10fthf_c	C20H23N7O7	smiles	inchi
12dgr120_c	C27H52O5	smiles	inchi
12dgr140_c	C31H60O5	smiles	inchi
12dgr141_c	C31H56O5	smiles	inchi
12dgr160_c	C35H68O5	smiles	inchi
12dgr161_c	C35H64O5	smiles	inchi
12dgr180_c	C39H76O5	smiles	inchi
12dgr181_c	C39H72O5	smiles	inchi
12ppd__R_c	C3H8O2	smiles	inchi
12ppd__S_c	C3H8O2	smiles	inchi
13dpg_c	C3H8O10P2	smiles	inchi
14dhncoa_c	C32H42N7O19P3S1	smiles	inchi
14glucan_c	C36H62O31	smiles	inchi
15dap_c	C5H14N2	smiles	inchi
1ddecg3p_c	C15H31O7P1	smiles	inchi
1hdec9eg3p_c	C19H37O7P1	smiles	inchi
1hdecg3p_c	C19H39O7P1	smiles	inchi
1odec11eg3p_c	C21H41O7P1	smiles	inchi
1odecg3p_c	C21H43O7P1	smiles	inchi
1pyr5c_c	C5H7N1O2	smiles	inchi
5dh4dglc_c	C6H8O7	smiles	inchi
2tdec7eg3p_c	C17H33O7P1	smiles	inchi
5drib_c	C5H10O4	smiles	inchi
2tdecg3p_c	C17H35O7P1	smiles	inchi
1tdec7eg3p_c	C17H33O7P1	smiles	inchi
1tdecg3p_c	C17H35O7P1	smiles	inchi
2tpr3dpcoa_c	C26H46N7O26P5S1	smiles	inchi
5fthf_c	C20H23N7O7	smiles	inchi
23dappa_c	C3H8N2O2	smiles	inchi
5mta_c	C11H15N5O3S	smiles	inchi
34hpp_c	C9H8O4	smiles	inchi
23ddhb_c	C7H8O4	smiles	inchi
35cgmp_c	C10H12N5O7P1	smiles	inchi
5mthf_c	C20H25N7O6	smiles	inchi
23dhacoa_c	C27H42N7O19P3S1	smiles	inchi
5mtr_c	C6H12O4S	smiles	inchi
3amac_c	C3H5N1O2	smiles	inchi
23dhb_c	C7H6O4	smiles	inchi
3c2hmp_c	C7H12O5	smiles	inchi
5prdmbz_c	C14H19N2O7P1	smiles	inchi
23dhba_c	C17H18N5O10P1	smiles	inchi
6hmhpt_c	C7H9N5O2	smiles	inchi
3c3hmp_c	C7H12O5	smiles	inchi
23dhbzs_c	C10H11N1O6	smiles	inchi
3c4mop_c	C7H10O5	smiles	inchi
6hmhptpp_c	C7H11N5O8P2	smiles	inchi
23dhdp_c	C7H7N1O4	smiles	inchi
3dhguln_c	C6H10O7	smiles	inchi
23dhmb_c	C5H10O4	smiles	inchi
3dhgulnp_c	C6H11O10P1	smiles	inchi
6pgc_c	C6H13O10P1	smiles	inchi
23dhmp_c	C6H12O4	smiles	inchi
6pgl_c	C6H11O9P1	smiles	inchi
3dhq_c	C7H10O6	smiles	inchi
3dhsk_c	C7H8O5	smiles	inchi
23doguln_c	C6H8O7	smiles	inchi
8aonn_c	C9H17NO3	smiles	inchi
25aics_c	C13H19N4O12P1	smiles	inchi
3fe4s_c	S4Fe3	smiles	inchi
25dkglcn_c	C6H8O7	smiles	inchi
LalaDglu_c	C8H14N2O5	smiles	inchi
25drapp_c	C9H16N5O8P1	smiles	inchi
LalaDgluMdap_c	C15H26N4O8	smiles	inchi
3hadpcoa_c	C27H44N7O20P3S1	smiles	inchi
26dap_LL_c	C7H14N2O4	smiles	inchi
3hbcoa_c	C25H42N7O18P3S1	smiles	inchi
LalaDgluMdapDala_c	C18H31N5O9	smiles	inchi
LalaLglu_c	C8H14N2O5	smiles	inchi
26dap__M_c	C7H14N2O4	smiles	inchi
N1aspmd_c	C9H21N3O1	smiles	inchi
3hcinnm_c	C9H8O3	smiles	inchi
2agpe120_c	C17H36NO7P1	smiles	inchi
Nmtrp_c	C12H14N2O2	smiles	inchi
Sfglutth_c	C11H17N3O7S1	smiles	inchi
2agpe140_c	C19H40NO7P1	smiles	inchi
aacald_c	C2H5N1O1	smiles	inchi
2agpe141_c	C19H38NO7P1	smiles	inchi
3hdcoa_c	C31H54N7O18P3S1	smiles	inchi
aacoa_c	C25H40N7O18P3S1	smiles	inchi
2agpe160_c	C21H44NO7P1	smiles	inchi
aact_c	C3H7N1O1	smiles	inchi
ac_c	C2H4O2	smiles	inchi
3hddcoa_c	C33H58N7O18P3S1	smiles	inchi
3hhcoa_c	C27H46N7O18P3S1	smiles	inchi
2agpe161_c	C21H42NO7P1	smiles	inchi
3hhdcoa_c	C37H66N7O18P3S1	smiles	inchi
2agpe180_c	C23H48NO7P1	smiles	inchi
acac_c	C4H6O3	smiles	inchi
2agpe181_c	C23H46NO7P1	smiles	inchi
3hocoa_c	C29H50N7O18P3S1	smiles	inchi
acald_c	C2H4O	smiles	inchi
2agpg120_c	C18H37O9P1	smiles	inchi
acanth_c	C9H9N1O3	smiles	inchi
2agpg140_c	C20H41O9P1	smiles	inchi
accoa_c	C23H38N7O17P3S1	smiles	inchi
2agpg141_c	C20H39O9P1	smiles	inchi
3hodcoa_c	C39H70N7O18P3S1	smiles	inchi
2agpg160_c	C22H45O9P1	smiles	inchi
acetol_c	C3H6O2	smiles	inchi
acg5p_c	C7H12N1O8P1	smiles	inchi
2agpg161_c	C22H43O9P1	smiles	inchi
acg5sa_c	C7H11N1O4	smiles	inchi
3hpp_c	C3H6O3	smiles	inchi
3hpppn_c	C9H10O3	smiles	inchi
2agpg180_c	C24H49O9P1	smiles	inchi
acgam_c	C8H15NO6	smiles	inchi
acgam1p_c	C8H16N1O9P1	smiles	inchi
3htdcoa_c	C35H62N7O18P3S1	smiles	inchi
2agpg181_c	C24H47O9P1	smiles	inchi
3ig3p_c	C11H14N1O6P1	smiles	inchi
acgam6p_c	C8H16N1O9P1	smiles	inchi
2ahbut_c	C6H10O4	smiles	inchi
acglc__D_c	C8H14O7	smiles	inchi
3mob_c	C5H8O3	smiles	inchi
2amsa_c	C3H5NO3	smiles	inchi
3mop_c	C6H10O3	smiles	inchi
acglu_c	C7H11N1O5	smiles	inchi
2aobut_c	C4H7NO3	smiles	inchi
acmalt_c	C14H24O12	smiles	inchi
2cpr5p_c	C12H16N1O9P1	smiles	inchi
acmana_c	C8H15NO6	smiles	inchi
2dda7p_c	C7H13O10P1	smiles	inchi
acmanap_c	C8H16N1O9P1	smiles	inchi
2ddecg3p_c	C15H31O7P1	smiles	inchi
acmum6p_c	C11H20N1O11P1	smiles	inchi
2ddg6p_c	C6H11O9P1	smiles	inchi
acnam_c	C11H19N1O9	smiles	inchi
3odcoa_c	C31H52N7O18P3S1	smiles	inchi
3oddcoa_c	C33H56N7O18P3S1	smiles	inchi
2ddglcn_c	C6H10O6	smiles	inchi
acon_C_c	C6H6O6	smiles	inchi
acon_T_c	C6H6O6	smiles	inchi
2dh3dgal_c	C6H10O6	smiles	inchi
aconm_c	C7H8O6	smiles	inchi
2dh3dgal6p_c	C6H11O9P1	smiles	inchi
3ohcoa_c	C27H44N7O18P3S1	smiles	inchi
acorn_c	C7H14N2O3	smiles	inchi
2dhguln_c	C6H10O7	smiles	inchi
3ohdcoa_c	C37H64N7O18P3S1	smiles	inchi
2dhp_c	C6H10O4	smiles	inchi
2dmmq8_c	C50H70O2	smiles	inchi
acser_c	C5H9NO4	smiles	inchi
2dmmql8_c	C50H72O2	smiles	inchi
3oocoa_c	C29H48N7O18P3S1	smiles	inchi
2dr1p_c	C5H11O7P1	smiles	inchi
actp_c	C2H5O5P1	smiles	inchi
2dr5p_c	C5H11O7P1	smiles	inchi
ade_c	C5H5N5	smiles	inchi
2fe1s_c	S2Fe2	smiles	inchi
3ohodcoa_c	C39H68N7O18P3S1	smiles	inchi
2fe2s_c	S2Fe2	smiles	inchi
adn_c	C10H13N5O4	smiles	inchi
adocbi_c	C58H83Co1N16O11	smiles	inchi
3ophb_c	C47H70O3	smiles	inchi
3otdcoa_c	C35H60N7O18P3S1	smiles	inchi
2h3oppan_c	C3H4O4	smiles	inchi
3oxdhscoa_c	C29H44N7O20P3S1	smiles	inchi
adocbip_c	C58H84Co1N16O14P1	smiles	inchi
adocbl_c	C72H100CoN18O17P	smiles	inchi
2hdec9eg3p_c	C19H37O7P1	smiles	inchi
3pg_c	C3H7O7P1	smiles	inchi
2hdecg3p_c	C19H39O7P1	smiles	inchi
3php_c	C3H5O7P1	smiles	inchi
adp_c	C10H15N5O10P2	smiles	inchi
2ippm_c	C7H10O4	smiles	inchi
3psme_c	C10H13O10P1	smiles	inchi
2mahmp_c	C6H11N3O7P2	smiles	inchi
3sala_c	C3H7N1O4S1	smiles	inchi
adpglc_c	C16H25N5O15P2	smiles	inchi
2mcacn_c	C7H8O6	smiles	inchi
adphep_DD_c	C17H27N5O16P2	smiles	inchi
adphep_LD_c	C17H27N5O16P2	smiles	inchi
4abut_c	C4H9NO2	smiles	inchi
4abutn_c	C4H9N1O1	smiles	inchi
2mcit_c	C7H10O7	smiles	inchi
adprib_c	C15H23N5O14P2	smiles	inchi
2me4p_c	C5H13O7P1	smiles	inchi
ag_c	Ag	smiles	inchi
4abz_c	C7H7N1O2	smiles	inchi
4adcho_c	C10H11N1O5	smiles	inchi
2mecdp_c	C5H12O9P2	smiles	inchi
agdpcbi_c	C68H96Co1N21O21P2	smiles	inchi
2obut_c	C4H6O3	smiles	inchi
agm_c	C5H14N4	smiles	inchi
4ahmmp_c	C6H9N3O	smiles	inchi
2odec11eg3p_c	C21H41O7P1	smiles	inchi
4ampm_c	C6H10N3O4P1	smiles	inchi
ahcys_c	C14H20N6O5S	smiles	inchi
2odecg3p_c	C21H43O7P1	smiles	inchi
ahdt_c	C9H16N5O13P3	smiles	inchi
4c2me_c	C14H25N3O14P2	smiles	inchi
4crsol_c	C7H8O	smiles	inchi
2ohph_c	C46H70O2	smiles	inchi
4fe4s_c	S4Fe4	smiles	inchi
aicar_c	C9H15N4O8P1	smiles	inchi
air_c	C8H14N3O7P1	smiles	inchi
2ombzl_c	C47H72O3	smiles	inchi
akg_c	C5H6O5	smiles	inchi
4h2opntn_c	C5H8O4	smiles	inchi
2omhmbl_c	C48H74O4	smiles	inchi
