0 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [0,0,0,0,0,0|2,1,1]=4 4 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [0,0,0,0,0,0|2,1,1]=4 5 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [0,0,0,0,0,0|2,1,1]=4 6 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [0,0,0,0,0,0|2,1,1]=4 7 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [0,0,0,0,0,0|2,1,1]=4 8 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [0,0,0,0,0,0|2,0,1]=3 11 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.71 C#CCCCCCOCSC 34a_100000766912_100011218213 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.71 C#CCCCCCSCSC 62a_100011218213_100012094781 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.71 C#CCCCCCSCSC 62a_100012094781_100011218213 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.71 C#CCCCCNCCSC 2230a_100000706060_100000751147 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.71 C#CCCCCNCCSC 2230a_100020590264_100010269958 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.71 C#CCCCCNCCSC 34a_100000706060_100000212216 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.71 C#CCCCCOCCSC 34a_100000230434_100010269958 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.71 C#CCCCCOCCSC 34a_100000766709_100000212216 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.71 C#CCCCCOCCSC 7a_100000230434_100010269958 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.71 C#CCCCCOCCSC 7a_100000766709_100000212216 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.71 C#CCCCCSCCSC 62a_100000212216_100010269958 [0,0,0,0,0,0|3,0,1]=4 23 B10R0.71 C#CCCCCSCCSC 62a_100010269958_100000751147 [0,0,0,0,0,0|3,0,1]=4 24 B10R0.71 C#CCCCNCCCSC 2230a_100000749238_100000731252 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.71 C#CCCCOCCCSC 34a_100000690336_100000695029 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.71 C#CCCCOCCCSC 7a_100000690336_100011215417 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.71 C#CCCOCCCCSC 34a_100011217163_100000688953 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.71 C#CCCOCCCCSC 7a_100011217163_100000688953 [0,0,0,0,0,0|3,0,1]=4 29 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [0,0,0,0,0,0|3,0,1]=4 31 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [0,0,0,0,0,0|3,0,1]=4 32 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [0,0,0,0,0,0|3,0,1]=4 34 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,0,0,0,0,0|2,1,1]=4 35 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,0,0,0,0,0|2,1,1]=4 36 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,0,0,0,0,0|2,1,1]=4 37 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,0,0,0,0,0|2,1,1]=4 38 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,0,0,0,0,0|2,1,1]=4 39 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [0,0,0,0,0,0|2,0,1]=3 40 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [0,0,0,0,0,0|2,0,1]=3 41 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [0,0,0,0,0,0|2,0,1]=3 42 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [0,0,0,0,0,0|2,0,1]=3 43 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [0,0,0,0,0,0|3,0,1]=4 44 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [0,0,0,0,0,0|3,0,1]=4 46 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [0,0,0,0,0,0|3,0,1]=4 47 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [0,0,0,0,0,0|3,0,1]=4 48 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [0,0,0,0,0,0|3,0,1]=4 49 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,0,0,0,0,0|3,0,1]=4 51 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,0,0,0,0,0|3,0,1]=4 52 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,0,0,0,0,0|3,0,1]=4 53 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [0,0,0,0,0,0|3,0,1]=4 55 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [0,0,0,0,0,0|3,0,1]=4 57 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [0,0,0,0,0,0|3,0,1]=4 58 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [0,0,0,0,0,0|3,0,1]=4 59 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [0,0,0,0,0,0|3,0,1]=4 61 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [0,0,0,0,0,0|3,0,1]=4 62 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [0,0,0,0,0,0|3,0,1]=4 63 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [0,0,0,0,0,0|3,0,1]=4 64 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [0,0,0,0,0,0|3,0,1]=4 66 B10R0.71 CC#CCOCCCCSC 34a_100011217163_100000748600 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.71 CC#CCOCCCCSC 7a_100011217163_100000748600 [0,0,0,0,0,0|3,0,1]=4 68 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [0,0,0,0,0,0|3,0,1]=4 69 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [0,0,0,0,0,0|3,0,1]=4 71 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [0,0,0,0,0,0|3,0,1]=4 72 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [0,0,0,0,0,0|3,0,1]=4 73 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [0,0,0,0,0,0|3,0,1]=4 74 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [0,0,0,0,0,0|3,0,1]=4 75 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [0,0,0,0,0,0|3,0,1]=4 76 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [0,0,0,0,0,0|3,0,1]=4 77 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [0,0,0,0,0,0|3,0,1]=4 78 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,0,0,0,0,0|2,1,1]=4 79 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,0,0,0,0,0|2,1,1]=4 80 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,0,0,0,0,0|2,1,1]=4 81 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,0,0,0,0,0|2,1,1]=4 82 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,0,0,0,0,0|2,1,1]=4 83 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [0,0,0,0,0,0|2,0,1]=3 84 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [0,0,0,0,0,0|2,0,1]=3 85 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [0,0,0,0,0,0|2,0,2]=4 86 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [0,0,0,0,0,0|2,0,2]=4 87 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [0,0,0,0,0,0|2,0,2]=4 88 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,0,0,0,0,0|3,0,1]=4 90 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,0,0,0,0,0|3,0,1]=4 94 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [0,0,0,0,0,0|3,0,1]=4 95 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [0,0,0,0,0,0|3,0,1]=4 96 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [0,0,0,0,0,0|3,0,1]=4 97 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [0,0,0,0,0,0|3,0,1]=4 98 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [0,0,0,0,0,0|3,0,1]=4 99 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [0,0,0,0,0,0|3,0,1]=4 100 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [0,0,0,0,0,0|3,0,1]=4 101 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [0,0,0,0,0,0|3,0,1]=4 102 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [0,0,0,0,0,0|3,0,1]=4 103 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [0,0,0,0,0,0|3,0,1]=4 104 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,0,0,0,0,0|3,0,1]=4 105 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,0,0,0,0,0|3,0,1]=4 106 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,0,0,0,0,0|3,0,1]=4 107 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,0,0,0,0,0|3,0,1]=4 108 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [0,0,0,0,0,0|3,0,1]=4 109 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [0,0,0,0,0,0|3,0,1]=4 110 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [0,0,0,0,0,0|3,0,1]=4 111 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [0,0,0,0,0,0|3,0,1]=4 112 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [0,0,0,0,0,0|3,0,1]=4 113 B10R0.71 CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210211 [0,0,0,0,0,0|4,0,0]=4 114 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [0,0,0,0,0,0|3,0,1]=4 115 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [0,0,0,0,0,0|3,0,1]=4 116 B10R0.71 CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210303 [0,0,0,0,0,0|4,0,0]=4 117 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,0,0,0,0,0|1,1,2]=4 118 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,0,0,0,0,0|2,1,1]=4 119 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,0,0,0,0,0|2,1,1]=4 120 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,0,0,0,0,0|2,1,1]=4 121 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [0,0,0,0,0,0|3,0,1]=4 122 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [0,0,0,0,0,0|3,0,1]=4 123 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [0,0,0,0,0,0|3,0,1]=4 124 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [0,0,0,0,0,0|3,0,1]=4 125 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [0,0,0,0,0,0|3,0,1]=4 126 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [0,0,0,0,0,0|3,0,1]=4 127 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [0,0,0,0,0,0|3,0,1]=4 128 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [0,0,0,0,0,0|3,0,1]=4 129 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [0,0,0,0,0,0|3,0,1]=4 130 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [0,0,0,0,0,0|3,0,1]=4 131 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [0,0,0,0,0,0|3,0,1]=4 132 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [0,0,0,0,0,0|3,0,1]=4 133 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,0,0,0,0,0|2,1,1]=4 134 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,0,0,0,0,0|2,1,1]=4 135 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [0,0,0,0,0,0|3,0,1]=4 136 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [0,0,0,0,0,0|3,0,1]=4 137 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [0,0,0,0,0,0|3,0,1]=4 138 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [0,0,0,0,0,0|3,0,1]=4 139 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [0,0,0,0,0,0|3,0,1]=4 140 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,0,0,0,0,0|2,1,1]=4 141 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,0,0,0,0,0|2,1,1]=4 142 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,0,0,0,0,0|2,1,1]=4 143 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,0,0,0,0,0|2,1,1]=4 144 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,0,0,0,0,0|2,1,1]=4 145 B10R0.71 CNCCCCCCN=[N+]=[N-] 2230a_200000049180_200000210301 [0,0,0,0,0,0|3,0,0]=3 146 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [0,0,0,0,0,0|4,0,0]=4 147 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,0,0,0,0,0|2,1,1]=4 148 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,0,0,0,0,0|2,1,1]=4 149 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,0,0,0,0,0|2,1,1]=4 150 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,0,0,0,0,0|2,1,1]=4 151 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,0,0,0,0,0|2,1,1]=4 152 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,0,0,0,0,0|1,2,1]=4 153 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [0,0,0,0,0,0|2,1,1]=4 154 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [0,0,0,0,0,0|2,1,1]=4 155 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [0,0,0,0,0,0|2,1,1]=4 156 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [0,0,0,0,0,0|2,1,1]=4 157 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [0,0,0,0,0,0|4,0,0]=4 158 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [0,0,0,0,0,0|4,0,0]=4 159 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [0,0,0,0,0,0|4,0,0]=4 160 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [0,0,0,0,0,0|4,0,0]=4 161 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [0,0,0,0,0,0|4,0,0]=4 162 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [0,0,0,0,0,0|4,0,0]=4 163 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [0,0,0,0,0,0|4,0,0]=4 164 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [0,0,0,0,0,0|4,0,0]=4 165 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [0,0,0,0,0,0|4,0,0]=4 166 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [0,0,0,0,0,0|4,0,0]=4 167 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [0,0,0,0,0,0|4,0,0]=4 168 B10R0.71 COCCNCCCN=[N+]=[N-] 2230a_100000744732_100011201679 [0,0,0,0,0,0|3,1,0]=4 169 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,0,0,0,0,0|4,0,0]=4 170 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,0,0,0,0,0|4,0,0]=4 171 B10R0.71 COCNCCCCN=[N+]=[N-] 2230a_100000101370_100000766300 [0,0,0,0,0,0|3,1,0]=4 172 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,0,0,0,0,0|1,1,1]=3 173 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,0,0,0,0,0|1,1,1]=3 174 B10R0.71 CSCCCCOCCC#N 7a_100011217163_100000184422 [0,0,0,0,0,0|3,0,1]=4 175 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [0,0,0,0,0,0|3,0,1]=4 176 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [0,0,0,0,0,0|3,0,1]=4 177 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,0,0,0,0,0|2,1,1]=4 178 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,0,0,0,0,0|2,1,1]=4 179 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [0,0,0,0,0,0|4,0,0]=4 180 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [0,0,0,0,0,0|4,0,0]=4 181 B10R0.71 CSCCCNCCCC#N 2230a_100000749238_100000687738 [0,0,0,0,0,0|3,0,1]=4 182 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,0,0,0,0,0|2,1,1]=4 183 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [0,0,0,0,0,0|3,0,1]=4 184 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [0,0,0,0,0,0|2,1,1]=4 185 B10R0.71 CSCCCOCCCC#N 7a_100000690336_100000687738 [0,0,0,0,0,0|3,0,1]=4 186 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,0,0,0,0,0|2,1,1]=4 187 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [0,0,0,0,0,0|3,0,1]=4 188 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [0,0,0,0,0,0|3,0,1]=4 189 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,0,0,0,0,0|2,1,1]=4 190 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,0,0,0,0,0|2,1,1]=4 191 B10R0.71 CSCCNCCCCC#N 2230a_100020590264_100000211819 [0,0,0,0,0,0|3,0,1]=4 192 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,0,0,0,0,0|2,1,1]=4 193 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [0,0,0,0,0,0|3,0,1]=4 194 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,0,0,0,0,0|2,1,1]=4 195 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,0,0,0,0,0|2,1,1]=4 196 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,0,0,0,0,0|2,1,1]=4 197 B10R0.71 CSCCNCCCN=[N+]=[N-] 2230a_100000744732_100000751147 [0,0,0,0,0,0|3,0,0]=3 198 B10R0.71 CSCCOCCCCC#N 7a_100000230434_100000211819 [0,0,0,0,0,0|3,0,1]=4 199 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,0,0,0,0,0|2,1,1]=4 200 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [0,0,0,0,0,0|3,0,1]=4 201 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [0,0,0,0,0,0|3,0,1]=4 202 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [0,0,0,0,0,0|3,0,1]=4 203 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [0,0,0,0,0,0|3,0,1]=4 204 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [0,0,0,0,0,0|3,0,1]=4 205 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [0,0,0,0,0,0|3,0,1]=4 206 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [0,0,0,0,0,0|3,0,1]=4 207 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [0,0,0,0,0,0|3,0,1]=4 208 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [0,0,0,0,0,0|3,0,1]=4 209 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,0,0,0,0,0|2,1,1]=4 210 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,0,0,0,0,0|2,1,1]=4 211 