# reaction mass delta signatures

- Examples using ModelSeed universal model
- Minghao Gong, 04-14-2022

```python
!pip install --upgrade metDataModel
!pip install --upgrade numpy
!pip install --upgrade mass2chem

!pip install cobra
```

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```python
import sys
sys.path.append("/Users/gongm/Documents/projects/mass2chem/")
```

```python
import cobra
from metDataModel.core import Compound, Reaction, Pathway
from mass2chem.formula import *
```

## Switching to MG's JSON model

after parsing and formula-mass calculation.

Example of model conversion - ?

```python
import json
from operator import itemgetter
```

```python
# JSON models are in JMS repo
M = json.load(open('../output/ModelSeed/Universal_ModelSeed.json'))
```

```python
M.keys()
```

    dict_keys(['id', 'list_of_reactions', 'list_of_compounds', 'list_of_pathways', 'meta_data'])

```python
[print(x) for x in [
    M['meta_data'],
    len(M['list_of_reactions']),
    M['list_of_reactions'][222],
    len(M['list_of_compounds']),
    M['list_of_compounds'][1000], ]
]
```

    {'species': 'universal', 'version': '', 'sources': ['https://github.com/ModelSEED/ModelSEEDDatabase/blob/master/Biochemistry/, retrieved 2022-04-13'], 'status': '', 'last_update': '20220413', 'note': 'ModelSeed Universal Model. Add all reactions and compounds, '}
    38269
    {'id': 'rxn00228', 'reactants': ['cpd00001', 'cpd03385'], 'products': ['cpd00009', 'cpd00029'], 'genes': [], 'enzymes': ['3.11.1.2']}
    33992
    {'id': 'cpd01021', 'name': 'Glu-Glu; Glutamyl-glutamic acid; L-alpha-Glutamyl-L-glutamic acid; L-glutamyl-L-glutamate; glu-glu', 'identifiers': [['KEGG', 'C01425'], ['MetaCyc', 'CPD-13219'], ['inchikey', 'KOSRFJWDECSPRO-WDSKDSINSA-L']], 'neutral_formula': 'C10H16N2O7', 'charge': -2, 'charged_formula': 'C10H14N2O7', 'neutral_mono_mass': 276.095751, 'SMILES': '[NH3+][C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]', 'inchi': ''}

    [None, None, None, None, None]

```python
M['list_of_compounds'][300: 302]
```

    [{'id': 'cpd00304',
      'name': 'Retinal; Retinene; Vitamin A aldehyde; all-trans-Retinal; all-trans-Retinene; all-trans-Vitamin A aldehyde; all-trans-retinal; all-trans-retinene; axerophthal; retinal; retinaldehyde; retinene; vitamin A aldehyde',
      'identifiers': [['AraCyc', 'RETINAL'],
       ['BiGG', 'retinal'],
       ['BrachyCyc', 'RETINAL'],
       ['KEGG', 'C00376'],
       ['MetaCyc', 'RETINAL'],
       ['inchikey', 'NCYCYZXNIZJOKI-OVSJKPMPSA-N']],
      'neutral_formula': 'C20H28O',
      'charge': 0,
      'charged_formula': 'C20H28O',
      'neutral_mono_mass': 284.214016,
      'SMILES': 'CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1',
      'inchi': ''},
     {'id': 'cpd00305',
      'name': 'Aneurin; Antiberiberi factor; THI; Thiamin; Thiamine; Vitamin B1; thiamin; thiamine; vitamin B1',
      'identifiers': [['AraCyc', 'THIAMINE'],
       ['BiGG', 'thm'],
       ['BrachyCyc', 'THIAMINE'],
       ['KEGG', 'C00378'],
       ['MetaCyc', 'THIAMINE'],
       ['inchikey', 'JZRWCGZRTZMZEH-UHFFFAOYSA-N']],
      'neutral_formula': 'C12H16N4OS',
      'charge': 1,
      'charged_formula': 'C12H17N4OS',
      'neutral_mono_mass': 264.104482,
      'SMILES': 'Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1',
      'inchi': ''}]