4hbz_c	C7H6O3	smiles	inchi
ala_B_c	C3H7NO2	smiles	inchi
2ommbl_c	C48H74O3	smiles	inchi
ala__D_c	C3H7NO2	smiles	inchi
4hthr_c	C4H9NO4	smiles	inchi
2omph_c	C47H72O2	smiles	inchi
4mhetz_c	C6H9NOS	smiles	inchi
ala__L_c	C3H7NO2	smiles	inchi
2oph_c	C46H70O	smiles	inchi
alaala_c	C6H12N2O3	smiles	inchi
alac__S_c	C5H8O4	smiles	inchi
4mop_c	C6H10O3	smiles	inchi
2oxpaccoa_c	C29H42N7O18P3S1	smiles	inchi
4mpetz_c	C6H10N1O4P1S1	smiles	inchi
2p4c2me_c	C14H26N3O17P3	smiles	inchi
all__D_c	C6H12O6	smiles	inchi
4pasp_c	C4H8N1O7P1	smiles	inchi
2pg_c	C3H7O7P1	smiles	inchi
4per_c	C4H9O8P1	smiles	inchi
all6p_c	C6H13O9P1	smiles	inchi
4ppan_c	C9H18N1O8P1	smiles	inchi
2pglyc_c	C2H5O6P1	smiles	inchi
4ppcys_c	C12H23N2O9P1S1	smiles	inchi
alltn_c	C4H6N4O3	smiles	inchi
alltt_c	C4H8N4O4	smiles	inchi
2sephchc_c	C14H16O9	smiles	inchi
4r5au_c	C9H16N4O6	smiles	inchi
allul6p_c	C6H13O9P1	smiles	inchi
2shchc_c	C11H12O6	smiles	inchi
altrn_c	C6H12O7	smiles	inchi
56dura_c	C4H6N2O2	smiles	inchi
apg140_c	C48H93O11P1	smiles	inchi
5aizc_c	C9H14N3O9P1	smiles	inchi
5aop_c	C5H9NO3	smiles	inchi
5aprbu_c	C9H17N4O9P1	smiles	inchi
amet_c	C15H22N6O5S1	smiles	inchi
ametam_c	C14H22N6O3S1	smiles	inchi
amob_c	C15H19N5O6S	smiles	inchi
apg141_c	C48H87O11P1	smiles	inchi
amp_c	C10H14N5O7P1	smiles	inchi
5apru_c	C9H15N4O9P1	smiles	inchi
apg160_c	C54H105O11P1	smiles	inchi
5caiz_c	C9H14N3O9P1	smiles	inchi
anhgm_c	C19H30N2O12	smiles	inchi
apg161_c	C54H99O11P1	smiles	inchi
anhgm3p_c	C34H54N6O19	smiles	inchi
anhgm4p_c	C37H59N7O20	smiles	inchi
anhm_c	C11H17N1O7	smiles	inchi
5dglcn_c	C6H10O7	smiles	inchi
apg180_c	C60H117O11P1	smiles	inchi
anhm3p_c	C26H41N5O14	smiles	inchi
anhm4p_c	C29H46N6O15	smiles	inchi
apg181_c	C60H111O11P1	smiles	inchi
anth_c	C7H7N1O2	smiles	inchi
ap4a_c	C20H28N10O19P4	smiles	inchi
ap5a_c	C20H29N10O22P5	smiles	inchi
apg120_c	C42H81O11P1	smiles	inchi
appl_c	C3H9N1O1	smiles	inchi
aps_c	C10H14N5O10P1S1	smiles	inchi
ara5p_c	C5H11O8P1	smiles	inchi
arab__L_c	C5H10O5	smiles	inchi
aragund_c	C71H117N1O17P2	smiles	inchi
arbt6p_c	C12H17O10P1	smiles	inchi
arbtn_c	C22H36N4O13	smiles	inchi
arbtn_fe3_c	C22H33FeN4O13	smiles	inchi
ethso3_c	C2H6O3S1	smiles	inchi
crn__D_c	C7H15NO3	smiles	inchi
arg__L_c	C6H14N4O2	smiles	inchi
crnDcoa_c	C28H49N8O18P3S1	smiles	inchi
etoh_c	C2H6O	smiles	inchi
argsuc_c	C10H18N4O6	smiles	inchi
f1p_c	C6H13O9P1	smiles	inchi
crncoa_c	C28H49N8O18P3S1	smiles	inchi
csn_c	C4H5N3O	smiles	inchi
f6p_c	C6H13O9P1	smiles	inchi
ascb6p_c	C6H9O9P1	smiles	inchi
fad_c	C27H33N9O15P2	smiles	inchi
ctbt_c	C7H13NO2	smiles	inchi
ctbtcoa_c	C28H47N8O17P3S1	smiles	inchi
asn__L_c	C4H8N2O3	smiles	inchi
ctp_c	C9H16N3O14P3	smiles	inchi
fadh2_c	C27H35N9O15P2	smiles	inchi
fald_c	CH2O	smiles	inchi
fc1p_c	C6H13O8P1	smiles	inchi
cu_c	Cu	smiles	inchi
aso3_c	AsO3	smiles	inchi
cu2_c	Cu	smiles	inchi
fcl__L_c	C6H12O5	smiles	inchi
aso4_c	AsO4	smiles	inchi
fdp_c	C6H14O12P2	smiles	inchi
cyan_c	CHN	smiles	inchi
asp__L_c	C4H7N1O4	smiles	inchi
cynt_c	CNO	smiles	inchi
fe2_c	Fe	smiles	inchi
aspsa_c	C4H7NO3	smiles	inchi
fe3_c	Fe	smiles	inchi
fe3dhbzs_c	C10H8N1O6Fe1	smiles	inchi
cys__D_c	C3H7NO2S	smiles	inchi
cys__L_c	C3H7NO2S	smiles	inchi
fe3hox_c	C9H18O6N3Fe	smiles	inchi
athr__L_c	C4H9NO3	smiles	inchi
fe3hox_un_c	C9H21O6N3	smiles	inchi
cyst__L_c	C7H14N2O4S	smiles	inchi
athtp_c	C22H30N9O13P3S1	smiles	inchi
fecrm_c	C27H42FeN9O12	smiles	inchi
atp_c	C10H16N5O13P3	smiles	inchi
fecrm_un_c	C27H45N9O12	smiles	inchi
feenter_c	C30H24Fe1N3O15	smiles	inchi
cytd_c	C9H13N3O5	smiles	inchi
dad_2_c	C10H13N5O3	smiles	inchi
b2coa_c	C25H40N7O17P3S1	smiles	inchi
dad_5_c	C10H13N5O3	smiles	inchi
feoxam_c	C25H45Fe1N6O8	smiles	inchi
bbtcoa_c	C28H49N8O17P3S1	smiles	inchi
feoxam_un_c	C25H48N6O8	smiles	inchi
fgam_c	C8H15N2O9P1	smiles	inchi
dadp_c	C10H15N5O9P2	smiles	inchi
betald_c	C5H11N1O1	smiles	inchi
damp_c	C10H14N5O6P1	smiles	inchi
bglycogen_c	C6H10O5	smiles	inchi
dann_c	C9H20N2O2	smiles	inchi
bmoco_c	C20H24N10O13P2S4Mo1	smiles	inchi
datp_c	C10H16N5O12P3	smiles	inchi
bmoco1gdp_c	C30H36N15O20P3S4Mo1	smiles	inchi
fmn_c	C17H21N4O9P1	smiles	inchi
db4p_c	C4H9O6P1	smiles	inchi
bmocogdp_c	C40H48N20O27P4S4Mo1	smiles	inchi
dc2coa_c	C31H52N7O17P3S1	smiles	inchi
fmnh2_c	C17H23N4O9P1	smiles	inchi
btal_c	C4H8O	smiles	inchi
for_c	C1H2O2	smiles	inchi
dca_c	C10H20O2	smiles	inchi
btcoa_c	C25H42N7O17P3S1	smiles	inchi
forcoa_c	C22H36N7O17P3S1	smiles	inchi
btn_c	C10H16N2O3S1	smiles	inchi
fpram_c	C8H16N3O8P1	smiles	inchi
dcacoa_c	C31H54N7O17P3S1	smiles	inchi
btnso_c	C10H16N2O4S1	smiles	inchi
dcamp_c	C14H18N5O11P1	smiles	inchi
fprica_c	C10H15N4O9P1	smiles	inchi
but_c	C4H8O2	smiles	inchi
frdp_c	C15H28O7P2	smiles	inchi
dcdp_c	C9H15N3O10P2	smiles	inchi
dcmp_c	C9H14N3O7P1	smiles	inchi
dctp_c	C9H16N3O13P3	smiles	inchi
dcyt_c	C9H13N3O4	smiles	inchi
fru_c	C6H12O6	smiles	inchi
frulys_c	C12H24N2O7	smiles	inchi
frulysp_c	C12H25N2O10P1	smiles	inchi
dd2coa_c	C33H56N7O17P3S1	smiles	inchi
butso3_c	C4H10O3S1	smiles	inchi
ddca_c	C12H24O2	smiles	inchi
fruur_c	C6H10O7	smiles	inchi
bwco_c	C20H24N10O13P2S4W1	smiles	inchi
fuc__L_c	C6H12O5	smiles	inchi
fum_c	C4H4O4	smiles	inchi
bwco1gdp_c	C30H36N15O20P3S4W1	smiles	inchi
ddcacoa_c	C33H58N7O17P3S1	smiles	inchi
g1p_c	C6H13O9P1	smiles	inchi
bwcogdp_c	C40H48N20O27P4S4W1	smiles	inchi
g3p_c	C3H7O6P1	smiles	inchi
ddcap_c	C12H25O5P1	smiles	inchi
ca2_c	Ca	smiles	inchi
dgdp_c	C10H15N5O10P2	smiles	inchi
g3pc_c	C8H20NO6P	smiles	inchi
camp_c	C10H12N5O6P1	smiles	inchi
g3pe_c	C5H14NO6P	smiles	inchi
dgmp_c	C10H14N5O7P1	smiles	inchi
cbasp_c	C5H8N2O5	smiles	inchi
dgslnt_c	C20H32N6O12S2Se1	smiles	inchi
g3pg_c	C6H15O8P1	smiles	inchi
cbi_c	C48H72CoN11O8	smiles	inchi
g3pi_c	C9H19O11P1	smiles	inchi
dgsn_c	C10H13N5O4	smiles	inchi
cbl1_c	C62H89Co1N13O14P1	smiles	inchi
dgtp_c	C10H16N5O13P3	smiles	inchi
g3ps_c	C6H14N1O8P1	smiles	inchi
cbm_c	C1H3N1O2	smiles	inchi
g6p_c	C6H13O9P1	smiles	inchi
dha_c	C3H6O3	smiles	inchi
cbp_c	C1H4N1O5P1	smiles	inchi
dhap_c	C3H7O6P1	smiles	inchi
cd2_c	Cd	smiles	inchi
dhcinnm_c	C9H8O4	smiles	inchi
gagicolipa_c	C157H282N2O84P4	smiles	inchi
gal_c	C6H12O6	smiles	inchi
dhf_c	C19H21N7O6	smiles	inchi
gal1p_c	C6H13O9P1	smiles	inchi
galct__D_c	C6H10O8	smiles	inchi
dhgly_c	C2H3N1O2	smiles	inchi
cdg_c	C7H6N4O3	smiles	inchi
dhmpt_c	C9H13N5O4	smiles	inchi
galctn__D_c	C6H12O7	smiles	inchi
cdp_c	C9H15N3O11P2	smiles	inchi
galctn__L_c	C6H12O7	smiles	inchi
dhmptp_c	C9H16N5O13P3	smiles	inchi
cdpdddecg_c	C36H65N3O15P2	smiles	inchi
dhna_c	C11H8O4	smiles	inchi
galt1p_c	C6H15O9P1	smiles	inchi
cdpdhdec9eg_c	C44H77N3O15P2	smiles	inchi
galur_c	C6H10O7	smiles	inchi
dhnpt_c	C9H13N5O4	smiles	inchi
cdpdhdecg_c	C44H81N3O15P2	smiles	inchi
dhor__S_c	C5H6N2O4	smiles	inchi
gam1p_c	C6H14N1O8P1	smiles	inchi
