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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
73952 |
48421274 |
1 |
O2N6C13H14 |
A2B6C13D14 |
-15.22 |
5.88 |
-8.43 |
-0.42 |
0 |
|
|
73953 |
48421275 |
1 |
N2O3H16C19 |
A2B3C16D19 |
-17.84 |
4.66 |
-8.55 |
-0.89 |
0 |
|
|
73954 |
48421276 |
1 |
NO4H15C17 |
AB4C15D17 |
-106.66 |
4.38 |
-8.49 |
-0.36 |
0 |
|
|
73955 |
48421277 |
1 |
SN2O4C18H20 |
AB2C4D18E20 |
-117.43 |
4.4 |
-8.67 |
-0.76 |
0 |
|
|
73956 |
48421278 |
1 |
N2O5C19H20 |
A2B5C19D20 |
-185.16 |
6.19 |
-8.84 |
-0.55 |
0 |
|
|
73957 |
48421280 |
1 |
N2O3C24H24 |
A2B3C24D24 |
-69.26 |
9.94 |
-8.15 |
-0.28 |
0 |
|
|
73958 |
48421281 |
1 |
FNO4H20C24 |
ABC4D20E24 |
-142.19 |
5.13 |
-8.44 |
-0.58 |
0 |
|
|
73959 |
48421282 |
1 |
NO3C19H21 |
AB3C19D21 |
-96.38 |
4.22 |
-8.5 |
-0.2 |
0 |
|
|
73960 |
48421283 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-135.48 |
4.9 |
-8.6 |
-0.28 |
0 |
|
|
73961 |
48421284 |
1 |
N3O3H17C19 |
A3B3C17D19 |
-15.25 |
3.12 |
-8.72 |
-0.89 |
0 |
|
|
73962 |
48421285 |
1 |
BrN3O3H14C18 |
AB3C3D14E18 |
-19.66 |
3.35 |
-8.73 |
-1.5 |
0 |
|
|
73963 |
48421287 |
1 |
BrN3O4H12C16 |
AB3C4D12E16 |
-39.74 |
4.69 |
-8.68 |
-1.5 |
0 |
|
|
73964 |
48421288 |
1 |
NO3C18H19 |
AB3C18D19 |
-90.32 |
4.59 |
-8.51 |
-0.23 |
0 |
|
|
73965 |
48421289 |
1 |
NO3C18H19 |
AB3C18D19 |
-89.21 |
3.66 |
-8.54 |
-0.23 |
0 |
|
|
73966 |
48421291 |
1 |
ClNO3H16C17 |
ABC3D16E17 |
-91.95 |
3.26 |
-8.59 |
-0.3 |
0 |
|
|
73967 |
48421292 |
1 |
NO4C18H19 |
AB4C18D19 |
-119.74 |
4.58 |
-8.47 |
-0.24 |
0 |
|
|
73968 |
48421293 |
1 |
ClFNO2H13C16 |
ABCD2E13F16 |
-100.2 |
2.48 |
-8.6 |
-0.66 |
0 |
|
|
73969 |
48421294 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-76.52 |
10.08 |
-8.26 |
0.0 |
0 |
|
|
73970 |
48421295 |
1 |
SN2O3C22H22 |
AB2C3D22E22 |
-63.64 |
7.09 |
-8.43 |
-0.53 |
0 |
|
|
73971 |
48421296 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-99.73 |
7.41 |
-8.38 |
-0.16 |
0 |
|
|
73972 |
48421297 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-133.38 |
5.74 |
-8.52 |
-0.16 |
0 |
|
|
73973 |
48421298 |
2 |
NO2H7C8 |
AB2C7D8 |
-47.35 |
3.03 |
-8.76 |
-1.54 |
0 |
|
|
73974 |
48421299 |
1 |
NO2F3H14C17 |
AB2C3D14E17 |
-204.79 |
5.07 |
-8.56 |
-0.82 |
0 |
|
|
73975 |
48421301 |
3 |
ON2C6H8 |
AB2C6D8 |
-101.21 |
5.1 |
-8.34 |
0.4 |
0 |
|
|
73976 |
48421302 |
1 |
