List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
348085 |
127273147 |
1 |
O2N3C15H21 |
A2B3C15D21 |
-48.97 |
6.07 |
-8.52 |
-0.09 |
0 |
|
|
348086 |
127273148 |
2 |
ON2C10H15 |
AB2C10D15 |
-67.61 |
6.5 |
-8.39 |
-0.02 |
0 |
|
|
348087 |
127273149 |
1 |
O3N4C18H26 |
A3B4C18D26 |
-130.2 |
4.26 |
-8.37 |
0.0 |
0 |
|
|
348088 |
127273150 |
2 |
ON3C10H13 |
AB3C10D13 |
-24.89 |
5.83 |
-8.45 |
-0.38 |
0 |
|
|
348089 |
127273151 |
1 |
SO2N3C15H21 |
AB2C3D15E21 |
-62.18 |
6.11 |
-8.58 |
-0.16 |
0 |
|
|
348090 |
127273152 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-84.44 |
6.34 |
-8.53 |
-0.12 |
0 |
|
|
348091 |
127273153 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-116.94 |
2.85 |
-8.51 |
-0.09 |
0 |
|
|
348092 |
127273154 |
1 |
O3N4C20H30 |
A3B4C20D30 |
-125.64 |
6.24 |
-8.56 |
-0.18 |
0 |
|
|
348093 |
127273155 |
1 |
O3N4C20H28 |
A3B4C20D28 |
-97.09 |
5.81 |
-8.64 |
-0.19 |
0 |
|
|
348094 |
127273156 |
2 |
ON2C10H12 |
AB2C10D12 |
-29.24 |
8.13 |
-8.57 |
-0.15 |
0 |
|
|
348095 |
127273157 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-18.15 |
5.09 |
-8.53 |
-0.12 |
0 |
|
|
348096 |
127273158 |
1 |
SN4O4C17H26 |
AB4C4D17E26 |
-162.14 |
6.85 |
-8.56 |
-0.11 |
0 |
|
|
348097 |
127273159 |
1 |
O3N4C17H24 |
A3B4C17D24 |
-109.02 |
3.68 |
-8.51 |
-0.07 |
0 |
|
|
348098 |
127273160 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-68.73 |
7.63 |
-8.42 |
-0.12 |
0 |
|
|
348099 |
127273161 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-122.64 |
3.28 |
-8.52 |
-0.14 |
0 |
|
|
348100 |
127273162 |
1 |
O2N6C21H24 |
A2B6C21D24 |
10.45 |
8.95 |
-8.62 |
-1.03 |
0 |
|
|
348101 |
127273163 |
1 |
N3O3C16H23 |
A3B3C16D23 |
-114.89 |
2.92 |
-8.54 |
-0.16 |
0 |
|
|
348102 |
127273164 |
2 |
ON2C10H12 |
AB2C10D12 |
-34.48 |
6.22 |
-8.54 |
-0.13 |
0 |
|
|
348103 |
127273165 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-72.9 |
5.81 |
-8.52 |
-0.18 |
0 |
|
|
348104 |
127273166 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-122.75 |
2.82 |
-8.52 |
-0.15 |
0 |
|
|
348105 |
127273167 |
1 |
O2N5C19H25 |
A2B5C19D25 |
-37.48 |
5.45 |
-8.45 |
-0.02 |
0 |
|
|
348106 |
127273168 |
1 |
O3N4C18H26 |
A3B4C18D26 |
-126.13 |
2.96 |
-8.68 |
-0.24 |
0 |
|
|
348107 |
127273169 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-50.97 |
2.29 |
-8.43 |
-0.07 |
0 |
|
|
348108 |
127273170 |
1 |
O3N5C20H29 |
A3B5C20D29 |
-82.68 |
5.78 |
-8.56 |
