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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
421474 |
135116066 |
1 |
N2O3C22H24 |
A2B3C22D24 |
-21.11 |
4.32 |
-9.27 |
-0.17 |
0 |
|
|
421475 |
135116067 |
1 |
FN3O4C19H24 |
AB3C4D19E24 |
-137.51 |
3.3 |
-8.78 |
-1.3 |
0 |
|
|
421476 |
135116068 |
1 |
O2N3C23H33 |
A2B3C23D33 |
-57.71 |
6.84 |
-8.67 |
0.19 |
0 |
|
|
421477 |
135116070 |
2 |
NOC10H15 |
ABC10D15 |
-88.49 |
5.01 |
-8.79 |
0.3 |
0 |
|
|
421478 |
135116072 |
1 |
FN3O4C19H24 |
AB3C4D19E24 |
-126.72 |
3.95 |
-8.9 |
-1.14 |
0 |
|
|
421479 |
135116073 |
1 |
FO2N4C14H15 |
AB2C4D14E15 |
-57.83 |
0.38 |
-9.63 |
-0.52 |
0 |
|
|
421480 |
135116074 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-82.7 |
4.46 |
-9.47 |
-0.43 |
0 |
|
|
421481 |
135116075 |
2 |
NO2C10H13 |
AB2C10D13 |
-121.2 |
3.21 |
-9.56 |
-1.15 |
0 |
|
|
421482 |
135116078 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-195.15 |
7.15 |
-9.13 |
0.01 |
0 |
|
|
421483 |
135116080 |
1 |
NO4C16H23 |
AB4C16D23 |
-171.85 |
5.44 |
-8.52 |
0.3 |
0 |
|
|
421485 |
135116082 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-115.92 |
8.05 |
-8.81 |
-0.12 |
0 |
|
|
421486 |
135116083 |
1 |
ClSN2O2C19H21 |
ABC2D2E19F21 |
-57.04 |
3.3 |
-9.08 |
-0.3 |
0 |
|
|
421487 |
135116085 |
1 |
O7N9C42H55 |
A7B9C42D55 |
-250.73 |
3.25 |
-8.08 |
-0.25 |
0 |
|
|
421488 |
135116110 |
1 |
FN3O4C20H26 |
AB3C4D20E26 |
-143.72 |
3.24 |
-9.11 |
-0.97 |
0 |
|
|
421489 |
135116111 |
1 |
O2N3C23H25 |
A2B3C23D25 |
-19.74 |
2.64 |
-9.27 |
-0.84 |
0 |
|
|
421490 |
135116113 |
1 |
O3N4C16H26 |
A3B4C16D26 |
-99.31 |
2.45 |
-8.95 |
0.18 |
0 |
|
|
421491 |
135116114 |
1 |
NO2C23H29 |
AB2C23D29 |
-56.08 |
2.04 |
-8.69 |
0.01 |
0 |
|
|
421492 |
135116115 |
1 |
NO4C23H27 |
AB4C23D27 |
-142.58 |
5.46 |
-9.05 |
-0.03 |
0 |
|
|
421493 |
135116116 |
1 |
N7O7C33H47 |
A7B7C33D47 |
-315.41 |
6.41 |
-8.48 |
0.0 |
0 |
|
|
421494 |
135116117 |
1 |
N3O5C14H17 |
A3B5C14D17 |
-149.63 |
9.87 |
-9.94 |
-0.5 |
0 |
|
|
421495 |
135116118 |
1 |
ON4C16H26 |
AB4C16D26 |
-16.41 |
1.08 |
-8.55 |
-0.15 |
0 |
|
|
421496 |
135116120 |
2 |
NO2C10H11 |
AB2C10D11 |
-127.21 |
8.5 |
-9.57 |
-0.76 |
0 |
|
|
421497 |
135116121 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-101.32 |
5.25 |
-8.34 |
0.03 |
0 |
|
|
421498 |
135116122 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-101.79 |
6.5 |
-9.51 |
-0.54 |