SO2N5C16H19 |
AB2C5D16E19 |
-40.94 |
4.96 |
-8.65 |
-0.38 |
0 |
|
|
73977 |
48421303 |
1 |
FNO3H16C17 |
ABC3D16E17 |
-124.13 |
4.02 |
-8.52 |
-0.22 |
0 |
|
|
73978 |
48421304 |
1 |
ClFON5C19H19 |
ABCD5E19F19 |
-10.3 |
8.96 |
-9.36 |
-1.17 |
0 |
|
|
73979 |
48421305 |
1 |
ClFON6C19H22 |
ABCD6E19F22 |
-6.81 |
6.29 |
-9.06 |
-1.07 |
0 |
|
|
73980 |
48421306 |
1 |
ClFON5C20H21 |
ABCD5E20F21 |
-14.03 |
3.32 |
-9.15 |
-0.79 |
0 |
|
|
73981 |
48421307 |
1 |
ClFO2N5C20H21 |
ABC2D5E20F21 |
-48.46 |
3.74 |
-8.73 |
-0.88 |
0 |
|
|
73982 |
48421308 |
1 |
ClFO2N4C21H22 |
ABC2D4E21F22 |
-62.07 |
9.14 |
-8.76 |
-1.04 |
0 |
|
|
73983 |
48421309 |
1 |
O3N7C14H21 |
A3B7C14D21 |
-83.71 |
8.39 |
-8.73 |
0.31 |
0 |
|
|
73984 |
48421310 |
2 |
ON3C7H11 |
AB3C7D11 |
-50.74 |
3.5 |
-8.49 |
0.66 |
0 |
|
|
73985 |
48421311 |
1 |
O2N5C14H19 |
A2B5C14D19 |
-54.52 |
7.78 |
-9.33 |
-0.1 |
0 |
|
|
73986 |
48421312 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-50.16 |
9.25 |
-9.46 |
-0.89 |
0 |
|
|
73987 |
48421313 |
1 |
O2N5C14H19 |
A2B5C14D19 |
-55.44 |
3.0 |
-9.07 |
-0.1 |
0 |
|
|
73988 |
48421314 |
1 |
N2O3H24C25 |
A2B3C24D25 |
-57.0 |
3.76 |
-8.69 |
-0.38 |
0 |
|
|
73989 |
48421316 |
1 |
O2N5C18H21 |
A2B5C18D21 |
-38.61 |
3.37 |
-8.75 |
-0.87 |
0 |
|
|
73990 |
48421317 |
1 |
ClO4N5C15H18 |
AB4C5D15E18 |
-78.71 |
8.61 |
-9.54 |
-1.41 |
0 |
|
|
73991 |
48421318 |
1 |
O2N7C17H21 |
A2B7C17D21 |
-3.45 |
5.28 |
-8.78 |
-0.84 |
0 |
|
|
73992 |
48421319 |
1 |
SO2N7C16H19 |
AB2C7D16E19 |
6.64 |
2.71 |
-9.24 |
-1.32 |
0 |
|
|
73993 |
48421322 |
2 |
ON3C7H11 |
AB3C7D11 |
-49.99 |
6.89 |
-8.97 |
0.28 |
0 |
|
|
73994 |
48421323 |
1 |
O2N5C15H21 |
A2B5C15D21 |
-59.39 |
6.5 |
-9.15 |
-0.18 |
0 |
|
|
73995 |
48421325 |
1 |
O2N8C17H22 |
A2B8C17D22 |
7.79 |
16.46 |
-8.9 |
-0.73 |
0 |
|
|
73996 |
48421326 |
2 |
ON4C8H10 |
AB4C8D10 |
4.8 |
13.07 |
-8.94 |
-0.89 |
0 |
|
|
73997 |
48421327 |
1 |
O3N6C17H20 |
A3B6C17D20 |
-51.09 |
4.38 |
-9.15 |
-1.11 |
0 |
|
|
73998 |
48421329 |
1 |
O3N4C16H22 |
A3B4C16D22 |
-108.18 |
7.21 |
-8.44 |
0.4 |
0 |
|
|
73999 |
48421330 |
1 |
Cl2O2N4C15H18 |
A2B2C4D15E18 |
-78.07 |
7.19 |
-8.98 |
-0.49 |
0 |
|
|
74000 |
48421331 |
1 |
O4N5C15H19 |
A4B5C15D19 |
-75.99 |
6.12 |
-9.4 |
-1.41 |
0 |
|
|
74001 |
48421334 |
1 |
O3N4C15H20 |
A3B4C15D20 |
-106.1 |
4.42 |
-9.38 |
-0.29 |
0 |
|
|
74002 |
48421335 |
4 |
NOC4H5 |