-0.14 |
0 |
|
|
348109 |
127273171 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-123.39 |
5.27 |
-8.39 |
-0.01 |
0 |
|
|
348110 |
127273172 |
1 |
O3N5C19H29 |
A3B5C19D29 |
-120.99 |
4.69 |
-8.64 |
-0.15 |
0 |
|
|
348111 |
127273173 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-113.9 |
4.34 |
-8.47 |
-0.07 |
0 |
|
|
348112 |
127273174 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-55.34 |
4.23 |
-8.42 |
-0.05 |
0 |
|
|
348113 |
127273175 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-120.01 |
3.36 |
-8.44 |
-0.03 |
0 |
|
|
348114 |
127273176 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-83.08 |
5.66 |
-8.58 |
-0.12 |
0 |
|
|
348115 |
127273177 |
1 |
O2F3N4C18H25 |
A2B3C4D18E25 |
-224.82 |
9.48 |
-8.75 |
-0.26 |
0 |
|
|
348116 |
127273178 |
4 |
NOC5H7 |
ABC5D7 |
-147.01 |
4.04 |
-8.59 |
-0.15 |
0 |
|
|
348117 |
127273179 |
1 |
ON6C21H30 |
AB6C21D30 |
23.72 |
6.23 |
-8.89 |
-0.69 |
0 |
|
|
348118 |
127273180 |
1 |
ON5C18H25 |
AB5C18D25 |
18.39 |
7.61 |
-8.85 |
-0.66 |
0 |
|
|
348119 |
127273181 |
1 |
O2N6C21H28 |
A2B6C21D28 |
-21.96 |
4.98 |
-9.0 |
-0.88 |
0 |
|
|
348120 |
127273182 |
1 |
ON6C20H28 |
AB6C20D28 |
18.42 |
6.94 |
-8.93 |
-0.72 |
0 |
|
|
348121 |
127273183 |
1 |
ON6C20H28 |
AB6C20D28 |
26.85 |
6.29 |
-8.88 |
-0.76 |
0 |
|
|
348122 |
127273184 |
2 |
ON3C9H11 |
AB3C9D11 |
8.83 |
5.26 |
-9.06 |
-0.8 |
0 |
|
|
348123 |
127273185 |
1 |
ON5C16H21 |
AB5C16D21 |
20.25 |
7.45 |
-8.84 |
-0.7 |
0 |
|
|
348124 |
127273186 |
1 |
ON5C19H25 |
AB5C19D25 |
15.71 |
8.31 |
-8.75 |
-0.64 |
0 |
|
|
348125 |
127273187 |
1 |
SO3N5C14H17 |
AB3C5D14E17 |
-40.0 |
8.72 |
-9.21 |
-0.9 |
0 |
|
|
348126 |
127273188 |
1 |
OSN6C19H26 |
ABC6D19E26 |
31.96 |
6.21 |
-8.7 |
-0.74 |
0 |
|
|
348127 |
127273189 |
2 |
ON3C10H14 |
AB3C10D14 |
-10.94 |
6.32 |
-8.85 |
-0.78 |
0 |
|
|
348128 |
127273190 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-135.17 |
5.55 |
-8.62 |
0.29 |
0 |
|
|
348129 |
127273191 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-82.33 |
4.88 |
-8.68 |
0.26 |
0 |
|
|
348130 |
127273192 |
1 |
ON4C14H20 |
AB4C14D20 |
3.92 |
3.7 |
-9.07 |
-0.24 |
0 |
|
|
348131 |
127273193 |
1 |
ON5C13H23 |
AB5C13D23 |
-32.33 |
4.53 |
-9.56 |
0.22 |
0 |
|
|
348132 |
127273194 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-131.39 |
4.74 |
-9.33 |
0.98 |
0 |
|
|
348133 |
127273195 |
1 |
ON5C14H23 |
AB5C14D23 |
-22.9 |
4.94 |
