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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
317060 |
126632390 |
1 |
O3N5H57C101 |
A3B5C57D101 |
397.87 |
0.93 |
-8.28 |
-1.24 |
0 |
|
|
317062 |
126632392 |
1 |
O3N5H61C98 |
A3B5C61D98 |
372.61 |
3.06 |
-8.2 |
-1.4 |
0 |
|
|
317063 |
126632393 |
1 |
SN6O7C37H52 |
AB6C7D37E52 |
-253.34 |
9.01 |
-9.15 |
-0.49 |
0 |
|
|
317064 |
126632397 |
1 |
O3N5H59C101 |
A3B5C59D101 |
394.12 |
2.96 |
-8.26 |
-1.27 |
0 |
|
|
317065 |
126632399 |
1 |
O3N5H51C88 |
A3B5C51D88 |
336.37 |
2.23 |
-8.28 |
-1.13 |
0 |
|
|
317066 |
126632412 |
1 |
O3N5H59C105 |
A3B5C59D105 |
416.41 |
1.36 |
-8.25 |
-1.43 |
0 |
|
|
317067 |
126632413 |
1 |
O3N5H57C98 |
A3B5C57D98 |
379.12 |
2.76 |
-8.3 |
-1.47 |
0 |
|
|
317068 |
126632415 |
1 |
O3N5H55C94 |
A3B5C55D94 |
372.47 |
5.3 |
-8.03 |
-1.47 |
0 |
|
|
317069 |
126632416 |
1 |
O3N4H58C99 |
A3B4C58D99 |
366.71 |
3.7 |
-8.21 |
-1.16 |
0 |
|
|
317072 |
126632427 |
1 |
N5H75C107 |
A5B75C107 |
419.85 |
1.89 |
-8.23 |
-1.43 |
0 |
|
|
317073 |
126632428 |
1 |
N5H75C107 |
A5B75C107 |
420.56 |
0.84 |
-8.17 |
-1.39 |
0 |
|
|
317074 |
126632429 |
1 |
N5H75C107 |
A5B75C107 |
420.71 |
1.03 |
-8.19 |
-1.33 |
0 |
|
|
317076 |
126632431 |
4 |
NH19C27 |
AB19C27 |
407.05 |
1.13 |
-8.18 |
-1.04 |
0 |
|
|
317077 |
126632432 |
4 |
NH19C27 |
AB19C27 |
407.14 |
2.79 |
-8.14 |
-1.05 |
0 |
|
|
317078 |
126632433 |
1 |
S3N5H55C94 |
A3B5C55D94 |
444.31 |
3.56 |
-8.15 |
-1.43 |
0 |
|
|
317079 |
126632437 |
4 |
NH19C27 |
AB19C27 |
404.0 |
4.35 |
-8.03 |
-1.25 |
0 |
|
|
317081 |
126632443 |
1 |
S3N5H57C98 |
A3B5C57D98 |
464.5 |
5.49 |
-8.24 |
-1.53 |
0 |
|
|
317082 |
126632444 |
1 |
S3N4H58C99 |
A3B4C58D99 |
450.41 |
2.29 |
-8.3 |
-1.18 |
0 |
|
|
317083 |
126632447 |
1 |
O3N4H44C77 |
A3B4C44D77 |
284.76 |
2.79 |
-8.24 |
-1.16 |
0 |
|
|
317084 |
126632448 |
1 |
S3N4H58C99 |
A3B4C58D99 |
452.88 |
3.06 |
-8.25 |
-1.15 |
0 |
|
|
317085 |
126632450 |
3 |
SN2H18C31 |
AB2C18D31 |
468.76 |
4.92 |
-8.24 |
-1.32 |
0 |
|
|
317087 |
126632455 |
3 |
SN2H18C31 |
AB2C18D31 |
459.73 |
2.64 |
-8.29 |
-1.56 |
0 |
|
|
317088 |
126632458 |
1 |
S3N5H57C98 |
A3B5C57D98 |
466.06 |
5.75 |
-8.19 |
-1.25 |
0 |
|
|
317089 |
126632463 |
1 |
O3N5H55C94 |
A3B5C55D94 |
358.71 |
4.07 |