```python
# index metabolites, and add calculated charged_formula_mass via mass2chem.formula.calculate_formula_mass
cpdDict = {}
for C in M['list_of_compounds']:
    if C['neutral_mono_mass']:
        cpdDict[C['id']] = C
    else:
        print(C['id'], C['charged_formula'])
```

    cpd00049 CO2R
    cpd00057 HOR
    cpd00109 C42H42FeN8O8R4S2
    cpd00110 C42H42FeN8O8R4S2
    cpd00124 C5H9O7PR
    cpd00148 C5H8O7PR
    cpd00167 C19H36NO3R
    cpd00173 C5H9O13P3R
    cpd00181 C53H82CoN11O14PR2
    cpd00195 CH3OR
    cpd00354 C5H9O10P2R
    cpd00375 C7H6NOR
    cpd00410 C42H42FeN8O8R4S2
    cpd00431 C24H48N2O6PR
    cpd00459 C10H15NO9R
    cpd00468 C5H8O6PR
    cpd00487 C3H4O2R
    cpd00512 C5H8O6PR
    cpd00513 C5H8O6PR
    cpd00514 C5H9O12P3R
    cpd00542 CNR
    cpd00560 W
    cpd00595 C5H9O4R
    cpd00676 C5H9O4R
    cpd00710 C6H11O6R
    cpd00716 C3H2O3R
    cpd00748 C5H8O7PR
    cpd00753 C3H6NO2R
    cpd00783 C19H26N4O16PR
    cpd00821 C5H8O7PR
    cpd00839 C6H11O6R
    cpd00846 C5H9O7PR
    cpd00878 C25H46NO8R
    cpd00883 C10H14NO12PR
    cpd00889 C7H14N3O3R2
    cpd00913 C5H7O6PR
    cpd00941 C27H51NO8PR
    cpd00947 C31H56NO13R
    cpd00959 C20H34NO15R
    cpd00970 C5H8O7PR
    cpd00975 HgR
    cpd00987 C11H11N2O2R
    cpd01039 C8H10N4O3R
    cpd01125 C11H18O14P2R2
    cpd01226 C6H13NO2R
    cpd01236 C54H69MgN4O5R
    cpd01240 C6H11O6R
    cpd01248 C2H2O2R
    cpd01297 C4H7O4R
    cpd01299 H3NR
    cpd01305 C31H43O8R
    cpd01315 C6H11O6R
    cpd01323 C2HO2R
    cpd01326 C21H37N2O17P2R3
    cpd01364 C5H9O7PR
    cpd01377 C6H13NO2R
    cpd01431 C4H7O4R
    cpd01452 C5H9O4R
    cpd01453 C5H9O5R
    cpd01469 C5H8O7PR
    cpd01529 C5H9O3R
    cpd01601 C62H89CoN13O15PR
    cpd01611 C7H13N2O3R
    cpd01626 C5H9O5R
    cpd01649 C5H8O7PR
    cpd01659 C5H8O7PR
    cpd01664 C28H45O2R
    cpd01729 CH2NOR
    cpd01743 C25H46NO8R
    cpd01744 C4H7O4R
    cpd01748 C6H13N3O3R
    cpd01759 C5H4NO5R
    cpd01760 C6H8N2O4R
    cpd01814 C9H10N3O5R2
    cpd01899 C19H35NO6PR
    cpd01913 C9H14N4O5R2
    cpd01922 C2H4NOR
    cpd01978 C6H6NR
    cpd01986 C7H7N3O3R
    cpd02000 C3H7O6PR
    cpd02002 C6H5R
    cpd02017 C8H15ClN2O2R
    cpd02055 C5H9O3R
    cpd02088 C45H79N2O23R
    cpd02111 C11H9O2R
    cpd02149 C2H3O2R
    cpd02157 C42H74N5O18R
    cpd02163 C5H8O7PR
    cpd02164 C5H8O7PR
    cpd02165 C19H35NO3R2
    cpd02217 C8H14NO6R
    cpd02236 C26H50N5O13PR
    cpd02237 C22H47N5O15PR
    cpd02248 C31H45O8R
    cpd02251 C5H9O7PR
    cpd02256 C18H27O2R
    cpd02270 C5H8O6PR
    cpd02271 C6H11O5R
    cpd02282 C27H51NO8PR
    cpd02290 C5H9N2O3R
    cpd02323 C29H54NO8R
    cpd02355 C5H9O7PR
    cpd02379 C5H9O13P3R
    cpd02422 C25H49NO8PR
    cpd02486 C6H10O9PR
    cpd02589 C5H7O6PR
    cpd02601 C9H19NO7PR
    cpd02602 C5H9O9P2R
    cpd02603 C9H19NO7PR
    cpd02627 C5H9O12P3R
    cpd02634 C5H8O13P3R
    cpd02647 C10H17O9R
    cpd02649 C8H19NO6PR
    cpd02676 C11H18NO11PR2
    cpd02687 C19H30N3O11R3
    cpd02710 C11H15N5O4R2
    cpd02743 C8H14NO6R
    cpd02749 C10H21NO6PR
    cpd02803 C10H21NO7PR
    cpd02811 C12H21O11R
    cpd02822 C7H15NO6PR
    cpd02823 C27H49NO8PR
    cpd02831 C12H21O14PR
    cpd02833 C12H21O10R
    cpd02838 C14H24NO11R
    cpd02858 C12H17N5O4R2
    cpd02866 C26H48NO9R
    cpd02885 C37H66NO18R
    cpd02888 C42H72N2O21R
    cpd02895 C37H66NO18R
    cpd02902 C18H31O16R
    cpd02903 C18H29N3O13R2
    cpd02909 C14H24NO14PR
    cpd02910 C14H24NO11R
    cpd02911 C27H51NO9PR
    cpd02926 C14H24NO11R
    cpd02942 C39H69N2O18R
    cpd02947 C20H34NO15R
    cpd02950 C20H34NO16R
    cpd02966 C20H34NO16R
    cpd02970 C25H40N2O19R
    cpd02972 C28H43N2O22R
    cpd02974 C22H37N2O16R
    cpd02975 C22H37N2O16R
    cpd02976 C22H37N2O16R
    cpd02982 C28H44N3O20R3
    cpd02983 C22H37N2O16R
    cpd02986 C22H37N2O16R
    cpd02987 C25H40N2O19R
    cpd02989 C45H79N2O23R
    cpd02990 C26H44NO21R
    cpd02992 C24H40N3O16R
    cpd02994 C45H79N2O23R
    cpd02996 C50H85N3O26R
    cpd02997 C53H92N3O28R
    cpd02998 C36H56N3O27R
    cpd02999 C67H111N4O39R
    cpd03000 C30H50N3O21R
    cpd03003 C30H50N3O21R
    cpd03004 C56H95N3O31R
    cpd03005 C34H57N2O26R
    cpd03006 C53H92N3O28R
    cpd03007 C53H92N3O28R
    cpd03008 C34H57N2O26R
    cpd03009 C6H11O6R
    cpd03010 C28H47N2O21R
    cpd03011 C20H34NO16R
    cpd03015 C38H35FeN6O6R2S
    cpd03022 C5H9O7PR
    cpd03072 C28H47N2O21R
    cpd03077 C2H4NO2R
    cpd03097 C28H49NO7PR
    cpd03098 C5H13NO6PR
    cpd03099 C25H43NO7PR
    cpd03101 C3H4N2O3R
    cpd03290 C13H24N3O8R2
    cpd03384 C21H42N2O5PR
    cpd03424 C62H91CoN13O14PR
    cpd03510 C20H28R
    cpd03511 C20H28R
    cpd03512 C20H28R
    cpd03513 C20H28R
    cpd03516 C20H26R
    cpd03556 C12H24N2O14P2R2
    cpd03557 C6H13NO7PR
    cpd03558 C7H12NO9PR
    cpd03580 C2H2OR
    cpd03602 CH2NOR
    cpd03610 NO2R
    cpd03611 CH3N2R
    cpd03612 H2NR
    cpd03613 C21H42N2O6PR
    cpd03652 C31H56NO13R
    cpd03653 C36H62N2O16R
    cpd03654 C53H88N3O29R
    cpd03655 C61H101N4O34R
    cpd03656 C39H69N2O18R
    cpd03657 C45H79N2O23R
    cpd03658 C78H127N5O47R
    cpd03659 C89H143N6O55R
    cpd03660 C78H127N5O47R
    cpd03661 C67H111N4O39R
    cpd03729 HO4PR
    cpd03739 C45H79N2O23R
    cpd03740 C45H79N2O23R
    cpd03741 C53H88N3O31R
    cpd03742 C64H104N4O37R
    cpd03743 C64H104N4O40R
    cpd03744 C61H101N4O36R
    cpd03798 C9H7O2R
    cpd03806 C6H8O7R
    cpd03810 C8H5NO3R
    cpd03811 H3NR
    cpd03814 C6H6NO5R
    cpd03815 C5H4NO5R
    cpd03823 C4H3O4R
    cpd03824 C3H4O2R
    cpd03863 CH2NO2R
    cpd03877 C2H3O2R
    cpd03895 C20H34NO15R
    cpd03996 C12H23NO14P2R
    cpd04254 H8Cl2N2Pt
    cpd04937 C7H5BiO4
    cpd05035 C25H45N14O15RS2
    cpd05140 C6H11AuO5S
    cpd08231 C25H40N2O19R
    cpd08239 C45H79N2O23R
    cpd08363 C3H4N2O3R
    cpd08364 C11H19O10R
    cpd08562 C7H10N2O4R
    cpd08627 C3H2O2R
    cpd08822 C37H51N12O14R
    cpd08908 C19H38NO3R
    cpd08927 C19H38NO4R
    cpd09044 C42H70N8O12R
    cpd09045 C37H51N12O14R
    cpd09046 C37H50N10O15R
    cpd09047 C44H68ClN14O17R
    cpd09081 C30H19N4O5R
    cpd09191 C20H12NO6R
    cpd09193 C19H22NO10RS
    cpd09323 C2H8N2O3Pt
    cpd09375 H2BiN3O9
    cpd09595 C104H204N32O46R2S5
    cpd09693 Ba
    cpd09720 C45H79N2O23R
    cpd09721 C50H87N2O27R
    cpd09722 C47H82N3O23R
    cpd09723 C55H95N4O28R
    cpd09724 C37H66NO18R
    cpd09725 C45H79N2O23R
    cpd09726 C53H92N3O28R
    cpd10919 ClTl
    cpd11159 H3Bi
    cpd11250 C15H12O5R2
    cpd11416 None
    cpd11420 C10H13N4O4R4S2
    cpd11421 C10H15N4O4R4S2
    cpd11422 C5H5O8PR2
    cpd11423 C5H6O5R2
    cpd11427 C14H17N3O15P2R2
    cpd11454 C8H11O13P2R2
    cpd11455 C8H11NO10PR2
    cpd11456 C7H12NO8PR2
    cpd11461 C15H23O13P2R3
    cpd11462 None
    cpd11463 C4H6N2O3R2
    cpd11464 C15H28N2O8PRS
    cpd11465 C15H25N2O8PRS
    cpd11466 C25H48N2O8PRS
    cpd11467 C25H45N2O8PRS
    cpd11468 C23H44N2O8PRS
    cpd11469 C23H41N2O8PRS
    cpd11470 C19H36N2O8PRS
    cpd11471 C19H34N2O8PRS
    cpd11472 C17H31N2O8PRS
    cpd11473 C17H29N2O8PRS
    cpd11474 C21H40N2O8PRS
    cpd11475 C21H37N2O8PRS
    cpd11476 C27H51N2O8PRS
    cpd11477 C27H49N2O8PRS
    cpd11478 C15H27N2O9PRS
    cpd11479 C17H31N2O9PRS
    cpd11480 C23H43N2O9PRS
    cpd11481 C27H49N2O9PRS
    cpd11482 C21H40N2O9PRS
    cpd11483 C19H36N2O9PRS
    cpd11484 C25H47N2O9PRS
    cpd11485 C27H50N2O9PRS
    cpd11486 C17H30N2O9PRS
    cpd11487 C21H38N2O9PRS
    cpd11488 C15H26N2O9PRS
    cpd11489 C23H42N2O9PRS
    cpd11490 C19H34N2O9PRS
    cpd11491 C25H46N2O9PRS
    cpd11492 C14H24N2O10PRS
    cpd11493 C11H22N2O7PRS
    cpd11494 C13H24N2O8PRS
    cpd11495 C16H29N2O8PRS
    cpd11496 C18H31N2O9PRS
    cpd11497 C18H33N2O9PRS
    cpd11498 C18H31N2O8PRS
    cpd11499 C18H33N2O8PRS
    cpd11500 C20H35N2O9PRS
    cpd11501 C20H37N2O9PRS
    cpd11502 C20H35N2O8PRS
    cpd11503 C20H37N2O8PRS
    cpd11504 C22H39N2O9PRS
    cpd11505 C22H41N2O9PRS
    cpd11506 C22H39N2O8PRS
    cpd11507 C22H41N2O8PRS
    cpd11508 C24H43N2O9PRS
    cpd11509 C24H45N2O9PRS
    cpd11510 C24H43N2O8PRS
    cpd11511 C24H45N2O8PRS
    cpd11512 C26H47N2O9PRS
    cpd11513 C26H49N2O9PRS
    cpd11514 C26H47N2O8PRS
    cpd11515 C26H49N2O8PRS
    cpd11516 C28H51N2O9PRS
    cpd11517 C28H53N2O9PRS
    cpd11518 C28H51N2O8PRS
    cpd11519 C28H53N2O8PRS
    cpd11520 C16H29N2O8PRS
    cpd11521 C18H31N2O9PRS
    cpd11522 C18H33N2O9PRS
    cpd11523 C18H31N2O8PRS
    cpd11524 C18H33N2O8PRS
    cpd11525 C20H35N2O9PRS
    cpd11526 C20H37N2O9PRS
    cpd11527 C20H35N2O8PRS
    cpd11528 C20H37N2O8PRS
    cpd11529 C22H39N2O9PRS
    cpd11530 C22H41N2O9PRS
    cpd11531 C22H39N2O8PRS
    cpd11532 C22H41N2O8PRS
    cpd11533 C24H43N2O9PRS
    cpd11534 C24H45N2O9PRS
    cpd11535 C24H43N2O8PRS
    cpd11536 C24H45N2O8PRS
    cpd11537 C26H47N2O9PRS
    cpd11538 C26H49N2O9PRS
    cpd11539 C26H47N2O8PRS
    cpd11540 C26H49N2O8PRS
    cpd11541 C28H51N2O9PRS
    cpd11542 C28H53N2O9PRS
    cpd11543 C28H51N2O8PRS
    cpd11544 C28H53N2O8PRS
    cpd11545 C15H27N2O8PRS
    cpd11546 C17H29N2O9PRS
    cpd11547 C17H31N2O9PRS
    cpd11548 C17H29N2O8PRS
    cpd11549 C17H31N2O8PRS
    cpd11550 C19H33N2O9PRS
    cpd11551 C19H35N2O9PRS
    cpd11552 C19H33N2O8PRS
    cpd11553 C19H35N2O8PRS
    cpd11554 C21H37N2O9PRS
    cpd11555 C21H39N2O9PRS
    cpd11556 C21H37N2O8PRS
    cpd11557 C21H39N2O8PRS
    cpd11558 C23H41N2O9PRS
    cpd11559 C23H43N2O9PRS
    cpd11560 C23H41N2O8PRS
    cpd11561 C23H43N2O8PRS
    cpd11562 C25H45N2O9PRS
    cpd11563 C25H47N2O9PRS
    cpd11564 C25H45N2O8PRS
    cpd11565 C25H47N2O8PRS
    cpd11566 C27H49N2O9PRS
    cpd11567 C27H51N2O9PRS
    cpd11568 C27H49N2O8PRS
    cpd11569 C27H51N2O8PRS
    cpd11570 C29H53N2O9PRS
    cpd11571 C29H55N2O9PRS
    cpd11572 C29H53N2O8PRS
    cpd11573 C29H55N2O8PRS
    cpd11594 C12H20O10R2
    cpd11601 C26H34O24R2
    cpd11608 C4H6N2O3R2
    cpd11609 H2NR
    cpd11611 C22H31N7O17P3RS
    cpd11612 C2H4NO2R
    cpd11613 C15H22O19P3R3
    cpd11614 None
    cpd11615 C15H23O16P2R3
    cpd11616 CHOR
    cpd11617 C4H6N2O3R2
    cpd11618 C4H6N2O3R2
    cpd11620 Fe2R4S6
    cpd11621 Fe2R4S6
    cpd11622 HRS
    cpd11623 C2H4NO2R
    cpd11624 C10H18NO8PR2
    cpd11625 C2O3R
    cpd11627 C15H21O22P4R3
    cpd11628 C3H4OR2S
    cpd11629 None
    cpd11630 C12H8N4O2R
    cpd11632 None
    cpd11633 C11H15N4O5R3
    cpd11634 None
    cpd11635 C15H23O16P2R3
    cpd11636 CH2NOR
    cpd11637 C24H33N7O18P3RS
    cpd11639 C15H23O19P4R3
    cpd11641 CO2R2
    cpd11644 None
    cpd11645 C18H36N3O10R2
    cpd11646 C6H7N3O4R3
    cpd11647 None
    cpd11648 None
    cpd11649 None
    cpd11650 CH3OR
    cpd11651 None
    cpd11652 C8H12O10PR2
    cpd11653 C3H4O2R
    cpd11655 C15H21O19P4R3
    cpd11656 C6H7N3O4R3
    cpd11657 C12H20O10R2
    cpd11658 C12H20O10R2
    cpd11659 C26H33N2O36R2S5
    cpd11660 CH5NR
    cpd11663 None
    cpd11664 C12H29N4O5R
    cpd11666 None
    cpd11667 None
    cpd11668 C9H10N2O4RS
    cpd11670 C14H20NO11R2
    cpd11671 C6H8N3O4R3
    cpd11673 C2H4NO2R
    cpd11674 C15H23O16P2R3
    cpd11676 None
    cpd11677 C6H5O6R3
    cpd11678 C14H17NO11R5
    cpd11679 CH2OR2
    cpd11680 C30H46O26P4R6
    cpd11681 None
    cpd11682 C15H21O22P4R3
    cpd11683 C8H13NO5R2
    cpd11684 R
    cpd11687 None
    cpd11688 C36H60O30R2
    cpd11689 None
    cpd11690 None
    cpd11692 None
    cpd11693 C2HO2R
    cpd11694 CO2R
    cpd11697 None
    cpd11698 None
    cpd11699 None
    cpd11700 None
    cpd11701 C28H43N2O29R2S3
    cpd11702 C6H11O5R
    cpd11703 C15H22O16P3R3
    cpd11704 C10H10N2O3R2
    cpd11705 None
    cpd11706 C6H11O6R
    cpd11707 C24H33N7O17P3RS
    cpd11708 C14H17NO11R5
    cpd11709 C3H5OR
    cpd11710 C7H14N5O2R2
    cpd11711 C6H7N2O4R2
    cpd11712 C7H8N4O2R2
    cpd11714 C7H12NO6R
    cpd11715 C11H16O13PR2
    cpd11716 C14H19NO14R2S
    cpd11717 C14H19NO14R2S
    cpd11718 C24H35N7O18P3RS
    cpd11719 None
    cpd11720 C5H10O7PR2
    cpd11721 None
    cpd11722 C24H33N7O17P3RS
    cpd11723 None
    cpd11724 None
    cpd11725 None
    cpd11726 C3H2O2R2S
    cpd11727 C7H11NO9PR
    cpd11728 C3H2OR2S
    cpd11729 C14H24NO11R
    cpd11730 None
    cpd11731 H2NR
    cpd11732 C10H15O8R5
    cpd11733 COR2
    cpd11734 C2H5O2R
    cpd11735 C6H10O5R2
    cpd11736 BrR
    cpd11737 C2H2OR2
    cpd11738 None
    cpd11740 None
    cpd11743 None
    cpd11744 None
    cpd11745 None
    cpd11746 C6H10O5R2
    cpd11747 None
    cpd11749 None
    cpd11750 C20H28R
    cpd11751 C10H12N5O3R
    cpd11752 None
    cpd11753 HRS
    cpd11754 None
    cpd11755 C20H26N5O16P3R2
    cpd11757 None
    cpd11758 None
    cpd11759 C4H6N2O3R2
    cpd11763 C19H26N3O17P3R2
    cpd11764 HOR
    cpd11765 C5H5O8PR3
    cpd11766 None
    cpd11767 C19H25N2O21P3R2
    cpd11768 C15H23O13P2R3
    cpd11769 C8H7N2O3R2S
    cpd11770 C18H29NO17P2R3
    cpd11771 C32H47N6O18R4
    cpd11773 H3NR
    cpd11775 None
    cpd11776 None
    cpd11777 C6H10O5R2
    cpd11778 None
    cpd11779 C12H15NO10R6
    cpd11780 C15H23O13P2R3
    cpd11781 C12H20O11R2
    cpd11783 C5H8O5R2
    cpd11784 None
    cpd11785 None
    cpd11786 None
    cpd11787 None
    cpd11788 None
    cpd11789 C11H20NO7PR2
    cpd11790 C15H22O19P3R3
    cpd11791 C6H10O5R2
    cpd11793 C2H4OR2
    cpd11795 None
    cpd11796 None
    cpd11797 None
    cpd11798 None
    cpd11800 None
    cpd11801 HO2R
    cpd11802 C5H9O5R
    cpd11803 None
    cpd11804 C15H24O4PR
    cpd11806 None
    cpd11809 None
    cpd11810 C2H4NOR2
    cpd11811 C5H7NOR2
    cpd11812 C24H35N7O18P3RS
    cpd11813 C24H33N7O17P3RS
    cpd11814 None
    cpd11815 None
    cpd11816 C4H6N2O3R2
    cpd11817 C4H6N2O3R2
    cpd11818 HO4PR
    cpd11819 None
    cpd11820 C10H9N2O6PR2
    cpd11822 C11H16O13PR2
    cpd11823 C15H23O16P2R3
    cpd11824 C15H23O16P2R3
    cpd11825 C29H53N2O8PRS
    cpd11826 C8H14NO6R
    cpd11827 C14H21O8PR3
    cpd11828 C3H2O2R2
    cpd11829 C8H14NO8PR2
    cpd11830 C9H20N2ORS2
    cpd11832 C4H5N2O6PR2
    cpd11833 C22H33N10O15P2R2
    cpd11834 C4H6N2O3R2
    cpd11835 C5H8O7PR
    cpd11836 C15H27N2O9PRS
    cpd11837 C11H15O16P2R2
    cpd11838 C10H10N2O3R2
    cpd11839 C19H29NO18PR2
    cpd11840 C4H5N2O6PR2
    cpd11841 C20H21N7O9PR2
    cpd11842 C16H27N2O11R
    cpd11843 C4H5N2O6PR2
    cpd11844 None
    cpd11845 IR
    cpd11846 R2
    cpd11847 ClR
    cpd11848 HOR
    cpd11849 HRS
    cpd11850 None
    cpd11852 None
    cpd11853 None
    cpd11854 C2H3O2R
    cpd11855 HR
    cpd11856 C2H2R2
    cpd11857 None
    cpd11859 C13H15N3O5R2
    cpd11860 None
    cpd11861 C2H2O2R2
    cpd11862 C12H18O9R2
    cpd11863 C7H6NOR
    cpd11864 None
    cpd11865 None
    cpd11866 C9H15N3O3R2
    cpd11867 None
    cpd11868 C7H12N2O3RS
    cpd11869 None
    cpd11871 C7H10N2O3R
    cpd11872 COR2
    cpd11873 C8H16N5O3R
    cpd11874 C8H15N3O3R
    cpd11875 C10H12N5O10P2R
    cpd11877 None
    cpd11878 None
    cpd11879 None
    cpd11881 C2H5O2R
    cpd11882 None
    cpd11883 None
    cpd11884 CH2R2S
    cpd11885 None
    cpd11886 None
    cpd11887 None
    cpd11889 None
    cpd11890 None
    cpd11891 C3H4N2O2R2
    cpd11892 None
    cpd11893 C14H21N5O4R2
    cpd11894 None
    cpd11895 None
    cpd11897 None
    cpd11898 C5H7O9P2R3
    cpd11899 None
    cpd11900 None
    cpd11901 CH2OR2
    cpd11902 HNO3RS
    cpd11903 O2RS
    cpd11904 C11H7O2R
    cpd11905 None
    cpd11906 C10H12N5O3R
    cpd11907 C10H12N5O3R
    cpd11908 C10H12N5O3R
    cpd11909 C10H12N5O3R
    cpd11910 C10H12N5O3R
    cpd11911 C10H12N5O3R
    cpd11912 C10H12N5O3R
    cpd11913 C10H12N5O3R
    cpd11914 C10H12N5O3R
    cpd11915 C10H12N5O3R
    cpd11916 C10H12N5O3R
    cpd11917 C10H12N5O3R
    cpd11918 C10H12N5O3R
    cpd11919 C10H12N5O3R
    cpd11920 C10H12N5O3R
    cpd11921 C10H12N5O3R
    cpd11922 C10H12N5O3R
    cpd11923 C10H12N5O3R
    cpd11924 C10H12N5O3R
    cpd11925 C6H10O5R2
    cpd11926 C4H4O3R
    cpd11927 CHNOR2
    cpd11928 CH2NOR
    cpd11929 H3NR
    cpd11931 None
    cpd11934 None
    cpd11935 None
    cpd11937 C10H10N2O3R2
    cpd11938 C2H2R2
    cpd11939 CH2O2R2
    cpd11940 None
    cpd11941 None
    cpd11942 None
    cpd11943 HgR2S2
    cpd11946 None
    cpd11947 C20H27N2O21P3R2
    cpd11948 C19H25N2O21P3R2
    cpd11949 C6H7O6R2
    cpd11950 C16H12N4O4R2
    cpd11951 C19H32N12O6R2
    cpd11953 C14H23N6O3R2
    cpd11954 None
    cpd11956 CH2OR2
    cpd11957 None
    cpd11958 None
    cpd11959 C19H35NO2R2S
    cpd11960 None
    cpd11962 None
    cpd11963 None
    cpd11964 CH2R2
    cpd11965 None
    cpd11966 C2H3O2R
    cpd11967 C26H43O2R
    cpd11969 CNR
    cpd11970 C10H16O8R2
    cpd11971 C6HOR5
    cpd11972 C6H10O5R2
    cpd11973 C10H16O13P2R2
    cpd11974 C19H42N5O7R2
    cpd11975 None
    cpd11976 C12H20O10R2
    cpd11977 None
    cpd11979 C18H27O2R
    cpd11980 C8H10N4O5R4
    cpd11982 None
    cpd11983 None
    cpd11984 HNO3PR2
    cpd11985 C20H26N5O20P3R2
    cpd11986 C27H37N5O22P3R2
    cpd11989 None
    cpd11990 C9H15N3O3R2
    cpd11991 O4RS
    cpd11992 None
    cpd11993 C15H8O5R2
    cpd11994 None
    cpd11995 None
    cpd11996 C8H10NO2R2
    cpd11997 None
    cpd11998 C6H11O6R
    cpd12001 C25H34N5O29P5R3
    cpd12002 C4H7N2O3R
    cpd12003 C26H39N6O17P2R2
    cpd12004 None
    cpd12005 C8H14NORS2
    cpd12006 None
    cpd12007 None
    cpd12008 C3H3NO3R
    cpd12009 C19H28N2O18P2R5
    cpd12010 H2NO3PR
    cpd12012 None
    cpd12013 C4H6N2O2R2
    cpd12014 None
    cpd12015 None
    cpd12017 C15H21O18P3R3
    cpd12018 C21H29O2R
    cpd12019 C6H11O5RS
    cpd12020 C9H14NO2R
    cpd12021 C7H13N3O3R
    cpd12022 C15H23O22P4R3
    cpd12023 None
    cpd12024 C2HO2R2
    cpd12025 None
    cpd12026 C4HO4R2
    cpd12027 C5H2O4R3
    cpd12028 C4H2O4R
    cpd12029 C7H5N2O3R
    cpd12030 C15H23O16P3R3
    cpd12031 CO5PR
    cpd12032 C5H5N2O3R2
    cpd12033 COR2
    cpd12034 None
    cpd12035 C7H10N2O4R
    cpd12036 C26H41N9O17P2R2
    cpd12037 None
    cpd12038 C10H15NO8R
    cpd12040 None
    cpd12041 C4H8N3O2R2
    cpd12042 C7H11N2O3R
    cpd12043 C7H14N3O2R2
    cpd12044 C4H6N2O3R2
    cpd12045 NR3
    cpd12047 None
    cpd12048 C15H23O16P2R3
    cpd12049 CHNOR2
    cpd12050 HORS
    cpd12051 None
    cpd12052 C8H12N4O4R4S2
    cpd12053 None
    cpd12054 H2NOR
    cpd12055 C13H18N3O14P2R
    cpd12057 None
    cpd12058 C15H23O17P3R2
    cpd12059 None
    cpd12060 C25H36N7O18P2R2
    cpd12061 None
    cpd12062 None
    cpd12063 None
    cpd12064 C8H14NO4R
    cpd12065 None
    cpd12066 C6H9N3O4R2
    cpd12067 None
    cpd12068 None
    cpd12069 C10H13NO8R3
    cpd12070 C6H7O6R2
    cpd12072 C7H11N3O3R2S2
    cpd12073 None
    cpd12074 C2H2R4S2
    cpd12075 C3H5O3R
    cpd12076 C10H15N3O6RS
    cpd12077 C5H8R2
    cpd12078 H2NR2
    cpd12079 C6H11O5RS
    cpd12080 C21H29O2R
    cpd12081 C5H9O5R
    cpd12082 C26H37N5O29P5R3
    cpd12083 None
    cpd12085 C5H8O4R2
    cpd12086 C15H23O13P2R3
    cpd12087 C20H28NO18P2R3
    cpd12088 CO2R2
    cpd12089 None
    cpd12090 None
    cpd12091 None
    cpd12092 C9H14N2O7R2
    cpd12093 C6H5NR2
    cpd12094 CO2R
    cpd12095 None
    cpd12097 None
    cpd12098 None
    cpd12099 C21H33O18P2R3
    cpd12100 C17H27NO17P2R3
    cpd12101 C7H14N3O2R2
    cpd12103 C6H15N4O2R
    cpd12104 C10H17N3O4R2
    cpd12105 C25H37N6O17P2R2S
    cpd12106 C2H2O2R2
    cpd12107 CH5NR
    cpd12108 C12H17NO17R2S2
    cpd12109 C3H5O3R
    cpd12110 C21H28N4O17P2R2
    cpd12111 None
    cpd12112 C7H11N3O3R2S2
    cpd12114 C6H11O5R
    cpd12115 C15H24O12R2
    cpd12116 C6H11O5R
    cpd12117 C6H11O6R
    cpd12118 C2H2O3R
    cpd12119 C6H11O6R
    cpd12120 C6H10O5R2
    cpd12122 None
    cpd12124 C15H23O16P2R3
    cpd12125 HOR
    cpd12126 None
    cpd12127 O4PR2
    cpd12129 None
    cpd12130 None
    cpd12131 C4H7N2O3R
    cpd12132 C18H29NO18P2R3
    cpd12133 C25H37N6O17P2R2
    cpd12134 None
    cpd12135 C7H13N4O3R
    cpd12136 C5H8N2O3R
    cpd12137 C6H7O7R2
    cpd12138 H2NR
    cpd12139 C7H9N3O3R2S2
    cpd12140 C6H9N3O3R2
    cpd12141 C11H15N3O7RS
    cpd12142 None
    cpd12143 C4H6N2O3R2
    cpd12144 C6H11O6R
    cpd12145 C6H11O5R
    cpd12146 C12H16O13R3S
    cpd12147 C2H2O3R
    cpd12148 C6H10O5R2
    cpd12149 C2H3NO2R2
    cpd12150 C9H11N3O7PR
    cpd12151 None
    cpd12152 None
    cpd12154 C4H5NO3RS
    cpd12155 C5H9N2O3R
    cpd12156 None
    cpd12157 None
    cpd12159 None
    cpd12161 C16H20N2O8R2
    cpd12162 None
    cpd12164 C20H31NO17P2R3
    cpd12165 C4H6N2O3R2
    cpd12166 C5H8N2O3R2
    cpd12167 None
    cpd12168 C12H11N3O2R2
    cpd12169 C4H6N2O2R2
    cpd12170 C5H5O8PR3
    cpd12172 C4H6N2O2R2S
    cpd12173 None
    cpd12174 C3H6NO2RS
    cpd12175 None
    cpd12177 None
    cpd12178 C6H11O5R
    cpd12179 None
    cpd12180 C5H9O5R
    cpd12181 C12H20O10R2
    cpd12182 C19H25N2O21P3R2
    cpd12183 C9H18O16P3R
    cpd12184 C3H7O3R
    cpd12185 C8H12O10PR2
    cpd12186 C15H23O16P2R3
    cpd12188 None
    cpd12189 None
    cpd12190 C7H14N3O2R2
    cpd12191 None
    cpd12192 C7H10N2O3R
    cpd12193 C34H48N3O42R2S5
    cpd12194 C29H37N6O18P2R2
    cpd12195 C30H46O26P4R6
    cpd12197 C4H5NO3R
    cpd12198 C8H14NO6R
    cpd12199 C3H2NO3R2
    cpd12200 C7H11N3O4R
    cpd12201 C3H3NO3R
    cpd12202 C20H37N3O11R2
    cpd12203 C6H11N2O3R
    cpd12204 C5H4N5R
    cpd12205 C10H16N2O8R2
    cpd12206 C15H23O16P2R3
    cpd12207 None
    cpd12208 C5H5N2O4R2
    cpd12210 C10H17N4O4R2
    cpd12212 None
    cpd12213 C4H6O2RS
    cpd12214 O3RS2
    cpd12216 C5H9O5R
    cpd12217 None
    cpd12218 C6H11O6R
    cpd12220 C37H52N5O31P4R4
    cpd12221 C2H2O3R
    cpd12223 C20H28N3O17P3R2
    cpd12225 C8H16NORS2
    cpd12226 C19H28NO19P2R3
    cpd12227 C25H34N6O19P2R2
    cpd12228 C21H31N3O17P2R3
    cpd12229 C19H31NO18P2R3
    cpd12230 C7H12NO6R
    cpd12231 C6H7N2O4R2
    cpd12232 C5H9O7PR
    cpd12233 C4H5N2O6PR2
    cpd12234 C6H11O6R
    cpd12235 C5H7N3O3R2
    cpd12236 C7H12N4O3R2
    cpd12237 C6H10N2O2R2S
    cpd12238 None
    cpd12239 CuR
    cpd12240 None
    cpd12241 C6H8O7R
    cpd12244 None
    cpd12245 C7H5NOR2
    cpd12246 C11H11N4O9PR
    cpd12247 C11H11N4O10PR
    cpd12248 None
    cpd12249 None
    cpd12250 None
    cpd12251 C7H14N3O2R2
    cpd12252 None
    cpd12253 C20H28N3O17P3R2
    cpd12254 None
    cpd12255 C23H33N6O17P2R2S
    cpd12256 C26H39N6O17P2R2
    cpd12257 C5H8O2R
    cpd12258 HOR
    cpd12259 C4H5NO3R
    cpd12260 None
    cpd12261 C3H6NO2R
    cpd12262 C8H15ClN4O2R
    cpd12263 None
    cpd12264 None
    cpd12265 CuR
    cpd12266 C6H12NO5R2
    cpd12267 None
    cpd12268 None
    cpd12269 None
    cpd12271 C9H12N3O6R2
    cpd12273 C4H6O4R2
    cpd12274 C10H15O13P2R2
    cpd12275 None
    cpd12276 C2H2O3R
    cpd12277 None
    cpd12278 C6H5O4PR2
    cpd12279 None
    cpd12280 None
    cpd12281 None
    cpd12282 None
    cpd12283 None
    cpd12284 None
    cpd12285 C26H36N6O18P2R2S
    cpd12286 C21H43N5O8R2
    cpd12287 None
    cpd12288 C2H4NO3R
    cpd12289 None
    cpd12290 C5H5N2O4R2
    cpd12291 None
    cpd12292 C7H14N5O2R2
    cpd12293 C2H4NO2R2
    cpd12294 C7H14N3O2R2
    cpd12295 None
    cpd12297 C11H12N5O8PR
    cpd12298 C7H10N2O5R
    cpd12299 C5H4N2O3R4S
    cpd12300 C4H4O7PR
    cpd12301 None
    cpd12302 None
    cpd12303 None
    cpd12304 None
    cpd12305 None
    cpd12306 None
    cpd12307 None
    cpd12308 C21H28N5O16P3R2
    cpd12309 None
    cpd12310 None
    cpd12311 None
    cpd12312 C6H11O6R
    cpd12313 C19H29N2O18P2R3
    cpd12314 C31H55NO16RS
    cpd12315 None
    cpd12317 None
    cpd12318 C7H14N3O3R2
    cpd12319 C6H11O6R
    cpd12320 C6H2NO3R2S
    cpd12321 C20H28N2O21P3R2
    cpd12322 C6H8O4R2
    cpd12323 C23H47N4O17PR
    cpd12324 C24H49N5O13PR
    cpd12325 C15H22O19P3R3
    cpd12326 C15H22O19P3R3
    cpd12327 None
    cpd12328 None
    cpd12329 None
    cpd12330 None
    cpd12331 C7H13OR
    cpd12332 H2O2PR
    cpd12333 HO3PR
    cpd12334 None
    cpd12335 C24H33NO17P2R3
    cpd12336 C31H38N7O17P2R2
    cpd12337 HO7P2R
    cpd12338 C3H2NO3R2
    cpd12339 C12H11N3O4R2
    cpd12340 C16H25N7O7R5
    cpd12341 C16H21N6O8R5
    cpd12342 None
    cpd12343 C6H8O11R2S2
    cpd12344 C3H6NO2RS
    cpd12346 None
    cpd12348 C6H11O5R
    cpd12350 None
    cpd12351 None
    cpd12352 None
    cpd12353 C22H35N2O18P2R4S
    cpd12354 CH2NOR
    cpd12355 C6H11N2O3R2
    cpd12356 None
    cpd12358 C6H7NO2R2
    cpd12359 None
    cpd12360 C6H8N3O3R3
    cpd12361 C9H14N2O7R2
    cpd12362 C15H22O19P3R3
    cpd12363 None
    cpd12364 C5H9O5R
    cpd12365 C4H9O4R
    cpd12366 C2H3O2R
    cpd12368 C10H8N3O6R2S
    cpd12370 HOR
    cpd12371 C11H16O10R2
    cpd12372 C8H16N3O2R2
    cpd12373 C6H11O6R
    cpd12374 C2H3O2R
    cpd12375 C3H4O6PR
    cpd12377 C10H9N2O6R2S
    cpd12378 C5H9O10P2R
    cpd12379 C3H6NO3RS
    cpd12380 C15H21O22P4R3
    cpd12381 C7H10N2O5R
    cpd12382 C8H6O2R
    cpd12383 C8H13O7R
    cpd12384 None
    cpd12385 None
    cpd12386 C5H9O9P2R
    cpd12387 C4H6N2O3R2
    cpd12388 None
    cpd12389 C7H10NO6R
    cpd12390 C6H7NO2R2
    cpd12391 C11H19O9PR
    cpd12392 C5H8N2O2R2S
    cpd12394 C3H8N2OR
    cpd12395 None
    cpd12396 C4H6N2O6PR2
    cpd12397 None
    cpd12399 C10H17O12PR
    cpd12400 C5H9O4R
    cpd12401 C20H38NO4R
    cpd12402 C3H4O3R
    cpd12403 C6H10O9PR
    cpd12405 None
    cpd12406 None
    cpd12408 C21H31O18R2
    cpd12409 None
    cpd12410 C27H49NO8PR
    cpd12411 C5H7N2O6PR2
    cpd12412 C4H5N2O6PR2
    cpd12413 C8H14NO6R
    cpd12414 C18H24NO18P2R5
    cpd12415 C18H32N2O4R
    cpd12416 C6H8O8PR2
    cpd12417 C15H21N4O10RS2
    cpd12419 C12H14O12R2
    cpd12420 C6H10N2O3R2S
    cpd12421 C15H19N4O10RS2
    cpd12422 C12H17N3O8RS
    cpd12423 None
    cpd12424 C11H14N4O7R3
    cpd12425 C11H16N5O6R3
    cpd12427 C6H14N2O3R2
    cpd12428 C15H22O19P3R3
    cpd12429 C10H14N3O6R
    cpd12430 C21H18O10R2
    cpd12431 C8H16N3O2R2
    cpd12432 None
    cpd12433 None
    cpd12434 C25H45NO8R2
    cpd12435 C5H5N2O5R2
    cpd12436 None
    cpd12437 None
    cpd12438 C3H6O6PR
    cpd12439 C4H6O7PR
    cpd12440 C15H23O16P2R3
    cpd12441 C6H12NO7PR2
    cpd12442 None
    cpd12443 None
    cpd12444 C25H37N7O17P3RS
    cpd12445 None
    cpd12446 C8H14NO6R
    cpd12447 C11H15O16P2R2
    cpd12449 C6H14N4O2R
    cpd12450 C10H16O4RS2
    cpd12452 C11H16O10R2
    cpd12453 C8H16N3O2R2
    cpd12454 C12H14NO23R2S4
    cpd12455 C12H17NO13R2S
    cpd12456 C3H6NO2R
    cpd12457 C8H10N4O2R2
    cpd12459 None
    cpd12461 C2H2O3R
    cpd12462 None
    cpd12463 None
    cpd12464 C18H30O15R2
    cpd12465 C8H6NR
    cpd12466 C15H21O22P4R3
    cpd12467 C4H6N2O3R2
    cpd12468 C4H6N2O3R2
    cpd12469 None
    cpd12471 C8H14NO6R
    cpd12472 C8H14NO6R
    cpd12473 C7H11NO9PR
    cpd12474 C4H5N2O6PR2