cdpdodec11eg_c	C48H85N3O15P2	smiles	inchi
gam6p_c	C6H14N1O8P1	smiles	inchi
dhpmp_c	C9H14N5O7P1	smiles	inchi
cdpdodecg_c	C48H89N3O15P2	smiles	inchi
dhpppn_c	C9H10O4	smiles	inchi
gar_c	C7H15N2O8P1	smiles	inchi
cdpdtdec7eg_c	C40H69N3O15P2	smiles	inchi
garagund_c	C77H127N1O22P2	smiles	inchi
dhpt_c	C14H14N6O3	smiles	inchi
gbbtn_c	C7H15NO2	smiles	inchi
cdpdtdecg_c	C40H73N3O15P2	smiles	inchi
gcald_c	C2H4O2	smiles	inchi
dhptd_c	C5H8O4	smiles	inchi
cechddd_c	C9H12O4	smiles	inchi
dhptdn_c	C6H6N4	smiles	inchi
gdp_c	C10H15N5O11P2	smiles	inchi
cenchddd_c	C9H10O4	smiles	inchi
gdpddman_c	C16H23N5O15P2	smiles	inchi
didp_c	C10H14N4O10P2	smiles	inchi
cgly_c	C5H10N2O3S	smiles	inchi
dimp_c	C10H13N4O7P1	smiles	inchi
gdpfuc_c	C16H25N5O15P2	smiles	inchi
chol_c	C5H13N1O1	smiles	inchi
gdpmann_c	C16H25N5O16P2	smiles	inchi
din_c	C10H12N4O4	smiles	inchi
chor_c	C10H10O6	smiles	inchi
gdpofuc_c	C16H23N5O15P2	smiles	inchi
chtbs6p_c	C16H29N2O14P1	smiles	inchi
gdptp_c	C10H18N5O20P5	smiles	inchi
ditp_c	C10H15N4O13P3	smiles	inchi
cinnm_c	C9H8O2	smiles	inchi
dmbzid_c	C9H10N2	smiles	inchi
gfgaragund_c	C83H137N1O27P2	smiles	inchi
gg4abut_c	C9H16O5N2	smiles	inchi
ggagicolipa_c	C163H292N2O89P4	smiles	inchi
dmlz_c	C13H18N4O6	smiles	inchi
dmpp_c	C5H12O7P2	smiles	inchi
cit_c	C6H8O7	smiles	inchi
dms_c	C2H6S	smiles	inchi
ggbutal_c	C9H16O4N2	smiles	inchi
gggagicolipa_c	C169H302N2O94P4	smiles	inchi
citr__L_c	C6H13N3O3	smiles	inchi
ggptrc_c	C9H19O3N3	smiles	inchi
dmso_c	C2H6OS	smiles	inchi
ckdo_c	C17H26N3O15P1	smiles	inchi
dnad_c	C21H26N6O15P2	smiles	inchi
ghb_c	C4H8O3	smiles	inchi
cl_c	Cl	smiles	inchi
gicolipa_c	C151H272N2O79P4	smiles	inchi
dpcoa_c	C21H35N7O13P2S1	smiles	inchi
cmp_c	C9H14N3O8P1	smiles	inchi
glc__D_c	C6H12O6	smiles	inchi
co2_c	CO2	smiles	inchi
glcn_c	C6H12O7	smiles	inchi
coa_c	C21H36N7O16P3S1	smiles	inchi
dscl_c	C42H48N4O16	smiles	inchi
glcr_c	C6H10O8	smiles	inchi
cobalt2_c	Co	smiles	inchi
glcur_c	C6H10O7	smiles	inchi
dtbt_c	C10H18N2O3	smiles	inchi
colipa_c	C176H314N2O100P4	smiles	inchi
dtdp_c	C10H16N2O11P2	smiles	inchi
gln__L_c	C5H10N2O3	smiles	inchi
cpe160_c	C39H74N1O8P1	smiles	inchi
dtdp4aaddg_c	C18H29N3O15P2	smiles	inchi
dtdp4addg_c	C16H27N3O14P2	smiles	inchi
cpe180_c	C43H82N1O8P1	smiles	inchi
dtdp4d6dg_c	C16H24N2O15P2	smiles	inchi
glu__D_c	C5H9N1O4	smiles	inchi
glu__L_c	C5H9N1O4	smiles	inchi
cpg160_c	C40H75O10P1	smiles	inchi
glu1sa_c	C5H9NO3	smiles	inchi
dtdp4d6dm_c	C16H24N2O15P2	smiles	inchi
cpg180_c	C44H83O10P1	smiles	inchi
dtdpglu_c	C16H26N2O16P2	smiles	inchi
glu5p_c	C5H10N1O7P1	smiles	inchi
cpgn_c	C35H53N6O13Fe1	smiles	inchi
glu5sa_c	C5H9NO3	smiles	inchi
dtdprmn_c	C16H26N2O15P2	smiles	inchi
cpgn_un_c	C35H56N6O13	smiles	inchi
dtmp_c	C10H15N2O8P1	smiles	inchi
glucys_c	C8H14N2O5S1	smiles	inchi
cph4_c	C7H9N5O3	smiles	inchi
dttp_c	C10H17N2O14P3	smiles	inchi
cpmp_c	C10H14N5O8P1	smiles	inchi
dudp_c	C9H14N2O11P2	smiles	inchi
glx_c	C2H2O3	smiles	inchi
gly_c	C2H5NO2	smiles	inchi
cpppg3_c	C36H44N4O8	smiles	inchi
glyald_c	C3H6O3	smiles	inchi
dump_c	C9H13N2O8P1	smiles	inchi
crn_c	C7H15NO3	smiles	inchi
duri_c	C9H12N2O5	smiles	inchi
glyb_c	C5H11NO2	smiles	inchi
glyc2p_c	C3H9O6P1	smiles	inchi
glyc_c	C3H8O3	smiles	inchi
glyc__R_c	C3H6O4	smiles	inchi
dutp_c	C9H15N2O14P3	smiles	inchi
dxyl_c	C5H10O4	smiles	inchi
dxyl5p_c	C5H11O7P1	smiles	inchi
glyc3p_c	C3H9O6P1	smiles	inchi
e4p_c	C4H9O7P1	smiles	inchi
glyclt_c	C2H4O3	smiles	inchi
glycogen_c	C6H10O5	smiles	inchi
eig3p_c	C6H11N2O6P1	smiles	inchi
enter_c	C30H27N3O15	smiles	inchi
lcts_c	C12H22O11	smiles	inchi
leu__L_c	C6H13NO2	smiles	inchi
etha_c	C2H7N1O1	smiles	inchi
gmhep17bp_c	C7H16O13P2	smiles	inchi
gmhep1p_c	C7H15O10P1	smiles	inchi
lgt__S_c	C13H21N3O8S1	smiles	inchi
gmhep7p_c	C7H15O10P1	smiles	inchi
lipa_c	C110H202N2O39P2	smiles	inchi
gmp_c	C10H14N5O8P1	smiles	inchi
lipa_cold_c	C114H208N2O39P2	smiles	inchi
gp4g_c	C20H28N10O21P4	smiles	inchi
lipidA_c	C68H130N2O23P2	smiles	inchi
lipidAds_c	C68H129N2O20P1	smiles	inchi
grdp_c	C10H20O7P2	smiles	inchi
lipidX_c	C34H66N1O12P1	smiles	inchi
lipoamp_c	C18H26N5O8P1S2	smiles	inchi
ocdcap_c	C18H37O5P1	smiles	inchi
ocdcea_c	C18H34O2	smiles	inchi
ocdceap_c	C18H35O5P1	smiles	inchi
octa_c	C8H16O2	smiles	inchi
lipoate_c	C8H14O2S2	smiles	inchi
lipopb_c	C8H12O1S2	smiles	inchi
lys__L_c	C6H14N2O2	smiles	inchi
gslnt_c	C10H17N3O6S1Se1	smiles	inchi
lyx__L_c	C5H10O5	smiles	inchi
octapb_c	C8H14O1	smiles	inchi
octdp_c	C40H68O7P2	smiles	inchi
gsn_c	C10H13N5O5	smiles	inchi
mal__D_c	C4H6O5	smiles	inchi
gthox_c	C20H32N6O12S2	smiles	inchi
mal__L_c	C4H6O5	smiles	inchi
od2coa_c	C39H68N7O17P3S1	smiles	inchi
gthrd_c	C10H17N3O6S1	smiles	inchi
odecoa_c	C39H68N7O17P3S1	smiles	inchi
gtp_c	C10H16N5O14P3	smiles	inchi
malcoa_c	C24H38N7O19P3S1	smiles	inchi
gtspmd_c	C17H34N6O5S1	smiles	inchi
ohpb_c	C4H7O8P1	smiles	inchi
malcoame_c	C25H40N7O19P3S1	smiles	inchi
gua_c	C5H5N5O	smiles	inchi
malt_c	C12H22O11	smiles	inchi
malt6p_c	C12H23O14P1	smiles	inchi
op4en_c	C5H6O3	smiles	inchi
h_c	H0	smiles	inchi
malthp_c	C42H72O36	smiles	inchi
h2_c	H2	smiles	inchi
malthx_c	C36H62O31	smiles	inchi
orn_c	C5H12N2O2	smiles	inchi
orot_c	C5H4N2O4	smiles	inchi
maltpt_c	C30H52O26	smiles	inchi
h2mb4p_c	C5H12O8P2	smiles	inchi
orot5p_c	C10H13N2O11P1	smiles	inchi
h2o_c	H2O	smiles	inchi
oxa_c	C2O4	smiles	inchi
malttr_c	C18H32O16	smiles	inchi
maltttr_c	C24H42O21	smiles	inchi
h2o2_c	H2O2	smiles	inchi
man_c	C6H12O6	smiles	inchi
oxadpcoa_c	C27H42N7O20P3S1	smiles	inchi
h2s_c	H2S	smiles	inchi
man1p_c	C6H13O9P1	smiles	inchi
hco3_c	C1H2O3	smiles	inchi
man6p_c	C6H13O9P1	smiles	inchi
oxalcoa_c	C23H36N7O19P3S1	smiles	inchi
hcys__L_c	C4H9NO2S	smiles	inchi
oxam_c	C2H3N1O3	smiles	inchi
man6pglyc_c	C9H17O12P1	smiles	inchi
hdca_c	C16H32O2	smiles	inchi
mana_c	C6H12O7	smiles	inchi
mdhdhf_c	C5H8O4	smiles	inchi
oxur_c	C3H4N2O4	smiles	inchi
hdcap_c	C16H33O5P1	smiles	inchi
pa120_c	C27H53O8P1	smiles	inchi
melib_c	C12H22O11	smiles	inchi
hdcea_c	C16H30O2	smiles	inchi
meoh_c	CH4O1	smiles	inchi
pa140_c	C31H61O8P1	smiles	inchi
hdceap_c	C16H31O5P1	smiles	inchi
pa141_c	C31H57O8P1	smiles	inchi
mercppyr_c	C3H4O3S1	smiles	inchi
pa160_c	C35H69O8P1	smiles	inchi
hdcoa_c	C37H64N7O17P3S1	smiles	inchi
pa161_c	C35H65O8P1	smiles	inchi
met__D_c	C5H10NO2S	smiles	inchi
hdd2coa_c	C37H64N7O17P3S1	smiles	inchi
met__L_c	C5H11NO2S	smiles	inchi
methf_c	C20H21N7O6	smiles	inchi
pa180_c	C39H77O8P1	smiles	inchi
pa181_c	C39H73O8P1	smiles	inchi
metsox_R__L_c	C5H11NO3S	smiles	inchi
pac_c	C8H8O2	smiles	inchi
hemeO_c	C49H58Fe1N4O5	smiles	inchi
pacald_c	C8H8O	smiles	inchi
metsox_S__L_c	C5H11NO3S	smiles	inchi
mg2_c	Mg	smiles	inchi
hg2_c	Hg	smiles	inchi
pan4p_c	C11H23N2O7P1S1	smiles	inchi
mi1p__D_c	C6H13O9P1	smiles	inchi
micit_c	C7H10O7	smiles	inchi
pant__R_c	C6H12O4	smiles	inchi