B10R0.71 CSCCSCCCCC#N 62a_100000212216_100000211819 [0,0,0,0,0,0|3,0,1]=4 212 B10R0.71 CSCCSCCCCC#N 62a_100011219923_100000751147 [0,0,0,0,0,0|3,0,1]=4 213 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,0,0,0,0,0|2,1,1]=4 214 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,0,0,0,0,0|2,1,1]=4 215 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [0,0,0,0,0,0|3,0,1]=4 216 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [0,0,0,0,0,0|3,0,1]=4 217 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,0,0,0,0,0|2,1,1]=4 218 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,0,0,0,0,0|2,1,1]=4 219 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,0,0,0,0,0|2,1,1]=4 220 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,0,0,0,0,0|2,1,1]=4 221 B10R0.71 CSCNCCCCN=[N+]=[N-] 2230a_100000101370_100011218213 [0,0,0,0,0,0|3,0,0]=3 222 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [0,0,0,0,0,0|3,0,1]=4 223 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [0,0,0,0,0,0|3,0,1]=4 224 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [0,0,0,0,0,0|3,0,1]=4 225 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [0,0,0,0,0,0|3,0,1]=4 226 B10R0.71 CSCSCCCCCC#N 62a_100009813376_100011218213 [0,0,0,0,0,0|3,0,1]=4 227 B10R0.71 CSCSCCCCCC#N 62a_100011218213_100009813376 [0,0,0,0,0,0|3,0,1]=4 228 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [0,0,0,0,0,0|2,1,1]=4 229 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [0,0,0,0,0,0|2,1,1]=4 230 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [0,0,0,0,0,0|3,0,1]=4 231 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [0,0,0,0,0,0|3,0,1]=4 232 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [0,0,0,0,0,0|2,1,1]=4 233 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [0,0,0,0,0,0|2,1,1]=4 234 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,0,0,0,0,0|2,1,1]=4 235 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,0,0,0,0,0|2,1,1]=4 236 B10R0.71 [13CH3]NCCCCCCN=[N+]=[N-] 2230a_200000049180_200025704644 [0,0,0,0,0,0|3,0,0]=3 237 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,0,0,0,0,0|2,1,1]=4 238 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,0,0,0,0,0|2,1,1]=4 239 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,0,0,0,0,0|2,1,1]=4 240 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,0,0,0,0,0|2,1,1]=4 241 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,0,0,0,0,0|2,1,1]=4 242 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,0,0,0,0,0|1,1,1]=3 243 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,0,0,0,0,0|1,1,1]=3 244 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [1,0,0,0,0,0|2,0,1]=4 245 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [1,0,0,0,0,0|2,0,1]=4 246 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [1,0,0,0,0,0|2,0,1]=4 247 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [1,0,0,0,0,0|1,1,1]=4 248 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [1,0,0,0,0,0|1,1,1]=4 249 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [1,0,0,0,0,0|1,1,1]=4 250 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [1,0,0,0,0,0|1,1,1]=4 251 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [1,0,0,0,0,0|1,1,1]=4 252 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [1,0,0,0,0,0|1,0,1]=3 253 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [1,0,0,0,0,0|1,0,1]=3 254 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [1,0,0,0,0,0|1,0,1]=3 255 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [1,0,0,0,0,0|1,0,1]=3 256 B9R0.45 C#CCCCCNCSC 2230a_100000706060_100011218213 [1,0,0,0,0,0|2,0,1]=4 257 B9R0.45 C#CCCCCNCSC 34a_100000706060_100011218213 [1,0,0,0,0,0|2,0,1]=4 258 B9R0.45 C#CCCCCOCSC 34a_100000766709_100011218213 [1,0,0,0,0,0|2,0,1]=4 259 B9R0.45 C#CCCCCSCSC 62a_100010269958_100011218213 [1,0,0,0,0,0|2,0,1]=4 260 B9R0.45 C#CCCCCSCSC 62a_100011218213_100010269958 [1,0,0,0,0,0|2,0,1]=4 261 B9R0.45 C#CCCCNCCSC 2230a_100020590264_100000731252 [1,0,0,0,0,0|2,0,1]=4 262 B9R0.45 C#CCCCNCCSC 34a_100000718082_100000212216 [1,0,0,0,0,0|2,0,1]=4 263 B9R0.45 C#CCCCOCCSC 34a_100000215630_100000212216 [1,0,0,0,0,0|2,0,1]=4 264 B9R0.45 C#CCCCOCCSC 34a_100000230434_100000695029 [1,0,0,0,0,0|2,0,1]=4 265 B9R0.45 C#CCCCOCCSC 7a_100000215630_100000212216 [1,0,0,0,0,0|2,0,1]=4 266 B9R0.45 C#CCCCOCCSC 7a_100000230434_100011215417 [1,0,0,0,0,0|2,0,1]=4 267 B9R0.45 C#CCCCSCCSC 62a_100000212216_100011215417 [1,0,0,0,0,0|2,0,1]=4 268 B9R0.45 C#CCCCSCCSC 62a_100011215417_100000751147 [1,0,0,0,0,0|2,0,1]=4 269 B9R0.45 C#CCCNCCCSC 2230a_100000749238_100000688953 [1,0,0,0,0,0|2,0,1]=4 270 B9R0.45 C#CCCOCCCSC 34a_100000690336_100000688953 [1,0,0,0,0,0|2,0,1]=4 271 B9R0.45 C#CCCOCCCSC 7a_100000690336_100000688953 [1,0,0,0,0,0|2,0,1]=4 272 B9R0.45 C#CCOCCCCSC 34a_100011217163_100000184674 [1,0,0,0,0,0|2,0,1]=4 273 B9R0.45 C#CCOCCCCSC 7a_100011217163_100000038162 [1,0,0,0,0,0|2,0,1]=4 274 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,0,0,0,0,0|2,0,1]=4 275 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,0,0,0,0,0|2,0,1]=4 276 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,0,0,0,0,0|2,0,1]=4 277 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,0,0,0,0,0|1,1,1]=4 278 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,0,0,0,0,0|1,1,1]=4 279 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,0,0,0,0,0|1,1,1]=4 280 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,0,0,0,0,0|1,1,1]=4 281 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,0,0,0,0,0|1,1,1]=4 282 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,0,0,0,0,0|1,0,1]=3 283 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,0,0,0,0,0|1,0,1]=3 284 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,0,0,0,0,0|1,0,1]=3 285 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,0,0,0,0,0|1,0,1]=3 286 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [1,0,0,0,0,0|2,0,1]=4 287 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [1,0,0,0,0,0|2,0,1]=4 288 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [1,0,0,0,0,0|2,0,1]=4 289 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [1,0,0,0,0,0|2,0,1]=4 290 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [1,0,0,0,0,0|2,0,1]=4 291 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [1,0,0,0,0,0|2,0,1]=4 292 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [1,0,0,0,0,0|2,0,1]=4 293 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [1,0,0,0,0,0|2,0,1]=4 294 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [1,0,0,0,0,0|2,0,1]=4 295 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [1,0,0,0,0,0|2,0,1]=4 296 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [1,0,0,0,0,0|2,0,1]=4 297 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [1,0,0,0,0,0|2,0,1]=4 298 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [1,0,0,0,0,0|2,0,1]=4 299 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [1,0,0,0,0,0|2,0,1]=4 300 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [1,0,0,0,0,0|2,0,1]=4 301 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [1,0,0,0,0,0|2,0,1]=4 302 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [1,0,0,0,0,0|2,0,1]=4 303 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [1,0,0,0,0,0|2,0,1]=4 304 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [1,0,0,0,0,0|2,0,1]=4 305 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|1,0,2]=4 306 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|1,0,2]=4 307 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|1,0,2]=4 308 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|1,0,2]=4 309 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|1,0,2]=4 310 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|1,0,2]=4 