    cpd12475 C7H10N2O4R2
    cpd12476 C8H16N5O2R2
    cpd12477 C9H15N3O3R2
    cpd12478 C21H28N5O20P3R2
    cpd12479 C21H28N5O20P3R2
    cpd12480 C21H28N5O19P3R2
    cpd12481 C10H13N3O11P2R2
    cpd12482 C11H13N5O10P2R2
    cpd12483 C11H13N5O11P2R2
    cpd12484 C21H28N5O20P3R2
    cpd12485 C21H28N5O19P3R2
    cpd12486 C21H29N5O20P3R2
    cpd12487 None
    cpd12489 C21H37N2O8PRS
    cpd12490 None
    cpd12491 C12H17NO13R2S
    cpd12492 None
    cpd12493 C3H5O2R
    cpd12494 C41H69N2O17P2R
    cpd12495 None
    cpd12496 C15H23O8PR3
    cpd12497 C4H2OR2S
    cpd12498 C15H22O19P3R3
    cpd12499 C12H21O11R
    cpd12500 C17H28NO17PR2
    cpd12501 None
    cpd12502 C21H28N5O17P3R2
    cpd12505 None
    cpd12506 C23H34N2O19P2R4S
    cpd12507 C8H16NO8PR2
    cpd12508 C7H7N4O5PR2
    cpd12509 C7H7N4O5PR2
    cpd12510 None
    cpd12511 C24H41O21R
    cpd12512 HRS
    cpd12513 C7H8NO5R
    cpd12514 C9H16NO8PR2
    cpd12516 C6H8N2O4R2
    cpd12517 C15H21O18P3R3
    cpd12518 C3H5NO2R2
    cpd12519 C15H22O16P3R3
    cpd12520 C2H3ORS
    cpd12521 None
    cpd12522 C29H42N11O16P2R2
    cpd12523 C15H23O8PR3
    cpd12524 C5H9N2O2R
    cpd12525 C60H102N4O49PR2
    cpd12526 C5H7NO3RS
    cpd12527 C4H3ORS
    cpd12528 C6H8O5R2
    cpd12529 None
    cpd12530 C15H23O13P2R3
    cpd12531 C13H20N4O8R2
    cpd12532 C20H29N5O17P3R2
    cpd12533 C18H28N2O24RS3
    cpd12534 C20H36N2O4R2
    cpd12535 C8H14NO6R
    cpd12536 C4H5N2O6PR2
    cpd12537 None
    cpd12539 C6H8N2O3R2
    cpd12540 C6H8N2O3R2
    cpd12541 C15H21O18P3R3
    cpd12543 C18H26N5O6R2S
    cpd12544 C11H14N5O5R
    cpd12545 C11H20O12PR2
    cpd12546 C25H34N5O19P3R2
    cpd12547 C6H13NO7PR
    cpd12548 C9H7N2O5R2S
    cpd12549 C86H143N3O33P4R
    cpd12550 C22H33O18R2
    cpd12551 C9H12NO8R4
    cpd12552 C12H21O10R
    cpd12553 C5H9O5R
    cpd12554 C6H12NO7PR2
    cpd12555 C5H13NO6PR
    cpd12556 C14H26N2O11PR2
    cpd12558 None
    cpd12560 C8H15N2O4R2
    cpd12561 C12H15NO9R3
    cpd12562 C22H35N3O4R2S
    cpd12563 C27H48O31P3R
    cpd12564 C23H32N3O23P3R2
    cpd12565 C43H62N5O36P4R4
    cpd12566 C26H35N7O17P3RS
    cpd12567 C6H9NO3R2S
    cpd12569 None
    cpd12570 C13H24N3O8R2
    cpd12571 C11H13N5O11P2R2
    cpd12572 C11H15O16P2R2
    cpd12573 C4H5N2O6PR2
    cpd12574 C4H5N2O6PR2
    cpd12575 None
    cpd12576 None
    cpd12578 None
    cpd12580 C14H24NO11R
    cpd12581 C4H6N2O3R2
    cpd12582 C11H14O19P3R2
    cpd12583 C20H29N2O25RS3
    cpd12584 C14H24NO11R
    cpd12585 C6H6O6R
    cpd12586 C13H23NO12PR2
    cpd12588 C11H24N4O3R2
    cpd12589 C21H29O2R
    cpd12590 C17H27N5O4R2S
    cpd12591 C17H27N5O4R2S
    cpd12592 C17H27NO14R
    cpd12593 C26H37N5O29P5R3
    cpd12594 C17H26O15R2
    cpd12595 C19H32O15R2
    cpd12596 C4H6N2O3R2
    cpd12597 C17H27N5O4R2S
    cpd12598 C21H31N3O20P3R2S
    cpd12599 C42H72N2O21R
    cpd12600 C7H14N3O2R2
    cpd12601 C7H14N3O2R2
    cpd12602 None
    cpd12603 C23H38N3O4R2S
    cpd12604 None
    cpd12605 C14H24NO11R
    cpd12606 C8H14NO7PR2
    cpd12607 C19H34N3O13R2
    cpd12608 C7H14N3O2R2
    cpd12609 None
    cpd12610 None
    cpd12611 C4H5N2O6PR2
    cpd12612 C30H51O26R
    cpd12613 None
    cpd12614 C21H28N5O19P3R2
    cpd12615 None
    cpd12616 C23H36N3O19R2
    cpd12617 C13H21NO12R
    cpd12618 None
    cpd12619 C22H32N2O16R2
    cpd12620 C41H61N3O34R2
    cpd12621 C17H27N5O4R2S
    cpd12622 C27H39N5O29P5R3
    cpd12623 None
    cpd12625 None
    cpd12626 C12H13O12R
    cpd12627 None
    cpd12628 C19H34N3O13R2
    cpd12629 C21H34N2O17R2
    cpd12630 C7H14N3O2R2
    cpd12631 None
    cpd12632 C33H45N10O29P5R2
    cpd12633 C17H26O15R2
    cpd12634 None
    cpd12635 C18H31O15R
    cpd12636 C22H32NO18R2
    cpd12637 C20H26O18R
    cpd12638 C27H41N2O23R2
    cpd12639 C22H36O19R2
    cpd12640 C56H95N3O31R
    cpd12641 C49H74N4O39R2
    cpd12642 C22H35O22R2S
    cpd12643 None
    cpd12644 C10H18N6O4R2
    cpd12645 C10H16N3O4R2
    cpd12646 C10H17N4O4R2
    cpd12647 C13H14N3O4R2
    cpd12648 C15H15N4O4R2
    cpd12649 C13H14N3O5R2
    cpd12650 None
    cpd12651 None
    cpd12652 None
    cpd12653 None
    cpd12654 C24H34N7O17P3RS
    cpd12655 C25H35N7O17P3RS
    cpd12656 C21H29N5O16P2R2
    cpd12657 C25H35N7O17P3RS
    cpd12658 None
    cpd12659 None
    cpd12660 C3H4O3R
    cpd12661 None
    cpd12664 None
    cpd12665 C17H26NO17P2R4
    cpd12666 C21H30N3O19P2R6
    cpd12667 C5H5N2O4R2
    cpd12668 C18H30NO17P2R3Se
    cpd12669 None
    cpd12670 None
    cpd12671 None
    cpd12672 None
    cpd12673 C3H4N2O2R2
    cpd12674 None
    cpd12675 C6H10N2O2R2S
    cpd12676 C7H14N5O2R2
    cpd12677 C7H14N5O2R2
    cpd12678 C9H18NO7PR2
    cpd12679 C3H6O6PR2
    cpd12680 C5H8O7PR2
    cpd12681 None
    cpd12682 C24H35N7O17P3RS
    cpd12683 C4H6N2O3R2
    cpd12684 None
    cpd12685 None
    cpd12686 None
    cpd12687 C10H10N2O3R2
    cpd12690 None
    cpd12694 None
    cpd12695 None
    cpd12696 None
    cpd12697 C3H3N2O2R2
    cpd12698 C7H13N2O2R2S
    cpd12699 C8H16N5O2R2
    cpd12700 C8H16N5O2R2
    cpd12702 C19H20N4O11PR2
    cpd12703 C24H35N7O17P3RS
    cpd12704 C25H37N6O17P2R2Se
    cpd12706 None
    cpd12708 None
    cpd12710 None
    cpd12711 CuR
    cpd12712 CuR
    cpd12713 None
    cpd12717 None
    cpd12718 None
    cpd12719 None
    cpd12720 None
    cpd12722 None
    cpd12724 None
    cpd12725 None
    cpd12726 None
    cpd12727 None
    cpd12728 None
    cpd12730 None
    cpd12731 None
    cpd12733 None
    cpd12734 C6H10NO3RS
    cpd12735 None
    cpd12736 C8H16N3O2R2
    cpd12737 C9H18N3O2R2
    cpd12738 C10H20N3O2R2
    cpd12739 None
    cpd12740 None
    cpd12741 None
    cpd12743 None
    cpd12744 None
    cpd12745 None
    cpd12746 C7H12NO7PR2
    cpd12747 C10H18NO7PR2
    cpd12748 None
    cpd12749 None
    cpd12750 None
    cpd12752 None
    cpd12753 C2H3NO3R
    cpd12754 C2HNOR2
    cpd12755 C8H11NO6R2
    cpd12756 C2HNO3R
    cpd12759 C5H7NO3R2
    cpd12761 C5H7NO3RS
    cpd12762 C5H8N2O3RS
    cpd12763 None
    cpd12764 None
    cpd12766 None
    cpd12767 None
    cpd12768 None
    cpd12769 None
    cpd12770 None
    cpd12771 None
    cpd12772 None
    cpd12773 None
    cpd12774 None
    cpd12775 None
    cpd12776 None
    cpd12777 C12H20O11R2
    cpd12778 None
    cpd12784 None
    cpd12793 None
    cpd12794 None
    cpd12795 None
    cpd12798 None
    cpd12799 C10H15NO11PR3
    cpd12800 C4H5O7PR2
    cpd12801 C13H16O17P2R4
    cpd12802 C11H13O22P4R2
    cpd12803 None
    cpd12804 None
    cpd12805 None
    cpd12806 None
    cpd12807 None
    cpd12808 None
    cpd12809 C20H6CoN4R21
    cpd12810 C19H3CoN4R21
    cpd12812 C23H36O20R2
    cpd12813 C17H26O15R2
    cpd12814 C12H15O11R3
    cpd12815 C17H26O15R2
    cpd12816 C20H32O20PR2
    cpd12817 C92H176O140P25R2
    cpd12818 C167H301N25O165P25R2
    cpd12819 None
    cpd12820 None
    cpd12821 None
    cpd12822 None
    cpd12824 None
    cpd12825 None
    cpd12826 None
    cpd12827 None
    cpd12828 C25H34N6O19P2R2
    cpd12829 C19H28NO19P2R3
    cpd12830 C25H45NO11RS
    cpd12831 C31H55NO16RS
    cpd12832 None
    cpd12833 C57H99N2O32R
    cpd12834 C51H89N2O27R
    cpd12835 C59H102N3O32R
    cpd12836 C4H6O2R2
    cpd12837 C8H12O5R
    cpd12838 None
    cpd12839 None
    cpd12845 C7H6N2O6R2
    cpd12846 C6H7N2O4R2
    cpd12847 C7H14N3O2R2
    cpd12848 C17H27N5O4R2S
    cpd12849 C4H6O7PR2
    cpd12850 None
    cpd12851 None
    cpd12852 None
    cpd12853 None
    cpd12854 None
    cpd12855 None
    cpd12856 None
    cpd12857 None
    cpd12861 C27H28O15R2
    cpd12863 C36H29O15R8
    cpd12864 C11H16O10R2
    cpd12865 C17H26O15R2
    cpd12866 C3H2NO3R2
    cpd12868 C4H6N2O3R2
    cpd12870 C7H14N3O2R2
    cpd12871 C8H16N3O2R2
    cpd12872 C69H100CoN17O16PR2
    cpd12873 C70H103CoN17O16PR2
    cpd12874 None
    cpd12875 None
    cpd12877 C5H6O5R2
    cpd12879 None
    cpd12880 None
    cpd12881 None
    cpd12884 C8H12N2O4RS
    cpd12885 C9H9NO4RS
    cpd12886 None
    cpd12887 None
    cpd12888 None
    cpd12889 None
    cpd12890 None
    cpd12891 None
    cpd12892 None
    cpd12893 None
    cpd12894 None
    cpd12895 None
    cpd12898 None
    cpd12899 C15H19N5O13P2R2
    cpd12900 None
    cpd12901 None
    cpd12902 None
    cpd12903 None
    cpd13044 C7H14N3O2R2
    cpd13045 C11H24N4O2R2
    cpd13048 None
    cpd13051 None
    cpd13052 None
    cpd13053 None
    cpd13055 C12H14O11R8
    cpd13195 None
    cpd13196 None
    cpd13197 None
    cpd13198 None
    cpd13199 None
    cpd13218 None
    cpd13267 C9H13ClNR
    cpd13269 C6H9I2NOR2
    cpd13319 None
    cpd13332 C18H27O21R4S3
    cpd13333 C12H15NO9R3
    cpd13334 None
    cpd13335 None
    cpd13336 None
    cpd13337 None
    cpd13338 None
    cpd13339 None
    cpd13340 None
    cpd13341 None
    cpd13342 None
    cpd13343 None
    cpd13345 None
    cpd13346 None
    cpd13347 None
    cpd13357 C45H51MgN4O4R3
    cpd13362 C19H42N5O11R2S
    cpd13363 None
    cpd13364 C12H16N4O6R3S
    cpd13365 C11H17N4O5R3S
    cpd13366 C2H3ORS
    cpd13367 C9H10ClNO3RS
    cpd13368 C9H10NO3RS
    cpd13369 C9H9ClNO3RS
    cpd13370 C20H26N5O17P3R2
    cpd13371 None
    cpd13372 C20H29N3O20P3R2S
    cpd13373 HRS
    cpd13374 None
    cpd13375 None
    cpd13376 C54H87N2O25P2R7
    cpd13377 C52H89N2O23P2R5
    cpd13378 C8H14O2R2
    cpd13379 C8H14O2R2
    cpd13380 C4H6O2R2
    cpd13381 C4H6O2R2
    cpd13382 C18H27N2O27RS4
    cpd13383 C11H14O19P3R2
    cpd13384 C11H14O19P3R2
    cpd13385 C11H15O16P2R2
    cpd13386 C21H32N5O13R3
    cpd13387 C55H100N16O13R
    cpd13388 C55H100N16O17RS
    cpd13389 C12H19N3O4R2S
    cpd13395 C9H10N2O4RS
    cpd13397 C10H12N2O4RS
    cpd13399 None
    cpd13402 None
    cpd13403 C24H35N4O16R
    cpd13404 C22H31N7O17P3RS
    cpd13408 C4H6O2R2
    cpd13411 C16H17O8RS
    cpd13412 C17H19O8RS
    cpd13413 C18H21O8RS
    cpd13414 C18H19O9RS
    cpd13415 C19H21O9RS
    cpd13416 C20H23O9RS
    cpd13417 C20H21O10RS
    cpd13418 C21H23O10RS
    cpd13419 C22H25O10RS
    cpd13420 C16H19O8RS
    cpd13421 C17H21O8RS
    cpd13422 C18H23O8RS
    cpd13423 C18H21O9RS
    cpd13424 C19H23O9RS
    cpd13425 C20H25O9RS
    cpd13426 C20H23O10RS
    cpd13427 C21H25O10RS
    cpd13428 C22H27O10RS
    cpd13430 C19H20NO10RS
    cpd13431 C14H19NO3RS
    cpd13432 C9H11NO2RS
    cpd13433 C9H11NO3RS
    cpd13434 C9H8NO3RS
    cpd13435 C10H10NO3RS
    cpd13436 C10H10NO4RS
    cpd13437 C9H8NO4RS
    cpd13438 C5H9NORS
    cpd13439 C5H6NORS
    cpd13440 C5H4NORS
    cpd13441 C6H6NORS
    cpd13780 CH2OR2
    cpd13880 C41H65NO16R
    cpd13883 None
    cpd13904 C16H30GdN5O9
    cpd13942 C42H70O35R2
    cpd14226 C39H62NO19R2
    cpd14231 C11H15O12R2S
    cpd14242 C128H219N44O38R2
    cpd14262 C49H91N16Na5O27RS5
    cpd14328 None
    cpd14338 C12H14O29R2S6
    cpd14339 C2H3O4R2S
    cpd14340 C5H6O10R2S2
    cpd14345 C78H78Cl2N9O32R
    cpd14346 C58H82N2O17R2
    cpd14379 C50H72N16O25RS3
    cpd14447 C29H38N5O8RS
    cpd14448 C35H58NO13R2
    cpd14464 None
    cpd14465 None
    cpd14466 None
    cpd14467 C4H6MnN2R2S4
    cpd14469 C22H34N2O8R2
    cpd14470 None
    cpd14471 None
    cpd14472 None
    cpd14473 C2H2O3R
    cpd14474 R2S2
    cpd14475 HO2R
    cpd14476 None
    cpd14477 None
    cpd14478 CH2O3RS
    cpd14479 C7H14N5O2R2
    cpd14480 C8H16N5O2R2
    cpd14481 C2H7NR
    cpd14482 C4H8NOR
    cpd14483 C24H20O13R
    cpd14484 C11H19O15P2R
    cpd14485 C12H21O11R
    cpd14486 C14H24NO11R
    cpd14488 C14H19NO14R2S
    cpd14489 C2HO2R2
    cpd14490 C14H21NO12R
    cpd14491 C22H34N2O17R
    cpd14492 C14H21NO12R
    cpd14493 C20H28NO18R
    cpd14494 C14H21NO12R
    cpd14495 C20H28NO18R
    cpd14496 None
    cpd14497 None
    cpd14498 None
    cpd14499 None
    cpd14500 None
    cpd14501 None
    cpd14502 None
    cpd14503 None
    cpd14504 C5H9O3R
    cpd14505 C5H8O6PR
    cpd14506 C6H7O7PR2
    cpd14507 C6H10N2O3R2S
    cpd14508 C35H54N3O28R2
    cpd14509 C66H57Cl2N8O23R
    cpd14510 C50H72N16O21RS2
    cpd14511 C53H79N17O21RS2
    cpd14512 C50H73N17O21RS2
    cpd14540 None
    cpd14541 None
    cpd14542 None
    cpd14543 None
    cpd14546 None
    cpd14547 C4H6N2O2R2S
    cpd14548 C4H6N2O2R2S2
    cpd14549 None
    cpd14550 None
    cpd14551 None
    cpd14561 None
    cpd14562 None
    cpd14563 None
    cpd14564 None
    cpd14565 None
    cpd14567 None
    cpd14569 None
    cpd14570 None
    cpd14571 None
    cpd14572 None
    cpd14573 None
    cpd14576 None
    cpd14579 None
    cpd14580 None
    cpd14582 None
    cpd14583 None
    cpd14585 C11H22N4O2R2
    cpd14586 None
    cpd14587 None
    cpd14593 None
    cpd14594 None
    cpd14595 C47H67O7R
    cpd14596 None
    cpd14597 None
    cpd14599 None
    cpd14600 None
    cpd14602 None
    cpd14603 None
    cpd14604 None
    cpd14606 None
    cpd14607 None
    cpd14611 None
    cpd14620 None
    cpd14621 None
    cpd14622 None
    cpd14624 None
    cpd14625 None
    cpd14627 None
    cpd14629 None
    cpd14631 None
    cpd14634 None
    cpd14636 None
    cpd14641 None
    cpd14642 None
    cpd14645 None
    cpd14646 C47H63O7R
    cpd14647 None
    cpd14649 None
    cpd14650 None
    cpd14651 None
    cpd14658 None
    cpd14660 None
    cpd14664 None
    cpd14666 None
    cpd14671 None
    cpd14672 None
    cpd14673 None
    cpd14674 None
    cpd14675 None
    cpd14676 None
    cpd14684 None
    cpd14685 None
    cpd14686 None
    cpd14699 C13H24NO2RS2
    cpd14703 C13H24NO2RS2
    cpd14717 None
    cpd14722 None
    cpd14725 None
    cpd14726 None
    cpd14727 None
    cpd14728 None
    cpd14729 None
    cpd14731 None
    cpd14732 None
    cpd14733 C22H33N10O15P2R2
    cpd14734 None
    cpd14735 None
    cpd14738 None
    cpd14739 None
    cpd14740 None
    cpd14741 None
    cpd14742 None
    cpd14743 None
    cpd14744 None
    cpd14745 None
    cpd14746 None
    cpd14747 None
    cpd14748 None
    cpd14750 None
    cpd14751 None
    cpd14752 None
    cpd14753 None
    cpd14754 None
    cpd14755 None
    cpd14756 None
    cpd14757 None
    cpd14758 None
    cpd14760 None
    cpd14761 None
    cpd14762 None
    cpd14763 None
    cpd14764 None
    cpd14765 None
    cpd14766 None
    cpd14767 None
    cpd14768 None
    cpd14769 None
    cpd14770 None
    cpd14771 None
    cpd14772 None
    cpd14773 None
    cpd14774 None
    cpd14775 None
    cpd14776 None
    cpd14777 None
    cpd14778 None
    cpd14779 None
    cpd14780 None
    cpd14781 None
    cpd14782 None
    cpd14783 None
    cpd14784 None
    cpd14785 None
    cpd14786 None
    cpd14787 None
    cpd14788 None
    cpd14789 None
    cpd14793 CNR
    cpd14794 CH2NOR
    cpd14797 None
    cpd14798 None
    cpd14799 None
    cpd14800 None
    cpd14801 None
    cpd14802 None
    cpd14803 None
    cpd14804 None
    cpd14805 None
    cpd14806 None
    cpd14807 None
    cpd14808 None
    cpd14809 None
    cpd14810 None
    cpd14811 None
    cpd14812 None
    cpd14813 None
    cpd14814 None
    cpd14815 None
    cpd14816 None
    cpd14817 None
    cpd14820 None
    cpd14821 None
    cpd14822 None
    cpd14823 None
    cpd14824 None
    cpd14825 None
    cpd14826 None
    cpd14827 None
    cpd14828 None
    cpd14830 None
    cpd14831 None
    cpd14832 None
    cpd14833 None
    cpd14834 None
    cpd14835 None
    cpd14836 None
    cpd14837 C4H6N2O3R2
    cpd14838 None
    cpd14839 None
    cpd14840 None
    cpd14841 None
    cpd14842 None
    cpd14843 None
    cpd14844 None
    cpd14845 None
    cpd14846 None
    cpd14847 None
    cpd14848 None
    cpd14849 None
    cpd14850 None
    cpd14851 None
    cpd14852 None
    cpd14853 None
    cpd14854 None
    cpd14855 None
    cpd14856 None
    cpd14857 None
    cpd14858 None
    cpd14860 None
    cpd14861 C21H37N2O17P2R3
    cpd14879 None
    cpd14881 C18H31ORS
    cpd14882 C18H29ORS
    cpd14895 None
    cpd14896 None
    cpd14897 None
    cpd14898 None
    cpd14938 C29H54N2O9PRS
    cpd14939 C18H35O2RS
    cpd14940 C29H54N2O8PRS
    cpd14953 C8H16NOR
    cpd14954 C8H14NORS2
    cpd14956 C8H13ORS3
    cpd14957 H3NR
    cpd15146 None
    cpd15155 None
    cpd15158 Rn
    cpd15159 H2Ra
    cpd15160 Ra
    cpd15161 Ra
    cpd15162 None
    cpd15171 C25H34N5O20P3R2
    cpd15190 C42H50O6R2
    cpd15192 C5H6O5R2
    cpd15193 C4H5O7PR
    cpd15229 C5H6O11P2R2
    cpd15239 C27H49N2O8PRS
    cpd15249 C16H26N7O4R
    cpd15268 C29H55N2O8PRS
    cpd15271 C29H51N2O8PRS
    cpd15276 C5H6O8PR2
    cpd15277 C27H51N2O8PRS
    cpd15284 C11H16O19P3R2
    cpd15287 C11H16O16P2R2
    cpd15288 C11H16O16P2R2
    cpd15294 C25H45N2O8PRS
    cpd15366 C23H41N2O9PRS
    cpd15368 C25H45N2O9PRS
    cpd15369 C27H49N2O9PRS
    cpd15370 C29H53N2O9PRS
    cpd15371 C29H55N2O9PRS
    cpd15373 C23H39N2O9PRS
    cpd15374 C25H43N2O9PRS
    cpd15375 C27H47N2O9PRS
    cpd15376 C29H51N2O9PRS
    cpd15377 C29H53N2O9PRS
    cpd15395 C3H6NOR2S
    cpd15398 C36H57N7O18R
    cpd15415 C23H41N2O8PRS
    cpd15416 C21H37N2O8PRS
    cpd15446 X
    cpd15447 X
    cpd15448 X
    cpd15449 X
    cpd15450 X
    cpd15451 X
    cpd15452 X
    cpd15453 X
    cpd15464 X
    cpd15465 H2X
    cpd15480 C6H7NO2R2S2
    cpd15481 C6H9NO2R2S2
    cpd15501 C68H104N12O39R2
    cpd15504 C71H109N13O40R2
    cpd15505 C74H114N14O41R2
    cpd15509 C74H114N14O41R2
    cpd15510 C77H119N15O42R2
    cpd15511 C80H124N16O43R2
    cpd15512 C120H186N24O64R2
    cpd15563 C18H28NO17P2R3Se
    cpd15565 C18H29NO18P2R3
    cpd15568 C29H51N2O8PRS
    cpd15569 C23H39N2O8PRS
    cpd15570 C25H43N2O8PRS
    cpd15571 C27H47N2O8PRS
    cpd15572 C29H53N2O8PRS
    cpd15573 C10H12N5O3R
    cpd15574 O4W
    cpd15646 C9H19NO7PR
    cpd15647 C6H13NO7PR
    cpd15648 C7H13O9PR
    cpd15649 C9H11O11PR3
    cpd15650 C13H16O17P2R4
    cpd15653 C7H12NO8PR2
    cpd15655 C8H12O10PR2
    cpd15657 C8H11NO10PR2
    cpd15664 None
    cpd15665 C80H125N16O42R
    cpd15666 C40H63N8O21R
    cpd15667 C191H359N10O259P46R
    cpd15668 C326H584N55O304P46R
    cpd15669 C461H809N10O484P46R
    cpd15670 None
    cpd15800 None
    cpd15876 Fe8S8X
    cpd15877 Fe8S8X
    cpd15914 C18H25N2O9PRS
    cpd15930 C31H59N2O8PRS
    cpd15965 C70H133N2O8PRS
    cpd15966 C71H135N2O8PRS
    cpd15973 C61H115N2O8PRS
    cpd15974 C62H117N2O7PRS
    cpd15975 C63H119N2O7PRS
    cpd15979 C70H135N2O9PRS
    cpd15980 C71H137N2O9PRS
    cpd15983 C67H127N2O8PRS
    cpd15984 C68H129N2O8PRS
    cpd15985 C69H131N2O8PRS
    cpd15987 C68H131N2O9PRS
    cpd15988 C69H133N2O9PRS
    cpd16000 C30H57N2O8PRS
    cpd16014 C34H57N2O9PRS
    cpd16026 C43H81N2O11PRS
    cpd16029 C46H79N2O12PRS
    cpd16031 CMRY
    cpd16060 None
    cpd16061 None
    cpd16063 None
    cpd16064 None
    cpd16065 None
    cpd16066 None
    cpd16067 None
    cpd16068 None
    cpd16069 None
    cpd16070 None
    cpd16071 None
    cpd16072 None
    cpd16073 None
    cpd16074 None
    cpd16075 None
    cpd16076 None
    cpd16079 None
    cpd16080 None
    cpd16081 None
    cpd16082 None
    cpd16083 None
    cpd16084 None
    cpd16085 None
    cpd16086 None
    cpd16087 None
    cpd16088 None
    cpd16089 None
    cpd16090 None
    cpd16091 None
    cpd16092 None
    cpd16093 None
    cpd16095 None
    cpd16096 None
    cpd16097 None
    cpd16099 None
    cpd16100 None
    cpd16101 None
    cpd16102 None
    cpd16103 None
    cpd16104 None
    cpd16105 None
    cpd16106 None
    cpd16107 None
    cpd16108 None
    cpd16109 None
    cpd16110 None
    cpd16111 None
    cpd16113 None
    cpd16114 None
    cpd16115 None
    cpd16118 None
    cpd16119 None
    cpd16120 None
    cpd16121 None
    cpd16123 None
    cpd16124 None
    cpd16125 None
    cpd16127 None
    cpd16128 None
    cpd16129 None
    cpd16130 None
    cpd16131 None
    cpd16132 None
    cpd16133 None
    cpd16134 None
    cpd16135 None
    cpd16136 None
    cpd16137 None
    cpd16138 None
    cpd16139 None
    cpd16140 None
    cpd16141 None
    cpd16142 None
    cpd16143 None
    cpd16144 None
    cpd16145 None
    cpd16147 None
    cpd16148 None
    cpd16149 None
    cpd16151 None
    cpd16152 None
    cpd16153 None
    cpd16154 None
    cpd16155 None
    cpd16156 None
    cpd16157 None
    cpd16158 None
    cpd16159 None
    cpd16160 None
    cpd16161 None
    cpd16162 None
    cpd16163 None
    cpd16164 None
    cpd16165 None
    cpd16167 None
    cpd16168 None
    cpd16169 None
    cpd16170 None
    cpd16171 None
    cpd16172 None
    cpd16173 None
    cpd16175 None
    cpd16176 None
    cpd16177 None
    cpd16178 None
    cpd16179 None
    cpd16180 None
    cpd16181 None
    cpd16182 None
    cpd16183 None
    cpd16185 None
    cpd16186 None
    cpd16187 None
    cpd16188 None
    cpd16189 None
    cpd16190 None
    cpd16191 None
    cpd16192 None
    cpd16193 None
    cpd16194 None
    cpd16195 None
    cpd16196 None
    cpd16197 None
    cpd16198 None
    cpd16199 None
    cpd16200 None
    cpd16201 None
    cpd16203 None
    cpd16204 None
    cpd16205 None
    cpd16206 None
    cpd16207 None
    cpd16208 None
    cpd16209 None
    cpd16210 None
    cpd16211 None
    cpd16212 None
    cpd16213 None
    cpd16218 None
    cpd16219 None
    cpd16220 None
    cpd16224 None
    cpd16225 None
    cpd16226 None
    cpd16227 None
    cpd16228 None
    cpd16229 None
    cpd16230 None
    cpd16231 None
    cpd16232 None
    cpd16233 None
    cpd16234 None
    cpd16235 C16H29ORS
    cpd16238 None
    cpd16239 None
    cpd16240 None
    cpd16241 None
    cpd16242 None
    cpd16243 None
    cpd16245 None
    cpd16276 None
    cpd16298 None
    cpd16302 None
    cpd16303 None
    cpd16307 C7H9N2O3R3S
    cpd16308 C10H15N3O6R
    cpd16313 C91H162N4O54PR2
    cpd16442 C18H28NO21P3R3
    cpd16469 C15H23O22P4R3
    cpd16474 C11H14N5O5R
    cpd16483 C10H15N3O6R
    cpd16484 C20H28N5O18P3R2
    cpd16491 HgR2S2
    cpd16492 C10H14N3O6R
    cpd16496 C5H9N2O3RS
    cpd16497 C13H21NO4RS2
    cpd16524 C13H19N5O4R2
    cpd16532 C16H10I4N2O4R2
    cpd16533 C16H11I3N2O4R2
    cpd16534 C10H8I2N2O3R2
    cpd16535 C10H9IN2O3R2
    cpd16536 C10H10N2O3R2
    cpd16537 C4H4N2O2R2
    cpd16541 O4RS
    cpd16584 C8H16NORS2
    cpd16594 None
    cpd16595 None
    cpd16596 None
    cpd16597 None
    cpd16598 None
    cpd16599 None
    cpd16600 None
    cpd16601 None
    cpd16602 None
    cpd16603 None
    cpd16604 None
    cpd16605 None
    cpd16606 None
    cpd16607 None
    cpd16608 None
    cpd16609 None
    cpd16610 None
    cpd16611 None
    cpd16612 None
    cpd16613 None
    cpd16614 None
    cpd16615 None
    cpd16616 None
    cpd16617 None
    cpd16618 None
    cpd16619 None
    cpd16620 None
    cpd16621 None
    cpd16622 None
    cpd16623 None
    cpd16624 None
    cpd16625 None
    cpd16626 None
    cpd16627 None
    cpd16628 None
    cpd16629 None
    cpd16630 None
    cpd16631 None
    cpd16632 None
    cpd16633 None
    cpd16634 None
    cpd16635 None
    cpd16636 None
    cpd16637 None
    cpd16639 None
    cpd16640 None
    cpd16641 None
    cpd16642 None
    cpd16643 None
    cpd16644 None
    cpd16645 None
    cpd16646 None
    cpd16653 None
    cpd16660 None
    cpd16661 None
    cpd16662 None
    cpd16663 None
    cpd16669 None
    cpd16670 None
    cpd16672 None
    cpd16673 None
    cpd16674 None
    cpd16675 C15H27N2O8PRS
    cpd16676 C23H41N2O8PRS
    cpd16677 C21H37N2O8PRS
    cpd16687 C21H39N2O8PRS
    cpd16688 C27H49N2O8PRS
    cpd16689 C17H31N2O8PRS
    cpd16744 C10H18O2R
    cpd16745 C12H22O2R
    cpd16746 C12H20O2R
    cpd16747 C14H26O2R
    cpd16748 C14H24O2R
    cpd16749 C6H10O2R
    cpd16750 C8H14O2R
    cpd16751 C36H64O8R4
    cpd16752 R
    cpd16760 None
    cpd16761 None
    cpd16763 None
    cpd16767 None
    cpd16769 None
    cpd16770 None
    cpd16771 None
    cpd16772 None
    cpd16773 None
    cpd16774 None
    cpd16775 None
    cpd16776 None
    cpd16777 None
    cpd16778 None
    cpd16779 None
    cpd16780 None
    cpd16781 None
    cpd16782 None
    cpd16783 None
    cpd16784 None
    cpd16785 None
    cpd16786 None
    cpd16787 None
    cpd16788 None
    cpd16789 None
    cpd16790 None
    cpd16791 None
    cpd16792 None
    cpd16794 None
    cpd16795 None
    cpd16796 None
    cpd16797 None
    cpd16798 None
    cpd16799 None
    cpd16800 None
    cpd16801 None
    cpd16803 None
    cpd16804 None
    cpd16805 None
    cpd16806 None
    cpd16807 None
    cpd16808 None
    cpd16809 None
    cpd16810 None
    cpd16811 None
    cpd16812 None
    cpd16817 None
    cpd16818 None
    cpd16819 None
    cpd16820 None
    cpd16821 None
    cpd16822 None
    cpd16823 None
    cpd16824 None
    cpd16825 None
    cpd16826 None
    cpd16827 None
    cpd16828 None
    cpd16829 None
    cpd16830 None
    cpd16831 None
    cpd16832 None
    cpd16833 None
    cpd16834 None
    cpd16835 None
    cpd16836 None
    cpd16837 None
    cpd16838 None
    cpd16839 None
    cpd16840 None
    cpd16841 None
    cpd16842 None
    cpd16843 None
    cpd16844 None
    cpd16845 None
    cpd16846 None
    cpd16847 None
    cpd16848 None
    cpd16849 None
    cpd16850 None
    cpd16851 None
    cpd16852 None
    cpd16853 None
    cpd16854 None
    cpd16855 None
    cpd16856 None
    cpd16857 C8H15O2RS
    cpd16858 None
    cpd16859 None
    cpd16863 None
    cpd16864 None
    cpd16865 None
    cpd16866 None
    cpd16867 None
    cpd16868 None
    cpd16869 None
    cpd16870 None
    cpd16905 C65H123N2O8PRS
    cpd16907 C64H121N2O8PRS
    cpd16909 C33H63N2O8PRS
    cpd16911 C33H61N2O8PRS
    cpd16912 C51H95N2O8PRS
    cpd16913 C67H127N2O8PRS
    cpd16914 C69H131N2O8PRS
    cpd16915 C49H93N2O8PRS
    cpd16916 C53H99N2O8PRS
    cpd16917 C67H127N2O8PRS
    cpd16918 C69H131N2O8PRS
    cpd16919 C51H97N2O8PRS
    cpd16920 C55H103N2O8PRS
    cpd16921 C67H127N2O8PRS
    cpd16922 C53H101N2O8PRS
    cpd16923 C51H95N2O8PRS
    cpd16924 C63H119N2O8PRS
    cpd16925 C49H93N2O8PRS
    cpd16926 C35H65N2O8PRS
    cpd16927 C68H131N2O9PRS
    cpd16928 C69H133N2O9PRS
    cpd16929 C70H135N2O9PRS
    cpd16930 C71H137N2O9PRS
    cpd16931 C68H131N2O9PRS
    cpd16932 C70H135N2O9PRS
    cpd16933 C68H131N2O9PRS
    cpd16934 C69H133N2O9PRS
    cpd16939 C69H131N2O9PRS
    cpd16946 C70H135N2O9PRS
    cpd16949 C70H133N2O9PRS
    cpd16950 C68H129N2O9PRS
    cpd16955 C69H131N2O9PRS
    cpd16957 C68H129N2O9PRS
    cpd16965 C70H135N2O9PRS
    cpd16967 C69H133N2O9PRS
    cpd16986 C71H135N2O9PRS
    cpd16999 C72H139N2O9PRS
    cpd17007 C17H33OX
    cpd17009 C13H25OX
    cpd17010 C5H9OX
    cpd17011 C14H27OX
    cpd17012 C15H29OX
    cpd17013 C16H31OX
    cpd17014 C7H13OX
    cpd17015 C6H11OX
    cpd17016 Fe8S8X
    cpd17017 Fe8S8X
    cpd17018 C17H33OX
    cpd17021 C17H31OX