hhlipa_c	C124H226N2O51P2	smiles	inchi
pap_c	C10H15N5O10P2	smiles	inchi
mlthf_c	C20H23N7O6	smiles	inchi
his__L_c	C6H9N3O2	smiles	inchi
mmcoa__S_c	C25H40N7O19P3S1	smiles	inchi
paps_c	C10H15N5O13P2S1	smiles	inchi
hisp_c	C6H12N3O4P1	smiles	inchi
pdx5p_c	C8H12N1O6P1	smiles	inchi
mmet_c	C6H13N1O2S1	smiles	inchi
mn2_c	Mn	smiles	inchi
histd_c	C6H11N3O1	smiles	inchi
mnl1p_c	C6H15O9P1	smiles	inchi
pe120_c	C29H58N1O8P1	smiles	inchi
pe140_c	C33H66N1O8P1	smiles	inchi
pe141_c	C33H62N1O8P1	smiles	inchi
pe160_c	C37H74N1O8P1	smiles	inchi
pe161_c	C37H70N1O8P1	smiles	inchi
hkndd_c	C9H10O6	smiles	inchi
pe180_c	C41H82N1O8P1	smiles	inchi
mobd_c	MoO4	smiles	inchi
hkntd_c	C9H8O6	smiles	inchi
moco_c	C10H12N5O8P1S2Mo1	smiles	inchi
pe181_c	C41H78N1O8P1	smiles	inchi
hlipa_c	C117H214N2O45P2	smiles	inchi
pep_c	C3H5O6P1	smiles	inchi
mococdp_c	C19H24N8O15P2S2Mo1	smiles	inchi
mocogdp_c	C20H24N10O15P2S2Mo1	smiles	inchi
hmbil_c	C40H46N4O17	smiles	inchi
mpt_c	C10H12N5O6P1S2Cu1	smiles	inchi
pg120_c	C30H59O10P1	smiles	inchi
hmgth_c	C11H19N3O7S1	smiles	inchi
pg140_c	C34H67O10P1	smiles	inchi
mptamp_c	C20H24N10O12P2S2Cu1	smiles	inchi
hom__L_c	C4H9NO3	smiles	inchi
mql8_c	C51H74O2	smiles	inchi
pg141_c	C34H63O10P1	smiles	inchi
hphhlipa_c	C131H239N2O60P3	smiles	inchi
pg160_c	C38H75O10P1	smiles	inchi
mqn8_c	C51H72O2	smiles	inchi
pg161_c	C38H71O10P1	smiles	inchi
pg180_c	C42H83O10P1	smiles	inchi
msa_c	C3H4O3	smiles	inchi
mso3_c	C1H4O3S1	smiles	inchi
hpyr_c	C3H4O4	smiles	inchi
mthgxl_c	C3H4O2	smiles	inchi
pg181_c	C42H79O10P1	smiles	inchi
hqn_c	C6H6O2	smiles	inchi
pgp120_c	C30H60O13P2	smiles	inchi
mththf_c	C5H10O5	smiles	inchi
hx2coa_c	C27H44N7O17P3S1	smiles	inchi
pgp140_c	C34H68O13P2	smiles	inchi
hxa_c	C6H12O2	smiles	inchi
n2o_c	N2O	smiles	inchi
hxan_c	C5H4N4O	smiles	inchi
n8aspmd_c	C9H21N3O1	smiles	inchi
na1_c	Na	smiles	inchi
pgp141_c	C34H64O13P2	smiles	inchi
hxcoa_c	C27H46N7O17P3S1	smiles	inchi
pgp160_c	C38H76O13P2	smiles	inchi
pgp161_c	C38H72O13P2	smiles	inchi
na15dap_c	C8H21N3	smiles	inchi
iasp_c	C4H5N1O4	smiles	inchi
nac_c	C6H5N1O2	smiles	inchi
pgp180_c	C42H84O13P2	smiles	inchi
ichor_c	C10H10O6	smiles	inchi
pgp181_c	C42H80O13P2	smiles	inchi
nad_c	C21H27N7O14P2	smiles	inchi
icit_c	C6H8O7	smiles	inchi
nadh_c	C21H29N7O14P2	smiles	inchi
phaccoa_c	C29H42N7O17P3S1	smiles	inchi
icolipa_c	C145H262N2O74P4	smiles	inchi
phe__L_c	C9H11NO2	smiles	inchi
nadp_c	C21H28N7O17P3	smiles	inchi
nadph_c	C21H30N7O17P3	smiles	inchi
idon__L_c	C6H12O7	smiles	inchi
ncam_c	C6H6N2O	smiles	inchi
pheme_c	C34H32Fe1N4O4	smiles	inchi
idp_c	C10H14N4O11P2	smiles	inchi
phhlipa_c	C124H227N2O54P3	smiles	inchi
nh4_c	H3N1	smiles	inchi
ile__L_c	C6H13NO2	smiles	inchi
ni2_c	Ni	smiles	inchi
phom_c	C4H10N1O6P1	smiles	inchi
phphhlipa_c	C131H240N2O63P4	smiles	inchi
nicrnt_c	C11H14N1O9P1	smiles	inchi
imacp_c	C6H9N2O5P1	smiles	inchi
nmn_c	C11H15N2O8P1	smiles	inchi
phpyr_c	C9H8O3	smiles	inchi
imp_c	C10H13N4O8P1	smiles	inchi
phthr_c	C4H10N1O7P1	smiles	inchi
no_c	NO	smiles	inchi
indole_c	C8H7N	smiles	inchi
no2_c	NO2	smiles	inchi
no3_c	NO3	smiles	inchi
pi_c	H3O4P1	smiles	inchi
inost_c	C6H12O6	smiles	inchi
o16aund_c	C89H147N1O32P2	smiles	inchi
ins_c	C10H12N4O5	smiles	inchi
pmtcoa_c	C37H66N7O17P3S1	smiles	inchi
pnto__R_c	C9H17N1O5	smiles	inchi
o2_c	O2	smiles	inchi
ipdp_c	C5H12O7P2	smiles	inchi
o2s_c	O2	smiles	inchi
poaac_c	C3H5NO3	smiles	inchi
ppa_c	C3H6O2	smiles	inchi
oaa_c	C4H4O5	smiles	inchi
oc2coa_c	C29H48N7O17P3S1	smiles	inchi
ppal_c	C3H6O	smiles	inchi
ppap_c	C3H7O5P1	smiles	inchi
occoa_c	C29H50N7O17P3S1	smiles	inchi
ppbng_c	C10H14N2O4	smiles	inchi
ppcoa_c	C24H40N7O17P3S1	smiles	inchi
ocdca_c	C18H36O2	smiles	inchi
ppgpp_c	C10H17N5O17P4	smiles	inchi
pphn_c	C10H10O6	smiles	inchi
isetac_c	C2H6O4S1	smiles	inchi
ppi_c	H4O7P2	smiles	inchi
itp_c	C10H15N4O14P3	smiles	inchi
ppp9_c	C34H34N4O4	smiles	inchi
pro__L_c	C5H9NO2	smiles	inchi
pppg9_c	C34H40N4O4	smiles	inchi
k_c	K	smiles	inchi
pppi_c	H5O10P3	smiles	inchi
progly_c	C7H12N2O3	smiles	inchi
kdo_c	C8H14O8	smiles	inchi
pppn_c	C9H10O2	smiles	inchi
kdo2lipid4_c	C84H154N2O37P2	smiles	inchi
pram_c	C5H12N1O7P1	smiles	inchi
prpp_c	C5H13O14P3	smiles	inchi
ps120_c	C30H58N1O10P1	smiles	inchi
kdo2lipid4L_c	C96H176N2O38P2	smiles	inchi
ps140_c	C34H66N1O10P1	smiles	inchi
pran_c	C12H16N1O9P1	smiles	inchi
kdo2lipid4p_c	C100H182N2O38P2	smiles	inchi
prbamp_c	C15H23N5O14P2	smiles	inchi
ps141_c	C34H62N1O10P1	smiles	inchi
kdo8p_c	C8H15O11P1	smiles	inchi
ps160_c	C38H74N1O10P1	smiles	inchi
prbatp_c	C15H25N5O20P4	smiles	inchi
kdolipid4_c	C76H142N2O30P2	smiles	inchi
preq0_c	C7H5N5O	smiles	inchi
ps161_c	C38H70N1O10P1	smiles	inchi
kphphhlipa_c	C139H252N2O70P4	smiles	inchi
ps180_c	C42H82N1O10P1	smiles	inchi
preq1_c	C7H9N5O1	smiles	inchi
lac__D_c	C3H6O3	smiles	inchi
prfp_c	C15H25N5O15P2	smiles	inchi
ps181_c	C42H78N1O10P1	smiles	inchi
lac__L_c	C3H6O3	smiles	inchi
psclys_c	C12H24N2O7	smiles	inchi
prlp_c	C15H25N5O15P2	smiles	inchi
pser__L_c	C3H8N1O6P1	smiles	inchi
lald__D_c	C3H6O2	smiles	inchi
ptrc_c	C4H12N2	smiles	inchi
lald__L_c	C3H6O2	smiles	inchi
pyam5p_c	C8H13N2O5P1	smiles	inchi
ura_c	C4H4N2O2	smiles	inchi
pydam_c	C8H12N2O2	smiles	inchi
pydx_c	C8H9NO3	smiles	inchi
pydx5p_c	C8H10N1O6P1	smiles	inchi
taur_c	C2H7NO3S	smiles	inchi
tcynt_c	CNS	smiles	inchi
td2coa_c	C35H60N7O17P3S1	smiles	inchi
tdcoa_c	C35H62N7O17P3S1	smiles	inchi
uracp_c	C4H6N2O4	smiles	inchi
pydxn_c	C8H11NO3	smiles	inchi
pyr_c	C3H4O3	smiles	inchi
urate_c	C5H4N4O3	smiles	inchi
q8_c	C49H74O4	smiles	inchi
urdglyc_c	C3H6N2O4	smiles	inchi
q8h2_c	C49H76O4	smiles	inchi
tdecoa_c	C35H60N7O17P3S1	smiles	inchi
urea_c	CH4N2O	smiles	inchi
thdp_c	C7H9N1O4	smiles	inchi
quin_c	C7H12O6	smiles	inchi
uri_c	C9H12N2O6	smiles	inchi
quln_c	C7H5N1O4	smiles	inchi
r15bp_c	C5H12O11P2	smiles	inchi
utp_c	C9H15N2O15P3	smiles	inchi
thf_c	C19H23N7O6	smiles	inchi
r1p_c	C5H11O8P1	smiles	inchi
val__L_c	C5H11NO2	smiles	inchi
r5p_c	C5H11O8P1	smiles	inchi
thm_c	C12H16N4O1S1	smiles	inchi
thmmp_c	C12H17N4O4P1S1	smiles	inchi
ragund_c	C69H115N1O16P2	smiles	inchi
rbflvrd_c	C17H22N4O6	smiles	inchi
thmnp_c	C9H15N5O4	smiles	inchi
thmpp_c	C12H18N4O7P2S1	smiles	inchi
rbl__L_c	C5H10O5	smiles	inchi
wco_c	C10H12N5O8P1S2W1	smiles	inchi
rdmbzi_c	C14H18N2O4	smiles	inchi
thptdn_c	C6H8N4	smiles	inchi
xan_c	C5H4N4O2	smiles	inchi
thr__L_c	C4H9NO3	smiles	inchi
rephaccoa_c	C29H42N7O18P3S1	smiles	inchi
xdp_c	C10H14N4O12P2	smiles	inchi
rhcys_c	C9H17NO6S	smiles	inchi
rib__D_c	C5H10O5	smiles	inchi
xmp_c	C10H13N4O9P1	smiles	inchi
xtp_c	C10H15N4O15P3	smiles	inchi
ribflv_c	C17H20N4O6	smiles	inchi
xtsn_c	C10H12N4O6	smiles	inchi
rml_c	C6H12O5	smiles	inchi
thym_c	C5H6N2O2	smiles	inchi
xu5p__D_c	C5H11O8P1	smiles	inchi
thymd_c	C10H14N2O5	smiles	inchi