-9.49 |
0.29 |
0 |
|
|
348134 |
127273196 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-123.6 |
3.95 |
-9.04 |
1.24 |
0 |
|
|
348135 |
127273197 |
1 |
SN2O3C12H22 |
AB2C3D12E22 |
-158.0 |
9.17 |
-9.59 |
0.7 |
0 |
|
|
348136 |
127273198 |
1 |
ON5C21H35 |
AB5C21D35 |
-55.6 |
7.83 |
-8.49 |
0.74 |
0 |
|
|
348137 |
127273199 |
1 |
O2N5C20H33 |
A2B5C20D33 |
-83.7 |
6.49 |
-8.62 |
0.72 |
0 |
|
|
348138 |
127273200 |
1 |
ON3C16H31 |
AB3C16D31 |
-93.2 |
3.01 |
-8.66 |
1.33 |
0 |
|
|
348139 |
127273201 |
1 |
ON3C14H27 |
AB3C14D27 |
-83.24 |
2.72 |
-8.78 |
1.33 |
0 |
|
|
348140 |
127273202 |
1 |
ON3C15H29 |
AB3C15D29 |
-88.12 |
2.84 |
-8.73 |
1.33 |
0 |
|
|
348141 |
127273203 |
1 |
ON4C19H28 |
AB4C19D28 |
-56.75 |
4.06 |
-8.79 |
0.94 |
0 |
|
|
348142 |
127273204 |
1 |
O2N3C12H23 |
A2B3C12D23 |
-115.31 |
1.59 |
-9.34 |
0.87 |
0 |
|
|
348143 |
127273205 |
1 |
SN3O4C19H29 |
AB3C4D19E29 |
-160.27 |
2.19 |
-9.39 |
-1.01 |
0 |
|
|
348144 |
127273206 |
1 |
O2N5C18H31 |
A2B5C18D31 |
-89.12 |
4.23 |
-8.55 |
0.84 |
0 |
|
|
348145 |
127273207 |
1 |
ON2C13H24 |
AB2C13D24 |
-67.3 |
4.03 |
-9.24 |
1.35 |
0 |
|
|
348146 |
127273208 |
1 |
ON4C19H30 |
AB4C19D30 |
-64.37 |
6.48 |
-8.91 |
0.77 |
0 |
|
|
348147 |
127273209 |
1 |
ON3C16H29 |
AB3C16D29 |
-63.49 |
2.79 |
-8.86 |
1.34 |
0 |
|
|
348148 |
127273210 |
1 |
ON5C17H27 |
AB5C17D27 |
-20.24 |
5.25 |
-8.74 |
0.84 |
0 |
|
|
348149 |
127273211 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-119.95 |
1.78 |
-9.33 |
0.91 |
0 |
|
|
348150 |
127273212 |
1 |
ON2C12H22 |
AB2C12D22 |
-55.47 |
4.32 |
-9.02 |
1.19 |
0 |
|
|
348151 |
127273213 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-108.24 |
5.67 |
-9.43 |
0.91 |
0 |
|
|
348152 |
127273214 |
1 |
SN2O3C13H24 |
AB2C3D13E24 |
-165.24 |
3.86 |
-9.47 |
0.83 |
0 |
|
|
348153 |
127273215 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-86.67 |
6.84 |
-8.8 |
-0.39 |
0 |
|
|
348154 |
127273216 |
1 |
ON5C19H31 |
AB5C19D31 |
-38.56 |
3.95 |
-8.43 |
-0.11 |
0 |
|
|
348155 |
127273217 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-125.6 |
2.1 |
-9.22 |
0.69 |
0 |
|
|
348156 |
127273218 |
1 |
ON5C17H27 |
AB5C17D27 |
-14.24 |
6.85 |
-8.65 |
0.78 |
0 |
|
|
348157 |
127273219 |
1 |
O2N3C13H25 |
A2B3C13D25 |
-121.96 |
1.79 |
-9.31 |
0.92 |
0 |
|
|
348158 |
127273220 |
2 |
NOC7H13 |
ABC7D13 |
-128.11 |
5.02 |
-9.09 |
1.39 |
0 |
|
|
348159 |
127273221 |
1 |
ON4C16H26 |