311 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|1,0,2]=4 312 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|1,1,1]=4 313 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|1,1,1]=4 314 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|1,1,1]=4 315 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|1,1,1]=4 316 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|1,1,1]=4 317 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|1,0,1]=3 318 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|1,0,1]=3 319 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|1,0,1]=3 320 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|1,0,1]=3 321 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|1,0,2]=4 322 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|1,0,2]=4 323 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|2,0,1]=4 324 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|2,0,1]=4 325 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|2,0,1]=4 326 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|2,0,1]=4 327 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|2,0,1]=4 328 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|2,0,1]=4 329 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|2,0,1]=4 330 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|2,0,1]=4 331 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|2,0,1]=4 332 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|2,0,1]=4 333 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|2,0,1]=4 334 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|2,0,1]=4 335 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|2,0,1]=4 336 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|2,0,1]=4 337 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|2,0,1]=4 338 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|2,0,1]=4 339 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|2,0,1]=4 340 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|2,0,1]=4 341 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|2,0,1]=4 342 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|2,0,1]=4 343 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|2,0,1]=4 344 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|2,0,1]=4 345 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|2,0,1]=4 346 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|2,0,1]=4 347 B9R0.45 CCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210303 [1,0,0,0,0,0|3,0,0]=4 348 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|2,0,1]=4 349 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|2,0,1]=4 350 B9R0.45 CCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210202 [1,0,0,0,0,0|3,0,0]=4 351 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 352 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 353 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,0,0,0,0|1,1,1]=4 354 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,0,0,0,0|1,1,1]=4 355 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,0,0,0,0|1,1,1]=4 356 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,0,0,0,0|1,1,1]=4 357 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,0,0,0,0|1,1,1]=4 358 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,0,0,0,0,0|0,1,2]=4 359 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,0,0,0,0,0|0,1,2]=4 360 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,0,0,0,0,0|0,1,2]=4 361 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [1,0,0,0,0,0|1,0,2]=4 362 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,0,0,0,0,0|1,1,1]=4 363 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,0,0,0,0,0|1,1,1]=4 364 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,0,0,0,0,0|1,1,1]=4 365 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,0,0,0,0|0,2,1]=4 366 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,0,0,0,0,0|1,1,1]=4 367 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,0,0,0,0,0|1,1,1]=4 368 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,0,0,0,0,0|1,1,1]=4 369 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,0,0,0,0,0|1,1,1]=4 370 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,0,0,0,0,0|1,1,1]=4 371 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,0,0,0,0,0|1,0,1]=3 372 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,0,0,0,0,0|1,0,1]=3 373 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,0,0,0,0,0|1,0,1]=3 374 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,0,0,0,0,0|1,0,1]=3 375 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [1,0,0,0,0,0|2,0,1]=4 376 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [1,0,0,0,0,0|2,0,1]=4 377 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [1,0,0,0,0,0|2,0,1]=4 378 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [1,0,0,0,0,0|2,0,1]=4 379 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [1,0,0,0,0,0|2,0,1]=4 380 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [1,0,0,0,0,0|2,0,1]=4 381 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [1,0,0,0,0,0|2,0,1]=4 382 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [1,0,0,0,0,0|2,0,1]=4 383 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [1,0,0,0,0,0|2,0,1]=4 384 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [1,0,0,0,0,0|2,0,1]=4 385 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [1,0,0,0,0,0|2,0,1]=4 386 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [1,0,0,0,0,0|2,0,1]=4 387 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [1,0,0,0,0,0|2,0,1]=4 388 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [1,0,0,0,0,0|2,0,1]=4 389 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [1,0,0,0,0,0|2,0,1]=4 390 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [1,0,0,0,0,0|2,0,1]=4 391 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [1,0,0,0,0,0|2,0,1]=4 392 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [1,0,0,0,0,0|1,0,1]=3 393 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [1,0,0,0,0,0|1,0,1]=3 394 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,0,0,0,0|0,1,1]=3 395 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,0,0,0,0|0,1,1]=3 396 B9R0.45 CSCCCCOCC#N 7a_100011217163_100011215382 [1,0,0,0,0,0|2,0,1]=4 397 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,0,0,0,0,0|1,1,1]=4 398 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,0,0,0,0,0|1,1,1]=4 399 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [1,0,0,0,0,0|2,0,1]=4 400 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [1,0,0,0,0,0|2,0,1]=4 401 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,0,0,0,0,0|1,1,1]=4 402 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,0,0,0,0,0|1,1,1]=4 403 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [1,0,0,0,0,0|2,0,1]=4 404 B9R0.45 CSCCCNCCC#N 2230a_100000749238_100011215226 [1,0,0,0,0,0|2,0,1]=4 405 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [1,0,0,0,0,0|2,0,1]=4 406 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [1,0,0,0,0,0|1,1,1]=4 407 B9R0.45 CSCCCNCCSC 2230a_100000749238_100000751147 [1,0,0,0,0,0|2,0,1]=4 408 B9R0.45 CSCCCOCCC#N 7a_100000690336_100000184422 [1,0,0,0,0,0|2,0,1]=4 409 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [1,0,0,0,0,0|2,0,1]=4 410 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [1,0,0,0,0,0|2,0,1]=4 411 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [1,0,0,0,0,0|1,1,1]=4 412 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [1,0,0,0,0,0|1,1,1]=4 413 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [1,0,0,0,0,0|2,0,1]=4 414 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [1,0,0,0,0,0|2,0,1]=4 415 