rml1p_c	C6H13O8P1	smiles	inchi
xu5p__L_c	C5H11O8P1	smiles	inchi
rmn_c	C6H12O5	smiles	inchi
tma_c	C3H9N1	smiles	inchi
xyl__D_c	C5H10O5	smiles	inchi
tmao_c	C3H9NO	smiles	inchi
ru5p__D_c	C5H11O8P1	smiles	inchi
xylu__D_c	C5H10O5	smiles	inchi
ru5p__L_c	C5H11O8P1	smiles	inchi
s17bp_c	C7H16O13P2	smiles	inchi
xylu__L_c	C5H10O5	smiles	inchi
s7p_c	C7H15O10P1	smiles	inchi
zn2_c	Zn	smiles	inchi
sarcs_c	C3H7NO2	smiles	inchi
12ppd__R_e	C3H8O2	smiles	inchi
sbt6p_c	C6H15O9P1	smiles	inchi
sbzcoa_c	C32H44N7O20P3S1	smiles	inchi
12ppd__S_e	C3H8O2	smiles	inchi
scl_c	C42H46N4O16	smiles	inchi
14glucan_e	C36H62O31	smiles	inchi
tre_c	C12H22O11	smiles	inchi
15dap_e	C5H14N2	smiles	inchi
sel_c	O4Se	smiles	inchi
tre6p_c	C12H23O14P1	smiles	inchi
23camp_e	C10H12N5O6P1	smiles	inchi
seln_c	H2Se1	smiles	inchi
23ccmp_e	C9H12N3O7P1	smiles	inchi
selnp_c	H3O3P1Se1	smiles	inchi
23cgmp_e	C10H12N5O7P1	smiles	inchi
ser__D_c	C3H7NO3	smiles	inchi
23cump_e	C9H11N2O8P1	smiles	inchi
ser__L_c	C3H7NO3	smiles	inchi
23dappa_e	C3H8N2O2	smiles	inchi
seramp_c	C13H19N6O9P	smiles	inchi
26dap__M_e	C7H14N2O4	smiles	inchi
2ddglcn_e	C6H10O6	smiles	inchi
sheme_c	C42H44Fe1N4O16	smiles	inchi
34dhpac_e	C8H8O3	smiles	inchi
skm_c	C7H10O5	smiles	inchi
3amp_e	C10H14N5O7P1	smiles	inchi
skm5p_c	C7H11O8P1	smiles	inchi
sl26da_c	C11H18N2O7	smiles	inchi
3cmp_e	C9H14N3O8P1	smiles	inchi
sl2a6o_c	C11H15N1O8	smiles	inchi
3gmp_e	C10H14N5O8P1	smiles	inchi
slnt_c	O3Se	smiles	inchi
3hcinnm_e	C9H8O3	smiles	inchi
so2_c	O2S	smiles	inchi
so3_c	O3S	smiles	inchi
3hpp_e	C3H6O3	smiles	inchi
so4_c	O4S	smiles	inchi
3hpppn_e	C9H10O3	smiles	inchi
spmd_c	C7H19N3	smiles	inchi
3ump_e	C9H13N2O9P1	smiles	inchi
stcoa_c	C39H70N7O17P3S1	smiles	inchi
suc6p_c	C12H23O14P1	smiles	inchi
4abut_e	C4H9NO2	smiles	inchi
sucarg_c	C10H18N4O5	smiles	inchi
4hoxpacd_e	C8H8O2	smiles	inchi
sucbz_c	C11H10O5	smiles	inchi
5dglcn_e	C6H10O7	smiles	inchi
trp__L_c	C11H12N2O2	smiles	inchi
succ_c	C4H6O4	smiles	inchi
succoa_c	C25H40N7O19P3S1	smiles	inchi
sucglu_c	C9H13N1O7	smiles	inchi
5mtr_e	C6H12O4S	smiles	inchi
sucgsa_c	C9H13N1O6	smiles	inchi
suchms_c	C8H13N1O6	smiles	inchi
tsul_c	O3S2	smiles	inchi
LalaDglu_e	C8H14N2O5	smiles	inchi
ttdca_c	C14H28O2	smiles	inchi
ttdcap_c	C14H29O5P1	smiles	inchi
sucorn_c	C9H16N2O5	smiles	inchi
LalaDgluMdap_e	C15H26N4O8	smiles	inchi
sucsal_c	C4H6O3	smiles	inchi
ttdcea_c	C14H26O2	smiles	inchi
LalaDgluMdapDala_e	C18H31N5O9	smiles	inchi
ttdceap_c	C14H27O5P1	smiles	inchi
LalaLglu_e	C8H14N2O5	smiles	inchi
tungs_c	O4W1	smiles	inchi
tyr__L_c	C9H11NO3	smiles	inchi
ac_e	C2H4O2	smiles	inchi
acac_e	C4H6O3	smiles	inchi
u23ga_c	C43H77N3O20P2	smiles	inchi
acald_e	C2H4O	smiles	inchi
u3aga_c	C31H53N3O19P2	smiles	inchi
sulfac_c	C2H4O5S1	smiles	inchi
acgal_e	C8H15NO6	smiles	inchi
u3hga_c	C29H51N3O18P2	smiles	inchi
acgal1p_e	C8H16N1O9P1	smiles	inchi
uLa4fn_c	C61H100N1O8P1	smiles	inchi
acgam_e	C8H15NO6	smiles	inchi
uLa4n_c	C60H100N1O7P1	smiles	inchi
acgam1p_e	C8H16N1O9P1	smiles	inchi
uaagmda_c	C95H156N8O28P2	smiles	inchi
acmana_e	C8H15NO6	smiles	inchi
tag6p__D_c	C6H13O9P1	smiles	inchi
uaccg_c	C20H29N3O19P2	smiles	inchi
acmum_e	C11H19N1O8	smiles	inchi
uacgam_c	C17H27N3O17P2	smiles	inchi
uacmam_c	C17H27N3O17P2	smiles	inchi
tagdp__D_c	C6H14O12P2	smiles	inchi
tagur_c	C6H10O7	smiles	inchi
acnam_e	C11H19N1O9	smiles	inchi
tartr__D_c	C4H6O6	smiles	inchi
uacmamu_c	C17H25N3O18P2	smiles	inchi
acolipa_e	C181H323N3O103P4	smiles	inchi
uagmda_c	C87H143N7O23P2	smiles	inchi
tartr__L_c	C4H6O6	smiles	inchi
acser_e	C5H9NO4	smiles	inchi
uama_c	C23H36N4O20P2	smiles	inchi
ade_e	C5H5N5	smiles	inchi
adn_e	C10H13N5O4	smiles	inchi
adocbl_e	C72H100CoN18O17P	smiles	inchi
uamag_c	C28H43N5O23P2	smiles	inchi
ag_e	Ag	smiles	inchi
uamr_c	C20H31N3O19P2	smiles	inchi
agm_e	C5H14N4	smiles	inchi
udcpdp_c	C55H92O7P2	smiles	inchi
akg_e	C5H6O5	smiles	inchi
udcpp_c	C55H91O4P1	smiles	inchi
ala_B_e	C3H7NO2	smiles	inchi
udp_c	C9H14N2O12P2	smiles	inchi
ala__D_e	C3H7NO2	smiles	inchi
udpLa4fn_c	C15H23N3O16P2	smiles	inchi
chtbs_e	C16H28N2O11	smiles	inchi
ala__L_e	C3H7NO2	smiles	inchi
udpLa4n_c	C14H23N3O15P2	smiles	inchi
alaala_e	C6H12N2O3	smiles	inchi
udpLa4o_c	C14H20N2O16P2	smiles	inchi
cit_e	C6H8O7	smiles	inchi
all__D_e	C6H12O6	smiles	inchi
cl_e	Cl	smiles	inchi
udpg_c	C15H24N2O17P2	smiles	inchi
alltn_e	C4H6N4O3	smiles	inchi
udpgal_c	C15H24N2O17P2	smiles	inchi
cm_e	C11H12Cl2N2O5	smiles	inchi
amp_e	C10H14N5O7P1	smiles	inchi
cmp_e	C9H14N3O8P1	smiles	inchi
udpgalfur_c	C15H24N2O17P2	smiles	inchi
anhgm_e	C19H30N2O12	smiles	inchi
udpglcur_c	C15H22N2O18P2	smiles	inchi
co2_e	CO2	smiles	inchi
arab__L_e	C5H10O5	smiles	inchi
cobalt2_e	Co	smiles	inchi
colipa_e	C176H314N2O100P4	smiles	inchi
ugmd_c	C35H55N7O26P2	smiles	inchi
ugmda_c	C41H65N9O28P2	smiles	inchi
um4p_c	C38H60N8O27P2	smiles	inchi
colipap_e	C176H315N2O103P5	smiles	inchi
arbt_e	C12H16O7	smiles	inchi
cpgn_e	C35H53N6O13Fe1	smiles	inchi
cpgn_un_e	C35H56N6O13	smiles	inchi
ump_c	C9H13N2O9P1	smiles	inchi
arbtn_e	C22H36N4O13	smiles	inchi
unaga_c	C63H105N1O12P2	smiles	inchi
unagamu_c	C71H116N2O18P2	smiles	inchi
crn_e	C7H15NO3	smiles	inchi
arbtn_fe3_e	C22H33FeN4O13	smiles	inchi
crn__D_e	C7H15NO3	smiles	inchi
unagamuf_c	C79H129N3O22P2	smiles	inchi
arg__L_e	C6H14N4O2	smiles	inchi
ascb__L_e	C6H8O6	smiles	inchi
uppg3_c	C40H44N4O16	smiles	inchi
csn_e	C4H5N3O	smiles	inchi
cu_e	Cu	smiles	inchi
asn__L_e	C4H8N2O3	smiles	inchi
aso3_e	AsO3	smiles	inchi
cu2_e	Cu	smiles	inchi
asp__L_e	C4H7N1O4	smiles	inchi
cyan_e	CHN	smiles	inchi
btn_e	C10H16N2O3S1	smiles	inchi
cynt_e	CNO	smiles	inchi
but_e	C4H8O2	smiles	inchi
cys__D_e	C3H7NO2S	smiles	inchi
glyb_e	C5H11NO2	smiles	inchi
butso3_e	C4H10O3S1	smiles	inchi
glyc_e	C3H8O3	smiles	inchi
cys__L_e	C3H7NO2S	smiles	inchi
cytd_e	C9H13N3O5	smiles	inchi
glyc__R_e	C3H6O4	smiles	inchi
ca2_e	Ca	smiles	inchi
glyc2p_e	C3H9O6P1	smiles	inchi
dad_2_e	C10H13N5O3	smiles	inchi
cbi_e	C48H72CoN11O8	smiles	inchi
damp_e	C10H14N5O6P1	smiles	inchi
glyc3p_e	C3H9O6P1	smiles	inchi
cbl1_e	C62H89Co1N13O14P1	smiles	inchi
glyclt_e	C2H4O3	smiles	inchi
dca_e	C10H20O2	smiles	inchi
cd2_e	Cd	smiles	inchi
dcmp_e	C9H14N3O7P1	smiles	inchi
gmp_e	C10H14N5O8P1	smiles	inchi
cgly_e	C5H10N2O3S	smiles	inchi
gsn_e	C10H13N5O5	smiles	inchi
dcyt_e	C9H13N3O4	smiles	inchi
chol_e	C5H13N1O1	smiles	inchi
ddca_e	C12H24O2	smiles	inchi
gthox_e	C20H32N6O12S2	smiles	inchi
ppa_e	C3H6O2	smiles	inchi
gthrd_e	C10H17N3O6S1	smiles	inchi
gtp_e	C10H16N5O14P3	smiles	inchi
gua_e	C5H5N5O	smiles	inchi
dgmp_e	C10H14N5O7P1	smiles	inchi
dgsn_e	C10H13N5O4	smiles	inchi
dha_e	C3H6O3	smiles	inchi
dimp_e	C10H13N4O7P1	smiles	inchi
ppal_e	C3H6O	smiles	inchi
din_e	C10H12N4O4	smiles	inchi
h_e	H0	smiles	inchi
pppn_e	C9H10O2	smiles	inchi
h2_e	H2	smiles	inchi