ABC4D5 |
-125.76 |
5.57 |
-8.44 |
-0.09 |
0 |
|
|
74003 |
48421336 |
1 |
ON4C16H26 |
AB4C16D26 |
-34.23 |
1.82 |
-8.48 |
0.67 |
0 |
|
|
74004 |
48421337 |
1 |
SO2N5C16H21 |
AB2C5D16E21 |
-43.82 |
9.47 |
-8.84 |
-0.53 |
0 |
|
|
74005 |
48421338 |
2 |
ON2C10H14 |
AB2C10D14 |
-90.05 |
3.07 |
-8.59 |
0.14 |
0 |
|
|
74006 |
48421340 |
1 |
O2N5C16H25 |
A2B5C16D25 |
-73.06 |
4.84 |
-8.73 |
0.28 |
0 |
|
|
74007 |
48421342 |
1 |
OSN5C18H23 |
ABC5D18E23 |
10.04 |
5.27 |
-8.99 |
-0.92 |
0 |
|
|
74008 |
48421343 |
1 |
O2N3C17H25 |
A2B3C17D25 |
-82.79 |
2.4 |
-8.65 |
-0.22 |
0 |
|
|
74009 |
48421344 |
1 |
SO4N5C16H23 |
AB4C5D16E23 |
-147.02 |
5.21 |
-9.03 |
-0.43 |
0 |
|
|
74010 |
48421346 |
1 |
ON3C17H25 |
AB3C17D25 |
-46.94 |
2.51 |
-8.87 |
-0.04 |
0 |
|
|
74011 |
48421351 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-119.11 |
2.62 |
-8.5 |
0.27 |
0 |
|
|
74012 |
48421352 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-125.76 |
5.69 |
-9.07 |
-0.55 |
0 |
|
|
74013 |
48421354 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-61.03 |
3.74 |
-9.32 |
-1.3 |
0 |
|
|
74014 |
48421355 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-116.18 |
3.01 |
-8.38 |
-0.13 |
0 |
|
|
74015 |
48421356 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-72.0 |
4.43 |
-9.5 |
-0.82 |
0 |
|
|
74016 |
48421357 |
1 |
SO2N3C13H17 |
AB2C3D13E17 |
-52.52 |
3.7 |
-8.96 |
-0.58 |
0 |
|
|
74017 |
48421358 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-71.47 |
3.72 |
-9.16 |
-0.18 |
0 |
|
|
74018 |
48421359 |
1 |
O3N5C11H19 |
A3B5C11D19 |
-102.52 |
4.98 |
-8.85 |
0.06 |
0 |
|
|
74019 |
48421360 |
1 |
O2N3C15H19 |
A2B3C15D19 |
-58.33 |
6.05 |
-8.47 |
-0.62 |
0 |
|
|
74020 |
48421361 |
1 |
ClN3O4C12H16 |
AB3C4D12E16 |
-100.12 |
9.3 |
-9.52 |
-1.39 |
0 |
|
|
74021 |
48421362 |
1 |
N3O3C17H27 |
A3B3C17D27 |
-148.16 |
6.65 |
-8.95 |
-0.2 |
0 |
|
|
74022 |
48421364 |
1 |
O2N5C14H19 |
A2B5C14D19 |
-21.75 |
2.97 |
-8.85 |
-0.85 |
0 |
|
|
74023 |
48421365 |
1 |
SO2N5C13H17 |
AB2C5D13E17 |
-10.16 |
3.61 |
-9.47 |
-1.35 |
0 |
|
|
74024 |
48421366 |
2 |
NO2C7H10 |
AB2C7D10 |
-151.85 |
3.85 |
-8.73 |
-0.09 |
0 |
|
|
74025 |
48421368 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-80.6 |
2.27 |
-9.16 |
-0.22 |
0 |
|
|
74026 |
48421369 |
1 |
SO2N4C8H14 |
AB2C4D8E14 |
-43.86 |
8.13 |
-9.45 |
-0.88 |
0 |
|
|
74027 |
48421370 |
1 |