    cpd17029 C15H29OX
    cpd17031 C15H27OX
    cpd17037 O2U
    cpd17038 O2U
    cpd17041 None
    cpd17042 None
    cpd17043 None
    cpd17046 C12H23O2X
    cpd17047 C14H27O2X
    cpd17051 C18H35O2X
    cpd17286 C18H28NO21P3R3
    cpd17287 None
    cpd17290 C27H43N3O18P2R3
    cpd17376 C26H35N2O33R2S4
    cpd17377 C26H33N2O36R2S5
    cpd17393 C20H36N2O3R2S
    cpd17448 C7H12NO6RS
    cpd17449 C7H11NO9RS2
    cpd17450 CHNORS
    cpd17451 C4H7N2O3RS
    cpd17452 C4H3O5R
    cpd17453 C4H3O5R
    cpd17454 C3H2O3R
    cpd17455 C3H6NO2R
    cpd17467 C19H25N2O20P3R2S
    cpd17468 C22H30N3O22P3R2S
    cpd17469 C20H26N5O19P3R2
    cpd17470 C19H26N3O20P3R2
    cpd17512 C9H14NO2R
    cpd17578 None
    cpd17635 C30H39N4O25P4R2
    cpd17636 C30H39N4O25P4R2
    cpd17922 None
    cpd17923 None
    cpd17990 C5H8NO3RS
    cpd17991 C4H8NORS
    cpd17992 C9H15N2O4RS
    cpd17993 C9H15N2O5RS
    cpd18029 C17H27N5O4R2S
    cpd18030 C18H26N5O6R2S
    cpd18032 C5H6NO3R
    cpd18041 None
    cpd18044 C5H7NO4R
    cpd18067 C8H7O3R
    cpd18068 C9H9O3R
    cpd18069 C9H7O3R
    cpd18072 FeR
    cpd18074 FeR
    cpd18075 FeR
    cpd18076 FeR
    cpd18077 CuR
    cpd18078 CuR
    cpd18079 CuR
    cpd18080 CuR
    cpd18081 CuR
    cpd18082 CuR
    cpd19000 CO2R
    cpd19004 C5H6O5R2
    cpd19010 None
    cpd19011 None
    cpd19014 C14H20NO11R2
    cpd19029 None
    cpd19033 C50H85N3O26R
    cpd19038 None
    cpd19049 None
    cpd19051 C4H6N2O3R2
    cpd19155 None
    cpd19166 C21H18O10R2
    cpd19167 None
    cpd19168 None
    cpd19171 C8H14NORS2
    cpd19172 C8H16NORS2
    cpd19173 C12H22NO2RS2
    cpd19179 C12H19NO4RS2
    cpd19180 C10H18NO2RS2
    cpd19183 C5H7O5R
    cpd19186 None
    cpd19189 C11H7O3R
    cpd19192 H3NR
    cpd19193 HRS
    cpd19194 C10H19N6O4R2
    cpd19195 C7H14N3O2R2
    cpd19197 None
    cpd19250 None
    cpd19251 None
    cpd19276 None
    cpd19395 C7H12NO9PR
    cpd19396 C7H13O9PR
    cpd19399 C12H17O16P2R3
    cpd19414 None
    cpd19429 None
    cpd19430 C30H25MgN4O4R2
    cpd19431 C31H27MgN4O4R2
    cpd19432 C45H50MgN4O4R2
    cpd19433 C46H52MgN4O4R2
    cpd19438 C9H13NO7R2
    cpd19439 C12H19NO7R2
    cpd19451 None
    cpd19452 None
    cpd19453 None
    cpd19454 None
    cpd19455 None
    cpd19456 None
    cpd19457 None
    cpd19458 None
    cpd19459 None
    cpd19460 None
    cpd19466 None
    cpd19467 None
    cpd19468 None
    cpd19469 None
    cpd19470 None
    cpd19476 None
    cpd19477 None
    cpd19478 None
    cpd19499 None
    cpd19500 None
    cpd19553 None
    cpd19554 None
    cpd19555 None
    cpd19556 None
    cpd19557 None
    cpd19558 None
    cpd19559 C19H18NO8RS
    cpd19560 C19H14NO6RS
    cpd19579 None
    cpd19592 C16H17O8RS
    cpd19593 C16H19O8RS
    cpd19594 C16H15O6RS
    cpd19595 C20H21O10RS
    cpd19596 C20H23O10RS
    cpd19597 C20H19O8RS
    cpd19598 C21H23O10RS
    cpd19599 C21H25O10RS
    cpd19600 C21H21O8RS
    cpd19601 C20H19O9RS
    cpd19602 C20H17O8RS
    cpd19618 C16H13O5R
    cpd19620 C16H15O5RS
    cpd19622 C16H15O5RS
    cpd19634 C6H15ClN3O2R
    cpd19647 None
    cpd19831 O4STl2
    cpd19880 C4H5O4RS
    cpd19881 C3H3O4RS
    cpd19882 C3H4NO3RS
    cpd20059 C2HNOR2
    cpd20250 None
    cpd20251 None
    cpd20254 None
    cpd20255 None
    cpd20256 None
    cpd20257 None
    cpd20258 None
    cpd20338 C19H27N3O17P2R2
    cpd20340 C28H38N6O24P3R2
    cpd20345 C38H49N11O30P4R2
    cpd20415 Th
    cpd20417 Pu
    cpd20421 None
    cpd20430 None
    cpd20441 CW
    cpd20458 None
    cpd20460 None
    cpd20461 C12H16O15R4S2
    cpd20571 None
    cpd20588 C14H10N2O2R2
    cpd20638 C34H24BaCl2N4O8S2
    cpd20692 None
    cpd20693 None
    cpd20748 C6H11NOR2
    cpd20760 C3H6R2
    cpd20762 C2F4R2
    cpd20764 C6H9NOR2
    cpd20774 None
    cpd20787 None
    cpd20809 None
    cpd20825 None
    cpd20830 None
    cpd20849 None
    cpd20851 None
    cpd20861 None
    cpd20879 None
    cpd20894 None
    cpd20895 None
    cpd20919 None
    cpd20920 None
    cpd20969 C19H26N3O20P3R2
    cpd20970 C25H39N5O21P3R2
    cpd21021 C5H6O11P2R2
    cpd21035 C12H11N4O2R
    cpd21046 C12H19N3O8R2
    cpd21047 C5H8N2O3R2
    cpd21048 C13H21N3O8R2
    cpd21054 C29H39O2R
    cpd21055 C14H17OR
    cpd21067 C3H3N2O2R
    cpd21068 C3H3N2O2R
    cpd21084 C17H29N3O10R3
    cpd21087 C7H11O3RS
    cpd21088 C8H13O3RS
    cpd21091 None
    cpd21102 None
    cpd21103 None
    cpd21107 C39H69N2O18R
    cpd21125 C5H7NO4R
    cpd21126 C11H15N2O7R
    cpd21127 C11H15N2O10PR
    cpd21128 C11H16N2O6R
    cpd21129 C11H20N3O5R
    cpd21145 None
    cpd21151 C25H41NO7PR2
    cpd21161 None
    cpd21162 None
    cpd21163 None
    cpd21164 None
    cpd21165 None
    cpd21166 None
    cpd21179 None
    cpd21180 None
    cpd21277 None
    cpd21278 None
    cpd21279 None
    cpd21282 None
    cpd21286 None
    cpd21290 None
    cpd21293 None
    cpd21302 None
    cpd21306 None
    cpd21307 None
    cpd21310 None
    cpd21311 None
    cpd21312 None
    cpd21313 None
    cpd21314 None
    cpd21318 None
    cpd21319 None
    cpd21320 None
    cpd21322 None
    cpd21323 None
    cpd21324 None
    cpd21325 None
    cpd21331 None
    cpd21332 None
    cpd21333 None
    cpd21334 None
    cpd21335 None
    cpd21336 None
    cpd21337 None
    cpd21338 None
    cpd21339 None
    cpd21340 None
    cpd21341 None
    cpd21344 None
    cpd21345 None
    cpd21346 None
    cpd21347 None
    cpd21348 None
    cpd21349 None
    cpd21350 None
    cpd21352 C13H17N6O7R5S
    cpd21353 C28H41N6O7R5S
    cpd21457 C11H11O4R
    cpd21500 None
    cpd21501 None
    cpd21502 None
    cpd21503 None
    cpd21504 None
    cpd21505 None
    cpd21506 None
    cpd21507 None
    cpd21508 None
    cpd21509 None
    cpd21510 None
    cpd21511 None
    cpd21512 None
    cpd21513 None
    cpd21514 None
    cpd21515 None
    cpd21516 None
    cpd21517 None
    cpd21518 None
    cpd21519 None
    cpd21520 None
    cpd21521 None
    cpd21522 None
    cpd21523 None
    cpd21524 None
    cpd21525 None
    cpd21526 None
    cpd21527 None
    cpd21528 None
    cpd21529 None
    cpd21530 None
    cpd21531 None
    cpd21532 None
    cpd21533 None
    cpd21534 None
    cpd21535 None
    cpd21536 None
    cpd21537 None
    cpd21538 None
    cpd21539 None
    cpd21540 None
    cpd21541 None
    cpd21542 None
    cpd21543 None
    cpd21544 None
    cpd21545 None
    cpd21546 None
    cpd21547 None
    cpd21548 None
    cpd21549 None
    cpd21550 None
    cpd21551 None
    cpd21552 None
    cpd21553 None
    cpd21554 None
    cpd21555 None
    cpd21556 None
    cpd21557 None
    cpd21558 None
    cpd21559 None
    cpd21560 None
    cpd21561 None
    cpd21562 None
    cpd21563 None
    cpd21564 None
    cpd21565 None
    cpd21566 None
    cpd21567 None
    cpd21568 None
    cpd21569 None
    cpd21570 None
    cpd21571 None
    cpd21572 None
    cpd21573 None
    cpd21574 None
    cpd21575 None
    cpd21576 None
    cpd21577 None
    cpd21578 None
    cpd21579 None
    cpd21580 None
    cpd21581 None
    cpd21582 None
    cpd21583 None
    cpd21584 None
    cpd21585 None
    cpd21586 None
    cpd21587 None
    cpd21588 None
    cpd21589 None
    cpd21590 None
    cpd21591 None
    cpd21592 None
    cpd21593 None
    cpd21594 None
    cpd21595 None
    cpd21596 None
    cpd21597 None
    cpd21598 None
    cpd21599 None
    cpd21600 None
    cpd21601 None
    cpd21602 None
    cpd21603 None
    cpd21604 None
    cpd21605 None
    cpd21606 None
    cpd21607 None
    cpd21608 None
    cpd21609 None
    cpd21610 None
    cpd21611 None
    cpd21612 None
    cpd21613 None
    cpd21614 None
    cpd21615 None
    cpd21616 None
    cpd21617 None
    cpd21618 None
    cpd21619 None
    cpd21620 None
    cpd21621 None
    cpd21622 None
    cpd21623 None
    cpd21624 None
    cpd21625 None
    cpd21626 None
    cpd21627 None
    cpd21628 None
    cpd21629 None
    cpd21630 None
    cpd21631 None
    cpd21632 None
    cpd21633 None
    cpd21634 None
    cpd21635 None
    cpd21636 None
    cpd21637 None
    cpd21638 None
    cpd21639 None
    cpd21640 None
    cpd21641 None
    cpd21642 None
    cpd21643 None
    cpd21644 None
    cpd21645 None
    cpd21646 None
    cpd21647 None
    cpd21648 None
    cpd21649 None
    cpd21650 None
    cpd21651 None
    cpd21652 None
    cpd21653 None
    cpd21654 None
    cpd21655 None
    cpd21656 None
    cpd21657 None
    cpd21658 None
    cpd21659 None
    cpd21660 None
    cpd21661 None
    cpd21662 None
    cpd21663 None
    cpd21664 None
    cpd21665 None
    cpd21666 None
    cpd21667 None
    cpd21668 None
    cpd21669 None
    cpd21670 None
    cpd21671 None
    cpd21672 None
    cpd21673 None
    cpd21674 None
    cpd21675 None
    cpd21676 None
    cpd21677 None
    cpd21678 None
    cpd21679 None
    cpd21680 None
    cpd21681 None
    cpd21682 None
    cpd21683 None
    cpd21684 None
    cpd21685 None
    cpd21686 None
    cpd21687 None
    cpd21688 None
    cpd21689 None
    cpd21690 None
    cpd21691 None
    cpd21692 None
    cpd21693 None
    cpd21694 None
    cpd21695 None
    cpd21696 None
    cpd21697 None
    cpd21698 None
    cpd21699 None
    cpd21700 None
    cpd21701 None
    cpd21702 None
    cpd21703 None
    cpd21704 None
    cpd21705 None
    cpd21706 None
    cpd21707 None
    cpd21708 None
    cpd21709 None
    cpd21710 None
    cpd21711 None
    cpd21712 None
    cpd21713 None
    cpd21714 None
    cpd21715 None
    cpd21716 None
    cpd21717 None
    cpd21718 None
    cpd21719 None
    cpd21720 None
    cpd21721 None
    cpd21722 None
    cpd21723 None
    cpd21724 None
    cpd21725 None
    cpd21726 None
    cpd21727 None
    cpd21728 None
    cpd21729 None
    cpd21730 None
    cpd21731 None
    cpd21732 None
    cpd21733 None
    cpd21734 None
    cpd21735 None
    cpd21736 None
    cpd21737 None
    cpd21738 None
    cpd21739 None
    cpd21740 None
    cpd21741 None
    cpd21742 None
    cpd21743 None
    cpd21744 None
    cpd21747 C18H30O16R2
    cpd21749 C15H24O13R2
    cpd21750 C5H6O5R2
    cpd21751 C18H30O16R2
    cpd21752 C24H40O21R2
    cpd21753 C20H32O17R2
    cpd21754 C24H40O21R2
    cpd21755 C18H21O17R2
    cpd21756 C24H40O19R2
    cpd21757 C30H48O25R2
    cpd21759 C30H48O25R2
    cpd21761 C12H20O11R2
    cpd21762 C12H20O11R2
    cpd21763 C27H49NO8PR
    cpd21764 C27H51NO8PR
    cpd21765 C27H51NO9PR
    cpd21766 C4H4O7PR
    cpd21767 C6H8O4R2
    cpd21768 C4H6O6PR
    cpd21769 C7H15NO6PR
    cpd21770 C5H8O7PR
    cpd21771 C8H19NO6PR
    cpd21772 C3H6O6PR
    cpd21773 C26H48NO9R
    cpd21778 CH2R2
    cpd21780 C4H6O7PR
    cpd21781 C6H8O5R2
    cpd21782 C11H14O19P3R2
    cpd21783 C11H14O19P3R2
    cpd21784 C11H15O16P2R2
    cpd21785 C17H26O18PR2
    cpd21786 C3H6O6PR2
    cpd21788 C19H31OR
    cpd21789 C21H29O2R
    cpd21791 C19H29OR
    cpd21792 C20H28O2R
    cpd21793 C20H30O2R
    cpd21795 C20H28OR
    cpd21796 C20H30OR
    cpd21797 C22H32NO18R2
    cpd21798 C11H16O10R2
    cpd21799 C17H26O15R2
    cpd21803 C14H17OR
    cpd21804 C15H24O13R2
    cpd21808 C18H30O16R2
    cpd21809 C24H41O21R
    cpd21810 C24H41O21R
    cpd21811 C10H13N3O11P2R2
    cpd21812 C10H13N3O11P2R2
    cpd21813 C10H13N3O11P2R2
    cpd21814 C10H13N3O11P2R2
    cpd21815 C11H14N5O11P2R2
    cpd21816 C11H13N5O10P2R2
    cpd21817 C11H13N5O11P2R2
    cpd21818 C11H13N5O11P2R2
    cpd21819 C11H13N5O11P2R2
    cpd21820 C10H12N2O12P2R2
    cpd21821 C10H13N3O11P2R2
    cpd21822 C24H30N10O16P3R2
    cpd21823 C11H14N5O11P2R2
    cpd21824 C10H11N5O10P2R2
    cpd21825 C20H22N10O16P3R2
    cpd21826 C9H11N3O11P2R2
    cpd21827 C9H11N3O11P2R2
    cpd21828 C9H11N3O11P2R2
    cpd21829 C9H11N3O11P2R2
    cpd21830 C10H11N5O11P2R2
    cpd21831 C10H11N5O11P2R2
    cpd21832 C10H11N5O11P2R2
    cpd21833 C10H11N5O11P2R2
    cpd21834 C10H11N5O11P2R2
    cpd21835 C9H10N2O12P2R2
    cpd21836 C9H10N2O12P2R2
    cpd21837 C9H10N2O12P2R2
    cpd21842 C10H12N2O12P2R2
    cpd21843 C24H30N10O16P3R2
    cpd21844 C20H22N10O16P3R2
    cpd21845 C9H10N2O12P2R2
    cpd21847 C20H38NO4R
    cpd21848 C11H17O8PR2
    cpd21849 C11H17N4O3R2
    cpd21850 C29H45N8O21P3R2S
    cpd21851 C6H13NO7PR
    cpd21855 C4H6O7PR
    cpd21856 C9H19NO7PR
    cpd21857 None
    cpd21859 C2H7NR
    cpd21866 C5H9O3R
    cpd21867 C9H15N2O5RS
    cpd21876 C2H2O3R
    cpd21877 C15HO3R9
    cpd21878 C6H13NO7PR
    cpd21879 C9H19NO7PR
    cpd21884 C11H14N5RS
    cpd21885 C12H15O3R
    cpd21886 C12H15O2R
    cpd21887 C22H34N2O11PR8
    cpd21888 None
    cpd21889 C10H13N3O11P2R2
    cpd21890 None
    cpd21891 C10H13N3O11P2R2
    cpd21892 C10H13N3O11P2R2
    cpd21893 C11H13N5O11P2R2
    cpd21894 C10H12N2O12P2R2
    cpd21895 C10H12N2O12P2R2
    cpd21896 C28H38O23R2
    cpd21897 C10H13N3O11P2R2
    cpd21898 C10H12N2O12P2R2
    cpd21903 None
    cpd21904 C2O3R
    cpd21910 C5H8O7PR
    cpd21913 C27H50O3R
    cpd21914 C12H17N3O8RS
    cpd21915 None
    cpd21916 C11H13N5O10P2R2
    cpd21917 C10H13O19P4R4
    cpd21918 C26H35N7O17P3RS
    cpd21919 C21H33O2R
    cpd21920 C10H12N2O12P2R2
    cpd21921 C9H10N2O12P2R2
    cpd21922 C9H10N2O12P2R2
    cpd21923 C9H10N2O12P2R2
    cpd21924 None
    cpd21928 C5H7O6PR
    cpd21929 C11H13N5O11P2R2
    cpd21930 C11H13N5O10P2R2
    cpd21931 C10H13N3O11P2R2
    cpd21932 C10H13N3O11P2R2
    cpd21933 C11H13N5O11P2R2
    cpd21934 C10H12N2O12P2R2
    cpd21935 C11H13N5O10P2R2
    cpd21936 C10H13N3O11P2R2
    cpd21937 C10H12N2O12P2R2
    cpd21938 C10H12N2O12P2R2
    cpd21939 C11H13N5O10P2R2
    cpd21940 C11H13N5O11P2R2
    cpd21941 C11H13N5O11P2R2
    cpd21942 C11H13N5O11P2R2
    cpd21943 C10H12N2O12P2R2
    cpd21944 C12H15N5O10P2R2
    cpd21945 C11H13N5O10P2R2
    cpd21946 C11H14N5O11P2R2
    cpd21947 C10H11N5O10P2R2
    cpd21948 C10H11N5O10P2R2
    cpd21949 C10H11N5O10P2R2
    cpd21950 C10H11N5O10P2R2
    cpd21951 C9H11N3O11P2R2
    cpd21952 C9H11N3O11P2R2
    cpd21953 C9H11N3O11P2R2
    cpd21954 C10H11N5O11P2R2
    cpd21955 C10H11N5O11P2R2
    cpd21956 C10H11N5O11P2R2
    cpd21957 C10H11N5O11P2R2
    cpd21958 C10H11N5O11P2R2
    cpd21959 C10H11N5O11P2R2
    cpd21960 C9H10N2O12P2R2
    cpd21961 C9H10N2O12P2R2
    cpd21962 C9H10N2O12P2R2
    cpd21963 C9H10N2O12P2R2
    cpd21964 C9H10N2O12P2R2
    cpd21965 C9H10N2O12P2R2
    cpd21966 C9H10N2O12P2R2
    cpd21967 C9H10N2O12P2R2
    cpd21968 C9H10N2O12P2R2
    cpd21969 C9H10N2O12P2R2
    cpd21970 C9H10N2O12P2R2
    cpd21971 C9H10N2O12P2R2
    cpd21972 C9H10N2O12P2R2
    cpd21973 C9H10N2O12P2R2
    cpd21974 C9H10N2O12P2R2
    cpd21975 C9H10N2O12P2R2
    cpd21976 None
    cpd21977 C28H44O6R4
    cpd21978 C28H46O3R2
    cpd21983 None
    cpd21984 None
    cpd21985 C29H46O6R4
    cpd21986 C29H46O5R4
    cpd21987 None
    cpd21988 None
    cpd21989 C4H6O4R
    cpd21990 C4H6O3R
    cpd21991 C2H2O3R
    cpd21992 C8H11O5R2
    cpd21993 C15H4O4R8
    cpd21994 C10H15O3R3
    cpd21997 C4H2O4R
    cpd21998 C14H24NO10R
    cpd21999 None
    cpd22002 C20H30O2R2
    cpd22003 C19H31OR
    cpd22004 C10H8N3O6R2S
    cpd22009 C6H9O6R
    cpd22010 C8H13O8R
    cpd22012 None
    cpd22013 None
    cpd22015 C36H58N3O10PR2S
    cpd22016 C6H10O2R2
    cpd22019 C15H3O3R9
    cpd22020 C5H8O6PR2
    cpd22021 C19H36N2O9PRS
    cpd22022 C20H34N3O12PR2S
    cpd22026 C25H35N7O18P3RS
    cpd22027 C20H32N3O12PR2S
    cpd22028 C22H36N3O12PR2S
    cpd22033 C12H12O4R
    cpd22034 None
    cpd22038 C28H38O23R2
    cpd22044 C36H56N3O10PR2S
    cpd22045 C19H29OR
    cpd22046 C19H29OR
    cpd22047 C19H27OR
    cpd22048 C19H27OR
    cpd22049 C19H29OR
    cpd22053 C5H8O7PR
    cpd22054 None
    cpd22055 C11H13O2R
    cpd22056 C5H7O10P2R2
    cpd22057 C5H8O7PR
    cpd22059 C12H19N4O3R2
    cpd22060 None
    cpd22061 C25H43N2O9PRS
    cpd22062 C27H48N2O9PRS
    cpd22063 C34H58N3O10PR2S
    cpd22064 None
    cpd22065 C22H38N3O12PR2S
    cpd22066 C78H149O2R
    cpd22067 C85H165O3R
    cpd22068 C86H164O3R
    cpd22069 C86H166O3R
    cpd22070 C86H165O3R
    cpd22071 C19H27OR
    cpd22072 C34H62N3O10PR2S
    cpd22073 C36H66N3O10PR2S
    cpd22074 C40H74N3O10PR2S
    cpd22075 C25H43N2O9PRS
    cpd22076 C27H47N2O9PRS
    cpd22077 C29H52N2O9PRS
    cpd22078 C34H56N3O10PR2S
    cpd22079 C38H70N3O10PR2S
    cpd22080 None
    cpd22081 C29H52N2O9PRS
    cpd22082 C5H6O9P2R3
    cpd22083 C5H7O6PR
    cpd22084 C21H30N3O11PR2S
    cpd22087 C6H8O6R
    cpd22088 C11H10O4R
    cpd22091 None
    cpd22093 C20H28O2R
    cpd22094 C20H28O2R
    cpd22095 C20H30O2R
    cpd22096 C20H28O2R
    cpd22097 C20H30O2R
    cpd22098 C20H30O2R
    cpd22099 C19H29OR
    cpd22100 C15HO3R9
    cpd22101 None
    cpd22102 None
    cpd22112 C12H12O3R
    cpd22113 C15H4O3R8
    cpd22117 C16H6O3R8
    cpd22121 C9H15N2O4RS
    cpd22122 None
    cpd22126 C12H14N2O14P2R2
    cpd22129 C13H17N3O14P2R2
    cpd22130 C5H8O6PR2
    cpd22132 None
    cpd22136 C11HO4R5
    cpd22139 C7H10N2O5R
    cpd22140 C5H9N2O3R
    cpd22145 C10H13N3O11P2R2
    cpd22148 C12H3O4R5
    cpd22149 C10H13N3O11P2R2
    cpd22150 C10H13N3O11P2R2
    cpd22151 C10H13N3O11P2R2
    cpd22152 C10H13N3O11P2R2
    cpd22153 C10H13N3O10P2R2
    cpd22155 None
    cpd22158 C5H7O9P2R2
    cpd22159 C5H7O9P2R2
    cpd22160 None
    cpd22161 C5H6O9P2R3
    cpd22162 None
    cpd22165 C12H15N3O14P2R2
    cpd22166 None
    cpd22167 None
    cpd22168 None
    cpd22169 C9H12N2O12P2R2
    cpd22170 C9H12N2O12P2R2
    cpd22171 C9H12N2O12P2R2
    cpd22172 C9H12N2O12P2R2
    cpd22173 C9H12N2O12P2R2
    cpd22174 C9H12N2O12P2R2
    cpd22175 C5H8O7PR2
    cpd22176 None
    cpd22177 None
    cpd22179 C20H34NO16R
    cpd22180 C28H47N2O21R
    cpd22182 C8H13O7R
    cpd22188 C6H10O9PR
    cpd22189 None
    cpd22190 None
    cpd22191 C18H28O15R4
    cpd22194 C22H35O22R2S
    cpd22196 C12H21O11R2
    cpd22201 C13H17O3R
    cpd22204 C19H31OR
    cpd22208 C19H29OR
    cpd22209 C15H6O2R8
    cpd22211 C16H8O2R8
    cpd22212 C11HO4R5
    cpd22213 C12H3O4R5
    cpd22216 C29H39O2R
    cpd22217 None
    cpd22218 None
    cpd22219 None
    cpd22220 None
    cpd22221 C25H46NO8R
    cpd22223 C4H7O4R
    cpd22224 None
    cpd22225 HO2R
    cpd22226 C8H5NO3R
    cpd22227 C29H46O28P2R2
    cpd22229 None
    cpd22230 C34H57N2O26R
    cpd22232 C56H95N3O31R
    cpd22234 C22H31N7O17P3RS
    cpd22235 C4H6O7PR
    cpd22236 C12H15O11R3
    cpd22237 C81H131O2R
    cpd22241 C10H12N5O10P2R
    cpd22242 None
    cpd22243 C21H33N9O14P2R2
    cpd22245 C10H12N5O10P2R
    cpd22249 C28H34N11O21P3R
    cpd22250 None
    cpd22251 C30H35O31R2
    cpd22256 C20H34NO16R
    cpd22257 C22H36O19R2
    cpd22263 C25H40N2O19R
    cpd22264 C36H56N3O27R
    cpd22266 None
    cpd22268 C8H14NO6R
    cpd22271 C15H31N3O2R2S2
    cpd22275 None
    cpd22276 C7H6NOR
    cpd22277 C21H18O10R2
    cpd22278 C5H8O11P2R2
    cpd22279 C3H6NO2R2
    cpd22280 None
    cpd22281 C28H34N11O21P3R
    cpd22284 C28H34N11O21P3R
    cpd22285 None
    cpd22286 C28H34N11O21P3R
    cpd22287 C32H39N12O24P3R
    cpd22288 C28H34N11O21P3R
    cpd22289 None
    cpd22290 None
    cpd22291 None
    cpd22292 C138H213O112R2
    cpd22293 C2H3O2R
    cpd22294 None
    cpd22295 C27H39O21R3
    cpd22296 CO2R
    cpd22297 C30H42N3O16PR2S
    cpd22298 C30H44N3O16PR2S
    cpd22299 C30H40N3O14PR2S
    cpd22300 None
    cpd22301 None
    cpd22302 None
    cpd22303 None
    cpd22304 None
    cpd22305 C7H13N2O3R
    cpd22306 CO5PR
    cpd22307 C5H6NO3R
    cpd22308 C5H7NO4R
    cpd22309 C15H25N3O9PR3S
    cpd22310 C6H13NO2R
    cpd22311 C20H22N10O22P5R2
    cpd22312 C14H19N7O9PR
    cpd22313 None
    cpd22314 C26H41O21R2
    cpd22315 C24H36O19R2
    cpd22316 None
    cpd22317 None
    cpd22318 HOR
    cpd22319 CHOR
    cpd22320 None
    cpd22321 C2H5O2R
    cpd22322 C2H2O3R
    cpd22323 C2H3O2R
    cpd22324 CH2NOR
    cpd22325 None
    cpd22326 CHNOR2
    cpd22327 CH5NR
    cpd22328 None
    cpd22329 CNR
    cpd22330 None
    cpd22331 C2H2NOR
    cpd22332 None
    cpd22333 C3H3OR
    cpd22334 CH3R
    cpd22335 CH2O3RS
    cpd22336 C3H3NO4RS2
    cpd22337 HO2R
    cpd22338 CH3ORS
    cpd22339 HRS
    cpd22340 C10H21NO7PR
    cpd22341 C6H12NO7PR2
    cpd22342 C8H14NO7PR2
    cpd22343 CH5NR
    cpd22344 None
    cpd22345 C10H14O14P3R4
    cpd22346 NR4
    cpd22347 None
    cpd22348 None
    cpd22349 C20H28O2R
    cpd22350 C20H30O2R
    cpd22351 C21H29O2R
    cpd22352 C20H28OR
    cpd22353 C2H4NO2R
    cpd22354 C6H11O6R
    cpd22355 C24H40O21R2
    cpd22356 C6H8O7R
    cpd22357 C6H11O6R
    cpd22359 C16H23N3O16P2R2
    cpd22361 C6H11O5R
    cpd22362 C20H40NO5R
    cpd22363 C18H29OR
    cpd22364 C2O4R
    cpd22366 None
    cpd22367 None
    cpd22368 H4NR
    cpd22369 C2H4NO2R
    cpd22370 C21H31N4O10PR2S
    cpd22371 None
    cpd22372 None
    cpd22373 C21H12O7R9
    cpd22374 C24H13O10R9
    cpd22375 C15H2OR9
    cpd22378 C3H6NO2R2
    cpd22379 C3H6NO2R2
    cpd22380 None
    cpd22381 C7H14N3O2R2
    cpd22382 C6H13N2O2R2
    cpd22383 None
    cpd22384 C6H13N2O2R2
    cpd22385 C15H19N5O16P3R2
    cpd22386 None
    cpd22387 C35H56O29R2
    cpd22388 C34H64N3O9PR2S
    cpd22389 CH5NR
    cpd22390 None
    cpd22391 None
    cpd22392 CO2R
    cpd22393 C2H4NO2R
    cpd22394 C2O3R
    cpd22395 CH3OR
    cpd22396 C2H2NOR
    cpd22397 None
    cpd22398 HOR
    cpd22399 CHOR
    cpd22400 C6H2NR5
    cpd22401 C6O4PR7
    cpd22402 O4RS
    cpd22403 C12H11O6R5
    cpd22404 C6O4R5S
    cpd22405 H3NR
    cpd22406 C28H47N2O21R
    cpd22407 None
    cpd22408 None
    cpd22409 None
    cpd22410 None
    cpd22411 None
    cpd22414 None
    cpd22415 C20H37N2O3R2S2
    cpd22416 C19H35N2O3R2S2
    cpd22417 C20H37N2O3R2S2
    cpd22418 C15H29N2O2R2S2
    cpd22419 C15H27N2O2R2S2
    cpd22420 None
    cpd22421 None
    cpd22422 C6H14N2OR2
    cpd22425 C14H24NO11R
    cpd22435 None
    cpd22439 None
    cpd22440 C2H4NO2R
    cpd22441 C36H68N3O9PR2S
    cpd22442 None
    cpd22444 None
    cpd22445 C15H28N2O9PRS
    cpd22446 C6H11O6R
    cpd22447 C6H11O6R
    cpd22448 None
    cpd22449 C6H8O7R
    cpd22450 C6H11O6R
    cpd22451 C6H11O5R
    cpd22452 C12H19O11R3
    cpd22453 C6H11O6R
    cpd22454 C6H11O6R
    cpd22455 C16H23N3O16P2R2
    cpd22456 C6H11O5R
    cpd22457 C5H9O5R
    cpd22458 C3H2NOR3
    cpd22459 None
    cpd22460 None
    cpd22461 None
    cpd22462 None
    cpd22463 None
    cpd22465 C16H27N4O3R2S
    cpd22466 C28H47N2O21R2
    cpd22467 None
    cpd22468 None
    cpd22469 None
    cpd22470 None
    cpd22471 None
    cpd22472 None
    cpd22473 C28H44O6R4
    cpd22474 BrR
    cpd22475 HRS
    cpd22477 None
    cpd22478 None
    cpd22481 None
    cpd22483 None
    cpd22484 None
    cpd22486 None
    cpd22487 None
    cpd22488 None
    cpd22490 None
    cpd22491 None
    cpd22492 None
    cpd22493 None
    cpd22494 None
    cpd22497 C78H151O2R
    cpd22499 C85H167O3R
    cpd22500 C86H167O3R
    cpd22501 C86H169O3R
    cpd22502 C86H167O3R
    cpd22506 None
    cpd22508 None
    cpd22509 None
    cpd22513 C13H16O17P2R4
    cpd22514 None
    cpd22515 None
    cpd22516 C20H29N3O15P2R2
    cpd22517 C14H17N3O15P2R2
    cpd22518 C24H40O19R2
    cpd22519 C28H50N4O19R2
    cpd22521 C8H12NO9R2S
    cpd22522 C8H11NO12R2S2
    cpd22523 C25H35N7O17P3RS
    cpd22524 C25H35N7O17P3RS
    cpd22526 C31H47N8O22P3R2S
    cpd22650 C15H5O2R9
    cpd22651 C17H26O15R2
    cpd22652 C23H36O20R2
    cpd22673 C15H5O2R9
    cpd22691 C44H64N4O33R2
    cpd22692 C46H66N4O34R2
    cpd22739 C7H11NO9PR
    cpd22775 C17H29N2O12R2
    cpd22779 C16H28ORS
    cpd22875 C50H85N3O26R
    cpd22880 C11H15O16P2R2
    cpd22881 C7H12NO6R
    cpd22882 C10H17O12PR
    cpd22885 C10H15NO9R
    cpd22911 C18H20O18R
    cpd22973 C6H6NO5R2
    cpd22974 C11H7O2R
    cpd22978 C15H5O3R9
    cpd22991 None
    cpd23000 None
    cpd23001 C2H4NO2R
    cpd23012 C16H21N5O10P2R2S
    cpd23013 C16H21N5O11P2R2S
    cpd23022 None
    cpd23036 C20H24N4O18P3R2
    cpd23037 C20H24N4O18P3R2
    cpd23039 None
    cpd23041 C20H24N4O18P3R2
    cpd23042 C18H18N4O18P3R4
    cpd23064 None
    cpd23065 None
    cpd23067 None
    cpd23068 None
    cpd23152 C25H35N4O12PR2S
    cpd23154 C21H30N3O11PR2S
    cpd23182 Pt
    cpd23226 C24H35N4O11PR2S2
    cpd23227 C17H32N4O9PR2S2
    cpd23228 C24H33N4O10PR2S2
    cpd23229 C27H36N5O10PR2S3
    cpd23230 C27H38N5O10PR2S3
    cpd23231 C28H40N5O10PR2S3
    cpd23232 C17H32N4O9PR2S2
    cpd23241 None
    cpd23242 None
    cpd23243 None
    cpd23269 C15H17N3O4R4
    cpd23270 C22H18N4O4R4
    cpd23271 C12H12N2O3R4S
    cpd23362 C28H43N10O15P2R2
    cpd23379 None
    cpd23380 None
    cpd23381 None
    cpd23418 None
    cpd23442 C14H13N3O4R4S
    cpd23507 C4H4O3R
    cpd23590 C38H35FeN6O6R2S
    cpd23642 None
    cpd23655 C19H17O8R
    cpd23672 C7H9O6R
    cpd23673 C6H6O6R
    cpd23674 C6H6O6R
    cpd23676 C12H14O13R2
    cpd23677 C6H6O6R
    cpd23681 C6H8N2O5R
    cpd23691 C24H36O31R2S4
    cpd23722 C39H69N2O18R
    cpd23723 C45H79N2O23R
    cpd23750 None
    cpd23753 C30H34O4R2
    cpd23771 None
    cpd23773 None
    cpd23774 None
    cpd23775 None
    cpd23835 None
    cpd23912 None
    cpd23913 None
    cpd24008 None
    cpd24058 C59H85O49R2
    cpd24059 C62H86O51R2
    cpd24093 None
    cpd24094 None
    cpd24120 C17H17N4O9PRS
    cpd24185 None
    cpd24290 None
    cpd24313 C34H40N3O15PR2S
    cpd24314 C34H38N3O16PR2S
    cpd24315 C34H40N3O16PR2S
    cpd24328 None
    cpd24348 C7H10NO6R
    cpd24349 C9H16NO8PR2
    cpd24352 C11H16O10R2
    cpd24354 C11H15O16P2R2
    cpd24360 C19H26N4O16PR
    cpd24362 C18H30NO5R
    cpd24363 Cs
    cpd24365 Tl
    cpd24384 C7H12NO6R
    cpd24458 C8H9N3O6R3
    cpd24459 C24H43N3O5R
    cpd24463 C8H14NO8PR2
    cpd24466 C4H7O4R
    cpd24471 C16H28O7PR
    cpd24479 C3H3NO3R
    cpd24480 C6H8N2O4R
    cpd24481 C26H39N7O17P3RS
    cpd24489 C19H29NO18PR2
    cpd24552 C4H7O4R
    cpd24580 C21H33N9O14P2R2
    cpd24588 C15H30NO2R
    cpd24592 C25H26N8O8R
    cpd24595 C5H4NO5R
    cpd24604 Fe2R4S6
    cpd24609 C11H12N5O8PR
    cpd24626 C10H14NO12PR
    cpd24627 C13H20N2O7R2
    cpd24628 C5H9N2O3RS
    cpd24630 C5H7NO2R2
    cpd24666 C8H9N3O2R2
    cpd24687 C21H30NO12R2
    cpd24743 C56H95N3O31R
    cpd24760 C3H5NO3R2S
    cpd24761 C3H6NO2R2S
    cpd24762 C28H47N2O21R
    cpd24763 C16H27N2O11R
    cpd24764 C15H25O13R
    cpd24765 C10H17O9R
    cpd25081 None
    cpd25082 None
    cpd25083 C21H41O29P3R
    cpd25084 C15H23O8PR3
    cpd25086 None
    cpd25088 None
    cpd25089 C14H24NO11R2
    cpd25247 C7H11NO9PR
    cpd25333 C10H14O14P3R4
    cpd25336 None
    cpd25337 None
    cpd25338 None
    cpd25339 C23H32N5O18P2R2
    cpd25340 C13H17N3O14P2R2
    cpd25341 C6H11O6R
    cpd25342 C12H20N3O7R2
    cpd25344 C5H9O5R