0 |
|
|
421499 |
135116125 |
1 |
ON5C24H29 |
AB5C24D29 |
44.38 |
3.82 |
-8.9 |
-0.6 |
0 |
|
|
421501 |
135116128 |
1 |
OSN3C20H21 |
ABC3D20E21 |
41.26 |
3.38 |
-8.66 |
-0.78 |
0 |
|
|
421502 |
135116129 |
1 |
ClO4N7C26H30 |
AB4C7D26E30 |
-81.56 |
3.07 |
-9.26 |
-0.84 |
0 |
|
|
421503 |
135116130 |
1 |
N2O2F3C18H19 |
A2B2C3D18E19 |
-201.35 |
3.29 |
-8.97 |
-0.38 |
0 |
|
|
421504 |
135116131 |
1 |
ON5C15H21 |
AB5C15D21 |
23.45 |
4.74 |
-9.06 |
-0.93 |
0 |
|
|
421505 |
135116134 |
1 |
FNO4C18H26 |
ABC4D18E26 |
-221.66 |
3.77 |
-8.84 |
0.11 |
0 |
|
|
421506 |
135116139 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-133.81 |
3.99 |
-8.5 |
0.35 |
0 |
|
|
421507 |
135116141 |
1 |
OSN2C18H22 |
ABC2D18E22 |
-6.74 |
2.79 |
-8.4 |
-0.39 |
0 |
|
|
421508 |
135116144 |
1 |
N2S2O4C13H20 |
A2B2C4D13E20 |
-152.02 |
3.68 |
-9.51 |
-0.81 |
0 |
|
|
421509 |
135116145 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-80.32 |
7.74 |
-9.08 |
-0.42 |
0 |
|
|
421511 |
135116147 |
2 |
NOC10H13 |
ABC10D13 |
-81.73 |
4.6 |
-8.43 |
0.02 |
0 |
|
|
421512 |
135116149 |
1 |
SN2O2C16H24 |
AB2C2D16E24 |
-79.41 |
2.21 |
-9.14 |
-0.42 |
0 |
|
|
421513 |
135116152 |
1 |
ON4C12H22 |
AB4C12D22 |
-26.69 |
2.79 |
-8.6 |
0.34 |
0 |
|
|
421514 |
135116153 |
1 |
N2O2F3H15C16 |
A2B2C3D15E16 |
-206.9 |
5.64 |
-9.08 |
-1.09 |
0 |
|
|
421515 |
135116154 |
1 |
O3N4C19H32 |
A3B4C19D32 |
-151.28 |
0.84 |
-9.3 |
0.42 |
0 |
|
|
421516 |
135116155 |
1 |
N2O2Cl3C16H17 |
A2B2C3D16E17 |
-95.7 |
6.13 |
-9.84 |
-1.18 |
0 |
|
|
421517 |
135116156 |
1 |
OF3N4H13C15 |
AB3C4D13E15 |
-116.02 |
8.64 |
-9.08 |
-1.07 |
0 |
|
|
421519 |
135116158 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-116.38 |
3.83 |
-9.24 |
-0.44 |
0 |
|
|
421520 |
135116159 |
1 |
O3N5C22H27 |
A3B5C22D27 |
-20.0 |
5.35 |
-8.97 |
-0.74 |
0 |
|
|
421521 |
135116160 |
1 |
NSO4C21H23 |
ABC4D21E23 |
-123.79 |
5.98 |
-9.2 |
-1.13 |
0 |
|
|
421522 |
135116161 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-97.96 |
5.28 |
-8.7 |
-1.16 |
0 |
|
|
421523 |
135116162 |
1 |
ON5H21C23 |
AB5C21D23 |
100.08 |
2.79 |
-9.11 |
-0.73 |
0 |
|
|
421524 |
135116163 |
1 |
N3O7C31H35 |
A3B7C31D35 |
-186.12 |
3.33 |
-8.33 |
-0.63 |
0 |
|
|
421525 |
135116164 |
1 |
ON2C18H28 |
AB2C18D28 |
-38.16 |
3.79 |
-8.6 |
0.38 |
0 |
|
|
421526 |
135116165 |
1 |
NO4C19H27 |
AB4C19D27 |
-160.16 |
4.55 |
-8.95 |
0.19 |
0 |
|
|
421527 |