SO2N4C11H20 |
AB2C4D11E20 |
-75.56 |
7.98 |
-8.96 |
-0.16 |
0 |
|
|
74028 |
48421371 |
2 |
ON3C7H10 |
AB3C7D10 |
-9.54 |
10.43 |
-9.17 |
-0.96 |
0 |
|
|
74029 |
48421372 |
1 |
O2N6C13H18 |
A2B6C13D18 |
-14.47 |
8.87 |
-8.95 |
-0.93 |
0 |
|
|
74030 |
48421373 |
1 |
O3N4C14H18 |
A3B4C14D18 |
-68.68 |
7.41 |
-9.04 |
-1.03 |
0 |
|
|
74031 |
48421374 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-96.0 |
4.4 |
-8.54 |
0.38 |
0 |
|
|
74032 |
48421375 |
1 |
N2O3C13H20 |
A2B3C13D20 |
-126.25 |
2.86 |
-8.7 |
0.16 |
0 |
|
|
74033 |
48421376 |
2 |
ClNOC6H8 |
ABCD6E8 |
-101.98 |
8.86 |
-8.71 |
-0.23 |
0 |
|
|
74034 |
48421377 |
1 |
N3O4C12H17 |
A3B4C12D17 |
-93.78 |
2.22 |
-9.45 |
-1.42 |
0 |
|
|
74035 |
48421378 |
1 |
ClN2O2C13H19 |
AB2C2D13E19 |
-105.09 |
5.48 |
-8.6 |
0.06 |
0 |
|
|
74036 |
48421379 |
1 |
N2O4C13H18 |
A2B4C13D18 |
-148.89 |
3.22 |
-8.35 |
0.01 |
0 |
|
|
74037 |
48421380 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-75.74 |
5.67 |
-9.41 |
-0.17 |
0 |
|
|
74038 |
48421381 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-117.8 |
4.62 |
-8.59 |
0.11 |
0 |
|
|
74039 |
48421382 |
1 |
N3O4C23H25 |
A3B4C23D25 |
-71.11 |
6.8 |
-9.55 |
-0.87 |
0 |
|
|
74040 |
48421384 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-68.95 |
4.05 |
-9.42 |
-0.08 |
0 |
|
|
74041 |
48421385 |
1 |
O4N5C17H23 |
A4B5C17D23 |
-104.19 |
5.35 |
-8.96 |
0.1 |
0 |
|
|
74042 |
48421386 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-56.85 |
4.43 |
-8.66 |
-0.79 |
0 |
|
|
74043 |
48421387 |
1 |
ClN3O5C18H20 |
AB3C5D18E20 |
-94.82 |
8.9 |
-9.55 |
-1.48 |
0 |
|
|
74044 |
48421388 |
1 |
N2O5C22H24 |
A2B5C22D24 |
-158.27 |
7.68 |
-8.97 |
-0.83 |
0 |
|
|
74045 |
48421389 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-22.42 |
3.27 |
-8.81 |
-0.78 |
0 |
|
|
74046 |
48421390 |
1 |
SO3N5C19H21 |
AB3C5D19E21 |
-12.15 |
3.21 |
-9.23 |
-1.3 |
0 |
|
|
74047 |
48421391 |
1 |
SO3N4C14H18 |
AB3C4D14E18 |
-46.52 |
8.97 |
-9.44 |
-0.85 |
0 |
|
|
74048 |
48421392 |
1 |
SO2N3C15H19 |
AB2C3D15E19 |
-46.05 |
5.37 |
-8.46 |
-0.3 |
0 |
|
|
74049 |
48421394 |
1 |
SN3O4C13H21 |
AB3C4D13E21 |
-165.85 |
5.97 |
-8.92 |
-0.38 |
0 |
|
|
74050 |
48421395 |
1 |
N3O4C23H31 |
A3B4C23D31 |
-150.99 |
4.47 |
-8.87 |
-0.14 |
0 |
|
|
74051 |
48421397 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-76.3 |
3.82 |
-9.03 |
-0.18 |
0 |