    cpd25345 C5H7O5R
    cpd25346 C3H4NO2R3
    cpd25347 C9H17N2O6R3
    cpd25348 C8H14NO6R
    cpd25350 C4H6O3R
    cpd25351 C6H14N2OR2
    cpd25352 C7H16N2OR2
    cpd25353 C6H8O7R
    cpd25354 C20H34NO15R
    cpd25355 C8H14NO6R
    cpd25368 C5H8O12P3R2
    cpd25369 C25H34N5O29P5R3
    cpd25372 C6H10NO2R2
    cpd25504 None
    cpd25559 None
    cpd25560 None
    cpd25568 None
    cpd25594 None
    cpd25620 C8H11N2O5PR
    cpd25790 None
    cpd25869 None
    cpd25892 None
    cpd25910 C11H11O3R
    cpd25922 C10H24N3OR2
    cpd25976 Fe2N2R6S4
    cpd25977 None
    cpd26004 None
    cpd26005 None
    cpd26006 C39H64N8O20R
    cpd26007 C8H14NO5R
    cpd26008 C36H57N7O18R
    cpd26009 C36H56N10O17R2
    cpd26010 C18H29N5O9R
    cpd26011 C18H29N5O9R
    cpd26012 C15H24N4O8R
    cpd26013 C33H51N9O16R2
    cpd26014 C32H52N4O21R2
    cpd26015 C30H51N4O20R2
    cpd26021 None
    cpd26084 None
    cpd26096 None
    cpd26118 None
    cpd26157 O2U
    cpd26166 None
    cpd26167 None
    cpd26195 None
    cpd26208 None
    cpd26226 None
    cpd26235 BaCl2
    cpd26237 None
    cpd26238 None
    cpd26251 None
    cpd26252 None
    cpd26254 None
    cpd26255 C15H17N5O14P2R2
    cpd26291 None
    cpd26301 None
    cpd26330 None
    cpd26333 None
    cpd26338 C12H18N3O10P2R2
    cpd26339 C13H17N5O9P2R2
    cpd26340 C11H16N3O11P2R2
    cpd26341 C12H18N3O11P2R2
    cpd26342 C12H15N5O10P2R2
    cpd26343 C13H17N5O10P2R2
    cpd26360 None
    cpd26366 None
    cpd26381 None
    cpd26382 None
    cpd26386 None
    cpd26390 None
    cpd26405 None
    cpd26406 C13H14N2O17P2R2
    cpd26418 None
    cpd26419 None
    cpd26420 None
    cpd26421 None
    cpd26422 None
    cpd26466 None
    cpd26468 C10H14O16P3R4
    cpd26469 None
    cpd26470 None
    cpd26471 None
    cpd26472 None
    cpd26474 La
    cpd26477 None
    cpd26478 None
    cpd26483 None
    cpd26484 None
    cpd26485 None
    cpd26486 None
    cpd26487 None
    cpd26488 None
    cpd26493 None
    cpd26494 None
    cpd26495 None
    cpd26497 None
    cpd26499 None
    cpd26500 None
    cpd26501 None
    cpd26502 None
    cpd26503 None
    cpd26513 C10H13N2O7R
    cpd26537 None
    cpd26546 None
    cpd26547 C6H11O5R
    cpd26549 C10H13N3O11P2R2
    cpd26572 None
    cpd26573 None
    cpd26574 None
    cpd26575 None
    cpd26576 None
    cpd26597 C19H38NO3R
    cpd26607 C4H6O2R
    cpd26660 None
    cpd26662 C20H30OR
    cpd26663 C20H28OR
    cpd26664 C20H30OR
    cpd26668 C28H34N11O21P3R
    cpd26670 None
    cpd26671 None
    cpd26672 C14H19N7O9PR
    cpd26673 None
    cpd26674 C17H26N4O5R2S
    cpd26675 CO2R
    cpd26676 CO2R2
    cpd26677 None
    cpd26678 None
    cpd26679 None
    cpd26680 C4H5N2O3R4
    cpd26681 C28H44O5R4
    cpd26682 C6H2O2R4
    cpd26683 C24H40O19R2
    cpd26684 None
    cpd26685 C4H7NO3R2
    cpd26686 C40H76N3O9PR2S
    cpd26687 C15H11O4R
    cpd26688 C31H40N12O22P3R
    cpd26689 C34H48N15O22P3R
    cpd26690 C32H40N13O23P3R
    cpd26691 C32H39N12O24P3R
    cpd26692 C31H40N12O22P3RS
    cpd26693 C33H43N13O23P3R
    cpd26694 C33H41N12O24P3R
    cpd26695 C30H38N12O22P3R
    cpd26696 C34H42N14O22P3R
    cpd26697 C34H46N12O22P3R
    cpd26698 C34H46N12O22P3R
    cpd26699 C34H48N13O22P3R
    cpd26700 C33H44N12O22P3RS
    cpd26701 C37H44N12O22P3R
    cpd26702 C33H42N12O22P3R
    cpd26703 C40H54N14O23P3R
    cpd26704 C31H39N12O22P3RSe
    cpd26705 C31H40N12O23P3R
    cpd26706 C32H42N12O23P3R
    cpd26707 C39H45N13O22P3R
    cpd26708 C37H44N12O23P3R
    cpd26709 C33H44N12O22P3R
    cpd26710 C8H12N2O3R2S
    cpd26711 C32H52N4O21R2
    cpd26712 C20H37N3O14R2
    cpd26713 C14H25N2O8R2
    cpd26714 ClR
    cpd26715 C28H45O2R
    cpd26716 C6H7O7R2
    cpd26717 C8H12NO9R2S
    cpd26718 C8H13NO6R2
    cpd26719 C14H19NO15R2S
    cpd26720 C14H19NO15R2S
    cpd26721 C6H6O10R2S
    cpd26723 C14H18NO18R2S2
    cpd26725 C25H35N7O17P3RS
    cpd26726 C23H39N2O8PRS
    cpd26727 C25H43N2O8PRS
    cpd26728 C15H19N5O11P2R2
    cpd26729 C21H38N2O8PRS
    cpd26730 C29H54N2O8PRS
    cpd26731 None
    cpd26732 None
    cpd26736 None
    cpd26737 None
    cpd26738 None
    cpd26739 None
    cpd26740 None
    cpd26741 None
    cpd26742 None
    cpd26743 C54H80CoN14O9R2
    cpd26744 C54H80CoN14O9R2
    cpd26745 C54H80CoN14O9R2
    cpd26746 None
    cpd26747 None
    cpd26748 C4H5N2O3R4
    cpd26749 None
    cpd26750 None
    cpd26751 C11H11O4R
    cpd26752 C8H14NO6R2
    cpd26753 C3H6NO2R2
    cpd26754 None
    cpd26755 C15H26N2O8PRS
    cpd26756 None
    cpd26757 None
    cpd26760 C40H68N20O16R2
    cpd26761 C44H72N21O20R
    cpd26762 C5H7O6PR
    cpd26763 C5H7O6PR
    cpd26764 None
    cpd26765 None
    cpd26766 C5H6O9P2R2
    cpd26767 None
    cpd26768 None
    cpd26769 None
    cpd26770 C9H11N3O11P2R2
    cpd26771 C9H11N3O11P2R2
    cpd26772 C9H11N3O11P2R2
    cpd26773 C9H11N3O11P2R2
    cpd26774 C6H14N2OR2
    cpd26775 C5H10NOR2S
    cpd26776 C7H16N4OR2
    cpd26777 C7H16N2OR2
    cpd26778 C6H13NOR2S
    cpd26779 C6H14N4OR2
    cpd26780 C34H30FeN4O4R
    cpd26781 C34H30FeN4O4R
    cpd26782 None
    cpd26783 None
    cpd26784 C34H32FeN4O4R2S2
    cpd26785 C34H32FeN4O4R2S2
    cpd26786 None
    cpd26787 None
    cpd26788 C34H32FeN4O4R2S2
    cpd26789 C34H32FeN4O4R2S2
    cpd26790 FeR
    cpd26791 FeR
    cpd26792 C34H32FeN4O6R
    cpd26793 C34H32FeN4O6R
    cpd26794 C34H32FeN4O4R2S2
    cpd26795 C34H32FeN4O4R2S2
    cpd26796 C34H32FeN4O4R2S2
    cpd26797 C9H11N3O11P2R2
    cpd26798 C9H11N3O11P2R2
    cpd26799 C9H11N3O11P2R2
    cpd26800 C9H11N3O11P2R2
    cpd26801 C9H11N3O11P2R2
    cpd26802 C25H37N7O18P3RS
    cpd26804 C3H3N2O2R
    cpd26809 CHOR
    cpd26810 C2H4NO2R
    cpd26812 C37H66NO18R
    cpd26816 C5H9N2O3R
    cpd26817 C11H18N2O7R3
    cpd26819 C11H16O10R2
    cpd26820 C21H31NO19R2S
    cpd26823 None
    cpd26826 C23H36N4O9PR2S
    cpd26828 C5H9O4R
    cpd26834 C24H41O21R
    cpd26835 C6H8O7R
    cpd26839 C25H35N7O17P3RS
    cpd26841 None
    cpd26848 C10H14O14P3R4
    cpd26849 C6H7O7R2
    cpd26850 None
    cpd26853 C42H70N3O31R
    cpd26855 C5H6O5R2
    cpd26856 C5H6O11P2R2
    cpd26857 None
    cpd26863 C14H27N2O2R2S2
    cpd26871 C4H6N2O3R2
    cpd26873 C13H23N5O2R2
    cpd26874 C13H21N4O3R2
    cpd26878 None
    cpd26884 C10H14N5O10P2R2
    cpd26885 C11H13N5O9P2R2
    cpd26886 C11H13N5O10P2R2
    cpd26887 C10H11N5O9P2R2
    cpd26888 C18H18N4O18P3R4
    cpd26889 None
    cpd26890 None
    cpd26891 C20H26N4O9R4
    cpd26892 C9H11N3O10P2R2
    cpd26893 C10H11N5O10P2R2
    cpd26894 None
    cpd26895 C10H13N3O11P2R2
    cpd26896 C10H14O14P3R4
    cpd26897 C10H13N3O10P2R2
    cpd26898 None
    cpd26899 None
    cpd26900 None
    cpd26901 C10H11N5O9P2R2
    cpd26902 C10H10N4O10P2R2
    cpd26903 None
    cpd26904 C20H26N4O21P4R4
    cpd26905 None
    cpd26906 C5H8O10P2R2
    cpd26907 None
    cpd26908 C10H15O15P3R3
    cpd26909 C11H15N5O11P2R2
    cpd26910 None
    cpd26911 C10H11N5O9P2R3
    cpd26912 None
    cpd26913 C9H10N2O11P2R2
    cpd26914 None
    cpd26915 C36H56N3O9PR2S
    cpd26916 C36H58N3O9PR2S
    cpd26917 None
    cpd26923 None
    cpd26924 None
    cpd26925 C92H151N8O25P2R
    cpd26926 None
    cpd26927 None
    cpd26928 OR
    cpd26929 None
    cpd26930 C33H51N7O17P3RS
    cpd26931 C6H6O6R
    cpd26933 C27H48N2O8PRS
    cpd26934 C27H48N2O8PRS
    cpd26935 C13H17O4R
    cpd26936 HR
    cpd26937 C15H15O2R
    cpd26938 C15H13O2R
    cpd26939 C5H9O9P2R
    cpd26940 C5H8O6PR
    cpd26941 C5H9O12P3R
    cpd26942 C5H9O3R
    cpd26943 C5H9O3R
    cpd26944 C6H14N2O3R2
    cpd26945 None
    cpd26946 C5H8O10P2R2
    cpd26947 C8H12NO9R2S
    cpd26948 C8H11NO12R2S2
    cpd26949 C8H13NO6R2
    cpd26950 C28H37N2O32R2S3
    cpd26951 C6H6O10R2S
    cpd26953 C30H44OR4
    cpd26954 None
    cpd26955 None
    cpd26956 C20H31O13R2
    cpd26957 None
    cpd26958 C3H5O3R3
    cpd26959 C12H19NO7R2
    cpd26960 C8H11NO5R3S
    cpd26961 C9H13NO7R2
    cpd26962 O4PR2
    cpd26963 None
    cpd26964 C21H29O2R
    cpd26965 C14H27N2O2R2S2
    cpd26968 C15H3O3R9
    cpd26971 C10H12O8PR6
    cpd26973 C6H8N2O5R
    cpd26974 C8H11N4O3R
    cpd26975 C7H13N2O3RS
    cpd26976 C7H11N2O3R
    cpd26977 R2S2
    cpd26978 H2R
    cpd26979 None
    cpd26980 None
    cpd26981 None
    cpd26982 C30H42O32P6R8
    cpd26983 None
    cpd26984 C6H9N2O2R3S2
    cpd26985 C6H11N2O2R3S3
    cpd26986 None
    cpd26987 None
    cpd26988 None
    cpd26990 None
    cpd26991 None
    cpd26994 C34H54N3O9PR2S
    cpd26995 None
    cpd26996 C10H24N3O2R2
    cpd26997 C6H14N2OR2
    cpd26998 None
    cpd27000 C3H3NRS
    cpd27003 None
    cpd27005 C13H10N4O2R
    cpd27006 C13H13N4O2R
    cpd27011 C6H2O2R4
    cpd27012 C6O2R4
    cpd27013 None
    cpd27014 None
    cpd27015 None
    cpd27016 None
    cpd27017 C9H11N3O11P2R2
    cpd27018 C11H13N3O12P2R2
    cpd27019 C4H2OR4
    cpd27020 C20H32N3O11PR2S
    cpd27021 C22H36N3O11PR2S
    cpd27026 None
    cpd27028 None
    cpd27029 C34H30FeN4O4R
    cpd27030 None
    cpd27031 C34H30FeN4O4R
    cpd27033 C15H2O2R10
    cpd27039 C20H21N7O6R
    cpd27043 None
    cpd27044 None
    cpd27045 None
    cpd27046 None
    cpd27047 C4H5N2O3R4
    cpd27048 None
    cpd27049 C4H5N2O3R4
    cpd27050 None
    cpd27051 None
    cpd27052 None
    cpd27053 None
    cpd27054 None
    cpd27055 None
    cpd27056 CO2R
    cpd27057 C3H5O2R
    cpd27058 CO2R
    cpd27059 C22H31N7O17P3RS
    cpd27060 CHOR
    cpd27061 C3H5O2R
    cpd27062 FeR
    cpd27063 None
    cpd27064 None
    cpd27065 C40H38FeN7O5R2
    cpd27066 C40H38FeN7O5R2
    cpd27067 C10H9O3R
    cpd27068 C4H5N2O2R4
    cpd27069 None
    cpd27070 None
    cpd27071 None
    cpd27072 C15H4O2R10
    cpd27074 C15O2R10
    cpd27075 None
    cpd27076 C26H23O12R5
    cpd27077 C24H12O11R9
    cpd27078 C21H11O8R9
    cpd27079 C21H15O8R5
    cpd27080 C21H15O8R5
    cpd27081 C27H25O12R5
    cpd27082 C21H12O9R8
    cpd27083 C42H37O20R9
    cpd27084 C27H21O13R9
    cpd27085 C33H31O18R9
    cpd27086 C15HO3R9
    cpd27088 C2H3NOR2
    cpd27089 C2H4NOR2
    cpd27090 C25H30N4O9R
    cpd27091 None
    cpd27092 None
    cpd27093 None
    cpd27095 None
    cpd27096 C15H19N5O19P4R2
    cpd27097 C22H37N2O16R
    cpd27100 C28H34N11O21P3R
    cpd27101 C28H34N11O21P3R
    cpd27104 C19H31N3O12R3
    cpd27105 C42H70N3O31R2
    cpd27106 C27H44N4O17R3
    cpd27107 C34H57N2O26R2
    cpd27108 C15H20NO7R2
    cpd27110 C7H10O7R
    cpd27111 C6H8O7R
    cpd27112 C12H18O12R
    cpd27113 C33H41N12O24P3R
    cpd27115 C28H34N11O21P3R
    cpd27116 C28H34N11O21P3R
    cpd27117 None
    cpd27118 C24H37N2O20R
    cpd27121 None
    cpd27122 None
    cpd27123 None
    cpd27124 C9H10NO2R2
    cpd27125 C12H21O10R
    cpd27130 C29H48O25R2
    cpd27131 C20H34NO16R2
    cpd27132 C34H54N2O27R2
    cpd27133 C8H14NO6R
    cpd27134 None
    cpd27135 None
    cpd27136 None
    cpd27137 C6H11O6R
    cpd27138 C6H11O6R
    cpd27139 C18H31O15R
    cpd27140 C17H26O15R2
    cpd27141 C6H11O6R
    cpd27142 C5H9N2O3R
    cpd27143 C18H29OR
    cpd27144 C6H14N2OR2
    cpd27145 C48H74O41R2
    cpd27146 None
    cpd27147 None
    cpd27148 HO4PR
    cpd27149 C4H5N2O3R4
    cpd27150 C17H28N2O6R6
    cpd27151 None
    cpd27152 C63H104N2O52R
    cpd27153 C80H133N4O62R2
    cpd27154 C26H41NO22R2
    cpd27155 C12H16NO17R2S2
    cpd27156 C12H16NO17R2S2
    cpd27157 C34H54N2O27R2
    cpd27158 None
    cpd27159 None
    cpd27160 None
    cpd27161 None
    cpd27162 C22H33N3O21P2R2
    cpd27163 None
    cpd27164 C24H40O21R2
    cpd27167 C7H11NO9RS2
    cpd27168 C25H48NO8R
    cpd27169 C25H46NO8R
    cpd27170 None
    cpd27171 C6H11O6R
    cpd27172 C27H41O23R2
    cpd27173 C52H81O43R2
    cpd27174 C6H8O6R
    cpd27175 C22H33O19R2
    cpd27176 C37H57O31R2
    cpd27178 None
    cpd27179 None
    cpd27180 C20H34N3O11PR2S
    cpd27181 None
    cpd27183 C3H7O6PR
    cpd27184 None
    cpd27185 None
    cpd27186 C204H340O171R2
    cpd27187 C4H6N2O2R3
    cpd27188 C4H6N2O2R3
    cpd27189 C15H21NO14R2S
    cpd27190 C4H6NO3R3
    cpd27191 C16H23N3O17P2R2
    cpd27192 None
    cpd27193 None
    cpd27194 C44H74N9O13PR2S
    cpd27195 C7H4O2R4
    cpd27196 C10H11N5O11P2R2
    cpd27197 C10H11N5O11P2R2
    cpd27198 C10H11N5O11P2R2
    cpd27199 C20H22N10O18P3R2
    cpd27200 C10H11N5O11P2R2
    cpd27201 C10H11N5O11P2R2
    cpd27202 C10H11N5O11P2R2
    cpd27203 C10H11N5O11P2R2
    cpd27204 C10H11N5O11P2R2
    cpd27205 C10H11N5O11P2R2
    cpd27206 None
    cpd27207 None
    cpd27209 C24H30N2O39R2S6
    cpd27210 C6H12NO5R2
    cpd27211 C6H11NO8R2S
    cpd27212 None
    cpd27214 None
    cpd27217 None
    cpd27218 C28H34N11O21P3R
    cpd27219 None
    cpd27220 C29H45N8O21P3R2S
    cpd27221 C22H31N7O17P3RS
    cpd27223 C7H4O4R
    cpd27224 C9H7N2O5R2S
    cpd27226 None
    cpd27227 C2H2O2R
    cpd27228 None
    cpd27229 C6H11O6R
    cpd27230 None
    cpd27231 C6H8NO14R2S3
    cpd27232 C6H9NO11R2S2
    cpd27233 C8H13NO6R2
    cpd27234 C8H12NO9R2S
    cpd27235 C8H14NO6R
    cpd27236 C7H10O6R
    cpd27237 C6H9NO11R2S2
    cpd27238 C6H10NO8R2S
    cpd27239 C6H13NO5R
    cpd27240 C12H17NO14R2S
    cpd27241 C12H16NO17R2S2
    cpd27242 C12H16NO17R2S2
    cpd27243 C12H17NO14R2S
    cpd27244 C6H10NO8R2S
    cpd27245 C6H9NO11R2S2
    cpd27246 C30H42N3O16PR2S
    cpd27247 C31H58N3O9PR2S
    cpd27248 None
    cpd27250 C11H13N5O10P2R2
    cpd27251 C10H11N5O10P2R2
    cpd27252 C6H14N4OR2
    cpd27253 C7H16N4OR2
    cpd27254 None
    cpd27255 None
    cpd27256 C14H26N3O8PR2S
    cpd27257 C14H26N3O8PR2S
    cpd27258 None
    cpd27259 C29H45N8O21P3R2S
    cpd27260 None
    cpd27261 C28H40N2O23R2
    cpd27262 C8H14NO6R
    cpd27263 C7H10O6R
    cpd27264 None
    cpd27265 None
    cpd27266 None
    cpd27267 None
    cpd27268 C51H89N2O27R
    cpd27269 C28H34N11O21P3R
    cpd27272 None
    cpd27281 None
    cpd27295 C26H50NO13PR
    cpd27296 None
    cpd27297 None
    cpd27298 None
    cpd27301 CNRS
    cpd27303 None
    cpd27304 None
    cpd27305 None
    cpd27306 None
    cpd27309 C25H48NO11PR
    cpd27310 C4H5N2O3R4
    cpd27311 None
    cpd27312 C18H31O15R
    cpd27313 IR
    cpd27314 None
    cpd27316 C21H11O8R9
    cpd27317 C15O2R10
    cpd27327 None
    cpd27329 C28H46N2O21R2
    cpd27330 C28H42N2O33R2S4
    cpd27332 C18H35N3O13PR2
    cpd27333 C18H36N3O10R2
    cpd27334 C6H9O9R2S
    cpd27335 C6H10O6R2
    cpd27336 C8H13NO6R2
    cpd27337 C8H12NO9R2S
    cpd27339 C7H12NO8PR2
    cpd27340 C8H12O10PR2
    cpd27341 C8H11O13P2R2
    cpd27342 C8H11NO10PR2
    cpd27343 C11H16O13PR2
    cpd27344 C2H4NO2R
    cpd27345 C25H37N7O18P3RS
    cpd27347 C3H3N2O2R
    cpd27352 C2H4NO2R
    cpd27353 C4H6N2O3R2
    cpd27354 C20H32O16R2
    cpd27355 C3H6NOR2S
    cpd27356 None
    cpd27363 C5H8NO3RS
    cpd27364 C5H8NO3R
    cpd27366 C7H13N2O2R2S
    cpd27368 C5H5O8PR2
    cpd27369 None
    cpd27370 C6H11O5R
    cpd27372 C31H39N12O26P4R
    cpd27374 C32H39N12O24P3R
    cpd27375 C9H16NO6R2
    cpd27376 C33H41N12O24P3R
    cpd27377 C6H13NOR
    cpd27378 C33H44N12O22P3RS
    cpd27380 C31H40N12O23P3R
    cpd27381 C3H6NO2R2
    cpd27382 C3H5NO5PR2
    cpd27383 C28H34N11O21P3R
    cpd27385 None
    cpd27387 C3H4OR2
    cpd27388 C28H34N11O21P3R
    cpd27389 C9H17N2O4R
    cpd27390 C68H113N4O52R2
    cpd27391 C76H126N5O60PR2
    cpd27394 C31H56NO13R
    cpd27395 C45H79N2O23R
    cpd27397 C24H34O39R2S6
    cpd27398 None
    cpd27399 None
    cpd27400 None
    cpd27401 C24H41O21R
    cpd27402 None
    cpd27403 None
    cpd27404 C38H72N3O9PR2S
    cpd27409 None
    cpd27410 C12H21O11R
    cpd27411 C18H31OR
    cpd27412 None
    cpd27413 None
    cpd27414 HR
    cpd27415 C162H281N2O89P4R
    cpd27416 None
    cpd27417 None
    cpd27418 C14H25N2O2R2S2
    cpd27419 C27H49N3O9PR3S
    cpd27420 C15H29O2R
    cpd27421 C13H25OR
    cpd27422 CO2R
    cpd27423 C2H2O2R2
    cpd27424 C13H24O2R
    cpd27425 HO16P5R
    cpd27426 C13H27OR
    cpd27427 None
    cpd27428 C15H24N5O12P2R2
    cpd27429 C3H8NO2R2
    cpd27430 C4H6O7PR2
    cpd27431 C34H48N13O22P3R
    cpd27433 C18H31O16R
    cpd27434 None
    cpd27439 C26H44NO21R
    cpd27440 None
    cpd27441 C15H27O16PR
    cpd27442 C18H31O16R
    cpd27443 C28H34N11O21P3R
    cpd27445 C69H99CoN16O15PR2
    cpd27448 C55H83CoN14O9R2
    cpd27449 C20H21N7O5R
    cpd27454 C38H70NO26P2R
    cpd27455 C32H60NO18PR
    cpd27456 C10H17O9R
    cpd27458 None
    cpd27459 None
    cpd27460 None
    cpd27461 None
    cpd27462 None
    cpd27463 None
    cpd27464 None
    cpd27465 None
    cpd27466 None
    cpd27467 None
    cpd27468 None
    cpd27469 None
    cpd27470 None
    cpd27471 None
    cpd27472 None
    cpd27473 None
    cpd27474 None
    cpd27475 None
    cpd27476 None
    cpd27477 None
    cpd27478 None
    cpd27479 None
    cpd27480 None
    cpd27481 None
    cpd27482 None
    cpd27484 None
    cpd27485 C54H80CoN14O9R2
    cpd27486 None
    cpd27487 C31H47N8O22P3R2S
    cpd27488 C32H46N8O24P3R2S
    cpd27489 None
    cpd27490 C18H31O16R
    cpd27491 C24H40O21R2
    cpd27492 C20H34NO16R
    cpd27493 C58H96N5O42R2
    cpd27496 None
    cpd27497 None
    cpd27498 None
    cpd27499 C6H11O6R
    cpd27500 C16H17O2R
    cpd27501 C16H15O2R
    cpd27503 None
    cpd27504 C26H39N2O3R2
    cpd27505 C26H39N2O2R2
    cpd27506 C24H31N4O8R
    cpd27507 C68H96CoN16O15PR2
    cpd27509 CH3RS
    cpd27510 CH3R
    cpd27511 C55H83CoN14O9R2
    cpd27512 C55H83CoN14O9R2
    cpd27513 C55H83CoN14O9R2
    cpd27514 C55H83CoN14O9R2
    cpd27515 C55H83CoN14O9R2
    cpd27516 None
    cpd27517 C55H83CoN14O9R2
    cpd27518 CH3R
    cpd27519 C19H24O17R2
    cpd27520 C3H5OR
    cpd27521 None
    cpd27522 None
    cpd27523 None
    cpd27524 None
    cpd27525 C11H16N3O11P2R2Se
    cpd27526 C14H21O9R2
    cpd27527 None
    cpd27528 None
    cpd27529 CH4NR2
    cpd27530 CO2R
    cpd27531 CH2NOR
    cpd27532 None
    cpd27533 C2H3O2R
    cpd27534 None
    cpd27535 HO7P2R
    cpd27536 C54H80CoN14O9R2
    cpd27537 C54H80CoN14O9R2
    cpd27538 C54H80CoN14O9R2
    cpd27539 C54H80CoN14O9R2
    cpd27540 C54H80CoN14O9R2
    cpd27541 None
    cpd27542 None
    cpd27543 C20H34N3O13R2S2
    cpd27544 C6H14N4OR2
    cpd27545 C7H16N4OR2
    cpd27546 None
    cpd27547 None
    cpd27548 None
    cpd27549 None
    cpd27550 None
    cpd27551 C25H48N2O8PRS
    cpd27552 C10H22N3OR2
    cpd27553 C10H22N3OR2
    cpd27554 C15H19N5O10P2R2
    cpd27555 C22H37N2O16R
    cpd27556 C22H37N2O16R
    cpd27557 C30H50N3O21R
    cpd27558 C22H37N2O16R
    cpd27559 C8H14NO6R
    cpd27560 None
    cpd27561 C53H92N3O28R
    cpd27562 C53H92N3O28R
    cpd27564 C33H54N4O22R3
    cpd27565 C8H14NO6R
    cpd27570 C11H17NO9R
    cpd27571 None
    cpd27572 C3H2NO3R2
    cpd27573 C5H4NO5R
    cpd27574 C8H4NO2R5
    cpd27575 C4H8NOR
    cpd27576 None
    cpd27577 C8H14NO6R
    cpd27578 C2H4NOR
    cpd27579 C3H2NO3R2
    cpd27580 C3H6NO2R
    cpd27581 C8H10NO9PR3
    cpd27582 C2H4NO2R
    cpd27584 None
    cpd27591 C3H4N2O3R
    cpd27592 C3H4N2O3R
    cpd27596 C12H18N3O8R3
    cpd27597 C6H2NOR5
    cpd27600 C6H6NO5RS
    cpd27601 C3H6NO2R
    cpd27604 C12H15NO20R2S3
    cpd27605 C2H3NO2R2
    cpd27606 C30H36N12O22P3R3
    cpd27609 None
    cpd27611 C8H14NO6R
    cpd27614 C34H43N12O23P3RS
    cpd27615 C17H31N4O3R
    cpd27616 C15H28N4O3R2
    cpd27617 C22H43N2O2R2
    cpd27619 C16H29N4O3R
    cpd27620 C14H26N4O3R2
    cpd27622 C22H26N10O22P5R2
    cpd27623 C11H13N5O11P2R2
    cpd27624 C11H13N5O10P2R2
    cpd27625 C8H15N2O4R2
    cpd27628 C60H99N6O41R2
    cpd27629 C60H99N6O41R2
    cpd27630 C59H97N6O41R2
    cpd27631 C6H11N2O3R
    cpd27632 C6H11N2O3R2
    cpd27633 C20H21N7O6R
    cpd27634 C5H4N5R
    cpd27635 C11H14N5O5R
    cpd27637 C12H15N5O10P2R2
    cpd27638 C21H25N7O14P2R
    cpd27640 C21H26N7O14P2R
    cpd27642 C20H34NO16R2
    cpd27643 C14H24NO11R
    cpd27644 C91H147N7O25P2R
    cpd27645 C94H152N8O26P2R
    cpd27647 C11H16O12P2R2
    cpd27648 C11H16O12P2R2
    cpd27649 C11H14O12P2R2
    cpd27650 C11H16O13P2R2
    cpd27651 C11H18O12P2R2
    cpd27652 C11H18O14P2R2
    cpd27653 C11H18O14P2R2
    cpd27658 C18H33N4O3R
    cpd27659 C16H29N4O3R2
    cpd27660 None
    cpd27661 C17H32N4O3R2
    cpd27662 None
    cpd27663 None
    cpd27664 None
    cpd27667 None
    cpd27668 C24H37O19R
    cpd27669 C18H30O16R2
    cpd27670 CNR
    cpd27671 NO2R
    cpd27672 None
    cpd27673 None
    cpd27674 HR
    cpd27675 CHNO4RS2
    cpd27676 HOR
    cpd27677 HOR
    cpd27678 HR
    cpd27679 H3NR
    cpd27680 HOR
    cpd27681 None
    cpd27682 None
    cpd27683 None
    cpd27684 HR
    cpd27685 C5H8O9P2R2
    cpd27686 C5H7O6PR2
    cpd27687 C5H8O12P3R2
    cpd27688 C5H8O3R2
    cpd27689 C5H6O3R4
    cpd27690 C8H14NO4R
    cpd27691 None
    cpd27692 C9H15NO7R3
    cpd27694 C25H41O6R
    cpd27695 C4H5N2O3R4
    cpd27697 C9H14NO2R
    cpd27698 C9H14NO2R
    cpd27700 C31H39N12O26P4R
    cpd27701 C24H38O27P2R2
    cpd27702 None
    cpd27704 None
    cpd27705 HO6P2R
    cpd27706 C80H131O7P2R
    cpd27707 C2HO3R
    cpd27708 C2H3O3R
    cpd27709 C11H18N2O5R2
    cpd27711 None
    cpd27713 C14H27N2O2R2
    cpd27714 C14H27N2O2R2
    cpd27715 None
    cpd27716 C29H52N2O8PRS
    cpd27717 C18H33OR
    cpd27718 None
    cpd27719 C12H20O11R2
    cpd27720 None
    cpd27721 C30H42O32P6R10
    cpd27722 C6H6O6R
    cpd27723 C18H30O16R2
    cpd27724 None
    cpd27725 C6H6O6R
    cpd27726 C23H31N7O19P3RS
    cpd27727 O4RS
    cpd27728 C9H18NO7PR2
    cpd27729 HO4PR
    cpd27730 R
    cpd27731 R
    cpd27732 C10H14N5O4R4S2
    cpd27733 None
    cpd27734 None
    cpd27735 C10H13N4O4R4S2
    cpd27736 None
    cpd27737 C12H8N4O2R
    cpd27738 Fe4R16S4
    cpd27739 Fe2R8S2
    cpd27740 H2CuN2R3S
    cpd27741 R
    cpd27742 C19H19N3O11PR
    cpd27743 R
    cpd27744 C12H8N4O2R
    cpd27745 C10H14N5O4R4S2
    cpd27746 R
    cpd27747 C5H6O2R2
    cpd27748 None
    cpd27749 Fe2R8S2
    cpd27750 FeR8
    cpd27751 H2CuN2R4S2
    cpd27752 None
    cpd27753 Fe2R8S2
    cpd27754 C34H32FeN4O4R2S2
    cpd27755 C34H32FeN4O4R2S2
    cpd27756 C34H32FeN4O4R2S2
    cpd27757 Fe2R8S2
    cpd27758 R
    cpd27759 None
    cpd27760 H2FeNiR3S4
    cpd27761 None
    cpd27762 None
    cpd27763 C19H32N2O5R2S2
    cpd27764 C15H29N2O2R2S2
    cpd27765 C15H27N2O2R2S2
    cpd27767 C40H38FeN7O7R2
    cpd27770 C11H11NO8PR2
    cpd27771 C10H16O19P4R2
    cpd27772 None
    cpd27774 C30H10O4R16
    cpd27777 C18H21O17R2
    cpd27778 C9H10N2O4RS
    cpd27780 C11H11N2O3R2
    cpd27781 C11H11N2OR2
    cpd27782 C28H34N11O21P3R
    cpd27788 C11H14O19P3R2
    cpd27789 None
    cpd27791 C11H13O22P4R2
    cpd27793 None
    cpd27795 C11H20NO7PR2
    cpd27799 C10H17O7P2R
    cpd27800 C21H29NO12R3
    cpd27801 C7H7O4R
    cpd27802 None
    cpd27803 None
    cpd27805 C5H10O2R2
    cpd27808 C28H34N11O21P3R
    cpd27809 C12H24N2O7R2
    cpd27810 C6H14N2O2R2
    cpd27811 C6H14N2OR2
    cpd27814 C3H6NOR2S
    cpd27815 C20H32N2O3R2S
    cpd27816 C21H35N2O3R2S
    cpd27817 C4H5NO3R2
    cpd27818 C5H7NO3R2
    cpd27819 C6H12N3O2R2
    cpd27820 C14H25N2O2R2S2
    cpd27821 C8H16N3O2R3
    cpd27824 C28H34N11O21P3R
    cpd27830 C27H50N2O8PRS
    cpd27831 None
    cpd27832 None
    cpd27833 C14H26N3O8PR2S
    cpd27834 C14H26N3O8PR2S
    cpd27835 C21H30O17R2
    cpd27836 C4H5NO4R2
    cpd27837 C2H4NO2R
    cpd27838 None
    cpd27839 HR
    cpd27840 None
    cpd27841 C11H15N4O4R4
    cpd27842 C82H129N6O21P2R
    cpd27843 C94H152N8O26P2R
    cpd27844 None
    cpd27845 None
    cpd27847 C3H6NOR2S2
    cpd27848 HRS2
    cpd27849 C29H53N2O8PRS
    cpd27850 C29H55N2O8PRS
    cpd27851 C6H5OR
    cpd27852 C6H4OR
    cpd27853 C8H3O2R5
    cpd27854 None
    cpd27855 C6H12NO2R
    cpd27856 C7H14NO2R
    cpd27857 None
    cpd27858 None
    cpd27859 None
    cpd27860 None
    cpd27861 None
    cpd27862 C24H39O24PR2
    cpd27863 C15H23O8PR3
    cpd27864 C14H21O8PR3
    cpd27865 C5H5O8PR3
    cpd27866 C36H61O34PR
    cpd27867 None
    cpd27868 None
    cpd27869 H2O4PR
    cpd27870 None
    cpd27871 None
    cpd27872 None
    cpd27873 None
    cpd27875 None
    cpd27876 C19H38NO4R
    cpd27877 None
    cpd27878 C19H37NO6PR
    cpd27879 C19H38NO3R
    cpd27880 C19H38NO3R
    cpd27881 C19H38NO4R
    cpd27882 C19H36NO4R
    cpd27883 None
    cpd27884 R
    cpd27885 None
    cpd27886 None
    cpd27887 None
    cpd27888 C18H28O15R4
    cpd27889 C20H22N10O16P3R2
    cpd27890 C30H39N10O27P4R
    cpd27891 C20H23N3O12R2
    cpd27892 None
    cpd27893 C12H18O7R
    cpd27894 None
    cpd27895 C5H9O7P2R
    cpd27896 C14H26N3O8PR2S
    cpd27897 C24H28O25R2
    cpd27898 None
    cpd27899 HO9P3R
    cpd27900 HR
    cpd27901 C6H8O7R
    cpd27902 C6H8O7R
    cpd27903 None
    cpd27904 C25H38O19R2
    cpd27905 C25H39O23R2S
    cpd27906 None
    cpd27907 None
    cpd27908 C20H22N5O8R5
    cpd27909 C20H20N5O8R5
    cpd27910 None
    cpd27911 C5H8O7PR2
    cpd27912 C5H6O9P2R2
    cpd27913 None
    cpd27914 CH3OR
    cpd27915 H3NR
    cpd27916 C10H13N3O11P2R2
    cpd27917 C9H11N3O11P2R2
    cpd27918 None
    cpd27919 None
    cpd27920 None
    cpd27921 None
    cpd27922 C9H13N3O4R2
    cpd27923 C17H27N5O4R2S
    cpd27924 C3H6NOR2
    cpd27925 C4H8N3O2R2
    cpd27926 C6H7N3O4PR2
    cpd27927 C2H3NOR3
    cpd27928 None
    cpd27929 C3H6NO2R2
    cpd27930 R5S2
    cpd27931 H2R5S2
    cpd27932 C5H7NO3R2
    cpd27933 C2H4NOR2
    cpd27934 C6H8N3OR2
    cpd27935 C6H14N4OR2
    cpd27936 C4H7N2O2R2
    cpd27937 C4H5NO3R2
    cpd27938 C5H10NO2R2S
    cpd27939 C5H9N2O2R2
    cpd27940 C6H14N2OR2
    cpd27941 C5H10NOR2S
    cpd27942 C5H10NO2R2S
    cpd27943 C3H6NO2R2
    cpd27944 C11H19N2O7R2
    cpd27945 C12H21N2O7R2
    cpd27946 C7H10N3OR2
    cpd27947 C6H7N3O4PR2
    cpd27948 C6H10N2O2R3
    cpd27949 C6H11N2O2R2
    cpd27950 C6H10N3O2R3S2
    cpd27951 C3H5NO5PR2
    cpd27952 C4H7NO5PR2
    cpd27953 C6H12N3O2R3S2
    cpd27954 C18H30NOR2S
    cpd27955 C4H8NOR2S
    cpd27956 C3H6NO2R2
    cpd27957 C9H10NO2R2
    cpd27958 C4H6N2O2R3
    cpd27959 C7H13N2O2R2S
    cpd27960 C13H14N3O2R2
    cpd27961 None
    cpd27962 None
    cpd27963 C19H32N3O11R2
    cpd27964 C10H20N2O4R2
    cpd27965 C12H24N2O6R2
    cpd27966 C5H7NO3R2
    cpd27967 C60H98N9O36R2
    cpd27968 C5H7NO2R2
    cpd27969 None
    cpd27970 None
    cpd27971 None
    cpd27972 C6H7N3O4PR2
    cpd27973 C10H19N2O7PR2
    cpd27974 C12H23N2O9PR2
    cpd27975 C12H23N2O9PR2
    cpd27976 C11H21N2O8PR2
    cpd27977 C12H24N2O6R2
    cpd27978 C11H22N2O5R2
    cpd27979 C25H42N3O16R2
    cpd27980 C9H9NO5R2S
    cpd27981 C9H9NO5PR2
    cpd27982 None
    cpd27983 None
    cpd27984 None
    cpd27985 None
    cpd27986 None
    cpd27987 None
    cpd27988 None
    cpd27989 None
    cpd27990 C4H8NO2R2
    cpd27991 None
    cpd27992 None
