173 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,1,1]=4 1174 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,1,1]=4 1175 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,1,0,0,0,0|0,0,2]=4 1176 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,1,0,0,0,0|0,0,2]=4 1177 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,1,0,0,0,0|0,0,2]=4 1178 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,1,0,0,0,0|0,0,2]=4 1179 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,1,0,0,0,0|0,0,2]=4 1180 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,1,0,0,0,0|0,0,2]=4 1181 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,1,0,0,0,0|0,0,2]=4 1182 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,1,0,0,0,0|0,0,2]=4 1183 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,1,0,0,0,0|0,0,2]=4 1184 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,1,0,0,0,0|0,0,2]=4 1185 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|0,0,2]=4 1186 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|0,0,2]=4 1187 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|0,0,2]=4 1188 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|0,0,2]=4 1189 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,1,0,0,0,0|1,0,1]=4 1190 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,1,0,0,0,0|1,0,1]=4 1191 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,1,0,0,0,0|1,0,1]=4 1192 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,1,0,0,0,0|1,0,1]=4 1193 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|1,0,1]=4 1194 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,1]=4 1195 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,1,0,0,0,0|1,0,1]=4 1196 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,1,0,0,0,0|1,0,1]=4 1197 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|1,0,1]=4 1198 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|1,0,1]=4 1199 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,1]=4 1200 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [0,2,0,0,0,0|2,0,0]=4 1201 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,2,0,0,0,0|1,0,1]=4 1202 B8R0.4 CC=NNCCOCC 4a_100000732670_200000210099 [0,2,0,0,0,0|1,0,1]=4 1203 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [0,2,0,0,0,0|1,0,1]=4 1204 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [0,2,0,0,0,0|1,0,1]=4 1205 B8R0.4 CCNCCCN=[N+]=[N-] 2230a_100000744732_100000210202 [0,2,0,0,0,0|2,0,0]=4 1206 B8R0.4 CNCCCCN=[N+]=[N-] 2230a_100000101370_200000210301 [0,2,0,0,0,0|2,0,0]=4 1207 B8R0.4 [13CH3]NCCCCN=[N+]=[N-] 2230a_100000101370_200025704644 [0,2,0,0,0,0|2,0,0]=4 1208 B8R0.6 CC=NNCC(O)CC 4a_100015206393_200000210099 [0,2,0,0,0,0|1,0,1]=4 1209 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,2,0,0,0,0|2,0,0]=4 1210 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,2,0,0,0,0|2,0,0]=4 1211 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,2,0,0,0,0|1,0,1]=4 1212 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,2,0,0,0,0|1,0,1]=4 1213 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,2,0,0,0,0|1,0,1]=4 1214 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,2,0,0,0,0|1,0,1]=4 1215 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,2,0,0,0,0|1,0,1]=4 1216 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,2,0,0,0,0|1,0,1]=4 1217 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,2,0,0,0,0|1,0,1]=4 1218 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,2,0,0,0,0|1,0,1]=4 1219 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,2,0,0,0,0|2,0,0]=4 1220 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,1,0,0|0,0,2]=4 1221 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,1,0,0|0,0,2]=4 1222 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,1,0,0|0,0,2]=4 1223 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,1,0,0|0,0,2]=4 1224 B6R1.3 CNCC1CC1 2230a_100000735609_200000210301 [1,0,0,1,0,0|0,0,2]=4 1225 B6R1.3 CNCC1CC1 2230a_106832991635_100000742324 [1,0,0,1,0,0|0,0,2]=4 1226 B6R1.3 CNCC1CC1 269862a_106832991636_100000741477 [1,0,0,1,0,0|0,0,2]=4 1227 B6R1.3 CNCC1CC1 34a_100000735609_200000210301 [1,0,0,1,0,0|0,0,2]=4 1228 B6R1.3 CNCC1CC1 34a_100102657272_100000742324 [1,0,0,1,0,0|0,0,2]=4 1229 B6R1.3 CNCC1CC1 7a_106832991635_100000742324 [1,0,0,1,0,0|0,0,2]=4 1230 B6R1.3 COCC1CC1 34a_100000211283_200000210301 [1,0,0,1,0,0|1,0,1]=4 1231 B6R1.3 COCC1CC1 34a_100138415774_100000742324 [1,0,0,1,0,0|1,0,1]=4 1232 B6R1.3 CSCC1CC1 62a_100000756562_200000210301 [1,0,0,1,0,0|1,0,1]=4 1233 B6R1.3 CSCC1CC1 62a_200000210301_100000742324 [1,0,0,1,0,0|1,0,1]=4 1234 B6R1.3 [13CH3]NCC1CC1 2230a_100000735609_200025704644 [1,0,0,1,0,0|0,0,2]=4 1235 B6R1.3 [13CH3]NCC1CC1 34a_100000735609_200025704644 [1,0,0,1,0,0|0,0,2]=4 1236 B6R1.3 [13CH3]OCC1CC1 34a_100000211283_200025704644 [1,0,0,1,0,0|1,0,1]=4 1237 B6R1.3 [13CH3]SCC1CC1 62a_100000756562_200025704644 [1,0,0,1,0,0|1,0,1]=4 1238 B6R1.3 [13CH3]SCC1CC1 62a_200025704644_100000742324 [1,0,0,1,0,0|1,0,1]=4 1239 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|0,0,2]=4 1240 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|0,0,2]=4 1241 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|0,0,2]=4 1242 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|0,0,2]=4 1243 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|0,0,2]=4 1244 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|0,0,2]=4 1245 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|0,0,2]=4 1246 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|0,0,2]=4 1247 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|1,0,1]=4 1248 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|1,0,1]=4 1249 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|1,0,1]=4 1250 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|0,0,2]=4 1251 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|0,0,2]=4 1252 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|1,0,1]=4 1253 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|1,0,1]=4 1254 B8R1.10 CC=NNC1CCC1 4a_100000736358_200000210099 [0,1,0,1,0,0|1,0,1]=4 1255 B8R1.36 CC=NNCC1CC1 4a_100000736359_200000210099 [0,1,0,1,0,0|1,0,1]=4