-8.18 |
-1.33 |
0 |
|
|
317092 |
126632467 |
1 |
P3N5H70C112 |
A3B5C70D112 |
492.27 |
4.72 |
-8.22 |
-1.37 |
0 |
|
|
317093 |
126632468 |
1 |
P3N5H72C116 |
A3B5C72D116 |
509.29 |
3.9 |
-8.15 |
-1.46 |
0 |
|
|
317094 |
126632469 |
1 |
IC10H17 |
AB10C17 |
-11.02 |
2.55 |
-9.56 |
-0.61 |
0 |
|
|
317095 |
126632472 |
1 |
N5O6C30H43 |
A5B6C30D43 |
-243.92 |
5.52 |
-8.79 |
-0.86 |
0 |
|
|
317096 |
126632475 |
1 |
N3H35C53 |
A3B35C53 |
233.21 |
1.6 |
-7.93 |
-0.66 |
0 |
|
|
317097 |
126632477 |
1 |
NH23C32 |
AB23C32 |
137.58 |
2.17 |
-8.0 |
-0.33 |
0 |
|
|
317100 |
126632483 |
1 |
NPH18C25 |
ABC18D25 |
97.06 |
1.92 |
-8.06 |
-0.61 |
0 |
|
|
317105 |
126632509 |
1 |
NOH15C23 |
ABC15D23 |
68.89 |
2.44 |
-8.14 |
-0.83 |
0 |
|
|
317106 |
126632511 |
1 |
NOH15C23 |
ABC15D23 |
69.84 |
1.46 |
-8.1 |
-0.9 |
0 |
|
|
317107 |
126632513 |
1 |
NOH15C23 |
ABC15D23 |
68.27 |
3.6 |
-8.09 |
-0.99 |
0 |
|
|
317110 |
126632526 |
1 |
NPH20C29 |
ABC20D29 |
120.83 |
3.0 |
-8.0 |
-0.78 |
0 |
|
|
317111 |
126632530 |
1 |
NPH20C29 |
ABC20D29 |
114.24 |
1.74 |
-7.98 |
-0.71 |
0 |
|
|
317112 |
126632531 |
1 |
NSH15C23 |
ABC15D23 |
101.21 |
2.07 |
-8.15 |
-0.87 |
0 |
|
|
317113 |
126632532 |
1 |
NPH20C29 |
ABC20D29 |
114.17 |
2.07 |
-8.02 |
-0.64 |
0 |
|
|
317114 |
126632533 |
1 |
NH25C36 |
AB25C36 |
155.87 |
2.35 |
-8.03 |
-0.87 |
0 |
|
|
317115 |
126632540 |
1 |
NSO2H13C19 |
ABC2D13E19 |
8.62 |
5.47 |
-8.44 |
-1.03 |
0 |
|
|
317119 |
126632551 |
1 |
NPSH18C25 |
ABCD18E25 |
65.47 |
7.5 |
-8.48 |
-0.92 |
0 |
|
|
317120 |
126632554 |
1 |
NOPH18C25 |
ABCD18E25 |
45.32 |
6.5 |
-8.48 |
-0.89 |
0 |
|
|
317121 |
126632560 |
1 |
NOPH20C29 |
ABCD20E29 |
61.13 |
6.77 |
-8.33 |
-1.04 |
0 |
|
|
317122 |
126632561 |
1 |
NOPH20C29 |
ABCD20E29 |
54.71 |
4.3 |
-8.15 |
-0.76 |
0 |
|
|
317123 |
126632562 |
1 |
NOPH20C29 |
ABCD20E29 |
51.65 |
3.62 |
-8.18 |
-0.94 |
0 |
|
|
317127 |
126632578 |
1 |
NSO2H15C23 |
ABC2D15E23 |
23.9 |
5.08 |
-8.38 |
-1.04 |
0 |
|
|
317128 |
126632581 |
1 |
NSO2H15C23 |
ABC2D15E23 |
26.16 |
5.52 |
-8.28 |
-1.28 |
0 |
|
|
317130 |
126632585 |
1 |
N2H20C29 |
A2B20C29 |
128.43 |
1.44 |
-7.7 |
-0.74 |
0 |
|
|
317131 |
126632586 |
1 |
N2H20C29 |
A2B20C29 |
131.59 |
3.17 |
-7.87 |
-0.7 |
0 |
|
|
317132 |
126632588 |
1 |
NOPH20C29 |