    cpd27993 C4H5N2O2R4
    cpd27994 C54H90O46R2
    cpd27995 HR
    cpd27996 C5H9O10P2R
    cpd27997 C5H8O7PR
    cpd27998 C5H9O4R
    cpd27999 C5H9O13P3R
    cpd28001 C6H11O6R
    cpd28002 HR
    cpd28003 C5H9O3R
    cpd28004 C5H8O3R2
    cpd28005 None
    cpd28008 None
    cpd28010 None
    cpd28011 C17H31N2O3R2S2
    cpd28012 C15H29N2O2R2S2
    cpd28013 C15H27N2O2R2S2
    cpd28014 None
    cpd28017 NR4
    cpd28019 C2HO2R2
    cpd28020 C2H2O3R
    cpd28021 C24H35N7O17P3RS
    cpd28023 C27H52N2O9PRS
    cpd28024 C29H54N2O9PRS
    cpd28025 C34H64N3O10PR2S
    cpd28026 C36H68N3O10PR2S
    cpd28027 C40H76N3O10PR2S
    cpd28028 C38H72N3O10PR2S
    cpd28029 C29H53N2O9PRS
    cpd28030 C29H56N2O9PRS
    cpd28034 None
    cpd28035 HR
    cpd28036 CH2HgR
    cpd28039 C30H42O35P6R10
    cpd28040 C15H21O19P3R5
    cpd28041 C10H14O16P3R4
    cpd28042 None
    cpd28043 None
    cpd28044 None
    cpd28045 None
    cpd28046 None
    cpd28047 None
    cpd28048 None
    cpd28049 None
    cpd28050 None
    cpd28051 None
    cpd28052 C20H30OR
    cpd28054 None
    cpd28055 R
    cpd28056 R
    cpd28057 C10H16N5O4R4S2
    cpd28058 None
    cpd28059 None
    cpd28060 C10H15N4O4R4S2
    cpd28061 None
    cpd28062 Fe4R16S4
    cpd28063 Fe2R8S2
    cpd28064 H2CuN2R3S
    cpd28065 R
    cpd28066 None
    cpd28067 C19H22N3O11PR
    cpd28068 R
    cpd28069 C12H11N4O2R
    cpd28070 C12H11N4O2R
    cpd28071 C10H16N5O4R4S2
    cpd28072 None
    cpd28073 Fe2R8S2
    cpd28074 C6H2O2R4
    cpd28075 FeR8
    cpd28076 H2CuN2R4S2
    cpd28077 None
    cpd28078 Fe2R8S2
    cpd28079 C34H32FeN4O4R2S2
    cpd28080 C34H32FeN4O4R2S2
    cpd28081 C34H32FeN4O4R2S2
    cpd28082 Fe2R8S2
    cpd28083 R
    cpd28084 None
    cpd28085 H3FeNiR3S4
    cpd28086 None
    cpd28087 None
    cpd28088 None
    cpd28089 None
    cpd28090 None
    cpd28091 None
    cpd28092 None
    cpd28093 C20H28OR
    cpd28094 None
    cpd28095 None
    cpd28096 None
    cpd28097 None
    cpd28099 C6H8O7R
    cpd28100 C6H11O5R
    cpd28101 C24H34O21R2
    cpd28102 C6H11O5R
    cpd28103 C26H39N2O3R2
    cpd28104 C26H39N2O2R2
    cpd28105 C2H3NOR2
    cpd28106 C2H4NOR2
    cpd28107 C5H9O10P2R
    cpd28108 C5H8O7PR
    cpd28109 C5H9O13P3R
    cpd28110 C5H9O4R
    cpd28111 C5H8O7PR
    cpd28112 None
    cpd28113 None
    cpd28116 C32H43N4O14PR2S
    cpd28117 C29H43N4O13PR2S
    cpd28118 C49H73N4O18PR2S
    cpd28119 C31H52O7P2R
    cpd28120 None
    cpd28121 None
    cpd28123 C2HO2R2
    cpd28124 C2H2O3R
    cpd28125 C24H35N7O17P3RS
    cpd28128 C11H15N3O7RS
    cpd28129 C4H8NO3RS
    cpd28130 C3H6NO2RS
    cpd28132 C18H30NOR2S
    cpd28134 C23H38NOR2S
    cpd28139 C8H12N2O5RS
    cpd28140 C10H15N3O6RS
    cpd28141 C3H6NO2RS
    cpd28142 C5H7NO3RS
    cpd28149 None
    cpd28152 C28H34N11O21P3R
    cpd28154 C10H17O9R
    cpd28158 None
    cpd28159 C15H21O16P3R5
    cpd28160 C15H21O19P3R5
    cpd28163 C11H15O12R2S
    cpd28164 None
    cpd28165 None
    cpd28166 C7H12O7PR
    cpd28167 C18H31N3O9PR3S
    cpd28168 C25H37N7O17P3RS
    cpd28169 C3H6OR2
    cpd28170 C6HO2R4
    cpd28173 C14H18NO18R2S2
    cpd28174 C24H40O21R2
    cpd28175 C10H14O16P3R4
    cpd28176 None
    cpd28177 None
    cpd28178 HR
    cpd28179 C15H21O16P3R5
    cpd28180 None
    cpd28181 None
    cpd28182 None
    cpd28183 None
    cpd28184 None
    cpd28185 C6H11O6R
    cpd28186 C6H11O6R
    cpd28187 C3H8NO5PR
    cpd28188 C3H9NO2R
    cpd28189 C9H19N2O6PR2
    cpd28190 None
    cpd28191 None
    cpd28192 None
    cpd28193 None
    cpd28195 C19H31R
    cpd28196 C19H31OR
    cpd28197 C20H30O2R2
    cpd28198 None
    cpd28199 HO4PR
    cpd28200 None
    cpd28201 HNO3RS
    cpd28202 CH2R2S
    cpd28204 R
    cpd28205 C3H6NOR2S
    cpd28206 None
    cpd28207 HRS
    cpd28208 None
    cpd28209 None
    cpd28210 None
    cpd28215 C27H37N7O17P3RS
    cpd28218 C19H21N7O5R
    cpd28223 CHNO4RS2
    cpd28225 C28H34N11O21P3R
    cpd28227 None
    cpd28228 C9H7NO4R2
    cpd28232 C25H35N7O17P3RS
    cpd28233 None
    cpd28234 C50H83N4O36R
    cpd28237 C6H8N3O4R3
    cpd28239 C28H34N11O21P3R
    cpd28240 C12H25N3O2R2
    cpd28243 C28H34N11O21P3R
    cpd28244 None
    cpd28245 C74H121N2O22P3R
    cpd28246 C77H127N2O27P4R
    cpd28247 C83H137N2O32P4R
    cpd28248 None
    cpd28249 C2H3R
    cpd28250 C8H10N4O5R4
    cpd28251 None
    cpd28252 C30H46OR4
    cpd28253 C4H7N2O3R
    cpd28254 None
    cpd28255 C3H6NOR2S
    cpd28256 C3H6NOR2S2
    cpd28257 None
    cpd28258 None
    cpd28259 C4H7N2O2RS
    cpd28260 C4H7N2O2RS
    cpd28261 C6H11O5RS
    cpd28262 HRS
    cpd28265 None
    cpd28266 C9H8I2NO2R2
    cpd28267 C9H9INO2R2
    cpd28268 C15H10I4NO3R2
    cpd28269 C9H10NO2R2
    cpd28270 C3H3NOR2
    cpd28271 C15H11I3NO3R2
    cpd28272 C25H35N7O17P3RS
    cpd28273 C21H38N2O8PRS
    cpd28274 C40H74N3O9PR2S
    cpd28275 C23H39N2O8PRS
    cpd28276 None
    cpd28277 C27H46N2O8PRS
    cpd28278 C6H5O6R3
    cpd28279 None
    cpd28280 None
    cpd28282 C6H14N2OR2
    cpd28283 C8H15N2O2R2
    cpd28284 C7H9N2O5R2
    cpd28285 C3H6NOR2S
    cpd28286 C3H6NOR2S2
    cpd28287 None
    cpd28288 C16H18N3O7R2
    cpd28289 None
    cpd28291 None
    cpd28296 C9H11N2O12P2R
    cpd28297 None
    cpd28298 None
    cpd28299 None
    cpd28300 C14H19O4R
    cpd28301 C14H17O4R
    cpd28302 None
    cpd28303 None
    cpd28304 None
    cpd28305 None
    cpd28306 None
    cpd28307 HR
    cpd28308 C9H10N2O12P2R2
    cpd28309 C9H10N2O12P2R2
    cpd28310 C9H10N2O12P2R2
    cpd28311 C9H10N2O12P2R2
    cpd28312 C9H10N2O12P2R2
    cpd28313 C9H10N2O12P2R2
    cpd28314 C9H10N2O12P2R2
    cpd28315 C9H10N2O12P2R2
    cpd28316 C9H10N2O12P2R2
    cpd28317 C9H10N2O12P2R2
    cpd28318 C28H34N11O21P3R
    cpd28319 None
    cpd28320 C44H75N7O17P3RS
    cpd28322 C10H11N5O10P2R2
    cpd28323 C11H13N5O10P2R2
    cpd28324 C25H37N7O18P3RS
    cpd28325 C23H47OR
    cpd28326 C23H45OR
    cpd28327 C25H35N7O17P3RS
    cpd28328 C25H35N7O18P3RS
    cpd28329 C25H37N7O17P3RS
    cpd28330 C3H6NO2R2
    cpd28331 C14H26N3O8PR2S
    cpd28332 None
    cpd28333 None
    cpd28334 W
    cpd28335 C26H50O2R2
    cpd28336 None
    cpd28337 None
    cpd28338 None
    cpd28339 None
    cpd28340 None
    cpd28341 None
    cpd28342 None
    cpd28343 None
    cpd28347 C55H90O47R2
    cpd28348 C70H100O57R2
    cpd28349 None
    cpd28350 None
    cpd28351 None
    cpd28352 None
    cpd28353 None
    cpd28354 C28H37O25R2
    cpd28355 C39H61O33R5
    cpd28356 C39H63O33R3
    cpd28357 C39H63O33R3
    cpd28358 C44H72O38R2
    cpd28359 C49H80O43R2
    cpd28360 C44H72O38R2
    cpd28361 C39H64O33R2
    cpd28362 None
    cpd28363 None
    cpd28365 None
    cpd28366 None
    cpd28367 None
    cpd28368 None
    cpd28369 None
    cpd28370 None
    cpd28371 None
    cpd28372 C5H7NO4R
    cpd28373 C52H99OR
    cpd28374 None
    cpd28375 None
    cpd28376 C3H6NO2R2
    cpd28377 C6H11O6R
    cpd28378 C23H42N2O9PRS
    cpd28379 C23H41N2O9PRS
    cpd28380 C8H14NO6R
    cpd28381 None
    cpd28382 C11H11N2O14P2R2
    cpd28383 C73H140N3O10PR2S
    cpd28384 C74H140N3O10PR2S
    cpd28385 C27H39N7O17P3RS
    cpd28386 C71H136N3O10PR2S
    cpd28387 C73H140N3O10PR2S
    cpd28388 C66H124N3O9PR2S
    cpd28389 C56H104N3O10PR2S
    cpd28390 C56H102N3O10PR2S
    cpd28391 C56H104N3O9PR2S
    cpd28392 C62H116N3O10PR2S
    cpd28393 C62H114N3O10PR2S
    cpd28394 C62H116N3O9PR2S
    cpd28395 C58H108N3O10PR2S
    cpd28396 C58H106N3O10PR2S
    cpd28397 C58H108N3O9PR2S
    cpd28398 C64H120N3O10PR2S
    cpd28399 C64H118N3O10PR2S
    cpd28400 C64H120N3O9PR2S
    cpd28401 C60H112N3O10PR2S
    cpd28402 C60H110N3O10PR2S
    cpd28403 C60H112N3O9PR2S
    cpd28404 C66H124N3O10PR2S
    cpd28405 C66H122N3O10PR2S
    cpd28406 C66H124N3O9PR2S
    cpd28407 C62H116N3O10PR2S
    cpd28408 C62H114N3O10PR2S
    cpd28409 C62H116N3O9PR2S
    cpd28410 C68H128N3O10PR2S
    cpd28411 C68H126N3O10PR2S
    cpd28412 C68H128N3O9PR2S
    cpd28413 C64H120N3O10PR2S
    cpd28414 C64H118N3O10PR2S
    cpd28415 C64H120N3O9PR2S
    cpd28416 C70H132N3O10PR2S
    cpd28417 C70H130N3O10PR2S
    cpd28418 C70H132N3O9PR2S
    cpd28419 C72H136N3O10PR2S
    cpd28420 C72H134N3O10PR2S
    cpd28421 C72H136N3O9PR2S
    cpd28422 C48H88N3O9PR2S
    cpd28423 C54H100N3O9PR2S
    cpd28424 C50H92N3O10PR2S
    cpd28425 C50H90N3O10PR2S
    cpd28426 C50H92N3O9PR2S
    cpd28427 C56H104N3O10PR2S
    cpd28428 C56H102N3O10PR2S
    cpd28429 C56H104N3O9PR2S
    cpd28430 C52H96N3O10PR2S
    cpd28431 C52H94N3O10PR2S
    cpd28432 C52H96N3O9PR2S
    cpd28433 C58H108N3O10PR2S
    cpd28434 C58H106N3O10PR2S
    cpd28435 C58H108N3O9PR2S
    cpd28436 C54H100N3O10PR2S
    cpd28437 C54H98N3O10PR2S
    cpd28438 C54H100N3O9PR2S
    cpd28439 C60H112N3O10PR2S
    cpd28440 C60H110N3O10PR2S
    cpd28441 C60H112N3O9PR2S
    cpd28442 C44H82N3O10PR2S
    cpd28443 C44H80N3O10PR2S
    cpd28444 C44H82N3O9PR2S
    cpd28445 C46H86N3O10PR2S
    cpd28446 C46H84N3O10PR2S
    cpd28447 C46H86N3O9PR2S
    cpd28448 C48H90N3O10PR2S
    cpd28449 C48H88N3O10PR2S
    cpd28450 C48H90N3O9PR2S
    cpd28451 C50H94N3O10PR2S
    cpd28452 C50H92N3O10PR2S
    cpd28453 C50H94N3O9PR2S
    cpd28454 C52H98N3O10PR2S
    cpd28455 C52H96N3O10PR2S
    cpd28456 C52H98N3O9PR2S
    cpd28457 C54H102N3O10PR2S
    cpd28458 C54H100N3O10PR2S
    cpd28459 C36H66N3O9PR2S
    cpd28460 C38H70N3O10PR2S
    cpd28461 C38H68N3O10PR2S
    cpd28462 C38H70N3O9PR2S
    cpd28463 C40H74N3O10PR2S
    cpd28464 C40H72N3O10PR2S
    cpd28465 C40H74N3O9PR2S
    cpd28466 C42H78N3O10PR2S
    cpd28467 C42H76N3O10PR2S
    cpd28468 C42H78N3O9PR2S
    cpd28469 C60H115O2R
    cpd28470 None
    cpd28471 C59H115O2R
    cpd28472 None
    cpd28473 C29H52N2O8PRS
    cpd28474 None
    cpd28475 None
    cpd28476 None
    cpd28477 None
    cpd28478 None
    cpd28479 None
    cpd28480 None
    cpd28481 None
    cpd28482 None
    cpd28483 None
    cpd28484 C34H56N3O9PR2S
    cpd28485 C34H58N3O9PR2S
    cpd28486 C6H8N3OR2
    cpd28487 None
    cpd28488 C2OR4
    cpd28489 None
    cpd28490 None
    cpd28491 C44H64N4O33R2
    cpd28492 None
    cpd28493 None
    cpd28494 C32H54N3O9PR2S
    cpd28495 C2H2O2R4
    cpd28496 None
    cpd28497 None
    cpd28498 None
    cpd28499 None
    cpd28500 C24H32O31R2S4
    cpd28501 None
    cpd28502 C24H34O25R2S2
    cpd28503 None
    cpd28504 None
    cpd28505 None
    cpd28506 None
    cpd28507 None
    cpd28508 None
    cpd28509 None
    cpd28510 None
    cpd28511 C16H22N5O19P4R2
    cpd28512 C17H24N5O19P4R2
    cpd28513 None
    cpd28514 None
    cpd28515 None
    cpd28516 HO7P2R
    cpd28517 HO4PR
    cpd28518 None
    cpd28519 None
    cpd28520 None
    cpd28521 None
    cpd28522 None
    cpd28523 C24H36O33R2S4
    cpd28524 C3H5OR
    cpd28525 C24H34O39R2S6
    cpd28526 C5H7O10P2R2
    cpd28527 None
    cpd28528 None
    cpd28529 None
    cpd28530 C44H64N4O33R2
    cpd28531 C15H19N5O23P5R2
    cpd28532 None
    cpd28533 None
    cpd28534 C6H10NO3R2
    cpd28535 None
    cpd28536 None
    cpd28537 None
    cpd28538 None
    cpd28539 None
    cpd28540 C15H21O19P3R5
    cpd28541 None
    cpd28542 C9H10N2O11P2R2S
    cpd28543 C10H11N5O10P2R2
    cpd28544 C10H11N5O10P2R2
    cpd28545 C10H11N5O10P2R2
    cpd28546 C10H11N5O10P2R2
    cpd28547 C10H10N4O11P2R2
    cpd28548 C11H16N3O11P2R2S
    cpd28549 C15H19N5O10P2R2
    cpd28550 C11H13N5O10P2R2
    cpd28551 C11H13N5O10P2R2
    cpd28552 C11H13N5O10P2R2
    cpd28553 C11H13N5O11P2R2
    cpd28554 C11H13N5O11P2R2
    cpd28555 C24H30N10O18P3R2
    cpd28556 C23H28N10O18P3R2
    cpd28557 C22H26N10O18P3R2
    cpd28558 C21H24N10O18P3R2
    cpd28559 C11H13N5O11P2R2
    cpd28560 C11H13N5O11P2R2
    cpd28561 C11H13N5O11P2R2
    cpd28562 C12H15N5O11P2R2
    cpd28563 C12H15N5O11P2R2
    cpd28564 C11H14N5O11P2R2
    cpd28565 None
    cpd28566 C9H12N2O12P2R2
    cpd28567 C15H21O19P3R5
    cpd28568 None
    cpd28569 None
    cpd28570 C10H12N2O12P2R2
    cpd28571 C12H11N5O11P2R2
    cpd28572 C12H15N6O11P2R2
    cpd28573 C12H15N3O13P2R2S
    cpd28574 C10H12N2O12P2R2
    cpd28575 C10H11N5O11P2R2
    cpd28576 C10H14O16P3R4
    cpd28577 C9H10N2O12P2R2
    cpd28578 C9H10N2O12P2R2
    cpd28579 C9H10N2O12P2R2
    cpd28580 C9H10N2O12P2R2
    cpd28581 C9H10N2O12P2R2
    cpd28582 C9H10N2O12P2R2
    cpd28583 C9H10N2O12P2R2
    cpd28584 C9H10N2O12P2R2
    cpd28585 C9H10N2O12P2R2
    cpd28586 C9H10N2O12P2R2
    cpd28587 C9H10N2O12P2R2
    cpd28588 C9H10N2O12P2R2
    cpd28589 C9H10N2O12P2R2
    cpd28590 C9H10N2O12P2R2
    cpd28591 C9H10N2O12P2R2
    cpd28592 C9H10N2O12P2R2
    cpd28593 C12H16N5O11P2R2
    cpd28594 None
    cpd28595 C9H10N2O12P2R2
    cpd28596 C28H34N11O21P3R
    cpd28597 C17H22N5O13P2R2
    cpd28598 C11H13N5O10P2R2
    cpd28599 C17H22N5O14P2R2
    cpd28600 C28H34N11O21P3R
    cpd28601 C22H27N6O16P2R2
    cpd28602 C17H22N5O13P2R2
    cpd28603 C74H142N3O10PR2S
    cpd28604 C27H37N7O17P3RS
    cpd28605 C74H140N3O10PR2S
    cpd28606 C27H37N7O17P3RS
    cpd28607 C72H138N3O10PR2S
    cpd28608 C44H80N3O9PR2S
    cpd28609 C46H84N3O9PR2S
    cpd28610 C48H88N3O9PR2S
    cpd28611 C50H92N3O9PR2S
    cpd28612 C52H96N3O9PR2S
    cpd28613 C54H100N3O9PR2S
    cpd28614 C38H68N3O9PR2S
    cpd28615 C40H72N3O9PR2S
    cpd28616 C42H76N3O9PR2S
    cpd28617 C56H102N3O9PR2S
    cpd28618 C62H114N3O9PR2S
    cpd28619 C58H106N3O9PR2S
    cpd28620 C64H118N3O9PR2S
    cpd28621 C60H110N3O9PR2S
    cpd28622 C66H122N3O9PR2S
    cpd28623 C62H114N3O9PR2S
    cpd28624 C68H126N3O9PR2S
    cpd28625 C64H118N3O9PR2S
    cpd28626 C70H130N3O9PR2S
    cpd28627 C72H134N3O9PR2S
    cpd28628 C50H90N3O9PR2S
    cpd28629 C56H102N3O9PR2S
    cpd28630 C52H94N3O9PR2S
    cpd28631 C58H106N3O9PR2S
    cpd28632 C54H98N3O9PR2S
    cpd28633 C60H110N3O9PR2S
    cpd28634 C74H142N3O10PR2S
    cpd28635 C34H62N3O9PR2S
    cpd28636 C36H66N3O9PR2S
    cpd28637 C38H70N3O9PR2S
    cpd28638 None
    cpd28639 None
    cpd28640 None
    cpd28641 None
    cpd28642 None
    cpd28643 None
    cpd28645 None
    cpd28646 None
    cpd28647 None
    cpd28648 None
    cpd28649 None
    cpd28650 None
    cpd28651 None
    cpd28656 None
    cpd28661 None
    cpd28662 None
    cpd28663 None
    cpd28666 None
    cpd28674 None
    cpd28680 None
    cpd28681 None
    cpd28682 None
    cpd28683 None
    cpd28684 None
    cpd28686 None
    cpd28690 None
    cpd28691 None
    cpd28692 None
    cpd28693 None
    cpd28694 None
    cpd28695 None
    cpd28696 None
    cpd28697 None
    cpd28698 None
    cpd28699 None
    cpd28700 None
    cpd28701 None
    cpd28702 None
    cpd28703 None
    cpd28705 None
    cpd28706 None
    cpd28707 None
    cpd28708 None
    cpd28709 None
    cpd28710 C6H8N2O4R2
    cpd28712 None
    cpd28713 None
    cpd28716 None
    cpd28717 None
    cpd28719 None
    cpd28720 None
    cpd28721 None
    cpd28725 None
    cpd28727 None
    cpd28740 None
    cpd28741 None
    cpd28742 None
    cpd28743 None
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    cpd29297 C6H8O7R
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    cpd29421 C86H139N7O21P2R
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    cpd30416 None
    cpd30418 None
    cpd30419 None
    cpd30422 None
    cpd30424 None
    cpd30425 None
    cpd30426 None
    cpd30427 None
    cpd30429 None
    cpd30430 None
    cpd30432 None
    cpd30433 None
    cpd30434 None
    cpd30435 None
    cpd30437 None
    cpd30438 None
    cpd30440 None
    cpd30442 None
    cpd30443 None
    cpd30444 None
    cpd30445 None
    cpd30446 None
    cpd30447 None
    cpd30449 None
    cpd30457 None
    cpd30459 None
    cpd30461 None
    cpd30463 None
    cpd30465 None
    cpd30467 None
    cpd30469 None
    cpd30471 None
    cpd30473 None
    cpd30475 None
    cpd30477 None
    cpd30479 None
    cpd30481 None
    cpd30483 None
    cpd30486 None
    cpd30487 None
    cpd30490 None
    cpd30491 None
    cpd30492 None
    cpd30493 None
    cpd30494 None
    cpd30495 None
    cpd30498 None
    cpd30502 None
    cpd30503 None
    cpd30504 None
    cpd30505 None
    cpd30506 None
    cpd30507 None
    cpd30508 None
    cpd30509 None
    cpd30510 None
    cpd30517 None
    cpd30519 None
    cpd30530 None
    cpd30553 None
    cpd30554 None
    cpd30556 None
    cpd30558 None
    cpd30559 None
    cpd30563 None
    cpd30564 None
    cpd30565 None
    cpd30566 None
    cpd30567 None
    cpd30568 None
    cpd30569 None
    cpd30570 None
    cpd30571 None
    cpd30572 None
    cpd30573 None
    cpd30574 None
    cpd30575 None
    cpd30576 None
    cpd30577 None
    cpd30578 None
    cpd30579 None
    cpd30580 None
    cpd30581 None
    cpd30582 None
    cpd30583 None
    cpd30584 None
    cpd30585 None
    cpd30586 None
    cpd30587 None
    cpd30588 None
    cpd30589 None
    cpd30590 None
    cpd30591 None
    cpd30592 None
    cpd30593 None
    cpd30594 None
    cpd30595 None
    cpd30596 None
    cpd30597 None
    cpd30598 None
    cpd30599 None
    cpd30600 None
    cpd30601 None
    cpd30602 None
    cpd30603 None
    cpd30604 None
    cpd30613 None
    cpd30614 None
    cpd30623 None
    cpd30624 None
    cpd30625 None
    cpd30626 None
    cpd30627 None
    cpd30633 None
    cpd30634 None
    cpd30636 None
    cpd30639 None
    cpd30640 None
    cpd30642 None
    cpd30644 None
    cpd30645 None
    cpd30646 None
    cpd30647 None
    cpd30648 None
    cpd30649 None
    cpd30650 None
    cpd30651 None
    cpd30652 None
    cpd30653 None
    cpd30654 None
    cpd30655 None
    cpd30656 None
    cpd30657 None
    cpd30660 None
    cpd30661 None
    cpd30662 None
    cpd30663 None
    cpd30664 None
    cpd30666 None
    cpd30667 None
    cpd30668 None
    cpd30669 None
    cpd30670 None
    cpd30672 None
    cpd30673 None
    cpd30674 None
    cpd30675 None
    cpd30676 None
    cpd30677 None
    cpd30680 None
    cpd30681 None
    cpd30683 None
    cpd30684 None
    cpd30686 None
    cpd30687 None
    cpd30689 None
    cpd30690 None
    cpd30691 None
    cpd30692 None
    cpd30694 None
    cpd30696 None
    cpd30698 None
    cpd30700 None
    cpd30702 None
    cpd30703 None
    cpd30707 None
    cpd30708 None
    cpd30709 None
    cpd30710 None
    cpd30711 None
    cpd30712 None
    cpd30713 None
    cpd30714 None
    cpd30716 None
    cpd30717 None
    cpd30719 None
    cpd30720 None
    cpd30722 None
    cpd30723 None
    cpd30725 None
    cpd30726 None
    cpd30727 None
    cpd30740 R2S
    cpd30750 None
    cpd30762 None
    cpd30763 None
    cpd30784 None
    cpd30785 None
    cpd30786 None
    cpd30787 None
    cpd30788 None
    cpd30789 C9H20N2OR2
    cpd30790 None
    cpd30791 None
    cpd30792 None
    cpd30793 None
    cpd30795 None
    cpd30796 None
    cpd31000 Z
    cpd31062 C6H7O4RS
    cpd31063 C6H9O4RS
    cpd31064 C6H7O3RS
    cpd31065 C6H9O3RS
    cpd31066 C8H11O4RS
    cpd31067 C8H13O4RS
    cpd31068 C8H11O3RS
    cpd31109 C14H18NO16R3S2
    cpd31110 C22H31N5O20P3R2
    cpd31111 C20H25N4O20P3R2
    cpd31113 C20H25N4O20P3R2
    cpd31115 C30H24O12R2
    cpd31117 C26H26O14R2
    cpd31121 C27H28O15R2
    cpd31122 C36H34O16R2
    cpd31123 C42H44O21R2
    cpd31124 C32H36O19R2
    cpd31202 C24H40N7O19P3R2
    cpd31228 None
    cpd31254 C28H38N6O22P3R2
    cpd31256 C27H35N6O22P3R2
    cpd31259 None
    cpd31261 C29H41N6O22P3R2
    cpd31262 C31H41N6O24P3R2
    cpd31263 C28H37N6O23P3R2
    cpd31264 C31H41N6O25P3R2
    cpd31271 C24H35N7O17P3RS
    cpd31280 C23H28N5O20P3R2
    cpd31299 C11H18N2O8R2
    cpd31300 C19H31N3O13R2
    cpd31304 C7H13N3O4RS
    cpd31305 C22H25N6O11PR2
    cpd31307 C17H29N2O12RS
    cpd31308 C27H44N4O18R2
    cpd31309 C4H4NO3R2
    cpd31320 C25H32N6O23P3R2
    cpd31321 C26H34N6O23P3R2S
    cpd31322 C26H36N5O19P3R2S
    cpd31323 C25H32N6O23P3R2S
    cpd31324 C25H34N5O19P3R2S
    cpd31325 C5H5N2O4R2S
    cpd31326 C6H7N2O4R2S
    cpd31353 C12H21ORS
    cpd31355 C22H30N5O19P3R2
    cpd31369 C9H10ClNO2RS
    cpd31382 None
    cpd31383 None
    cpd31384 None
    cpd31388 None
    cpd31392 C20H16O9R2
    cpd31441 C129H201N14O47P2R3
    cpd31457 CH3O4PR2
    cpd31472 None
    cpd31499 None
    cpd31568 C19H23N5O17P3R2
    cpd31582 C19H23N5O17P3R2
    cpd31673 C25H40N2O19R
    cpd31703 None
    cpd31791 None
    cpd31822 None
    cpd31837 None
    cpd31844 C55H93O4PR
    cpd31863 None
    cpd31897 None
    cpd31941 None
    cpd31960 C18H22N6O16P3R2
    cpd31999 None
    cpd32027 None
    cpd32070 C59H91N10O34R2
    cpd32110 C14H26N2O10R
    cpd32111 None
    cpd32144 C36H54N7O20R
    cpd32177 None
    cpd32217 C126H196N13O46P2R3
    cpd32267 None
    cpd32279 None
    cpd32321 None
    cpd32331 None
    cpd32335 None
    cpd32356 None
    cpd32401 None
    cpd32429 None
    cpd32432 None
    cpd32445 C20H35OR
    cpd32459 None
    cpd32462 C141H233NO78P2R
    cpd32553 None
    cpd32554 None
    cpd32557 None
    cpd32558 None
    cpd32570 C37H56N7O20R
    cpd32585 C48H73CoN11O8R
    cpd32596 None
    cpd32676 None
    cpd32692 None
    cpd32705 None
    cpd32746 None
    cpd32832 None
    cpd32905 C141H232NO81P3R
    cpd32923 None
    cpd32924 C91H144N7O27P2R
    cpd33001 C19H23N5O17P3R2
    cpd33072 None
    cpd33087 None
    cpd33098 None
    cpd33106 C18H22N6O16P3R2
    cpd33158 C37H56N7O20R
    cpd33208 None
    cpd33223 None
    cpd33281 None
    cpd33287 None
    cpd33343 None
    cpd33363 None
    cpd33380 None
    cpd33486 None
    cpd33538 C38H60N7O20R
    cpd33596 None
    cpd33638 C35H50N3O18PR2S
    cpd33639 None
    cpd33656 None
    cpd33682 None
    cpd33683 C71H106N13O39R3
    cpd33691 None
    cpd33862 None
    cpd33875 C19H23N5O17P3R2
    cpd33885 None
    cpd33900 C27H39N4O4R
    cpd33942 C23H35N7O15P2R2
    cpd33952 C15H19N5O10P2R2S
    cpd33957 C19H23N5O17P3R2
    cpd33964 None
    cpd33967 None
    cpd33986 None
    cpd33993 None
    cpd34014 None
    cpd34025 C20H33OR
    cpd34149 None
    cpd34181 None
    cpd34189 None
    cpd34197 None
    cpd34253 None
    cpd34256 None
    cpd34276 C40H44N20O27P4S4W
    cpd34287 None
    cpd34300 None
    cpd34397 None
    cpd34430 C40H61N8O21R
    cpd34529 None
    cpd34561 None
    cpd34641 C28H36N4O8R
    cpd34652 CH3O4PR2
    cpd34658 C45H57CoN6O12R
    cpd34664 C20H24N4O18P3R2
    cpd34685 C8H10NO5R4S
    cpd34687 None
    cpd34696 C22H39N3O15R
    cpd34741 None
    cpd34800 C19H36N8O11R
    cpd34863 C45H57CoN6O12R
    cpd34910 C142H235NO81P3R
    cpd34926 C89H141N6O26P2R
    cpd35018 None
    cpd35052 None
    cpd35077 C36H63N5O24R2
    cpd35083 C74H111N14O40R3
    cpd35091 C25H37N7O18P3RS
    cpd35116 None
    cpd35126 C38H57GlO37P
    cpd35142 C34H51N6O19R
    cpd35215 C18H23N6O16P3R2
    cpd35261 C129H203N14O47P2R
    cpd35318 C48H73CoN11O8R
    cpd35334 None
    cpd35439 C35H48N3O18PR2S
    cpd35462 None
    cpd35500 C25H40N2O19R
    cpd35502 None
    cpd35534 C75H116N14O40R2
    cpd35570 C20H24N4O18P3R2
    cpd35587 None
    cpd35589 C36H64N11O20PR3S
    cpd35645 C74H113N14O40R
    cpd35660 None
    cpd35708 None
    cpd35776 None
    cpd35785 None
    cpd35809 None
    cpd35876 None
    cpd35906 None
    cpd35907 C13H13N4O3R
    cpd35916 None
    cpd35953 H7ClN2OPt
    cpd35955 None
    cpd35979 C18H29OR
    cpd36000 None
    cpd36008 None
    cpd36052 C25H44N6O12PR2S
    cpd36053 CH2ORS
    cpd36054 C20H29OR
    cpd36055 C5H8O7PR2
    cpd36056 C21H36O21PR
    cpd36057 C7H4O2R
    cpd36058 C20H36NO3R
    cpd36059 None
    cpd36060 C36H60O31R2
    cpd36061 C14H17NO5R
    cpd36062 C14H18N3O17P3R3
    cpd36063 C32H48N3O10PR2S
    cpd36064 C20H34O8PR
    cpd36065 C5H13NO4PR
    cpd36066 C15HO2R11
    cpd36068 C30H56O8PR2
    cpd36069 C31H50N2O23R
    cpd36070 C68H104N3O64P3R4
    cpd36071 C11H18N2O6R2
    cpd36072 C4H5N2O3R3
    cpd36073 C26H50O3R2
    cpd36074 C6H7N2O5R3
    cpd36075 C17H32N4O9PR2S
    cpd36076 C32H31O17R8
    cpd36077 C23H36N4O10PR2S
    cpd36078 C9H14NO9RS2
    cpd36079 C6H10NO3R2S
    cpd36080 C32H40N3O15PR2S
    cpd36081 C10H14N3O11P2R2S
    cpd36082 C6H13NOR
    cpd36083 C59H102N3O33R
    cpd36084 C72H117N5O42R
    cpd36085 C12H20N3O4RS
    cpd36086 C10H17N2O4RS
    cpd36087 C8H10N4O5R5
    cpd36088 C6H15N4OR
    cpd36089 C36H42N5O7R2S
    cpd36090 C30H52N3O13PR2S
    cpd36091 C32H54NO24R
    cpd36092 C20H35N6O8R
    cpd36093 C40H68N3O16PR2S
    cpd36094 C10H19N5O4R
    cpd36095 C15H17N6O14P2R2
    cpd36096 C9H18N2O3R2
    cpd36097 C6H14N2O2R2
    cpd36098 C17H30N3O10PR2S
    cpd36099 C36H55O34PR3
    cpd36100 C32H54NO24R
    cpd36101 C3H7NOR
    cpd36102 C72H138N3O10PR2S
    cpd36103 C36H60N3O26R
    cpd36104 C19H29R
    cpd36105 None
    cpd36106 C26H50O2R
    cpd36107 C15H19N5O15P3R2
    cpd36108 C5H8NO2R
    cpd36109 C3H4N2O2R2S
    cpd36110 C34H57N2O24R
    cpd36111 C11H22N2O2RS
    cpd36112 None
    cpd36113 C62H103N4O47R2
    cpd36114 C15H3O2R9
    cpd36115 C5H8O2R
    cpd36116 C12H20N2O5R2
    cpd36117 C25H49N8O10PR2S
    cpd36118 C3H4NO5PR3
    cpd36119 C4H8NORS2
    cpd36120 C11H24N3O2RS
    cpd36121 C11H14N5O6R5S
    cpd36122 C16H30O7PR
    cpd36123 C19H29N4O9PR2S
    cpd36124 C36H42N5O7R2S
    cpd36125 C25H49NO8PR
    cpd36126 C35H60N3O34P3R3
    cpd36127 C20H40N7O9PR2S
    cpd36128 C31H52N3O15PR2S
    cpd36129 C92H146N7O27P2R
    cpd36130 C15H2O3R10
    cpd36131 C36H42N5O7R2S
    cpd36132 C10H11N2O2R2S
    cpd36133 C13H15O9R
    cpd36134 C5H6O5PR2
    cpd36135 C62H96N9O16PR2S
    cpd36136 C12H14N2O13P2R2S
    cpd36137 C17H30N3O9PR2S
    cpd36139 C40H61N2O33R2
    cpd36140 None
    cpd36141 None
    cpd36142 C5H10NOR
    cpd36143 C61H101N4O34R
    cpd36144 C3H7NO2R
    cpd36145 C17H20N6O13P2R2
    cpd36146 None
    cpd36147 C17H17O2R
    cpd36148 C15H4O3R10
    cpd36149 C4H6N2O3R3
    cpd36150 C51H98N3O9PR2S
    cpd36151 C12H21N2O3RS
    cpd36152 C50H83N4O37R2
    cpd36153 C15H6O5R6
    cpd36154 C44H84N3O9PR2S
    cpd36155 C28H47N2O20R
    cpd36156 C20H14N3O3R4
    cpd36157 C11H20NO2R2S
    cpd36159 C23H30N5O9PR2S
    cpd36160 C8H17N3O3R
    cpd36161 C51H89N2O28R
    cpd36162 C22H33N2O17R
    cpd36163 C2H3NO2R2
    cpd36164 C19H34NO3R
    cpd36165 C48H73N3O38R3
    cpd36166 C5H11NOR
    cpd36167 C22H33N4O11PR2S
    cpd36168 C21H16O10R6
    cpd36169 C7H16N4OR2
    cpd36170 C16H15O2R
    cpd36171 C33H51N7O17P3RS
    cpd36172 C131H237O16R5
    cpd36173 C17H27N3O10PR3S
    cpd36174 C5H10N2O2R
    cpd36175 C35H49N8O27P3R2S
    cpd36176 C19H21N6O8PR2
    cpd36177 C3H3NO2R2
    cpd36178 C3H4NO5PR3
    cpd36179 C15H5O2R9
    cpd36180 C19H36N3O8PR2S
    cpd36181 C17H27N2O12PR2S
    cpd36182 C11H19N2O4R
    cpd36183 C16H31OR
    cpd36184 C133H214N16O45P2R2
    cpd36185 C27H42N3O10PR2S
    cpd36186 C17H27N2O9PR6