B9R0.45 CSCCNCCCC#N 2230a_100020590264_100000687738 [1,0,0,0,0,0|2,0,1]=4 416 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [1,0,0,0,0,0|1,1,1]=4 417 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [1,0,0,0,0,0|2,0,1]=4 418 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [1,0,0,0,0,0|1,1,1]=4 419 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [1,0,0,0,0,0|1,1,1]=4 420 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [1,0,0,0,0,0|1,1,1]=4 421 B9R0.45 CSCCOCCCC#N 7a_100000230434_100000687738 [1,0,0,0,0,0|2,0,1]=4 422 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [1,0,0,0,0,0|1,1,1]=4 423 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [1,0,0,0,0,0|2,0,1]=4 424 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [1,0,0,0,0,0|2,0,1]=4 425 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [1,0,0,0,0,0|2,0,1]=4 426 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [1,0,0,0,0,0|2,0,1]=4 427 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [1,0,0,0,0,0|2,0,1]=4 428 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [1,0,0,0,0,0|2,0,1]=4 429 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [1,0,0,0,0,0|2,0,1]=4 430 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [1,0,0,0,0,0|2,0,1]=4 431 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [1,0,0,0,0,0|2,0,1]=4 432 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [1,0,0,0,0,0|1,1,1]=4 433 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [1,0,0,0,0,0|1,1,1]=4 434 B9R0.45 CSCCSCCCC#N 62a_100000212216_100000687738 [1,0,0,0,0,0|2,0,1]=4 435 B9R0.45 CSCCSCCCC#N 62a_100000687738_100000751147 [1,0,0,0,0,0|2,0,1]=4 436 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [1,0,0,0,0,0|1,1,1]=4 437 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [1,0,0,0,0,0|1,1,1]=4 438 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [1,0,0,0,0,0|2,0,1]=4 439 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [1,0,0,0,0,0|2,0,1]=4 440 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [1,0,0,0,0,0|1,1,1]=4 441 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [1,0,0,0,0,0|1,1,1]=4 442 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [1,0,0,0,0,0|1,1,1]=4 443 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [1,0,0,0,0,0|1,1,1]=4 444 B9R0.45 CSCNCCCN=[N+]=[N-] 2230a_100000744732_100011218213 [1,0,0,0,0,0|3,0,0]=4 445 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [1,0,0,0,0,0|2,0,1]=4 446 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [1,0,0,0,0,0|2,0,1]=4 447 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [1,0,0,0,0,0|2,0,1]=4 448 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [1,0,0,0,0,0|2,0,1]=4 449 B9R0.45 CSCSCCCCC#N 62a_100011218213_100000211819 [1,0,0,0,0,0|2,0,1]=4 450 B9R0.45 CSCSCCCCC#N 62a_100011219923_100011218213 [1,0,0,0,0,0|2,0,1]=4 451 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [1,0,0,0,0,0|1,1,1]=4 452 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [1,0,0,0,0,0|1,1,1]=4 453 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [1,0,0,0,0,0|2,0,1]=4 454 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [1,0,0,0,0,0|2,0,1]=4 455 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [1,0,0,0,0,0|1,1,1]=4 456 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [1,0,0,0,0,0|1,1,1]=4 457 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,0,0,0,0|1,1,1]=4 458 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,0,0,0,0|1,1,1]=4 459 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,0,0,0,0,0|1,1,1]=4 460 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,0,0,0,0,0|1,1,1]=4 461 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,0,0,0,0,0|1,1,1]=4 462 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [1,0,0,0,0,0|1,0,1]=3 463 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [1,0,0,0,0,0|1,0,1]=3 464 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,0,0,0,0|0,1,1]=3 465 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,0,0,0,0|0,1,1]=3 466 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [0,1,0,0,0,0|2,0,1]=4 467 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [0,1,0,0,0,0|2,0,1]=4 468 B11R0.3 C#CCCCCCCCSCF 62a_100015361967_100153394163 [0,1,0,0,0,0|2,0,1]=4 469 B11R0.3 C#CCCCCCCCSCF 62a_100153394163_100015361967 [0,1,0,0,0,0|2,0,1]=4 470 B11R0.3 C#CCCCCCCOCSC 34a_100011217361_100011218213 [0,1,0,0,0,0|2,0,1]=4 471 B11R0.3 C#CCCCCCCSCSC 62a_100011218213_100012276617 [0,1,0,0,0,0|2,0,1]=4 472 B11R0.3 C#CCCCCCCSCSC 62a_100012276617_100011218213 [0,1,0,0,0,0|2,0,1]=4 473 B11R0.3 C#CCCCCCNCCSC 2230a_100020590264_100012094781 [0,1,0,0,0,0|2,0,1]=4 474 B11R0.3 C#CCCCCCOCCSC 34a_100000230434_100012094781 [0,1,0,0,0,0|2,0,1]=4 475 B11R0.3 C#CCCCCCOCCSC 34a_100000766912_100000212216 [0,1,0,0,0,0|2,0,1]=4 476 B11R0.3 C#CCCCCCOCCSC 7a_100000230434_100012094781 [0,1,0,0,0,0|2,0,1]=4 477 B11R0.3 C#CCCCCCOCCSC 7a_100000766912_100000212216 [0,1,0,0,0,0|2,0,1]=4 478 B11R0.3 C#CCCCCCSCCSC 62a_100000212216_100012094781 [0,1,0,0,0,0|2,0,1]=4 479 B11R0.3 C#CCCCCCSCCSC 62a_100012094781_100000751147 [0,1,0,0,0,0|2,0,1]=4 480 B11R0.3 C#CCCCCNCCCSC 2230a_100000749238_100010269958 [0,1,0,0,0,0|2,0,1]=4 481 B11R0.3 C#CCCCCOCCCSC 34a_100000690336_100010269958 [0,1,0,0,0,0|2,0,1]=4 482 B11R0.3 C#CCCCCOCCCSC 7a_100000690336_100010269958 [0,1,0,0,0,0|2,0,1]=4 483 B11R0.3 C#CCCCOCCCCSC 34a_100011217163_100000695029 [0,1,0,0,0,0|2,0,1]=4 484 B11R0.3 C#CCCCOCCCCSC 7a_100011217163_100011215417 [0,1,0,0,0,0|2,0,1]=4 485 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [0,1,0,0,0,0|2,0,1]=4 486 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [0,1,0,0,0,0|2,0,1]=4 487 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [0,1,0,0,0,0|2,0,1]=4 488 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [0,1,0,0,0,0|2,0,1]=4 489 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,1,0,0,0,0|2,0,1]=4 490 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,1,0,0,0,0|2,0,1]=4 491 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [0,1,0,0,0,0|2,0,1]=4 492 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [0,1,0,0,0,0|2,0,1]=4 493 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [0,1,0,0,0,0|2,0,1]=4 494 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [0,1,0,0,0,0|2,0,1]=4 495 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [0,1,0,0,0,0|2,0,1]=4 496 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [0,1,0,0,0,0|2,0,1]=4 497 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,1,0,0,0,0|2,0,1]=4 498 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,1,0,0,0,0|2,0,1]=4 499 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,1,0,0,0,0|2,0,1]=4 500 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,1,0,0,0,0|2,0,1]=4 501 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [0,1,0,0,0,0|2,0,1]=4 502 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [0,1,0,0,0,0|2,0,1]=4 503 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [0,1,0,0,0,0|2,0,1]=4 504 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [0,1,0,0,0,0|2,0,1]=4 505 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [0,1,0,0,0,0|2,0,1]=4 506 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [0,1,0,0,0,0|2,0,1]=4 507 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [0,1,0,0,0,0|2,0,1]=4 508 B11R0.3 C=COCCCCOCCSC 34a_100000031558_100000212216 [0,1,0,0,0,0|2,0,1]=4 509 B11R0.3 C=COCCCCOCCSC 7a_100000031558_100000212216 [0,1,0,0,0,0|2,0,1]=4 510 B11R0.3 C=COCCOCCCCSC 34a_100011217163_100000039644 [0,1,0,0,0,0|2,0,1]=4 511 B11R0.3 C=COCCOCCCCSC 7a_100011217163_100000039644 [0,1,0,0,0,0|2,0,1]=4 512 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [0,1,0,0,0,0|2,0,1]=4 513 