ABCD20E29 |
60.78 |
4.35 |
-8.39 |
-1.0 |
0 |
|
|
317136 |
126632607 |
1 |
N2H36C51 |
A2B36C51 |
216.31 |
3.57 |
-7.96 |
-0.67 |
0 |
|
|
317137 |
126632609 |
2 |
NH10C12 |
AB10C12 |
99.68 |
3.48 |
-7.69 |
-0.32 |
0 |
|
|
317138 |
126632621 |
1 |
NSO2H19C29 |
ABC2D19E29 |
48.96 |
4.65 |
-8.19 |
-1.27 |
0 |
|
|
317139 |
126632622 |
1 |
NSO2H19C29 |
ABC2D19E29 |
50.2 |
6.54 |
-8.11 |
-1.25 |
0 |
|
|
317140 |
126632630 |
1 |
NSO2H19C29 |
ABC2D19E29 |
47.72 |
4.89 |
-8.2 |
-1.21 |
0 |
|
|
317142 |
126632634 |
1 |
NH25C35 |
AB25C35 |
201.05 |
1.44 |
-7.98 |
-0.81 |
0 |
|
|
317144 |
126632641 |
2 |
N5H39C62 |
A5B39C62 |
608.84 |
5.21 |
-7.86 |
-0.94 |
0 |
|
|
317145 |
126632643 |
1 |
ON9H75C124 |
AB9C75D124 |
573.37 |
4.25 |
-8.08 |
-0.96 |
0 |
|
|
317146 |
126632645 |
1 |
ON8H64C106 |
AB8C64D106 |
491.33 |
5.57 |
-8.11 |
-0.97 |
0 |
|
|
317147 |
126632647 |
10 |
NH8C13 |
AB8C13 |
633.14 |
3.64 |
-8.04 |
-0.91 |
0 |
|
|
317148 |
126632659 |
1 |
NSO2H21C33 |
ABC2D21E33 |
68.66 |
7.47 |
-8.1 |
-1.13 |
0 |
|
|
317149 |
126632662 |
1 |
ON7H45C70 |
AB7C45D70 |
336.48 |
1.44 |
-7.89 |
-1.0 |
0 |
|
|
317150 |
126632664 |
2 |
ON3H20C35 |
AB3C20D35 |
302.13 |
1.23 |
-8.12 |
-1.04 |
0 |
|
|
317151 |
126632668 |
1 |
ON9H61C99 |
AB9C61D99 |
482.75 |
4.2 |
-7.95 |
-1.05 |
0 |
|
|
317152 |
126632669 |
1 |
O3N5H39C70 |
A3B5C39D70 |
265.74 |
2.39 |
-8.54 |
-1.08 |
0 |
|
|
317155 |
126632672 |
1 |
O2N7H45C75 |
A2B7C45D75 |
339.9 |
2.28 |
-8.06 |
-1.15 |
0 |
|
|
317158 |
126632681 |
1 |
O3N6H38C69 |
A3B6C38D69 |
281.11 |
1.47 |
-8.6 |
-1.19 |
0 |
|
|
317159 |
126632683 |
1 |
N10H66C105 |
A10B66C105 |
542.06 |
4.26 |
-7.94 |
-1.04 |
0 |
|
|
317160 |
126632686 |
1 |
ON9H73C122 |
AB9C73D122 |
570.43 |
4.18 |
-8.04 |
-1.37 |
0 |
|
|
317161 |
126632687 |
1 |
O2N7H57C98 |
A2B7C57D98 |
427.4 |
1.42 |
-8.07 |
-1.43 |
0 |
|
|
317162 |
126632691 |
1 |
ON8H66C110 |
AB8C66D110 |
512.05 |
3.79 |
-8.0 |
-1.39 |
0 |
|
|
317163 |
126632696 |
1 |
ON7H53C86 |
AB7C53D86 |
405.84 |
2.69 |
-8.04 |
-1.45 |
0 |
|
|
317164 |
126632699 |
2 |
ON3H25C43 |
AB3C25D43 |
369.96 |
2.49 |
-8.09 |
-1.46 |
0 |
|
|
317165 |
126632703 |
2 |
ON3H21C37 |
AB3C21D37 |
323.2 |
1.49 |
-8.0 |
-1.47 |
0 |
|
|
317166 |
126632704 |
1 |
ON8H60C98 |
AB8C60D98 |
464.25 |
4.55 |