    cpd36187 C56H95N3O31R
    cpd36188 C4H8NO2RS
    cpd36189 C3H7NO2R
    cpd36190 C25H40N3O20PR3
    cpd36191 C22H39O5R
    cpd36192 C78H108CoN21O18PR2
    cpd36193 C48H73N3O38R3
    cpd36194 C33H43N4O16PR2S
    cpd36195 C4H6N2O3R3
    cpd36196 C4H7N2O3RS
    cpd36197 C23H40N3O10PR2S
    cpd36198 C49H80O41R2
    cpd36199 C29H40N7O12PR2S
    cpd36200 C72H101CoN18O17PR
    cpd36201 C16H31N8O4R4
    cpd36202 C25H47N2O8PRS
    cpd36203 C17H29N4O10PR2S
    cpd36204 C133H215N16O45P2R
    cpd36205 C12H13O4R
    cpd36206 None
    cpd36207 C22H33OR
    cpd36208 C111H169N4O51P2R
    cpd36210 C27H54O3R2
    cpd36211 C7H8O8PR
    cpd36212 C56H93N4O42R2
    cpd36213 C10H17NO8R2
    cpd36214 C39H61O33R2
    cpd36215 C6H9N2O2R3S3
    cpd36216 C5H4N2O3R4
    cpd36217 C18H27OR
    cpd36218 C32H48N3O10PR2S
    cpd36219 C6H14N4O2R2
    cpd36220 C45H67N6O13PR2S
    cpd36221 C27H22O12R9
    cpd36223 None
    cpd36224 C13H23N2O3RS
    cpd36225 C36H42N5O7R2S
    cpd36226 C52H83N7O23P3RS
    cpd36227 C88H147N3O34P4R
    cpd36228 C20H34NO15R
    cpd36229 None
    cpd36230 C96H143N12O69PR
    cpd36231 C89H147N6O63R2
    cpd36232 C53H94O16R5S
    cpd36233 C15H25NO12R3
    cpd36234 C7H9O4R
    cpd36235 C22H28O4R
    cpd36236 C8H17N5O3R
    cpd36237 C22H36O5R2
    cpd36238 None
    cpd36239 C99H177O18R6
    cpd36240 C36H71O9PR
    cpd36241 C15H16N4O3R3
    cpd36242 C27H40N5O14PR2S
    cpd36243 None
    cpd36244 None
    cpd36245 None
    cpd36246 C14H24N4O3R2
    cpd36247 C35H54N3O10PR2S
    cpd36248 C10H14N3O10P2R2
    cpd36249 C3H6NO2RS
    cpd36251 C20H38NO4R
    cpd36252 None
    cpd36253 C46H84N3O12PR2S
    cpd36254 C62H102N7O42R2
    cpd36255 C4H6N2O2R3
    cpd36256 C18H27OR
    cpd36257 C10H18N4O3R4
    cpd36258 C56H85N8O15PR2S
    cpd36259 C29H50N2O9PRS
    cpd36260 C58H95N10O38P2R2
    cpd36261 C26H39N7O17P3RS
    cpd36262 C60H113N3O9PR3S
    cpd36263 C6H10NO3R
    cpd36264 C10H11N5O10P2R
    cpd36265 C9H9N2O11P2R
    cpd36266 C19H34N4O9PR2S
    cpd36267 C14H15N5O11P2R2
    cpd36268 C21H36N6O11PR2S
    cpd36269 C20H32O20PR2
    cpd36270 C18H30O16R2
    cpd36271 C14H20NO12R2
    cpd36272 C36H59N7O19R
    cpd36273 C17H27N3O9PR3S
    cpd36274 C20H33N5O11PR3S
    cpd36276 None
    cpd36277 C10H14N2O6R
    cpd36278 C87H147N2O40P6R
    cpd36279 C46H88N3O9PR2S
    cpd36280 C7H12NO2R
    cpd36281 C74H140N3O10PR2S
    cpd36282 C54H89N6O37R2
    cpd36283 None
    cpd36284 C24H35N4O13PR2S
    cpd36285 None
    cpd36286 C20H14Ca3N3O3R4
    cpd36287 C20H33N5O10PR2S3
    cpd36288 C11H19N2O4RS
    cpd36289 C17H32N4O9PR2S
    cpd36290 C20H34NO15R
    cpd36291 C9H13N3O3R3
    cpd36292 C8H16N3O3R2
    cpd36293 C31H55N2O8PRS
    cpd36294 FeR
    cpd36295 C21H30N3O10PR2S
    cpd36296 C5H7O9P2R2
    cpd36297 None
    cpd36298 C18H31O15R
    cpd36299 None
    cpd36301 C8H18N4OR2
    cpd36302 C6H8N3O3R4
    cpd36303 C5H8NO3R
    cpd36304 C11H18NO11PR2
    cpd36305 C4H5N2O3R3
    cpd36306 C8H10NO5R3S
    cpd36307 C5H8N2O2R3S
    cpd36308 C56H93N4O42R2
    cpd36309 C30H18O9R9
    cpd36310 C16H30N4O9PR2S
    cpd36311 C30H51O4R2
    cpd36312 C76H144O5R4
    cpd36313 C18H34N4O10PR2S
    cpd36314 None
    cpd36315 C19H34N4O9PR2S
    cpd36316 C2H5NOR
    cpd36317 C4H6N2O2R3
    cpd36318 C6H14N2O2R2
    cpd36319 C65H107N6O45R2
    cpd36320 C16H29OR
    cpd36322 None
    cpd36323 C8H10N4O5R5
    cpd36324 C32H52N4O22R
    cpd36325 None
    cpd36326 C14H20N2O3RS
    cpd36327 C6H8N2O4R2
    cpd36328 C31H50N2O23R
    cpd36329 C14H16NO6R
    cpd36331 C26H42O8R2
    cpd36332 C39H66N3O10PR2S
    cpd36333 C47H79N7O17P3RS
    cpd36334 C2H2R2
    cpd36336 C24H38O25R2S2
    cpd36337 None
    cpd36338 C62H103N4O47R2
    cpd36339 None
    cpd36340 C28H50O5R
    cpd36341 C19H29N4O9PR2S
    cpd36342 C3H6NO4RS
    cpd36343 C29H39N6O12PR2S2
    cpd36344 C16H19N6O14P2R2S
    cpd36345 C29H48N2O8PRS
    cpd36347 C10H17N2O4RS
    cpd36348 None
    cpd36349 C19H31O2R
    cpd36350 None
    cpd36351 C4H6N2O2R3
    cpd36352 C62H103N4O47R2
    cpd36353 C16H19N8O7PR2
    cpd36354 C2H5NOR
    cpd36355 None
    cpd36356 C15H19N5O16P3R2
    cpd36357 C27H48N2O8PRS
    cpd36358 C21H36N3O10PR2S
    cpd36359 C22H34N3O15R3
    cpd36360 None
    cpd36361 C27H51O3R
    cpd36362 C2H4NORS
    cpd36363 C10H14N3O11P2R2
    cpd36364 C67H115N4O38R
    cpd36365 C22H32O5R2
    cpd36366 None
    cpd36367 C8H17N5O2R2
    cpd36368 C20H33OR
    cpd36369 C6H7N3O4R4
    cpd36370 C15H2O3R9
    cpd36371 C35H50N2O30R2
    cpd36372 C16H30N4O9PR2S
    cpd36373 C20H31OR
    cpd36374 C28H52O8PR2
    cpd36375 C4H6N2O3R2
    cpd36376 C3H7NO2RS
    cpd36377 C14H20NO12R2
    cpd36378 C39H73N3O9PR3S
    cpd36379 C5H8N2O2R3S
    cpd36380 C12H15N6O8PR
    cpd36381 C5H8NO3R
    cpd36382 None
    cpd36383 C14H19NO4R
    cpd36384 C30H54O8PR2
    cpd36385 C15H6O5R6
    cpd36386 None
    cpd36387 C25H37N5O10PR2S
    cpd36388 C5H7O9P2R2
    cpd36389 C3H5NO4R2S4
    cpd36391 C20H39N2O2R2
    cpd36392 C27H44NO23R3
    cpd36393 C47H73N7O23P3R2S
    cpd36394 C34H56NO35P3R3
    cpd36395 C9H12N3O10P2R2S
    cpd36396 C16H28N4O3RS
    cpd36397 None
    cpd36398 C12H26N5O2R
    cpd36399 C15H16N6O13P2R2
    cpd36400 C15HO2R9
    cpd36401 C20H36O5R2
    cpd36402 C40H66N3O16PR2S
    cpd36403 C19H35OR
    cpd36405 C32H44O27R2
    cpd36406 C20H35N4O12P2R2S
    cpd36407 C4H6O2R
    cpd36408 C27H43N7O12PR2S
    cpd36409 C5H10NO2R2S
    cpd36410 C4H5N2O3R3
    cpd36411 C10H20NO7PR2
    cpd36412 None
    cpd36414 C32H44N3O17PR2S
    cpd36415 C3H12FeN5O2R2S
    cpd36416 C46H75N3O44P3R3
    cpd36417 C48H76N8O14PR2S
    cpd36418 C10H19N4O4R6S2
    cpd36419 C32H53N3O15PR2S
    cpd36420 C5H7O2R
    cpd36421 C25H41N3O17R3
    cpd36422 C26H38N5O6R5S
    cpd36423 C17H29N3O9PR3S
    cpd36424 C30H50O26R2
    cpd36425 C22H34O8PR
    cpd36426 C7H9O5R
    cpd36427 C9H15N2O4RS
    cpd36428 C5H5O8PR3
    cpd36429 C11H13N5O9P2R2
    cpd36430 C39H62N8O19R
    cpd36431 C46H81N7O14PR2S
    cpd36432 C51H98N3O10PR2S
    cpd36433 C11H18N3O4RS
    cpd36434 C15H24R2
    cpd36435 C38H70N3O9PR4S
    cpd36436 C25H49N2O9PRS
    cpd36437 C30H50N3O27P2R3
    cpd36438 C25H37N4O12PR2S
    cpd36440 C19H34N3O9PR2S
    cpd36441 C100H171N19O71P5R
    cpd36442 C5H8NO2R
    cpd36443 C68H107N10O17PR2S
    cpd36444 C4H8N2O2R
    cpd36445 C7H11O4R
    cpd36446 C100H159N7O63R
    cpd36447 C19H28ClN4O9PR2S
    cpd36448 C25H41N3O17R3
    cpd36449 C6H10N2O4R4SSe
    cpd36450 C10H14N3O11P2R2
    cpd36451 C3H7NOR
    cpd36452 C15H3O3R9
    cpd36453 C22H34O5R2
    cpd36454 None
    cpd36455 C7H12N3O3R2
    cpd36456 C4H7O4R
    cpd36457 C36H34O16R2
    cpd36458 C33H47N4O18PR2S
    cpd36459 C5H7O7PR2
    cpd36460 C11H11N2O15P2R2
    cpd36461 C5H10NO4RS
    cpd36462 C15H19N5O16P3R2
    cpd36463 C20H33OR
    cpd36465 C11H13OR
    cpd36466 None
    cpd36467 C3H3O4R2
    cpd36468 C3H7NORS
    cpd36469 C16H19N6O14P2R2
    cpd36470 C40H61N2O33R2
    cpd36471 C16H27N3O9PR3S
    cpd36472 C25H40N2O19R
    cpd36473 C62H102N7O42R2
    cpd36474 C10H17NO8R2
    cpd36475 C27H49O12R
    cpd36476 C23H36N4O10PR2S
    cpd36477 C21H33O2R
    cpd36478 C19H23N5O21P4R4
    cpd36479 C5H10NO3RS
    cpd36481 C10H12N5O7PR
    cpd36482 C12H17N3O15P2R2S
    cpd36483 C45H73N3O33R
    cpd36485 C10H19NO6RS2
    cpd36486 C16H21N3O2RS
    cpd36487 C26H44NO20R
    cpd36488 C28H47N2O20R
    cpd36489 C22H34O8PR
    cpd36490 C18H22N6O13P2R2
    cpd36491 C22H32N3O11PR2S
    cpd36492 C21H31N4O10PR2S
    cpd36493 C23H39N2O8PRS
    cpd36494 C67H111N4O39R
    cpd36495 C10H15O12R2S
    cpd36496 C7H15N3O3R
    cpd36497 C24H30N4O10PR2S
    cpd36498 C18H29OR
    cpd36499 C95H151N8O28P2R
    cpd36500 C18H33NO14R
    cpd36501 C20H21N7O7R
    cpd36502 C34H32FeN4O6R
    cpd36504 C11H18N2O7R3
    cpd36505 C18H33ClN4O10PR2S
    cpd36506 C24H35O24PR3
    cpd36507 None
    cpd36508 C94H155N8O67R2
    cpd36509 C26H44NO19R
    cpd36510 C70H118N4O41R
    cpd36511 C18H31O2R
    cpd36512 C25H48NO8R
    cpd36513 C32H51O6R
    cpd36514 C6H8N3O4R4
    cpd36515 C19H27OR
    cpd36516 C7H14NO7PR2
    cpd36517 C60H115N3O10PR3S
    cpd36518 None
    cpd36519 C9H19N5O4RS
    cpd36520 None
    cpd36521 C13H13N5O11P2R2
    cpd36522 C86H143N4O67R2
    cpd36523 C62H89CoN13O14PR
    cpd36524 None
    cpd36525 C23H36O20R2
    cpd36526 C22H32N7O18P3RS
    cpd36527 C19H28BrN4O9PR2S
    cpd36528 C10H19N3O3RS
    cpd36529 C8H17N5O2R2
    cpd36530 C19H35OR
    cpd36531 C16H24N7O7PR2
    cpd36532 C20H35N4O11PR2S
    cpd36533 None
    cpd36534 C28H38N3O14PR2S
    cpd36535 C42H70N3O31R
    cpd36536 C16H29NO2R3S
    cpd36537 C16H19N8O8PR2
    cpd36538 C5H8O4R2
    cpd36539 C79H143O6R6
    cpd36540 C19H32NO3R
    cpd36541 C23H36O23PR2
    cpd36542 C19H27Br2N4O9PR2S
    cpd36543 C34H44N3O17PR2S
    cpd36544 C4H5N2O2RS
    cpd36545 C102H167N4O48P5R
    cpd36546 C21H16O8R8
    cpd36548 C31H54N3O13PR2S
    cpd36549 C5H8N2O2R3S
    cpd36550 C25H37N7O18P3RS
    cpd36551 C19H22N8O16P3R2
    cpd36552 C10H11N5O11P2R
    cpd36553 C3H2OR2
    cpd36555 C3H5NO2R3
    cpd36556 C8H16N5O3R2
    cpd36557 C20H34NO15R
    cpd36558 C10H10N5O10P2R
    cpd36559 C20H14N3OR3
    cpd36560 C16H28N5O6R2
    cpd36561 C20H32N3O9PR2S
    cpd36562 None
    cpd36563 None
    cpd36564 C20H35N3O9PR3S
    cpd36565 C13H16N2O15P2R2
    cpd36566 C10H20N2O2RS
    cpd36567 C49H69N8O15PR2S
    cpd36568 None
    cpd36569 C4H5N2O3R3
    cpd36570 C3H5NO4R2S3
    cpd36571 C6H14N2O2R
    cpd36572 C29H46O25R2
    cpd36573 C39H69N3O12PR3S
    cpd36574 C6H7N2O5R3
    cpd36575 C13H22N2O5R2
    cpd36576 C30H51O3R
    cpd36577 C25H37N5O9PR2S
    cpd36578 C24H35N4O11PR2S2
    cpd36579 C62H103N4O47R2
    cpd36580 None
    cpd36581 C21H16O8R8
    cpd36582 None
    cpd36583 C9H12N3O4R3
    cpd36584 C8H14N3O4R2
    cpd36585 C25H44N3O10PR2S
    cpd36586 C56H92N8O17PR2S
    cpd36587 C31H54N3O14PR2S
    cpd36588 C20H33R
    cpd36589 None
    cpd36590 C12H15N5O9P2R2
    cpd36591 C12H27N4O2R2
    cpd36592 C8H18N4OR2
    cpd36593 C22H32N7O18P3RS
    cpd36594 C6H9O2R
    cpd36595 C6HOR5
    cpd36596 C20H40NO4R
    cpd36597 C129H212NO67P2R
    cpd36598 C17H21O4R
    cpd36599 C25H41N3O17R3
    cpd36600 C5H7NO3R2S
    cpd36602 C25H41O6R
    cpd36603 C14H23N4O7RS2
    cpd36604 C30H45O29PR3
    cpd36605 C74H123N4O57R2
    cpd36606 C8H11N4O3R
    cpd36607 C4H8N2O2R
    cpd36608 C37H62N2O36P3R3
    cpd36609 C89H143N6O55R
    cpd36610 C15H16N2O10PR2S2
    cpd36611 C9H18N2O3RS
    cpd36612 C36H60O9R2
    cpd36613 None
    cpd36614 C12H16Fe4N4O4R8S8
    cpd36615 C2H3NO2R2
    cpd36616 C19H34N4O9PR2S
    cpd36617 C9H16NO10RS2
    cpd36618 C5H9N2O2R2S
    cpd36619 C24H39O20R
    cpd36620 C22H36O8PR
    cpd36621 C16H21N2O4RS
    cpd36622 C29H51N6O14P2R2S
    cpd36623 C6H8O5RS
    cpd36624 None
    cpd36625 C10H12N2O11P2R2
    cpd36626 C19H27Cl2N4O9PR2S
    cpd36627 C8H15N2O2R2
    cpd36628 C26H47O10R
    cpd36629 C98H175O18R6
    cpd36630 C3H6O3R2
    cpd36631 C20H36N3O10PR2S
    cpd36632 C4H5N2O3R3
    cpd36634 C32H56N3O9PR2S
    cpd36635 C18H30N3O11PR2S
    cpd36636 C18H22N3O3RS
    cpd36637 C14H15N5O11P2R2
    cpd36638 C15H19N5O16P3R2
    cpd36639 C17H19O5R
    cpd36640 C20H38N4O9PR2S
    cpd36641 C12H18N2O5RS
    cpd36642 C3H2O2R2
    cpd36643 C62H89CoN13O14PR
    cpd36644 C10H13N2O7R
    cpd36645 None
    cpd36646 None
    cpd36647 C23H33N4O12PR2S
    cpd36648 C66H108N10O21PR2S
    cpd36649 C78H108CoN21O18PR2
    cpd36650 C3H3O3R2
    cpd36651 C19H31O3RS
    cpd36652 C8H11N2O6PR3
    cpd36653 C6H15N2OR
    cpd36654 C26H44NO20R
    cpd36655 None
    cpd36656 C36H61O8R
    cpd36657 C39H63N3O29R
    cpd36658 C24H40O21R2
    cpd36659 C15H18N5O17P3R3
    cpd36660 C13H23N2O3RS
    cpd36661 C4H5O3RS
    cpd36662 C21H30N3O10PR2S
    cpd36663 C16H27OR
    cpd36664 C3H6NOR2S3
    cpd36665 C26H20O11R9
    cpd36666 C48H74N3O38R2
    cpd36667 C100H179O18R6
    cpd36668 C17H32N4O9PR2S
    cpd36669 C33H55NO27R3
    cpd36670 C7H8O7PR
    cpd36671 C27H49N3O11PR3S
    cpd36672 C16H29OR
    cpd36673 C33H41N4O16PR2S
    cpd36674 None
    cpd36675 C5H11NO2RS
    cpd36676 C8H17N3O2R2
    cpd36677 C161H285N14O79P8R
    cpd36678 C36H42N5O7R2S
    cpd36679 C20H14N3O3R3
    cpd36680 C22H33OR
    cpd36681 C27H30N9O9R5
    cpd36682 C21H33OR
    cpd36683 C36H60O31R2
    cpd36684 C39H66N3O10PR2S
    cpd36685 C116H187N10O83R2
    cpd36686 C20H34N3O9PR2S
    cpd36687 C9H12N3O7PR
    cpd36688 C5H8O6PR
    cpd36689 C10H17ORS
    cpd36690 C6H8N3O4R4
    cpd36691 C15H2O3R9
    cpd36692 C34H39O33R2
    cpd36693 None
    cpd36694 C23H33N4O12PR2S
    cpd36696 C92H153N4O72R2
    cpd36697 C3H13FeN5O3R2S
    cpd36698 C7H6O7PR
    cpd36699 C37H44N12O23P3R
    cpd36700 C36H42N5O7R2S
    cpd36701 C78H130O66R2
    cpd36703 None
    cpd36704 C30H38N3O13PR2S
    cpd36705 C20H19N7O6R
    cpd36706 C43H71O6PR
    cpd36707 C6H4N5O2R
    cpd36708 C8H16N2O2RS2
    cpd36709 C74H118N11O19PR2S
    cpd36710 None
    cpd36712 C25H47N2O8PRS
    cpd36713 C18H34N4O9PR2S
    cpd36714 C18H22N6O20P4R4
    cpd36716 C18H33OR
    cpd36717 C36H61O8R
    cpd36718 C8H16N2O2RS
    cpd36719 None
    cpd36720 C68H113N4O52R2
    cpd36721 C15H29N2O2R2
    cpd36722 C24H40O21R
    cpd36723 C4H6O7PR2
    cpd36724 C22H38N5O12PR2S
    cpd36726 C18H29OR
    cpd36727 C123H223N16O84P6R3
    cpd36728 C22H40O8PR
    cpd36729 None
    cpd36730 C70H115N8O47R2
    cpd36731 C17H29N4O11PR2S
    cpd36732 C57H90N3O54P3R3
    cpd36733 C20H31N5O10PR2S3
    cpd36734 C9H10N3O10P2R
    cpd36735 C31H55N2O8PRS
    cpd36736 C12H23NO10R
    cpd36737 C37H62N3O10PR2S
    cpd36738 C18H31OR
    cpd36739 C62H89CoN13O14PR
    cpd36740 C5H8N2O2R3S
    cpd36741 C5H8O15P4R2
    cpd36742 C28H47N2O21R
    cpd36743 C5H8N2O2R3S
    cpd36744 C10H16O9R2
    cpd36745 C19H29N4O9PR2S
    cpd36746 C15H3O3R9
    cpd36747 C9H17N4O3R2
    cpd36748 C33H45N4O18PR2S
    cpd36749 C36H42N5O7R2S
    cpd36750 C10H17N2O4R
    cpd36751 C28H50O8PR2
    cpd36753 None
    cpd36754 C16H25OR
    cpd36755 C4H6N2O2R3
    cpd36756 None
    cpd36757 C6H10NO3R2
    cpd36758 C15H24N3O2R
    cpd36759 C74H123N4O57R2
    cpd36760 C87H141N12O66P4R
    cpd36761 None
    cpd36762 None
    cpd36763 C4H5NO6PR2
    cpd36764 C4H5NO6PR2
    cpd36765 None
    cpd36767 C78H128N9O52R2
    cpd36768 C9H18N4O3R2
    cpd36769 C20H38N4O9PR2S
    cpd36770 C27H49N3O10PR3S
    cpd36771 C24H42N3O10PR2S
    cpd36772 C19H25N6O13P2R2
    cpd36773 C5H9N2O3R
    cpd36774 C24H42N3O10PR2S
    cpd36775 C20H36O8PR
    cpd36776 C51H83N3O37R
    cpd36777 None
    cpd36778 C71H117N11O51P3R
    cpd36779 C16H28O10R2
    cpd36780 None
    cpd36781 None
    cpd36782 C10H14O15P3R3
    cpd36783 C21H24N7O6R3
    cpd36784 C20H31OR
    cpd36785 None
    cpd36786 C20H34O5R2
    cpd36787 C13H25N3O3RS
    cpd36788 C67H111N4O39R
    cpd36789 Ca3R
    cpd36790 C27H46N2O9PRS
    cpd36791 C7H12NO6RS
    cpd36792 C40H64O33R2
    cpd36793 C95H160N3O45P6R
    cpd36795 C4H6NO2R
    cpd36796 C5H8NO3R
    cpd36797 C5H7O10P2R2
    cpd36798 C19H36NO4R
    cpd36800 C11H21N5O4R
    cpd36801 C9H13NO10PR2
    cpd36802 C25H41N3O17R3
    cpd36803 C9H17N3O4RS2
    cpd36804 None
    cpd36805 C28H44N3O10PR2S
    cpd36806 C6H7N2O5R3
    cpd36807 C6H8N3O4R3
    cpd36808 C6H8O5RS
    cpd36809 C20H21N7O6R
    cpd36810 C10H13N2O10PR
    cpd36811 None
    cpd36812 C106H179N5O51P6R
    cpd36813 C21H36N6O12PR2S
    cpd36814 C92H165O14R6
    cpd36815 C23H36N4O11PR2S
    cpd36816 None
    cpd36817 C31H55N2O9PRS
    cpd36818 None
    cpd36819 C14H29N5O4R2
    cpd36820 C5H8N2O3R2
    cpd36821 C68H113N4O52R2
    cpd36822 None
    cpd36823 C13H15N5O5R
    cpd36824 C19H19N7O5R
    cpd36825 C23H44O2R
    cpd36826 C5H8N2O2R3S
    cpd36827 C22H38O5R2
    cpd36829 C7H10N2O4R2
    cpd36830 C10H12N2O11P2R2S
    cpd36831 C14H20N2O2RS
    cpd36832 C15H24N5O2R
    cpd36834 C34H57N2O24R
    cpd36835 None
    cpd36836 C53H96O13R2
    cpd36837 None
    cpd36838 C21H25N5O10PR2
    cpd36839 C46H76N5O32R2
    cpd36840 C37H62N3O10PR2S
    cpd36841 C6H7N3O4R4
    cpd36842 C20H30O3R
    cpd36843 C24H40O21R2
    cpd36844 C12H14N2O15P2R2
    cpd36845 C10H12N5O14P3R
    cpd36846 C12H24N4O4R8S4
    cpd36847 C26H48O3R2
    cpd36848 C21H34NO18R3
    cpd36849 C14H25N7O10P2R2
    cpd36852 C23H33N5O25P5R3
    cpd36853 C18H27OR
    cpd36855 C8H17N5O3R
    cpd36856 C73H138N3O10PR2S
    cpd36857 C15H29N2O2R2
    cpd36858 None
    cpd36859 None
    cpd36860 C19H33N4O11PR2S
    cpd36861 None
    cpd36862 C3H6NO3RS
    cpd36863 C11H14N2O11P2R2
    cpd36864 C31H52N3O14PR2S
    cpd36865 C30H52N3O14PR2S
    cpd36866 None
    cpd36867 C14H17N2O18P3R3
    cpd36868 C18H34N4O10PR2S
    cpd36869 C3H5NO4R2S3
    cpd36870 C11H16N2O5RS
    cpd36871 C24H39O20R
    cpd36872 C19H29N4O9PR2S
    cpd36873 C23H42N3O10PR2S
    cpd36874 C16H24N7O8PR2
    cpd36875 C3H5O4R2S
    cpd36876 C12H17N3O14P2R2S2
    cpd36877 C24H34N2O27R2S2
    cpd36878 C30H51O4R
    cpd36879 None
    cpd36880 C18H27OR
    cpd36881 C42H44O21R2
    cpd36882 C36H67N3O9PR3S
    cpd36884 C38H69N3O9PR3S
    cpd36885 C13H27R
    cpd36886 None
    cpd36887 C19H34N4O9PR2S
    cpd36888 C5H7O10P2R2
    cpd36889 C9H13N3O3R3
    cpd36890 C19H36NO4R
    cpd36891 C19H14Ca3N3OR4
    cpd36892 C12H26N3O2R
    cpd36893 None
    cpd36894 C25H37N4O13PR2S
    cpd36895 None
    cpd36896 C30H50O26R2
    cpd36897 C7H10N2O3R2
    cpd36898 C5H7O9P2R2
    cpd36899 C26H45N6O14P2R2S
    cpd36900 None
    cpd36901 C13H16NO3R
    cpd36902 C6H8N2O4R
    cpd36903 C51H86N3O13PR2S
    cpd36904 C10H11N5O11P2R2
    cpd36905 C5H8N2O2R3S
    cpd36906 C9H14N4O2R4S
    cpd36907 C5H7NO3R2
    cpd36908 C40H72N3O9PR6S
    cpd36909 C26H45O10R
    cpd36911 C19H14N3OR3
    cpd36912 C23H30N10O19P4R
    cpd36913 C25H40N4O11PR2S
    cpd36914 C22H31N5O25P5R3
    cpd36915 C14H24NO11R
    cpd36916 C6H7N3O4R4
    cpd36917 C32H51N4O21R
    cpd36918 C18H25O19PR3
    cpd36919 C26H47N4O11PR2S
    cpd36920 C30H49O4R2
    cpd36921 C84H141N5O51R
    cpd36922 C24H33N4O11PR2S2
    cpd36923 C14H29N7O4R2
    cpd36924 C7H14N2O2RS
    cpd36925 C33H39N4O14PR2S
    cpd36926 C6H8N3O4R4
    cpd36927 C23H32O7PR3
    cpd36928 C25H35Cl2N4O12PR2S
    cpd36929 C105H186O18R13S
    cpd36930 C20H37OR
    cpd36931 C6H8N2O4R4SSe
    cpd36932 C26H39N7O18P3RS
    cpd36934 C4H8O6PR
    cpd36935 C34H46N3O18PR2S
    cpd36936 C25H50N2O9PRS
    cpd36937 None
    cpd36938 C14H19N4O4R4
    cpd36939 C3HO3R2
    cpd36940 C62H90CoN13O14PR2
    cpd36941 None
    cpd36942 C17H28N2O11PR2S
    cpd36943 C17H31N4O5RS2
    cpd36944 C3H5NO4R2S3
    cpd36945 C18H33O2R
    cpd36946 C30H37N12O22P3R2
    cpd36947 C11H13N5O9P2R2
    cpd36948 C15H18N3O3R2
    cpd36949 C54H104N3O10PR2S
    cpd36950 C11H19N3O3R4
    cpd36951 C34H48O38R3S3
    cpd36952 C24H35N4O12PR2S2
    cpd36953 C8H14NO2RS
    cpd36954 C7H16N2OR2
    cpd36956 C23H35ClN4O11PR2S
    cpd36957 C9H10N2O11P2R2S
    cpd36958 C22H31OR
    cpd36959 C30H53O4R2
    cpd36960 C20H14N3OR4
    cpd36961 C13H18NO3R
    cpd36962 None
    cpd36963 C31H55O4R2
    cpd36964 C23H35ClN4O10PR2S
    cpd36965 C19H29N4O9PR2S
    cpd36966 C4H5NO4R
    cpd36967 C3H5NO2R3
    cpd36968 None
    cpd36969 C30H50O26R2
    cpd36970 C9H9NO6R4S
    cpd36971 C27H46N2O8PRS
    cpd36972 C23H36N5O8PR
    cpd36973 C16H29OR
    cpd36974 None
    cpd36975 C26H46N3O11PR2S
    cpd36976 C41H74N6O12PR2S
    cpd36977 C20H20N7O5R
    cpd36978 C33H53N8O8R4S2
    cpd36979 C17H32N4O9PR2S
    cpd36980 C4H6N2O2R3
    cpd36981 C80H133N4O62R2
    cpd36982 C25H42N2O8PRS
    cpd36983 C36H60O8R2
    cpd36984 C23H47R
    cpd36985 C16H30NO2R
    cpd36986 C19H33N4O11PR2S
    cpd36988 C9H16O11PR2
    cpd36989 C42H70O36R2
    cpd36990 C9H10N2O13P2R2
    cpd36991 C36H60O31R2
    cpd36992 None
    cpd36993 C39H45N13O22P3R
    cpd36994 None
    cpd36995 C28H38N3O14PR2S
    cpd36996 C21H13O9R6
    cpd36997 C39H51N8O12PR2S
    cpd36998 C23H40N5O13P2R2S
    cpd36999 C3H5NO3R2S2
    cpd37000 C17H32N4O10PR2S
    cpd37001 C9H10N2O12P2R
    cpd37002 C7H8N2O3R2
    cpd37003 C9H19N5O5RS
    cpd37004 C18H22N6O14P2R2
    cpd37005 None
    cpd37006 C20H14N3OR4
    cpd37007 C48H88N3O12PR2S
    cpd37008 C21H30N3O10PR2S
    cpd37009 C10H18NO9RS3
    cpd37010 C6H11N2O2R3S2
    cpd37011 None
    cpd37012 C4H7OR
    cpd37013 C36H61O9R
    cpd37014 C5H7O6PR2
    cpd37015 C29H49N2O9PRS
    cpd37016 None
    cpd37017 C68H113N4O52R2
    cpd37018 C6H6O4RS
    cpd37019 C22H28N10O19P4R
    cpd37020 C10H18N3O5R
    cpd37021 None
    cpd37022 C3H6NO3R
    cpd37023 C62H105N3O36R
    cpd37024 C10H10N5O9P2R
    cpd37025 C73H121N11O52P3R
    cpd37026 C23H33N4O11PR2S
    cpd37027 C16H27OR
    cpd37028 C9H15N4O2R2
    cpd37029 C29H48N2O8PRS
    cpd37030 C10H18NO10RS3
    cpd37031 C62H89CoN13O14PR
    cpd37032 C17H28N2O12R3
    cpd37033 C13H24NO4R
    cpd37034 C6H13N4O4PR2
    cpd37035 C15H19N5O17P3R2
    cpd37036 C32H54N8O6R4S2
    cpd37037 C15H18N6O6R
    cpd37038 C24H40O21R2
    cpd37039 C79H131N2O28P4R
    cpd37040 C25H49N2O8PRS
    cpd37041 None
    cpd37042 C80H133N4O62R2
    cpd37043 C26H42N3O10PR2S
    cpd37044 C19H22N8O17P3R2
    cpd37045 C33H52N3O10PR2S
    cpd37046 C10H15NO6R2
    cpd37047 C2H4OR2S2
    cpd37048 C86H155O10R6
    cpd37049 C20H34NO15R
    cpd37050 C22H40O5R2
    cpd37051 C19H26Br3N4O9PR2S
    cpd37052 C21H13O9R6
    cpd37053 C19H17N7O5R
    cpd37054 C7H5O4R
    cpd37055 C17H32N4O9PR2S
    cpd37056 None
    cpd37057 C21H30N3O10PR2S
    cpd37059 C16H30N4O9PR2S
    cpd37060 C19H33NO3R2
    cpd37061 C75H142O5R6
    cpd37062 C55H93O4PR
    cpd37063 C16H31N6O4R4
    cpd37064 C49H82N3O13PR2S
    cpd37065 C4H5N2O3R3
    cpd37066 C40H66N3O17PR2S
    cpd37067 C3H7NO2R
    cpd37068 C5H8N2O2R3S
    cpd37069 C21H35NO17R3
    cpd37070 None
    cpd37071 C43H82N3O9PR2S
    cpd37072 C20H26N5O21P4R3
    cpd37073 C40H68N3O38P3R3
    cpd37074 C42H71O13R
    cpd37075 C7H16N2OR2
    cpd37076 C41H78N3O9PR2S
    cpd37077 None
    cpd37078 C17H29N4O10PR2S
    cpd37079 None
    cpd37080 C20H35O2R
    cpd37081 C77H127N6O55R2
    cpd37082 C26H43O30P3R3
    cpd37084 C35H56O29R2
    cpd37085 C21H26N6O15P2R2
    cpd37086 C31H49N2O26RS
    cpd37087 C7H11N2O2R2
    cpd37088 C15H18N5O16P3R3
    cpd37089 C26H46NO24PR2
    cpd37090 C11H22N2O2RS
    cpd37091 C36H42N5O7R2S
    cpd37092 None
    cpd37093 C37H57N7O21R2
    cpd37094 C18H31O2R
    cpd37095 C6H16Fe8N2O2R4S10
    cpd37096 C17H32N4O9PR2S
    cpd37097 C19H14Ca3N3OR4
    cpd37098 C42H65O39PR3
    cpd37099 C48H80O41R2
    cpd37100 C17H32N4O10PR2S
    cpd37101 C47H81N7O17P3RS
    cpd37102 C23H33O4R3
    cpd37103 C34H50N7O21R2
    cpd37104 C28H40N3O15PR2S
    cpd37105 C14H19NO5R
    cpd37106 C36H42N5O7R2S
    cpd37107 None
    cpd37108 C56H95N3O31R
    cpd37109 C25H45NO11RS
    cpd37110 C7H11O4R
    cpd37111 C17H26O15R2
    cpd37113 C14H24N2O5R2
    cpd37114 C4H5N2O3R3
    cpd37115 C19H14N3OR3
    cpd37116 C20H24N8O16P3R2
    cpd37117 C20H24N4O22P4R4
    cpd37118 C20H37O2R
    cpd37119 C26H41O10R
    cpd37120 C73H125N4O43R
    cpd37121 C7H10N2O5R2
    cpd37122 C32H50N3O10PR2S
    cpd37123 C4H5OR
    cpd37124 C46H66N4O34R2
    cpd37125 C3H7NOR
    cpd37126 C60H99N9O19PR2S
    cpd37127 C9H12N3O4R3
    cpd37129 C21H26N6O16P2R2
    cpd37130 C26H44NO19R
    cpd37131 C25H35N4O12PR2S
    cpd37132 C29H40N2O25R2
    cpd37133 C85H153O10R6
    cpd37134 None
    cpd37135 C9H12N2O10P2R4
    cpd37136 C30H61OR
    cpd37137 C48H75O44PR3
    cpd37138 C51H83N3O48P3R3
    cpd37139 C22H33N4O10PR2S
    cpd37140 C54H104N3O9PR2S
    cpd37141 C36H70O2R2
    cpd37142 C50H74N7O14PR2S
    cpd37143 C18H29OR
    cpd37144 None
    cpd37145 None
    cpd37146 C5H6O9P2R2
    cpd37147 None
    cpd37148 C167H297N16O81P8R
    cpd37149 C78H127N5O47R
    cpd37150 C22H32O8PR
    cpd37151 C25H43N6O13PR2S
    cpd37152 C16H19N8O8PR2
    cpd37153 C30H35O31R2
    cpd37154 C40H75N3O9PR3S
    cpd37155 C51H84N5O36R2
    cpd37156 C5H8NO2RS
    cpd37157 C30H44O41P8R8
    cpd37158 C17H28N2O12R3
    cpd37159 C8H12N2O3R3
    cpd37160 C15H5O2R9
    cpd37161 C24H40O21R2
    cpd37162 C22H33N4O10PR2S
    cpd37163 C4H9NORS
    cpd37164 C7H7O4R
    cpd37165 C5H9N2O2R2
    cpd37166 C105H171N9O75R2
    cpd37167 C31H52O4R
    cpd37168 C145H259N12O69P8R
    cpd37169 C20H36N4O9PR2S
    cpd37170 C32H39N12O24P3R
    cpd37171 C5H8N2O2R3S
    cpd37172 None
    cpd37173 C10H14N5O4R
    cpd37174 C19H25N6O14P2R2
    cpd37175 C5H9O3R
    cpd37176 C3H5NO2R3
    cpd37177 C17H30N2O11PR2S
    cpd37178 C19H36NO2R2S
    cpd37179 C56H93N4O42R2
    cpd37180 C5H9N2O3R
    cpd37181 C8H16N2O3RS
    cpd37182 C3H4NO5PR3
    cpd37183 C15H16N2O11PR2S
    cpd37184 C3H7NOR
    cpd37185 C10H17N2O3RS
    cpd37186 C32H44O27R2
    cpd37187 C10H12N2O11P2R2
    cpd37188 C15H4O2R10
    cpd37189 C36H62N2O16R
    cpd37190 C48H74N3O38R2
    cpd37191 C27H45NO22R3
    cpd37192 C16H21N2O3RS
    cpd37193 C30H37N12O22P3R2
    cpd37194 C26H43O10R
    cpd37195 C30H60O4PR
    cpd37196 C26H52O3R2
    cpd37197 C9H11N3O11P2R
    cpd37198 C85H141N2O33P4R
    cpd37199 C57H99N2O32R
    cpd37200 HO10P3R
    cpd37201 C19H31N3O12R3
    cpd37202 C7H12NO2RS
    cpd37203 C27H48N2O9PRS
    cpd37204 C31H52O8R
    cpd37205 C5H7OR
    cpd37206 C27H46N2O8PRS
    cpd37207 C43H87O6PR
    cpd37208 C27H48O15RS
    cpd37209 C3H5NO2R3
    cpd37210 C19H23N5O21P4R4
    cpd37212 C35H56N5O12PR2S
    cpd37213 C6H12N2O2R4S2
    cpd37214 C22H38O8PR
    cpd37215 C4H3O2R3
    cpd37216 C42H71O13R
    cpd37217 C186H310O155R2
    cpd37218 C6H10N2O5R3S3
    cpd37219 C18H29OR
    cpd37220 C5H8NO2R
    cpd37221 C5H6O2R2
    cpd37222 C6H10O2R
    cpd37223 C20H23N7O5R
    cpd37224 C62H88CoN13O14PR
    cpd37225 C63H104N5O46R2
    cpd37226 C38H71N3O10PR3S
    cpd37227 C20H31OR
    cpd37228 C12H11N5O9P2R2
    cpd37229 C4H9NO2R
    cpd37230 C19H29OR
    cpd37231 C103H173N4O50P6R
    cpd37232 C6H8N3O4R4
    cpd37233 C19H31OR
    cpd37234 None
    cpd37235 C17H28N2O12R3
    cpd37236 None
    cpd37237 C31H49N6O13PR2S
    cpd37238 C18H25OR
    cpd37239 C37H67N5O10PR2S
    cpd37240 C15H17N5O11P2R2
    cpd37241 C39H64O33R2
    cpd37242 C25H35N4O11PR2S
    cpd37243 C18H21O19R2
    cpd37244 CH2O4RS
    cpd37245 C17H29N4O9PR2S2
    cpd37246 C36H42N5O7R2S
    cpd37248 C40H68N3O17PR2S
    cpd37249 C28H40N3O15PR2S
    cpd37250 C36H42N5O7R2S
    cpd37251 C32H55N3O16PR2S
    cpd37252 C18H31O2R
    cpd37253 None
    cpd37254 C101H181O18R6
    cpd37255 C51H91N7O16P3RS
    cpd37256 C22H34O5R2
    cpd37257 C9H17N3O3RS
    cpd37258 C16H24N7O7PR2
    cpd37259 C22H35OR
    cpd37260 C19H33OR
    cpd37261 C26H24O11R8
    cpd37262 C97H165N18O70P5R
    cpd37263 C56H95N3O31R
    cpd37264 C73H140N3O10PR2S
    cpd37265 C28H52N2O25P2R2
    cpd37266 C31H54N2O9PRS
    cpd37267 C15H19N5O15P3R2
    cpd37268 C18H34N4O10PR2S
    cpd37269 C11H19N3O4R3
    cpd37290 C5H11NORS
    cpd37291 C6H10NO2RS
    cpd37292 C6H9N3O5R2