AB4C16D26 |
-42.38 |
6.39 |
-9.03 |
0.7 |
0 |
|
|
348160 |
127273222 |
1 |
OSN5C19H31 |
ABC5D19E31 |
-36.44 |
6.23 |
-8.36 |
0.56 |
0 |
|
|
348161 |
127273223 |
1 |
ON5C17H27 |
AB5C17D27 |
-36.28 |
5.27 |
-8.55 |
0.79 |
0 |
|
|
348162 |
127273224 |
1 |
ON5C15H25 |
AB5C15D25 |
-37.95 |
5.64 |
-9.45 |
0.42 |
0 |
|
|
348163 |
127273225 |
1 |
ON7C16H23 |
AB7C16D23 |
5.12 |
7.84 |
-9.06 |
0.4 |
0 |
|
|
348164 |
127273226 |
1 |
ON5C18H29 |
AB5C18D29 |
-24.65 |
5.17 |
-8.68 |
0.86 |
0 |
|
|
348165 |
127273227 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-125.0 |
3.69 |
-9.39 |
1.17 |
0 |
|
|
348166 |
127273228 |
1 |
ON3C17H33 |
AB3C17D33 |
-100.96 |
3.07 |
-8.58 |
1.38 |
0 |
|
|
348167 |
127273229 |
1 |
F2N3O4C17H21 |
A2B3C4D17E21 |
-236.42 |
1.86 |
-9.43 |
-0.83 |
0 |
|
|
348168 |
127273230 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-156.12 |
3.73 |
-9.33 |
1.19 |
0 |
|
|
348169 |
127273231 |
2 |
NOC7H13 |
ABC7D13 |
-127.73 |
4.63 |
-9.33 |
1.31 |
0 |
|
|
348170 |
127273232 |
1 |
ON5C19H31 |
AB5C19D31 |
-34.64 |
2.82 |
-8.67 |
-0.15 |
0 |
|
|
348171 |
127273233 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-88.61 |
1.33 |
-9.34 |
0.02 |
0 |
|
|
348172 |
127273234 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-135.96 |
7.09 |
-9.22 |
1.21 |
0 |
|
|
348173 |
127273235 |
2 |
NOC7H13 |
ABC7D13 |
-125.22 |
5.57 |
-9.28 |
1.19 |
0 |
|
|
348174 |
127273236 |
1 |
F2O2N3C22H23 |
A2B2C3D22E23 |
-140.03 |
5.47 |
-9.26 |
-0.88 |
0 |
|
|
348175 |
127273237 |
1 |
OSN2C13H24 |
ABC2D13E24 |
-83.96 |
3.65 |
-8.64 |
0.73 |
0 |
|
|
348176 |
127273238 |
1 |
ClO3N4C18H25 |
AB3C4D18E25 |
-120.77 |
3.89 |
-8.92 |
-0.28 |
0 |
|
|
348177 |
127273239 |
1 |
O2N4C13H22 |
A2B4C13D22 |
-58.54 |
4.52 |
-9.6 |
-0.39 |
0 |
|
|
348178 |
127273240 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-143.83 |
1.7 |
-9.34 |
1.21 |
0 |
|
|
348179 |
127273241 |
1 |
ClN3O3C20H30 |
AB3C3D20E30 |
-129.76 |
3.83 |
-8.9 |
-0.31 |
0 |
|
|
348180 |
127273242 |
1 |
OSN4C20H24 |
ABC4D20E24 |
6.58 |
3.35 |
-8.09 |
-0.61 |
0 |
|
|
348181 |
127273243 |
1 |
ON4C21H30 |
AB4C21D30 |
-31.22 |
2.24 |
-8.19 |
0.21 |
0 |
|
|
348182 |
127273244 |
1 |
ON4C22H32 |
AB4C22D32 |
-37.07 |
3.35 |
-8.12 |
0.26 |
0 |
|
|
348183 |
127273245 |
1 |
ClON5C20H24 |
ABC5D20E24 |
26.03 |
7.11 |
-8.67 |
-0.48 |
0 |
|
|
348184 |
127273246 |
1 |
ClO2N3C20H26 |
AB2C3D20E26 |
-63.06 |
4.99 |
-9.34 |
-0.31 |
0 |