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [0,1,0,0,0,0|2,0,1]=4 514 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [0,1,0,0,0,0|2,0,1]=4 515 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [0,1,0,0,0,0|2,0,1]=4 516 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,1,0,0,0,0|2,0,1]=4 517 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,1,0,0,0,0|2,0,1]=4 518 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [0,1,0,0,0,0|2,0,1]=4 519 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [0,1,0,0,0,0|2,0,1]=4 520 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [0,1,0,0,0,0|2,0,1]=4 521 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [0,1,0,0,0,0|2,0,1]=4 522 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [0,1,0,0,0,0|2,0,1]=4 523 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [0,1,0,0,0,0|2,0,1]=4 524 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [0,1,0,0,0,0|2,0,1]=4 525 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [0,1,0,0,0,0|2,0,1]=4 526 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [0,1,0,0,0,0|2,0,1]=4 527 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [0,1,0,0,0,0|2,0,1]=4 528 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [0,1,0,0,0,0|2,0,1]=4 529 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [0,1,0,0,0,0|2,0,1]=4 530 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [0,1,0,0,0,0|2,0,1]=4 531 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [0,1,0,0,0,0|2,0,1]=4 532 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [0,1,0,0,0,0|2,0,1]=4 533 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [0,1,0,0,0,0|2,0,1]=4 534 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [0,1,0,0,0,0|2,0,1]=4 535 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [0,1,0,0,0,0|2,0,1]=4 536 B11R0.3 CCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210326 [0,1,0,0,0,0|3,0,0]=4 537 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [0,1,0,0,0,0|2,0,1]=4 538 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [0,1,0,0,0,0|2,0,1]=4 539 B11R0.3 CCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210211 [0,1,0,0,0,0|3,0,0]=4 540 B11R0.3 CCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210202 [0,1,0,0,0,0|3,0,0]=4 541 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [0,1,0,0,0,0|2,0,1]=4 542 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [0,1,0,0,0,0|2,0,1]=4 543 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [0,1,0,0,0,0|2,0,1]=4 544 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [0,1,0,0,0,0|2,0,1]=4 545 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [0,1,0,0,0,0|2,0,1]=4 546 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,1,0,0,0,0|1,1,1]=4 547 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,1,0,0,0,0|1,1,1]=4 548 B11R0.3 CCSCCNCCCN=[N+]=[N-] 2230a_100000744732_100000757381 [0,1,0,0,0,0|3,0,0]=4 549 B11R0.3 CCSCCOCCCCSC 34a_100011217163_100000757381 [0,1,0,0,0,0|2,0,1]=4 550 B11R0.3 CCSCCOCCCCSC 7a_100011217163_100000757381 [0,1,0,0,0,0|2,0,1]=4 551 B11R0.3 CNCCCCCOCCSC 34a_100000722520_100000212216 [0,1,0,0,0,0|3,0,0]=4 552 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [0,1,0,0,0,0|3,0,0]=4 553 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [0,1,0,0,0,0|3,0,0]=4 554 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [0,1,0,0,0,0|3,0,0]=4 555 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [0,1,0,0,0,0|3,0,0]=4 556 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [0,1,0,0,0,0|3,0,0]=4 557 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [0,1,0,0,0,0|3,0,0]=4 558 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [0,1,0,0,0,0|3,0,0]=4 559 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [0,1,0,0,0,0|3,0,0]=4 560 B11R0.3 COCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000740836 [0,1,0,0,0,0|2,1,0]=4 561 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [0,1,0,0,0,0|3,0,0]=4 562 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [0,1,0,0,0,0|3,0,0]=4 563 B11R0.3 COCCNCCCCN=[N+]=[N-] 2230a_100000101370_100011201679 [0,1,0,0,0,0|2,1,0]=4 564 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,1,0,0,0,0|1,1,1]=4 565 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,1,0,0,0,0|1,1,1]=4 566 B11R0.3 CSCCCCOCCCC#N 7a_100011217163_100000687738 [0,1,0,0,0,0|2,0,1]=4 567 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,1,0,0,0,0|1,1,1]=4 568 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [0,1,0,0,0,0|2,0,1]=4 569 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [0,1,0,0,0,0|2,0,1]=4 570 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,1,0,0,0,0|1,1,1]=4 571 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,1,0,0,0,0|1,1,1]=4 572 B11R0.3 CSCCCNCCCCC#N 2230a_100000749238_100000211819 [0,1,0,0,0,0|2,0,1]=4 573 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,1,0,0,0,0|1,1,1]=4 574 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [0,1,0,0,0,0|2,0,1]=4 575 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,1,0,0,0,0|1,1,1]=4 576 B11R0.3 CSCCCOCCCCC#N 7a_100000690336_100000211819 [0,1,0,0,0,0|2,0,1]=4 577 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,1,0,0,0,0|1,1,1]=4 578 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [0,1,0,0,0,0|2,0,1]=4 579 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [0,1,0,0,0,0|2,0,1]=4 580 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,1,0,0,0,0|1,1,1]=4 581 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,1,0,0,0,0|1,1,1]=4 582 B11R0.3 CSCCNCCCCCC#N 2230a_100020590264_100009813376 [0,1,0,0,0,0|2,0,1]=4 583 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,1,0,0,0,0|1,1,1]=4 584 B11R0.3 CSCCNCCCCCCF 2230a_100020590264_100015922095 [0,1,0,0,0,0|2,0,1]=4 585 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,1,0,0,0,0|1,1,1]=4 586 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,1,0,0,0,0|1,1,1]=4 587 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,1,0,0,0,0|1,1,1]=4 588 B11R0.3 CSCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000751147 [0,1,0,0,0,0|2,0,0]=3 589 B11R0.3 CSCCOCCCCCC#N 7a_100000230434_100009813376 [0,1,0,0,0,0|2,0,1]=4 590 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,1,0,0,0,0|1,1,1]=4 591 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [0,1,0,0,0,0|2,0,1]=4 592 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [0,1,0,0,0,0|2,0,1]=4 593 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [0,1,0,0,0,0|2,0,1]=4 594 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [0,1,0,0,0,0|2,0,1]=4 595 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [0,1,0,0,0,0|2,0,1]=4 596 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [0,1,0,0,0,0|2,0,1]=4 597 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [0,1,0,0,0,0|2,0,1]=4 598 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [0,1,0,0,0,0|2,0,1]=4 599 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [0,1,0,0,0,0|2,0,1]=4 600 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,1,0,0,0,0|1,1,1]=4 601 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,1,0,0,0,0|1,1,1]=4 602 B11R0.3 CSCCSCCCCCC#N 62a_100000212216_100009813376 [0,1,0,0,0,0|2,0,1]=4 603 B11R0.3 CSCCSCCCCCC#N 62a_100009813376_100000751147 [0,1,0,0,0,0|2,0,1]=4 604 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,1,0,0,0,0|1,1,1]=4 605 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,1,0,0,0,0|1,1,1]=4 606 B11R0.3 CSCCSCCCCCCF 62a_100000212216_100015922095 [0,1,0,0,0,0|2,0,1]=4 607 B11R0.3 CSCCSCCCCCCF 62a_100015922095_100000751147 [0,1,0,0,0,0|2,0,1]=4 608 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,1,0,0,0,0|1,1,1]=4 609 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,1,0,0,0,0|1,1,1]=4 610 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,1,0,0,0,0|1,1,1]=4 