dms_e	C2H6S	smiles	inchi
ppt_e	H3O3P1	smiles	inchi
dmso_e	C2H6OS	smiles	inchi
h2o_e	H2O	smiles	inchi
h2o2_e	H2O2	smiles	inchi
pro__L_e	C5H9NO2	smiles	inchi
h2s_e	H2S	smiles	inchi
dopa_e	C8H11N1O2	smiles	inchi
progly_e	C7H12N2O3	smiles	inchi
doxrbcn_e	C27H29NO11	smiles	inchi
dtmp_e	C10H15N2O8P1	smiles	inchi
hacolipa_e	C192H344N2O101P4	smiles	inchi
psclys_e	C12H24N2O7	smiles	inchi
halipa_e	C126H232N2O40P2	smiles	inchi
dump_e	C9H13N2O8P1	smiles	inchi
pser__L_e	C3H8N1O6P1	smiles	inchi
duri_e	C9H12N2O5	smiles	inchi
hdca_e	C16H32O2	smiles	inchi
eca4colipa_e	C272H462N14O160P4	smiles	inchi
ptrc_e	C4H12N2	smiles	inchi
hdcea_e	C16H30O2	smiles	inchi
pydam_e	C8H12N2O2	smiles	inchi
hg2_e	Hg	smiles	inchi
enlipa_e	C112H208N3O42P3	smiles	inchi
enter_e	C30H27N3O15	smiles	inchi
pydx_e	C8H9NO3	smiles	inchi
etha_e	C2H7N1O1	smiles	inchi
his__L_e	C6H9N3O2	smiles	inchi
pydxn_e	C8H11NO3	smiles	inchi
hom__L_e	C4H9NO3	smiles	inchi
ethso3_e	C2H6O3S1	smiles	inchi
pyr_e	C3H4O3	smiles	inchi
etoh_e	C2H6O	smiles	inchi
hxa_e	C6H12O2	smiles	inchi
quin_e	C7H12O6	smiles	inchi
hxan_e	C5H4N4O	smiles	inchi
f6p_e	C6H13O9P1	smiles	inchi
r5p_e	C5H11O8P1	smiles	inchi
fald_e	CH2O	smiles	inchi
idon__L_e	C6H12O7	smiles	inchi
rfamp_e	C43H58N4O12	smiles	inchi
ile__L_e	C6H13NO2	smiles	inchi
fe2_e	Fe	smiles	inchi
rib__D_e	C5H10O5	smiles	inchi
fe3_e	Fe	smiles	inchi
fe3dcit_e	C12H13Fe1O14	smiles	inchi
imp_e	C10H13N4O8P1	smiles	inchi
rmn_e	C6H12O5	smiles	inchi
indole_e	C8H7N	smiles	inchi
fe3dhbzs_e	C10H8N1O6Fe1	smiles	inchi
fe3hox_e	C9H18O6N3Fe	smiles	inchi
inost_e	C6H12O6	smiles	inchi
sbt__D_e	C6H14O6	smiles	inchi
ins_e	C10H12N4O5	smiles	inchi
isetac_e	C2H6O4S1	smiles	inchi
fe3hox_un_e	C9H21O6N3	smiles	inchi
fecrm_e	C27H42FeN9O12	smiles	inchi
sel_e	O4Se	smiles	inchi
fecrm_un_e	C27H45N9O12	smiles	inchi
k_e	K	smiles	inchi
ser__D_e	C3H7NO3	smiles	inchi
kdo2lipid4_e	C84H154N2O37P2	smiles	inchi
feenter_e	C30H24Fe1N3O15	smiles	inchi
ser__L_e	C3H7NO3	smiles	inchi
feoxam_e	C25H45Fe1N6O8	smiles	inchi
lac__D_e	C3H6O3	smiles	inchi
feoxam_un_e	C25H48N6O8	smiles	inchi
skm_e	C7H10O5	smiles	inchi
for_e	C1H2O2	smiles	inchi
lac__L_e	C3H6O3	smiles	inchi
slnt_e	O3Se	smiles	inchi
lcts_e	C12H22O11	smiles	inchi
fru_e	C6H12O6	smiles	inchi
so2_e	O2S	smiles	inchi
frulys_e	C12H24N2O7	smiles	inchi
leu__L_e	C6H13NO2	smiles	inchi
so3_e	O3S	smiles	inchi
lipa_e	C110H202N2O39P2	smiles	inchi
fruur_e	C6H10O7	smiles	inchi
so4_e	O4S	smiles	inchi
fuc__L_e	C6H12O5	smiles	inchi
fum_e	C4H4O4	smiles	inchi
lipa_cold_e	C114H208N2O39P2	smiles	inchi
spmd_e	C7H19N3	smiles	inchi
lipoate_e	C8H14O2S2	smiles	inchi
fusa_e	C31H48O5	smiles	inchi
succ_e	C4H6O4	smiles	inchi
g1p_e	C6H13O9P1	smiles	inchi
lys__L_e	C6H14N2O2	smiles	inchi
sucr_e	C12H22O11	smiles	inchi
lyx__L_e	C5H10O5	smiles	inchi
g3pc_e	C8H20NO6P	smiles	inchi
sulfac_e	C2H4O5S1	smiles	inchi
g3pe_e	C5H14NO6P	smiles	inchi
mal__D_e	C4H6O5	smiles	inchi
tartr__D_e	C4H6O6	smiles	inchi
mal__L_e	C4H6O5	smiles	inchi
malt_e	C12H22O11	smiles	inchi
g3pg_e	C6H15O8P1	smiles	inchi
tartr__L_e	C4H6O6	smiles	inchi
g3pi_e	C9H19O11P1	smiles	inchi
g3ps_e	C6H14N1O8P1	smiles	inchi
malthx_e	C36H62O31	smiles	inchi
taur_e	C2H7NO3S	smiles	inchi
maltpt_e	C30H52O26	smiles	inchi
g6p_e	C6H13O9P1	smiles	inchi
tcynt_e	CNS	smiles	inchi
gal_e	C6H12O6	smiles	inchi
thm_e	C12H16N4O1S1	smiles	inchi
gal_bD_e	C6H12O6	smiles	inchi
malttr_e	C18H32O16	smiles	inchi
maltttr_e	C24H42O21	smiles	inchi
thr__L_e	C4H9NO3	smiles	inchi
man_e	C6H12O6	smiles	inchi
gal1p_e	C6H13O9P1	smiles	inchi
thrp_e	C4H10N1O6P1	smiles	inchi
galct__D_e	C6H10O8	smiles	inchi
man6p_e	C6H13O9P1	smiles	inchi
thym_e	C5H6N2O2	smiles	inchi
manglyc_e	C9H16O9	smiles	inchi
galctn__D_e	C6H12O7	smiles	inchi
thymd_e	C10H14N2O5	smiles	inchi
galctn__L_e	C6H12O7	smiles	inchi
galt_e	C6H14O6	smiles	inchi
melib_e	C12H22O11	smiles	inchi
tma_e	C3H9N1	smiles	inchi
meoh_e	CH4O1	smiles	inchi
galur_e	C6H10O7	smiles	inchi
tmao_e	C3H9NO	smiles	inchi
gam_e	C6H13N1O5	smiles	inchi
met__D_e	C5H10NO2S	smiles	inchi
tre_e	C12H22O11	smiles	inchi
met__L_e	C5H11NO2S	smiles	inchi
gam6p_e	C6H14N1O8P1	smiles	inchi
gbbtn_e	C7H15NO2	smiles	inchi
trp__L_e	C11H12N2O2	smiles	inchi
gdp_e	C10H15N5O11P2	smiles	inchi
metsox_R__L_e	C5H11NO3S	smiles	inchi
tsul_e	O3S2	smiles	inchi
metsox_S__L_e	C5H11NO3S	smiles	inchi
glc__D_e	C6H12O6	smiles	inchi
mg2_e	Mg	smiles	inchi
ttdca_e	C14H28O2	smiles	inchi
mincyc_e	C23H27N3O7	smiles	inchi
glcn_e	C6H12O7	smiles	inchi
glcr_e	C6H10O8	smiles	inchi
ttdcea_e	C14H26O2	smiles	inchi
glcur_e	C6H10O7	smiles	inchi
minohp_e	C6H18O24P6	smiles	inchi
ttrcyc_e	C22H24N2O8	smiles	inchi
mmet_e	C6H13N1O2S1	smiles	inchi
glcur1p_e	C6H11O10P1	smiles	inchi
tungs_e	O4W1	smiles	inchi
gln__L_e	C5H10N2O3	smiles	inchi
mn2_e	Mn	smiles	inchi
tym_e	C8H11N1O1	smiles	inchi
mnl_e	C6H14O6	smiles	inchi
glu__L_e	C5H9N1O4	smiles	inchi
tyr__L_e	C9H11NO3	smiles	inchi
gly_e	C2H5NO2	smiles	inchi
mobd_e	MoO4	smiles	inchi
glyald_e	C3H6O3	smiles	inchi
tyrp_e	C9H12N1O6P1	smiles	inchi
mso3_e	C1H4O3S1	smiles	inchi
uacgam_e	C17H27N3O17P2	smiles	inchi
n2o_e	N2O	smiles	inchi
udpacgal_e	C17H27N3O17P2	smiles	inchi
na1_e	Na	smiles	inchi
nac_e	C6H5N1O2	smiles	inchi
nh4_e	H3N1	smiles	inchi
1ddecg3p_p	C15H31O7P1	smiles	inchi
udpg_e	C15H24N2O17P2	smiles	inchi
1hdec9eg3p_p	C19H37O7P1	smiles	inchi
ni2_e	Ni	smiles	inchi
udpgal_e	C15H24N2O17P2	smiles	inchi
nmn_e	C11H15N2O8P1	smiles	inchi
1hdecg3p_p	C19H39O7P1	smiles	inchi
udpglcur_e	C15H22N2O18P2	smiles	inchi
1odec11eg3p_p	C21H41O7P1	smiles	inchi
no_e	NO	smiles	inchi
ump_e	C9H13N2O9P1	smiles	inchi
no2_e	NO2	smiles	inchi
1odecg3p_p	C21H43O7P1	smiles	inchi
ura_e	C4H4N2O2	smiles	inchi
1tdec7eg3p_p	C17H33O7P1	smiles	inchi
no3_e	NO3	smiles	inchi
urea_e	CH4N2O	smiles	inchi
novbcn_e	C31H36N2O11	smiles	inchi
1tdecg3p_p	C17H35O7P1	smiles	inchi
uri_e	C9H12N2O6	smiles	inchi
23camp_p	C10H12N5O6P1	smiles	inchi
o16a4colipa_e	C312H534N6O200P4	smiles	inchi
val__L_e	C5H11NO2	smiles	inchi
o2_e	O2	smiles	inchi
23ccmp_p	C9H12N3O7P1	smiles	inchi
23cgmp_p	C10H12N5O7P1	smiles	inchi
xan_e	C5H4N4O2	smiles	inchi
23cump_p	C9H11N2O8P1	smiles	inchi
o2s_e	O2	smiles	inchi
xmp_e	C10H13N4O9P1	smiles	inchi
ocdca_e	C18H36O2	smiles	inchi
23dappa_p	C3H8N2O2	smiles	inchi
ocdcea_e	C18H34O2	smiles	inchi
xtsn_e	C10H12N4O6	smiles	inchi
octa_e	C8H16O2	smiles	inchi
26dap__M_p	C7H14N2O4	smiles	inchi
xyl__D_e	C5H10O5	smiles	inchi
2agpe120_p	C17H36NO7P1	smiles	inchi
2agpe140_p	C19H40NO7P1	smiles	inchi
orn_e	C5H12N2O2	smiles	inchi
xylu__L_e	C5H10O5	smiles	inchi
orot_e	C5H4N2O4	smiles	inchi
2agpe141_p	C19H38NO7P1	smiles	inchi
zn2_e	Zn	smiles	inchi
2agpe160_p	C21H44NO7P1	smiles	inchi
pacald_e	C8H8O	smiles	inchi
12dgr120_p	C27H52O5	smiles	inchi
peamn_e	C8H11N1	smiles	inchi