135116166 |
1 |
N2O5C19H26 |
A2B5C19D26 |
-198.45 |
6.83 |
-8.85 |
0.1 |
0 |
|
|
421528 |
135116167 |
1 |
SO6N9C38H47 |
AB6C9D38E47 |
-175.9 |
7.63 |
-8.38 |
-0.73 |
0 |
|
|
421529 |
135116168 |
1 |
NO5C17H19 |
AB5C17D19 |
-177.74 |
6.86 |
-10.02 |
-0.89 |
0 |
|
|
421530 |
135116169 |
1 |
NO7C18H21 |
AB7C18D21 |
-250.16 |
3.53 |
-8.72 |
-0.42 |
0 |
|
|
421531 |
135116170 |
1 |
NO3C17H25 |
AB3C17D25 |
-146.7 |
2.96 |
-9.31 |
0.22 |
0 |
|
|
421532 |
135116171 |
1 |
FO3N4C20H25 |
AB3C4D20E25 |
-95.02 |
5.07 |
-9.1 |
-0.26 |
0 |
|
|
421533 |
135116172 |
1 |
N2O3C22H32 |
A2B3C22D32 |
-124.95 |
6.46 |
-8.86 |
0.11 |
0 |
|
|
421534 |
135116173 |
1 |
F2N2O3C20H26 |
A2B2C3D20E26 |
-136.85 |
6.92 |
-8.95 |
-0.32 |
0 |
|
|
421535 |
135116174 |
1 |
NSO4C21H27 |
ABC4D21E27 |
-151.09 |
7.28 |
-9.03 |
-0.92 |
0 |
|
|
421536 |
135116175 |
1 |
SO6N8C35H46 |
AB6C8D35E46 |
-185.07 |
10.65 |
-8.54 |
-1.2 |
0 |
|
|
421537 |
135116179 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-103.26 |
4.18 |
-8.51 |
-0.08 |
0 |
|
|
421538 |
135116180 |
1 |
O2N5C17H27 |
A2B5C17D27 |
-60.02 |
7.89 |
-8.52 |
0.05 |
0 |
|
|
421539 |
135116181 |
1 |
NO7H15C16 |
AB7C15D16 |
-228.84 |
7.95 |
-9.25 |
-0.94 |
0 |
|
|
421540 |
135116182 |
1 |
O4N5C21H31 |
A4B5C21D31 |
-165.54 |
8.35 |
-9.48 |
-0.59 |
0 |
|
|
421541 |
135116183 |
1 |
O3N4C18H26 |
A3B4C18D26 |
-82.79 |
1.91 |
-8.7 |
0.14 |
0 |
|
|
421542 |
135116184 |
1 |
O2N5C18H21 |
A2B5C18D21 |
36.49 |
3.29 |
-9.35 |
-0.78 |
0 |
|
|
421543 |
135116185 |
1 |
ON4C20H22 |
AB4C20D22 |
34.54 |
3.4 |
-8.46 |
-0.5 |
0 |
|
|
421544 |
135116186 |
1 |
O2N3C23H25 |
A2B3C23D25 |
-35.38 |
4.28 |
-8.46 |
-0.36 |
0 |
|
|
421545 |
135116187 |
1 |
N5C14H27 |
A5B14C27 |
12.59 |
4.36 |
-8.54 |
0.27 |
0 |
|
|
421546 |
135116188 |
1 |
ON4C21H28 |
AB4C21D28 |
1.43 |
3.01 |
-8.75 |
-0.06 |
0 |
|
|
421547 |
135116189 |
1 |
ClN3O4C16H22 |
AB3C4D16E22 |
-173.72 |
2.4 |
-9.08 |
-1.16 |
0 |
|
|
421548 |
135116191 |
1 |
NSO4C20H21 |
ABC4D20E21 |
-109.2 |
4.55 |
-8.85 |
-0.36 |
0 |
|
|
421549 |
135116192 |
1 |
FSN4O4C32H39 |
ABC4D4E32F39 |
-137.11 |
1.71 |
-8.87 |
-0.83 |
0 |
|
|
421550 |
135116194 |
1 |
FN3O3C17H20 |
AB3C3D17E20 |
-126.77 |
5.48 |
-9.34 |
-0.35 |
0 |
|
|
421551 |
135116195 |
1 |
FON2C20H25 |
ABC2D20E25 |
-80.51 |
7.07 |
-8.16 |
-0.27 |
0 |
|
|
421552 |
135116196 |
1 |
O3N4C21H32 |
A3B4C21D32 |
-82.07 |
4.96 |
-8.66 |
0.06 |
0 |