-7.88 |
-1.39 |
0 |
|
|
317167 |
126632706 |
2 |
N5H45C71 |
A5B45C71 |
724.52 |
6.37 |
-6.98 |
-1.14 |
0 |
|
|
317168 |
126632718 |
1 |
N11H89C141 |
A11B89C141 |
688.55 |
2.69 |
-7.85 |
-1.3 |
0 |
|
|
317169 |
126632719 |
2 |
N5H46C73 |
A5B46C73 |
694.28 |
5.24 |
-7.73 |
-1.39 |
0 |
|
|
317170 |
126632720 |
1 |
N11H91C147 |
A11B91C147 |
712.95 |
1.36 |
-7.99 |
-1.28 |
0 |
|
|
317172 |
126632723 |
1 |
N7H53C75 |
A7B53C75 |
343.81 |
3.44 |
-8.34 |
-0.92 |
0 |
|
|
317173 |
126632729 |
2 |
N3H27C38 |
A3B27C38 |
328.19 |
3.99 |
-8.22 |
-0.8 |
0 |
|
|
317174 |
126632733 |
2 |
N3H28C40 |
A3B28C40 |
351.07 |
1.75 |
-8.05 |
-1.22 |
0 |
|
|
317175 |
126632734 |
1 |
SN7H47C72 |
AB7C47D72 |
358.58 |
2.53 |
-8.2 |
-0.94 |
0 |
|
|
317177 |
126632742 |
1 |
N7H67C100 |
A7B67C100 |
435.63 |
3.41 |
-8.03 |
-0.95 |
0 |
|
|
317178 |
126632744 |
1 |
SN7H61C97 |
AB7C61D97 |
450.15 |
3.3 |
-8.04 |
-0.99 |
0 |
|
|
317179 |
126632748 |
1 |
S2N8H54C93 |
A2B8C54D93 |
481.27 |
1.01 |
-8.0 |
-1.21 |
0 |
|
|
317180 |
126632757 |
1 |
SN7H49C78 |
AB7C49D78 |
384.01 |
0.98 |
-8.12 |
-1.21 |
0 |
|
|
317182 |
126632767 |
1 |
ON5H51C78 |
AB5C51D78 |
321.99 |
2.69 |
-8.11 |
-1.03 |
0 |
|
|
317183 |
126632779 |
1 |
ON5H49C74 |
AB5C49D74 |
307.31 |
3.63 |
-8.1 |
-0.88 |
0 |
|
|
317184 |
126632784 |
1 |
ON6H52C83 |
AB6C52D83 |
370.63 |
4.21 |
-8.17 |
-1.48 |
0 |
|
|
317186 |
126632795 |
1 |
ON7H59C87 |
AB7C59D87 |
362.64 |
2.6 |
-7.98 |
-1.22 |
0 |
|
|
317187 |
126632796 |
1 |
ON7H53C82 |
AB7C53D82 |
367.02 |
1.16 |
-8.0 |
-1.3 |
0 |
|
|
317188 |
126632797 |
1 |
ON7H53C82 |
AB7C53D82 |
370.17 |
1.95 |
-8.12 |
-1.16 |
0 |
|
|
317190 |
126632803 |
1 |
ON7H69C109 |
AB7C69D109 |
468.63 |
3.96 |
-8.13 |
-1.0 |
0 |
|
|
317191 |
126632809 |
1 |
ON8H66C106 |
AB8C66D106 |
474.63 |
1.92 |
-8.08 |
-1.31 |
0 |
|
|
317194 |
126632825 |
1 |
ON7H77C115 |
AB7C77D115 |
445.95 |
5.03 |
-8.02 |
-1.02 |
0 |
|
|
317195 |
126632842 |
1 |
OSN7H67C112 |
ABC7D67E112 |
504.5 |
1.79 |
-7.98 |
-1.26 |
0 |
|
|
317198 |
126632876 |
1 |
ClN4H45C64 |
AB4C45D64 |
248.53 |
4.18 |
-8.09 |
-1.29 |
0 |
|
|
317199 |
126632897 |
2 |
NO4C12H16 |
AB4C12D16 |
-323.7 |
2.4 |
-9.78 |
-0.33 |
0 |
|
|
317200 |
126632918 |
1 |
N2O2C17H32 |
A2B2C17D32 |
-122.34 |
1.3 |
-8.75 |
0.57 |
0 |