```python
len(cpdDict)
```

    26051

```python
cpdDict.get('cpd00783', None)
```

```python
M['list_of_reactions'][891]
```

    {'id': 'rxn00910',
     'reactants': ['cpd00006', 'cpd00345'],
     'products': ['cpd00005', 'cpd00125'],
     'genes': [],
     'enzymes': ['1.5.1.20']}

```python
def get_delta(tuple1, tuple2):
    # tuple1,2 are (mass, formula)
    # get diff of mass and formulas. tuple2 as from products.
    # return (mdiff, formulaDiff, tuple1[1], tuple2[1])

    F1, F2 = tuple1[1], tuple2[1]
    mdiff = tuple2[0] - tuple1[0]
    if tuple1[0] <= tuple2[0]:
        F2, F1 = tuple1[1], tuple2[1]

    # F1 is the larger
    F1dict, F2dict = parse_chemformula_dict(F1), parse_chemformula_dict(F2)
    # invert F2 and calculate differential formula
    for k,v in F2dict.items():
        F2dict[k] = -v
    formulaDiff = add_formula_dict( F1dict, F2dict )
    if formulaDiff:
        formulaDiff = dict_to_hill_formula(formulaDiff)

    return (mdiff, formulaDiff, tuple1[1], tuple2[1])

```

```python
# get useful rxns
# signature_mass_diff is the mass shift btw all products and all reactants
good = []
for R in M['list_of_reactions']:
    if R['products'] and R['reactants']:
        for C1 in R['reactants']:
            for C2 in R['products']:
                if C1 != C2:
                    D1 = cpdDict.get(C1, None)
                    D2 = cpdDict.get(C2, None)
                    if D1 and D2:
                        diff = get_delta((D1['neutral_mono_mass'], D1['neutral_formula']),
                                         (D2['neutral_mono_mass'], D2['neutral_formula'])
                                        )
                        good.append((R['id'], diff))
                        R['signature_mass_diff'] = diff[0]
                        R['signature_formula_diff'] = diff[1]

print(len(good))
```

    132622

```python
good[40:60]
```

    [('rxn00019', (-42.04695, 'C3H6', 'C3H7NO2', 'HNO2')),
     ('rxn00019', (-31.005813000000003, 'HNO', 'C3H7NO2', 'C3H6O')),
     ('rxn00020', (162.052823, 'C6H10O5', 'H2O', 'C6H12O6')),
     ('rxn00020', (-162.05282400000002, 'C6H10O5', 'C12H22O11', 'C6H12O6')),
     ('rxn00021', (-106.041865, 'C7H6O', 'C14H12O2', 'C7H6O')),
     ('rxn00022', (162.052823, 'C6H10O5', 'H2O', 'C6H12O6')),
     ('rxn00022', (-162.05282400000002, 'C6H10O5', 'C12H22O11', 'C6H12O6')),
     ('rxn00023', (111.928886, 'O3S2', 'H2O3S2', 'H2O6S4')),
     ('rxn00024', (165.078979, 'C9H11NO2', 'O2', 'C9H11NO4')),
     ('rxn00024', (15.994914999999992, 'O', 'C9H11NO3', 'C9H11NO4')),
     ('rxn00025', (252.22418700000003, None, 'O2', 'C20H28O')),
     ('rxn00025', (-252.22418600000003, None, 'C40H56', 'C20H28O')),
     ('rxn00026', (2.015650000000001, 'H2', 'O2', 'H2O2')),
     ('rxn00026', (230.09900300000004, None, 'O2', 'C12H14N4OS')),
     ('rxn00026', (-230.099003, None, 'C12H16N4OS', 'H2O2')),
     ('rxn00026', (-2.0156499999999937, 'H2', 'C12H16N4OS', 'C12H14N4OS')),
     ('rxn00027', (-284.113724, 'C9H21N2O6P', 'C18H34N4O12P2', 'C9H13N2O6P')),
     ('rxn00028', (-13.979264, None, 'O2', 'H2O')),
     ('rxn00028', (142.026609, 'C6H6O4', 'O2', 'C6H6O6')),
     ('rxn00028', (-158.021523, 'C6H6O5', 'C6H8O6', 'H2O'))]

```python
def add_formula_dict2(dict1, dict2):
    '''
    Addition of two formulae as dictionaries.
    This allows calculating formula after a reaction, as dict2 can contain substraction of elements.
    Not as good as using real chemical structures, just a simple approximation.
    '''
    new, result = {}, {}
    for k in set(dict1.keys()).union( set(dict2.keys()) ):
        if k in dict1 and k in dict2:
            new[k] = dict1[k] + dict2[k]
        elif k in dict1:
            new[k] = dict1[k]
        else:
            new[k] = dict2[k]
    for k,v in new.items():
        if v != 0:
            result[k] = v
    return result
```

```python
good2 = []
for line in good:
    rid, DD = line
    if DD[0] != 0:
        F1, F2 = DD[2:4]
        F1dict, F2dict = parse_chemformula_dict(F1), parse_chemformula_dict(F2)
        for k,v in F2dict.items():
            F2dict[k] = -v
        formula_d = add_formula_dict2(F1dict, F2dict)
        good2.append(
        [rid] + [x for x in DD] + [str(formula_d)]
        )

print(len(good2))
```

    131266

```python
good2[88:93]
```

    [['rxn00038',
      86.036779,
      'C4H6O2',
      'H2O',
      'C4H8O3',
      "{'C': -4, 'O': -2, 'H': -6}"],
     ['rxn00038',
      -86.03678000000001,
      'C4H6O2',
      'C8H14O5',
      'C4H8O3',
      "{'C': 4, 'O': 2, 'H': 6}"],
     ['rxn00039',
      -152.01095899999999,
      'C7H4O4',
      'C13H16O10',
      'C6H12O6',
      "{'C': 7, 'O': 4, 'H': 4}"],
     ['rxn00039',
      152.01095800000002,
      'C7H4O4',
      'C13H16O10',
      'C20H20O14',
      "{'C': -7, 'O': -4, 'H': -4}"],
     ['rxn00040',
      152.01095800000002,
      'C7H4O4',
      'H2O',
      'C7H6O5',
      "{'C': -7, 'O': -4, 'H': -4}"]]

```python
# combine +/- values
all_mds = [str(round(abs(x[1]),4)) for x in good2]
print(len(all_mds), len(set(all_mds)))
```

    131266 14035

```python
# so there's 5556 mz_diffs. because all mass were calculated from same source, bin in 0.0002 okay
# make a dict of mz_diff to reaction IDs
mzdiff_dict = {}
for k in set(all_mds):
    mzdiff_dict[k] = []
    for x in good2:
        if abs(abs(x[1])-float(k)) < 0.0002:
            mzdiff_dict[k].append(x[0])

```

```python
list(mzdiff_dict.items())[88:90]
```

    [('1271.3391', ['rxn10531']),
     ('206.0691', ['rxn03362', 'rxn03362', 'rxn45594', 'rxn45594'])]

```python
freq = list(zip(mzdiff_dict.keys(), [len(set(v)) for k,v in mzdiff_dict.items()]))
freq.sort(reverse=True, key=itemgetter(1))
```

```python
from matplotlib import pyplot as plt
```

```python
freq[500]
```

    ('328.2038', 21)

```python
plt.plot([x[1] for x in freq[10:500]] )
```

```python
freq[:40]
```

    [('2.0157', 10614),
     ('2.0156', 10614),
     ('15.9949', 4110),
     ('13.9793', 4075),
     ('79.9665', 2804),
     ('79.9663', 2802),
     ('162.0528', 2463),
     ('727.0805', 1901),
     ('14.0157', 1770),
     ('14.0156', 1770),
     ('711.0856', 1401),
     ('18.0106', 1266),
     ('329.0525', 1162),
     ('159.9327', 1147),
     ('647.1142', 1091),
     ('42.0106', 1025),
     ('0.984', 919),
     ('1.0316', 679),
     ('409.0189', 641),
     ('749.1046', 616),
     ('12.0', 608),
     ('631.1193', 552),
     ('43.9898', 547),
     ('27.9949', 533),
     ('86.0004', 384),
     ('203.0794', 349),
     ('86.0368', 340),
     ('102.0317', 338),
     ('809.1258', 327),
     ('129.0426', 310),
     ('701.1013', 297),
     ('31.9898', 293),
     ('420.0521', 284),
     ('79.9568', 283),
     ('204.1878', 272),
     ('589.172', 271),
     ('132.0423', 260),
     ('68.0626', 258),
     ('177.9432', 248),
     ('22.0241', 244)]

```python
freq[199], mzdiff_dict[freq[199][0]]
```

    (('58.0419', 48),
     ['rxn00030',
      'rxn00671',
      'rxn00734',
      'rxn00995',
      'rxn01131',
      'rxn01709',
      'rxn02848',
      'rxn02848',
      'rxn03478',
      'rxn03610',
      'rxn03979',
      'rxn04000',
      'rxn04014',
      'rxn04015',
      'rxn04563',
      'rxn05940',
      'rxn06859',
      'rxn08043',
      'rxn08043',
      'rxn10589',
      'rxn11394',
      'rxn11675',
      'rxn12090',
      'rxn12777',
      'rxn12823',
      'rxn13006',
      'rxn13496',
      'rxn14178',
      'rxn15094',
      'rxn15324',
      'rxn15325',
      'rxn15734',
      'rxn17398',
      'rxn19028',
      'rxn19030',
      'rxn19030',
      'rxn23640',
      'rxn24440',
      'rxn25253',
      'rxn25599',
      'rxn27665',
      'rxn27667',
      'rxn27667',
      'rxn30333',
      'rxn30333',
      'rxn35548',
      'rxn40600',
      'rxn43674',
      'rxn43989',
      'rxn45568',
      'rxn45568',
      'rxn46173',
      'rxn48129',
      'rxn48474'])

```python
fil = [x for x in freq if 2 < float(x[0]) < 100]
print(len(fil))
print(len([x for x in fil if x[1] > 5]))
```

    2084
    474

## With 14035 mass diff, 2084 are within (2, 100) amu

and

474 occurs more than 5 times

```python
s = json.JSONEncoder().encode( mzdiff_dict )
with open("ModelSeed_universal_signatures_dict.json", "w") as O:
    O.write(s)
```