2agpe161_p	C21H42NO7P1	smiles	inchi
12dgr140_p	C31H60O5	smiles	inchi
2agpe180_p	C23H48NO7P1	smiles	inchi
phe__L_e	C9H11NO2	smiles	inchi
2agpe181_p	C23H46NO7P1	smiles	inchi
12dgr141_p	C31H56O5	smiles	inchi
2agpg120_p	C18H37O9P1	smiles	inchi
pheme_e	C34H32Fe1N4O4	smiles	inchi
pi_e	H3O4P1	smiles	inchi
12dgr160_p	C35H68O5	smiles	inchi
pnto__R_e	C9H17N1O5	smiles	inchi
2agpg140_p	C20H41O9P1	smiles	inchi
12dgr161_p	C35H64O5	smiles	inchi
2agpg141_p	C20H39O9P1	smiles	inchi
12dgr180_p	C39H76O5	smiles	inchi
2agpg160_p	C22H45O9P1	smiles	inchi
2agpg161_p	C22H43O9P1	smiles	inchi
12dgr181_p	C39H72O5	smiles	inchi
12ppd__R_p	C3H8O2	smiles	inchi
2agpg180_p	C24H49O9P1	smiles	inchi
cbi_p	C48H72CoN11O8	smiles	inchi
12ppd__S_p	C3H8O2	smiles	inchi
cbl1_p	C62H89Co1N13O14P1	smiles	inchi
2agpg181_p	C24H47O9P1	smiles	inchi
2ddecg3p_p	C15H31O7P1	smiles	inchi
14glucan_p	C36H62O31	smiles	inchi
2ddglcn_p	C6H10O6	smiles	inchi
cd2_p	Cd	smiles	inchi
15dap_p	C5H14N2	smiles	inchi
cgly_p	C5H10N2O3S	smiles	inchi
2hdec9eg3p_p	C19H37O7P1	smiles	inchi
1agpe120_p	C17H36NO7P1	smiles	inchi
2hdecg3p_p	C19H39O7P1	smiles	inchi
chol_p	C5H13N1O1	smiles	inchi
1agpe140_p	C19H40NO7P1	smiles	inchi
chtbs_p	C16H28N2O11	smiles	inchi
2odec11eg3p_p	C21H41O7P1	smiles	inchi
1agpe141_p	C19H38NO7P1	smiles	inchi
2odecg3p_p	C21H43O7P1	smiles	inchi
cit_p	C6H8O7	smiles	inchi
1agpe160_p	C21H44NO7P1	smiles	inchi
cl_p	Cl	smiles	inchi
2tdec7eg3p_p	C17H33O7P1	smiles	inchi
1agpe161_p	C21H42NO7P1	smiles	inchi
2tdecg3p_p	C17H35O7P1	smiles	inchi
1agpe180_p	C23H48NO7P1	smiles	inchi
34dhpac_p	C8H8O3	smiles	inchi
3amp_p	C10H14N5O7P1	smiles	inchi
clpn120_p	C57H110O17P2	smiles	inchi
clpn140_p	C65H126O17P2	smiles	inchi
1agpe181_p	C23H46NO7P1	smiles	inchi
clpn141_p	C65H118O17P2	smiles	inchi
3cmp_p	C9H14N3O8P1	smiles	inchi
3gmp_p	C10H14N5O8P1	smiles	inchi
1agpg120_p	C18H37O9P1	smiles	inchi
3hcinnm_p	C9H8O3	smiles	inchi
clpn160_p	C73H142O17P2	smiles	inchi
1agpg140_p	C20H41O9P1	smiles	inchi
clpn161_p	C73H134O17P2	smiles	inchi
3hpp_p	C3H6O3	smiles	inchi
1agpg141_p	C20H39O9P1	smiles	inchi
3hpppn_p	C9H10O3	smiles	inchi
clpn180_p	C81H158O17P2	smiles	inchi
clpn181_p	C81H150O17P2	smiles	inchi
1agpg160_p	C22H45O9P1	smiles	inchi
cm_p	C11H12Cl2N2O5	smiles	inchi
3ump_p	C9H13N2O9P1	smiles	inchi
4abut_p	C4H9NO2	smiles	inchi
1agpg161_p	C22H43O9P1	smiles	inchi
4hoxpacd_p	C8H8O2	smiles	inchi
cmp_p	C9H14N3O8P1	smiles	inchi
1agpg180_p	C24H49O9P1	smiles	inchi
co2_p	CO2	smiles	inchi
5dglcn_p	C6H10O7	smiles	inchi
1agpg181_p	C24H47O9P1	smiles	inchi
5mtr_p	C6H12O4S	smiles	inchi
cobalt2_p	Co	smiles	inchi
g6p_p	C6H13O9P1	smiles	inchi
colipa_p	C176H314N2O100P4	smiles	inchi
colipap_p	C176H315N2O103P5	smiles	inchi
cpgn_p	C35H53N6O13Fe1	smiles	inchi
LalaDglu_p	C8H14N2O5	smiles	inchi
LalaDgluMdap_p	C15H26N4O8	smiles	inchi
LalaDgluMdapDala_p	C18H31N5O9	smiles	inchi
LalaLglu_p	C8H14N2O5	smiles	inchi
gal_p	C6H12O6	smiles	inchi
ac_p	C2H4O2	smiles	inchi
acac_p	C4H6O3	smiles	inchi
cpgn_un_p	C35H56N6O13	smiles	inchi
crn_p	C7H15NO3	smiles	inchi
gal_bD_p	C6H12O6	smiles	inchi
crn__D_p	C7H15NO3	smiles	inchi
acald_p	C2H4O	smiles	inchi
gal1p_p	C6H13O9P1	smiles	inchi
acgal_p	C8H15NO6	smiles	inchi
csn_p	C4H5N3O	smiles	inchi
galct__D_p	C6H10O8	smiles	inchi
acgal1p_p	C8H16N1O9P1	smiles	inchi
galctn__D_p	C6H12O7	smiles	inchi
acgam_p	C8H15NO6	smiles	inchi
ctbt_p	C7H13NO2	smiles	inchi
galctn__L_p	C6H12O7	smiles	inchi
cu_p	Cu	smiles	inchi
acgam1p_p	C8H16N1O9P1	smiles	inchi
galt_p	C6H14O6	smiles	inchi
acmana_p	C8H15NO6	smiles	inchi
cu2_p	Cu	smiles	inchi
galur_p	C6H10O7	smiles	inchi
cyan_p	CHN	smiles	inchi
acmum_p	C11H19N1O8	smiles	inchi
gam_p	C6H13N1O5	smiles	inchi
acnam_p	C11H19N1O9	smiles	inchi
cynt_p	CNO	smiles	inchi
acolipa_p	C181H323N3O103P4	smiles	inchi
gam6p_p	C6H14N1O8P1	smiles	inchi
acser_p	C5H9NO4	smiles	inchi
cys__D_p	C3H7NO2S	smiles	inchi
gbbtn_p	C7H15NO2	smiles	inchi
cys__L_p	C3H7NO2S	smiles	inchi
ade_p	C5H5N5	smiles	inchi
gdp_p	C10H15N5O11P2	smiles	inchi
adn_p	C10H13N5O4	smiles	inchi
cytd_p	C9H13N3O5	smiles	inchi
glc__D_p	C6H12O6	smiles	inchi
dad_2_p	C10H13N5O3	smiles	inchi
adocbl_p	C72H100CoN18O17P	smiles	inchi
glcn_p	C6H12O7	smiles	inchi
agm_p	C5H14N4	smiles	inchi
akg_p	C5H6O5	smiles	inchi
damp_p	C10H14N5O6P1	smiles	inchi
glcr_p	C6H10O8	smiles	inchi
dca_p	C10H20O2	smiles	inchi
ala_B_p	C3H7NO2	smiles	inchi
glcur_p	C6H10O7	smiles	inchi
ala__D_p	C3H7NO2	smiles	inchi
dcmp_p	C9H14N3O7P1	smiles	inchi
glcur1p_p	C6H11O10P1	smiles	inchi
dcyt_p	C9H13N3O4	smiles	inchi
ala__L_p	C3H7NO2	smiles	inchi
ddca_p	C12H24O2	smiles	inchi
alaala_p	C6H12N2O3	smiles	inchi
gln__L_p	C5H10N2O3	smiles	inchi
all__D_p	C6H12O6	smiles	inchi
dgmp_p	C10H14N5O7P1	smiles	inchi
glu__L_p	C5H9N1O4	smiles	inchi
dgsn_p	C10H13N5O4	smiles	inchi
alltn_p	C4H6N4O3	smiles	inchi
gly_p	C2H5NO2	smiles	inchi
dha_p	C3H6O3	smiles	inchi
glyald_p	C3H6O3	smiles	inchi
dimp_p	C10H13N4O7P1	smiles	inchi
amp_p	C10H14N5O7P1	smiles	inchi
glyb_p	C5H11NO2	smiles	inchi
anhgm_p	C19H30N2O12	smiles	inchi
anhgm3p_p	C34H54N6O19	smiles	inchi
din_p	C10H12N4O4	smiles	inchi
dms_p	C2H6S	smiles	inchi
glyc_p	C3H8O3	smiles	inchi
dmso_p	C2H6OS	smiles	inchi
dopa_p	C8H11N1O2	smiles	inchi
anhgm4p_p	C37H59N7O20	smiles	inchi
arab__L_p	C5H10O5	smiles	inchi
glyc__R_p	C3H6O4	smiles	inchi
arbt_p	C12H16O7	smiles	inchi
doxrbcn_p	C27H29NO11	smiles	inchi
glyc2p_p	C3H9O6P1	smiles	inchi
arbtn_p	C22H36N4O13	smiles	inchi
glyc3p_p	C3H9O6P1	smiles	inchi
arbtn_fe3_p	C22H33FeN4O13	smiles	inchi
arg__L_p	C6H14N4O2	smiles	inchi
glyclt_p	C2H4O3	smiles	inchi
ascb__L_p	C6H8O6	smiles	inchi
gmp_p	C10H14N5O8P1	smiles	inchi
asn__L_p	C4H8N2O3	smiles	inchi
gsn_p	C10H13N5O5	smiles	inchi
aso3_p	AsO3	smiles	inchi
gthox_p	C20H32N6O12S2	smiles	inchi
asp__L_p	C4H7N1O4	smiles	inchi
btn_p	C10H16N2O3S1	smiles	inchi
gthrd_p	C10H17N3O6S1	smiles	inchi
but_p	C4H8O2	smiles	inchi
dtmp_p	C10H15N2O8P1	smiles	inchi
gtp_p	C10H16N5O14P3	smiles	inchi
dump_p	C9H13N2O8P1	smiles	inchi
butso3_p	C4H10O3S1	smiles	inchi
gua_p	C5H5N5O	smiles	inchi
ca2_p	Ca	smiles	inchi
duri_p	C9H12N2O5	smiles	inchi
h_p	H0	smiles	inchi
eca2und_p	C103H166N6O37P2	smiles	inchi
eca3und_p	C127H203N9O52P2	smiles	inchi
h2_p	H2	smiles	inchi
eca4colipa_p	C272H462N14O160P4	smiles	inchi
h2o_p	H2O	smiles	inchi
eca4und_p	C151H240N12O67P2	smiles	inchi
h2o2_p	H2O2	smiles	inchi
enlipa_p	C112H208N3O42P3	smiles	inchi
murein4p3p_p	C71H113N13O39	smiles	inchi
h2s_p	H2S	smiles	inchi
murein4p4p_p	C74H118N14O40	smiles	inchi
murein4px4p_p	C74H116N14O39	smiles	inchi
enter_p	C30H27N3O15	smiles	inchi
hdca_p	C16H32O2	smiles	inchi
etha_p	C2H7N1O1	smiles	inchi
murein4px4p4p_p	C111H175N21O59	smiles	inchi
hdcea_p	C16H30O2	smiles	inchi
murein4px4px4p_p	C111H173N21O58	smiles	inchi