611 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,1,0,0,0,0|1,1,1]=4 612 B11R0.3 CSCNCCOCCN=[N+]=[N-] 2230a_100102953956_100011218213 [0,1,0,0,0,0|3,0,0]=4 613 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [0,1,0,0,0,0|2,0,1]=4 614 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [0,1,0,0,0,0|2,0,1]=4 615 B11R0.3 CSCSCCCCCCC#N 62a_100009813337_100011218213 [0,1,0,0,0,0|2,0,1]=4 616 B11R0.3 CSCSCCCCCCC#N 62a_100011218213_100009813337 [0,1,0,0,0,0|2,0,1]=4 617 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,1,0,0,0,0|1,1,1]=4 618 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,1,0,0,0,0|1,1,1]=4 619 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,1,0,0,0,0|1,1,1]=4 620 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,1,0,0,0,0|1,1,1]=4 621 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,1,0,0,0,0|1,1,1]=4 622 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,1,0,0,0,0|1,1,1]=4 623 B11R0.4 CSCC(C)NCCCN=[N+]=[N-] 270004a_100000744732_100011216314 [0,1,0,0,0,0|3,0,0]=4 624 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,1,0,0,0,0|3,0,0]=4 625 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,1,0,0,0,0|3,0,0]=4 626 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,1,0,0,0,0|3,0,0]=4 627 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,1,0,0,0,0|3,0,0]=4 628 B11R0.81 CSCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000751147 [0,1,0,0,0,0|2,0,1]=4 629 B11R0.148 CSCCNCCCOC(=S)C 2230a_100020590264_200135323944 [0,1,0,0,0,0|2,0,1]=4 630 B11R0.148 CSCCOCCCOC(=S)C 34a_100000230434_200135323944 [0,1,0,0,0,0|2,0,1]=4 631 B11R0.148 CSCCOCCCOC(=S)C 7a_100000230434_200135323944 [0,1,0,0,0,0|2,0,1]=4 632 B11R0.148 CSCCSCCCOC(=S)C 62a_100000212216_200135323944 [0,1,0,0,0,0|2,0,1]=4 633 B11R0.148 CSCCSCCCOC(=S)C 62a_200135323944_100000751147 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_100000211948_200025704644 [0,0,0,1,0,0|3,0,0]=4 635 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_200025704644_100000211948 [0,0,0,1,0,0|3,0,0]=4 636 B11R1.17 CSCCC1CCCCN1C 62a_100000211948_200000210301 [0,0,0,1,0,0|3,0,0]=4 637 B11R1.17 CSCCC1CCCCN1C 62a_200000210301_100000211948 [0,0,0,1,0,0|3,0,0]=4 638 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [0,0,0,1,0,0|2,0,1]=4 639 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [0,0,0,1,0,0|2,0,1]=4 640 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [0,0,0,1,0,0|2,0,1]=4 641 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [0,0,0,1,0,0|2,0,1]=4 642 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [2,0,0,0,0,0|0,0,2]=4 643 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [2,0,0,0,0,0|0,0,2]=4 644 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [2,0,0,0,0,0|0,0,2]=4 645 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [2,0,0,0,0,0|0,0,2]=4 646 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|0,0,2]=4 647 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|0,0,2]=4 648 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|0,0,2]=4 649 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|0,0,2]=4 650 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|0,0,2]=4 651 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|0,0,2]=4 652 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|0,0,2]=4 653 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|0,0,2]=4 654 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|0,0,2]=4 655 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|0,1,1]=4 656 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|0,1,1]=4 657 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|0,1,1]=4 658 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|0,1,1]=4 659 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|0,1,1]=4 660 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|0,0,1]=3 661 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|0,0,1]=3 662 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|0,0,1]=3 663 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|0,0,1]=3 664 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [2,0,0,0,0,0|1,0,1]=4 665 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [2,0,0,0,0,0|1,0,1]=4 666 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [2,0,0,0,0,0|1,0,1]=4 667 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [2,0,0,0,0,0|1,0,1]=4 668 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [2,0,0,0,0,0|1,0,1]=4 669 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [2,0,0,0,0,0|1,0,1]=4 670 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [2,0,0,0,0,0|1,0,1]=4 671 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [2,0,0,0,0,0|1,0,1]=4 672 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [2,0,0,0,0,0|1,0,1]=4 673 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [2,0,0,0,0,0|1,0,1]=4 674 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [2,0,0,0,0,0|1,0,1]=4 675 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [2,0,0,0,0,0|1,0,1]=4 676 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [2,0,0,0,0,0|1,0,1]=4 677 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [2,0,0,0,0,0|1,0,1]=4 678 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [2,0,0,0,0,0|1,0,1]=4 679 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [2,0,0,0,0,0|1,0,1]=4 680 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [2,0,0,0,0,0|1,0,1]=4 681 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [2,0,0,0,0,0|1,0,1]=4 682 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [2,0,0,0,0,0|1,0,1]=4 683 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [2,0,0,0,0,0|1,0,1]=4 684 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 685 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 686 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 687 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 688 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 689 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|1,1,0]=4 690 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|1,1,0]=4 691 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|1,1,0]=4 692 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|1,1,0]=4 693 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|1,1,0]=4 694 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|1,1,0]=4 695 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|1,1,0]=4 696 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|1,1,0]=4 697 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|1,1,0]=4 698 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|1,1,0]=4 699 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|1,1,0]=4 700 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|1,1,0]=4 701 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|0,1,1]=4 702 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|0,2,0]=4 703 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [2,0,0,0,0,0|0,0,2]=4 704 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [2,0,0,0,0,0|0,0,2]=4 705 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|0,1,1]=4 706 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|0,1,1]=4 707 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [2,0,0,0,0,0|1,0,0]=3 708 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [2,0,0,0,0,0|1,0,0]=3 709 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|0,1,0]=3 710 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|0,1,0]=3 711 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [2,0,0,0,0,0|2,0,0]=4 712 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [2,0,0,0,0,0|2,0,0]=4 713 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [2,0,0,0,0,0|2,0,0]=4 714 