|
|
421553 |
135116197 |
1 |
N3O3H15C17 |
A3B3C15D17 |
-27.46 |
1.47 |
-9.27 |
-0.76 |
0 |
|
|
421554 |
135116198 |
1 |
ON4C23H32 |
AB4C23D32 |
-8.02 |
4.94 |
-8.62 |
-0.28 |
0 |
|
|
421555 |
135116200 |
1 |
NO3C19H27 |
AB3C19D27 |
-126.5 |
2.58 |
-8.82 |
0.32 |
0 |
|
|
421556 |
135116201 |
1 |
O4N5C21H31 |
A4B5C21D31 |
-169.1 |
2.36 |
-9.68 |
-0.51 |
0 |
|
|
421557 |
135116202 |
1 |
F2N2O3C16H20 |
A2B2C3D16E20 |
-181.45 |
5.5 |
-9.07 |
-0.58 |
0 |
|
|
421558 |
135116203 |
1 |
N5O6C33H45 |
A5B6C33D45 |
-238.51 |
10.63 |
-8.67 |
0.03 |
0 |
|
|
421559 |
135116206 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-48.94 |
4.71 |
-9.07 |
-0.6 |
0 |
|
|
421560 |
135116207 |
1 |
N3O3C16H23 |
A3B3C16D23 |
-111.76 |
7.33 |
-9.06 |
-0.91 |
0 |
|
|
421561 |
135116208 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-67.75 |
4.74 |
-9.12 |
-0.06 |
0 |
|
|
421562 |
135116209 |
1 |
NO2C19H29 |
AB2C19D29 |
-103.11 |
2.07 |
-8.42 |
0.34 |
0 |
|
|
421563 |
135116210 |
1 |
N6O7C35H48 |
A6B7C35D48 |
-277.83 |
11.13 |
-9.23 |
0.1 |
0 |
|
|
421564 |
135116236 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-81.37 |
4.71 |
-8.26 |
0.19 |
0 |
|
|
421565 |
135116237 |
1 |
OCl2N2C19H28 |
AB2C2D19E28 |
-46.92 |
5.18 |
-8.68 |
-0.36 |
0 |
|
|
421566 |
135116238 |
1 |
NO5H23C24 |
AB5C23D24 |
-134.2 |
2.8 |
-8.9 |
-0.89 |
0 |
|
|
421567 |
135116239 |
1 |
O3N4C15H20 |
A3B4C15D20 |
-82.52 |
5.26 |
-9.38 |
-0.43 |
0 |
|
|
421568 |
135116240 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-62.75 |
3.57 |
-9.2 |
-0.08 |
0 |
|
|
421569 |
135116241 |
1 |
FSN2O5C15H21 |
ABC2D5E15F21 |
-229.16 |
3.51 |
-9.48 |
-0.19 |
0 |
|
|
421570 |
135116245 |
1 |
O4N7C33H39 |
A4B7C33D39 |
-46.19 |
2.12 |
-8.83 |
-0.69 |
0 |
|
|
421571 |
135116247 |
1 |
N3O3C22H31 |
A3B3C22D31 |
-108.04 |
3.7 |
-8.63 |
-0.44 |
0 |
|
|
421572 |
135116248 |
1 |
N2O5C21H28 |
A2B5C21D28 |
-193.81 |
1.86 |
-8.31 |
0.09 |
0 |
|
|
421573 |
135116249 |
1 |
ON4C22H26 |
AB4C22D26 |
42.5 |
4.0 |
-8.9 |
-0.07 |
0 |
|
|
421574 |
135116250 |
1 |
SN2O3C21H28 |
AB2C3D21E28 |
-95.38 |
7.07 |
-8.56 |
-0.51 |
0 |
|
|
421575 |
135116251 |
1 |
FN2O3C18H25 |
AB2C3D18E25 |
-168.95 |
2.77 |
-8.95 |
-0.39 |
0 |
|
|
421576 |
135116252 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-82.08 |
8.16 |
-8.62 |
-0.33 |
0 |
|
|
421577 |
135116253 |
1 |
N2O4C21H32 |
A2B4C21D32 |
-162.8 |
2.07 |
-8.4 |
0.05 |
0 |