ethso3_p	C2H6O3S1	smiles	inchi
etoh_p	C2H6O	smiles	inchi
hg2_p	Hg	smiles	inchi
f6p_p	C6H13O9P1	smiles	inchi
murein5p3p_p	C74H118N14O40	smiles	inchi
his__L_p	C6H9N3O2	smiles	inchi
murein5p4p_p	C77H123N15O41	smiles	inchi
fald_p	CH2O	smiles	inchi
hom__L_p	C4H9NO3	smiles	inchi
fe2_p	Fe	smiles	inchi
murein5p5p_p	C80H128N16O42	smiles	inchi
hxa_p	C6H12O2	smiles	inchi
murein5p5p5p_p	C120H192N24O63	smiles	inchi
fe3_p	Fe	smiles	inchi
hxan_p	C5H4N4O	smiles	inchi
fe3dcit_p	C12H13Fe1O14	smiles	inchi
murein5px3p_p	C74H116N14O39	smiles	inchi
murein5px4p_p	C77H121N15O40	smiles	inchi
idon__L_p	C6H12O7	smiles	inchi
murein5px4px4p_p	C114H178N22O59	smiles	inchi
fe3dhbzs_p	C10H8N1O6Fe1	smiles	inchi
fe3hox_p	C9H18O6N3Fe	smiles	inchi
ile__L_p	C6H13NO2	smiles	inchi
fe3hox_un_p	C9H21O6N3	smiles	inchi
n2o_p	N2O	smiles	inchi
imp_p	C10H13N4O8P1	smiles	inchi
na1_p	Na	smiles	inchi
fecrm_p	C27H42FeN9O12	smiles	inchi
indole_p	C8H7N	smiles	inchi
fecrm_un_p	C27H45N9O12	smiles	inchi
nac_p	C6H5N1O2	smiles	inchi
nh4_p	H3N1	smiles	inchi
ni2_p	Ni	smiles	inchi
feenter_p	C30H24Fe1N3O15	smiles	inchi
feoxam_p	C25H45Fe1N6O8	smiles	inchi
inost_p	C6H12O6	smiles	inchi
feoxam_un_p	C25H48N6O8	smiles	inchi
nmn_p	C11H15N2O8P1	smiles	inchi
no_p	NO	smiles	inchi
ins_p	C10H12N4O5	smiles	inchi
no2_p	NO2	smiles	inchi
for_p	C1H2O2	smiles	inchi
isetac_p	C2H6O4S1	smiles	inchi
fru_p	C6H12O6	smiles	inchi
no3_p	NO3	smiles	inchi
k_p	K	smiles	inchi
novbcn_p	C31H36N2O11	smiles	inchi
frulys_p	C12H24N2O7	smiles	inchi
kdo2lipid4_p	C84H154N2O37P2	smiles	inchi
fruur_p	C6H10O7	smiles	inchi
o16a2und_p	C123H202N2O57P2	smiles	inchi
lac__D_p	C3H6O3	smiles	inchi
o16a3und_p	C157H257N3O82P2	smiles	inchi
fuc__L_p	C6H12O5	smiles	inchi
fum_p	C4H4O4	smiles	inchi
lac__L_p	C3H6O3	smiles	inchi
fusa_p	C31H48O5	smiles	inchi
o16a4colipa_p	C312H534N6O200P4	smiles	inchi
o16a4und_p	C191H312N4O107P2	smiles	inchi
lcts_p	C12H22O11	smiles	inchi
o16aund_p	C89H147N1O32P2	smiles	inchi
leu__L_p	C6H13NO2	smiles	inchi
o2_p	O2	smiles	inchi
g1p_p	C6H13O9P1	smiles	inchi
lipa_p	C110H202N2O39P2	smiles	inchi
g3pc_p	C8H20NO6P	smiles	inchi
o2s_p	O2	smiles	inchi
lipa_cold_p	C114H208N2O39P2	smiles	inchi
ocdca_p	C18H36O2	smiles	inchi
g3pe_p	C5H14NO6P	smiles	inchi
lipoate_p	C8H14O2S2	smiles	inchi
g3pg_p	C6H15O8P1	smiles	inchi
ocdcea_p	C18H34O2	smiles	inchi
octa_p	C8H16O2	smiles	inchi
g3pi_p	C9H19O11P1	smiles	inchi
g3ps_p	C6H14N1O8P1	smiles	inchi
orn_p	C5H12N2O2	smiles	inchi
lys__L_p	C6H14N2O2	smiles	inchi
orot_p	C5H4N2O4	smiles	inchi
lyx__L_p	C5H10O5	smiles	inchi
pa120_p	C27H53O8P1	smiles	inchi
mal__D_p	C4H6O5	smiles	inchi
pa140_p	C31H61O8P1	smiles	inchi
so3_p	O3S	smiles	inchi
mal__L_p	C4H6O5	smiles	inchi
so4_p	O4S	smiles	inchi
pa141_p	C31H57O8P1	smiles	inchi
malt_p	C12H22O11	smiles	inchi
pa160_p	C35H69O8P1	smiles	inchi
spmd_p	C7H19N3	smiles	inchi
malthx_p	C36H62O31	smiles	inchi
succ_p	C4H6O4	smiles	inchi
pa161_p	C35H65O8P1	smiles	inchi
maltpt_p	C30H52O26	smiles	inchi
pa180_p	C39H77O8P1	smiles	inchi
sucr_p	C12H22O11	smiles	inchi
malttr_p	C18H32O16	smiles	inchi
sulfac_p	C2H4O5S1	smiles	inchi
pa181_p	C39H73O8P1	smiles	inchi
maltttr_p	C24H42O21	smiles	inchi
pacald_p	C8H8O	smiles	inchi
tartr__D_p	C4H6O6	smiles	inchi
man_p	C6H12O6	smiles	inchi
tartr__L_p	C4H6O6	smiles	inchi
pe120_p	C29H58N1O8P1	smiles	inchi
taur_p	C2H7NO3S	smiles	inchi
man6p_p	C6H13O9P1	smiles	inchi
tcynt_p	CNS	smiles	inchi
pe140_p	C33H66N1O8P1	smiles	inchi
pe141_p	C33H62N1O8P1	smiles	inchi
manglyc_p	C9H16O9	smiles	inchi
pe160_p	C37H74N1O8P1	smiles	inchi
thm_p	C12H16N4O1S1	smiles	inchi
melib_p	C12H22O11	smiles	inchi
thr__L_p	C4H9NO3	smiles	inchi
pe161_p	C37H70N1O8P1	smiles	inchi
meoh_p	CH4O1	smiles	inchi
pe180_p	C41H82N1O8P1	smiles	inchi
thrp_p	C4H10N1O6P1	smiles	inchi
met__D_p	C5H10NO2S	smiles	inchi
thym_p	C5H6N2O2	smiles	inchi
pe181_p	C41H78N1O8P1	smiles	inchi
met__L_p	C5H11NO2S	smiles	inchi
peamn_p	C8H11N1	smiles	inchi
thymd_p	C10H14N2O5	smiles	inchi
metsox_R__L_p	C5H11NO3S	smiles	inchi
tma_p	C3H9N1	smiles	inchi
pg120_p	C30H59O10P1	smiles	inchi
pg140_p	C34H67O10P1	smiles	inchi
metsox_S__L_p	C5H11NO3S	smiles	inchi
pg141_p	C34H63O10P1	smiles	inchi
tmao_p	C3H9NO	smiles	inchi
mg2_p	Mg	smiles	inchi
tre_p	C12H22O11	smiles	inchi
pg160_p	C38H75O10P1	smiles	inchi
mincyc_p	C23H27N3O7	smiles	inchi
pg161_p	C38H71O10P1	smiles	inchi
trp__L_p	C11H12N2O2	smiles	inchi
minohp_p	C6H18O24P6	smiles	inchi
tsul_p	O3S2	smiles	inchi
ttdca_p	C14H28O2	smiles	inchi
pg180_p	C42H83O10P1	smiles	inchi
pg181_p	C42H79O10P1	smiles	inchi
pgp120_p	C30H60O13P2	smiles	inchi
mmet_p	C6H13N1O2S1	smiles	inchi
pgp140_p	C34H68O13P2	smiles	inchi
ttdcea_p	C14H26O2	smiles	inchi
ttrcyc_p	C22H24N2O8	smiles	inchi
mn2_p	Mn	smiles	inchi
tungs_p	O4W1	smiles	inchi
pgp141_p	C34H64O13P2	smiles	inchi
pgp160_p	C38H76O13P2	smiles	inchi
mnl_p	C6H14O6	smiles	inchi
pgp161_p	C38H72O13P2	smiles	inchi
tym_p	C8H11N1O1	smiles	inchi
mobd_p	MoO4	smiles	inchi
tyr__L_p	C9H11NO3	smiles	inchi
pgp180_p	C42H84O13P2	smiles	inchi
mso3_p	C1H4O3S1	smiles	inchi
pgp181_p	C42H80O13P2	smiles	inchi
tyrp_p	C9H12N1O6P1	smiles	inchi
murein3p3p_p	C68H108N12O38	smiles	inchi
uLa4n_p	C60H100N1O7P1	smiles	inchi
phe__L_p	C9H11NO2	smiles	inchi
murein3px3p_p	C68H106N12O37	smiles	inchi
pheme_p	C34H32Fe1N4O4	smiles	inchi
uacgam_p	C17H27N3O17P2	smiles	inchi
murein3px4p_p	C71H111N13O38	smiles	inchi
udcpdp_p	C55H92O7P2	smiles	inchi
pi_p	H3O4P1	smiles	inchi
udcpp_p	C55H91O4P1	smiles	inchi
udpacgal_p	C17H27N3O17P2	smiles	inchi
udpg_p	C15H24N2O17P2	smiles	inchi
udpgal_p	C15H24N2O17P2	smiles	inchi
udpglcur_p	C15H22N2O18P2	smiles	inchi
ump_p	C9H13N2O9P1	smiles	inchi
unagamuf_p	C79H129N3O22P2	smiles	inchi
ura_p	C4H4N2O2	smiles	inchi
urea_p	CH4N2O	smiles	inchi
uri_p	C9H12N2O6	smiles	inchi
val__L_p	C5H11NO2	smiles	inchi
xan_p	C5H4N4O2	smiles	inchi
xmp_p	C10H13N4O9P1	smiles	inchi
xtsn_p	C10H12N4O6	smiles	inchi
xyl__D_p	C5H10O5	smiles	inchi
xylu__L_p	C5H10O5	smiles	inchi
zn2_p	Zn	smiles	inchi
pnto__R_p	C9H17N1O5	smiles	inchi
ppa_p	C3H6O2	smiles	inchi
ppal_p	C3H6O	smiles	inchi
pppn_p	C9H10O2	smiles	inchi
ppt_p	H3O3P1	smiles	inchi
pro__L_p	C5H9NO2	smiles	inchi
progly_p	C7H12N2O3	smiles	inchi
psclys_p	C12H24N2O7	smiles	inchi
pser__L_p	C3H8N1O6P1	smiles	inchi
ptrc_p	C4H12N2	smiles	inchi
pydam_p	C8H12N2O2	smiles	inchi
pydx_p	C8H9NO3	smiles	inchi
pydxn_p	C8H11NO3	smiles	inchi
pyr_p	C3H4O3	smiles	inchi
quin_p	C7H12O6	smiles	inchi
r5p_p	C5H11O8P1	smiles	inchi
rfamp_p	C43H58N4O12	smiles	inchi
rib__D_p	C5H10O5	smiles	inchi
rmn_p	C6H12O5	smiles	inchi
sbt__D_p	C6H14O6	smiles	inchi
sel_p	O4Se	smiles	inchi
ser__D_p	C3H7NO3	smiles	inchi
ser__L_p	C3H7NO3	smiles	inchi
skm_p	C7H10O5	smiles	inchi
slnt_p	O3Se	smiles	inchi
so2_p	O2S	smiles	inchi