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [2,0,0,0,0,0|1,1,0]=4 715 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [2,0,0,0,0,0|2,0,0]=4 716 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [2,0,0,0,0,0|2,0,0]=4 717 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [2,0,0,0,0,0|1,1,0]=4 718 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [2,0,0,0,0,0|1,1,0]=4 719 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [2,0,0,0,0,0|2,0,0]=4 720 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [2,0,0,0,0,0|2,0,0]=4 721 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [2,0,0,0,0,0|2,0,0]=4 722 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [2,0,0,0,0,0|1,1,0]=4 723 B8R0.4 CSCCOCCCBr 34a_100011217188_100000212216 [2,0,0,0,0,0|2,0,0]=4 724 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [2,0,0,0,0,0|2,0,0]=4 725 B8R0.4 CSCCOCCCF 34a_100000230434_100011934791 [2,0,0,0,0,0|2,0,0]=4 726 B8R0.4 CSCCOCCCF 34a_100000759539_100000212216 [2,0,0,0,0,0|2,0,0]=4 727 B8R0.4 CSCCOCCCF 7a_100000230434_100011934791 [2,0,0,0,0,0|2,0,0]=4 728 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [2,0,0,0,0,0|1,0,1]=4 729 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [2,0,0,0,0,0|1,1,0]=4 730 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [2,0,0,0,0,0|1,1,0]=4 731 B8R0.4 CSCCSCCCF 62a_100000212216_100011934791 [2,0,0,0,0,0|2,0,0]=4 732 B8R0.4 CSCCSCCCF 62a_100011934791_100000751147 [2,0,0,0,0,0|2,0,0]=4 733 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [2,0,0,0,0,0|1,1,0]=4 734 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [2,0,0,0,0,0|1,1,0]=4 735 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [2,0,0,0,0,0|1,1,0]=4 736 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [2,0,0,0,0,0|1,1,0]=4 737 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [2,0,0,0,0,0|2,0,0]=4 738 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [2,0,0,0,0,0|2,0,0]=4 739 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [2,0,0,0,0,0|2,0,0]=4 740 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [2,0,0,0,0,0|2,0,0]=4 741 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [2,0,0,0,0,0|1,0,1]=4 742 B8R0.4 CSCSCCCCF 62a_100000729493_100011218213 [2,0,0,0,0,0|2,0,0]=4 743 B8R0.4 CSCSCCCCF 62a_100011218213_100000729493 [2,0,0,0,0,0|2,0,0]=4 744 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [2,0,0,0,0,0|1,1,0]=4 745 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [2,0,0,0,0,0|1,1,0]=4 746 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|1,1,0]=4 747 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|1,1,0]=4 748 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|1,1,0]=4 749 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|1,1,0]=4 750 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|1,1,0]=4 751 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|1,1,0]=4 752 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|1,1,0]=4 753 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|1,1,0]=4 754 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|0,1,1]=4 755 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [2,0,0,0,0,0|0,0,2]=4 756 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [2,0,0,0,0,0|0,0,2]=4 757 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|0,1,1]=4 758 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|0,1,1]=4 759 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [2,0,0,0,0,0|1,0,0]=3 760 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [2,0,0,0,0,0|1,0,0]=3 761 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|0,1,0]=3 762 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|0,1,0]=3 763 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [1,1,0,0,0,0|1,1,0]=4 764 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [1,1,0,0,0,0|1,1,0]=4 765 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [1,1,0,0,0,0|1,1,0]=4 766 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [1,1,0,0,0,0|1,1,0]=4 767 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [1,1,0,0,0,0|1,0,1]=4 768 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [1,1,0,0,0,0|1,0,1]=4 769 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [1,1,0,0,0,0|1,0,1]=4 770 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [1,1,0,0,0,0|1,0,1]=4 771 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [1,1,0,0,0,0|1,0,1]=4 772 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [1,1,0,0,0,0|1,0,1]=4 773 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [1,1,0,0,0,0|1,0,1]=4 774 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [1,1,0,0,0,0|1,0,1]=4 775 B12R0.1 CSCC(C)NCCCCN=[N+]=[N-] 270004a_100000101370_100011216314 [0,2,0,0,0,0|2,0,0]=4 776 B12R0.5 CCSCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000757381 [0,2,0,0,0,0|2,0,0]=4 777 B12R0.5 CSCCNCCOCCN=[N+]=[N-] 2230a_100102953956_100000751147 [0,2,0,0,0,0|2,0,0]=4 778 B12R0.5 CSCCOCCOCCN=[N+]=[N-] 62a_100010820720_200000210301 [0,2,0,0,0,0|2,0,0]=4 779 B12R0.5 CSCCOCCOCCN=[N+]=[N-] 62a_200000210301_100010820720 [0,2,0,0,0,0|2,0,0]=4 780 B12R0.5 CSCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100011218213 [0,2,0,0,0,0|2,0,0]=4 781 B12R0.5 [13CH3]SCCOCCOCCN=[N+]=[N-] 62a_100010820720_200025704644 [0,2,0,0,0,0|2,0,0]=4 782 B12R0.5 [13CH3]SCCOCCOCCN=[N+]=[N-] 62a_200025704644_100010820720 [0,2,0,0,0,0|2,0,0]=4 783 B12R0.206 CSCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000751147 [0,2,0,0,0,0|2,0,0]=4 784 B12R0.206 CSCCC(C)NCCCN=[N+]=[N-] 270004a_100000744732_100011217047 [0,2,0,0,0,0|2,0,0]=4 785 B12R0.234 CSCCCNCCCOC(=S)C 2230a_100000749238_200135323944 [0,2,0,0,0,0|1,0,1]=4 786 B12R0.234 CSCCCOCCCOC(=S)C 34a_100000690336_200135323944 [0,2,0,0,0,0|1,0,1]=4 787 B12R0.234 CSCCCOCCCOC(=S)C 7a_100000690336_200135323944 [0,2,0,0,0,0|1,0,1]=4 788 B10R1.4 CN1CCCCC1CS[13CH3] 62a_100015185383_200025704644 [1,0,0,1,0,0|0,0,2]=4 789 B10R1.4 CN1CCCCC1CS[13CH3] 62a_200025704644_100015185383 [1,0,0,1,0,0|0,0,2]=4 790 B10R1.4 CSCC1CCCCN1C 62a_100015185383_200000210301 [1,0,0,1,0,0|0,0,2]=4 791 B10R1.4 CSCC1CCCCN1C 62a_200000210301_100015185383 [1,0,0,1,0,0|0,0,2]=4 792 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,0,0,1,0,0|1,0,1]=4 793 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,0,0,1,0,0|1,0,1]=4 794 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,0,0,1,0,0|1,0,1]=4 795 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,0,0,1,0,0|1,0,1]=4 796 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|0,1,1]=4 797 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|0,1,1]=4 798 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|0,1,1]=4 799 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|0,1,1]=4 800 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,1,0,0|1,0,1]=4 801 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,1,0,0|1,0,1]=4 802 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,1,0,0|1,0,1]=4 803 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,1,0,0|1,0,1]=4 804 B10R1.29 CN1CCCC1CCS[13CH3] 62a_100000005710_200025704644 [1,0,0,1,0,0|0,0,2]=4 805 B10R1.29 CN1CCCC1CCS[13CH3] 62a_200025704644_100000005710 [1,0,0,1,0,0|0,0,2]=4 806 B10R1.29 CSCCC1CCCN1C 62a_100000005710_200000210301 [1,0,0,1,0,0|0,0,2]=4 807 B10R1.29 CSCCC1CCCN1C 62a_200000210301_100000005710 [1,0,0,1,0,0|0,0,2]=4 808 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [1,0,0,1,0,0|1,0,1]=4 809 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [1,0,0,1,0,0|1,0,1]=4 810 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [1,0,0,1,0,0|1,0,1]=4 811 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [1,0,0,1,0,0|1,0,1]=4 812 B12R1.37 [N-]=[N+]=NCCCNC1CCSC1 270004a_100000744732_100000212027 [0,1,0,1,0,0|2,0,0]=4