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19f52f39fcbc040abb8a7d88971908e19e0ee23b
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Author SHA1 Message Date
Chris Neal
19f52f39fc Added standard InChi key & string for MDM 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/24705#section=Names-and-Identifiers
 2018-05-10 12:03:27 -04:00
Chris Neal
e92c1eb526 Added standard InChi key & string for MD4M 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/7875#section=Names-and-Identifiers
 2018-05-10 12:01:51 -04:00
Chris Neal
a92e2e71ec Added standard InChi key & string for MD3M 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8853#section=Names-and-Identifiers
 2018-05-10 11:55:45 -04:00
Chris Neal
6dfce9f8cb Added standard InChi key & string for MD2M 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8852#section=Names-and-Identifiers
 2018-05-10 11:53:35 -04:00
Chris Neal
da587e8884 Added standard InChi key & string for Krypton 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/5416#section=Names-and-Identifiers
 2018-05-10 11:51:47 -04:00
Chris Neal
515c56b891 Added standard InChi key & string for Isopentane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6556#section=Names-and-Identifiers
 2018-05-10 11:50:19 -04:00
Chris Neal
780984836a Added standard InChi key & string for Isohexane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/7892#section=Names-and-Identifiers
 2018-05-10 11:38:10 -04:00
Chris Neal
a8accffb94 Added standard InChi key & string for Isobutene 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8255#section=Names-and-Identifiers
 2018-05-10 00:39:23 -04:00
Chris Neal
5560b32a09 Added standard InChi key & string for Isobutane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6360#section=Names-and-Identifiers
 2018-05-10 00:31:53 -04:00
Chris Neal
c07f3a04b9 Added standard InChi key & string for Hydrogen Sulfide 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/402#section=Names-and-Identifiers
 2018-05-10 00:30:05 -04:00
Chris Neal
aa0911d7b7 Added standard InChi key & string for Hydrogen Chloride 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/313#section=Names-and-Identifiers
 2018-05-10 00:27:52 -04:00
Chris Neal
e5535b25ef Added standard InChi key & string for Hydrogen 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/783#section=Names-and-Identifiers
 2018-05-10 00:26:10 -04:00
Chris Neal
cc5fbba882 Added standard InChi key & string for Helium 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=17245
 2018-05-10 00:24:22 -04:00
Chris Neal
8a801b0163 Added standard InChi key & string for Heavy Water 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/24602#section=Names-and-Identifiers
 2018-05-10 00:23:05 -04:00
Chris Neal
3deed49e32 Added standard InChi key & string for HFE143 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/73947#section=Names-and-Identifiers
 2018-05-10 00:15:41 -04:00
Chris Neal
8a22cbb91c Added standard InChi key & string for Fluorine 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/24524#section=Names-and-Identifiers
 2018-05-10 00:12:21 -04:00
Chris Neal
f6d31aad8d Added standard InChi key & string for Ethylene Oxide 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6354#section=Names-and-Identifiers
 2018-05-10 00:10:34 -04:00
Chris Neal
e88116e963 Added standard InChi key & string for Ethylene 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6325#section=Names-and-Identifiers
 2018-05-10 00:04:33 -04:00
Chris Neal
b157b4d065 Added standard InChi key & string for EthylBenzene 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/7500#section=Names-and-Identifiers
 2018-05-10 00:03:02 -04:00
Chris Neal
9a0119669b Added standard InChi key & string for Ethanol 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/702#section=Names-and-Identifiers
 2018-05-10 00:00:03 -04:00
Chris Neal
68740c1233 Added standard InChi key & string for Ethane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/6324#section=Names-and-Identifiers
 2018-05-09 23:58:05 -04:00
Chris Neal
500ad5634e Added standard InChi key & string for DimethylEther 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/8254#section=Names-and-Identifiers
 2018-05-09 23:56:43 -04:00
Chris Neal
da8d4f4c16 Added standard InChi key & string for DimethylCarbonate 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/12021#section=InChI
 2018-05-09 23:54:34 -04:00
Chris Neal
02583945de Added standard InChi key & string for DiethylEther 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/3283#section=Names-and-Identifiers
 2018-05-09 23:51:39 -04:00
Chris Neal
186e4db180 Added standard InChi key & string for Dichloroethane 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/11#section=Names-and-Identifiers
 2018-05-09 23:49:48 -04:00
Chris Neal
91ad682df4 Added standard InChi key & string for Deuterium 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/24523#section=Names-and-Identifiers
 2018-05-09 23:48:24 -04:00
Chris Neal
8c0ba707e8 Added standard InChi key & string for D6 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/10911#section=Names-and-Identifiers
 2018-05-09 23:41:46 -04:00
Chris Neal
acffd453e2 Added standard InChi key & string for D5 
Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/10913#section=Names-and-Identifiers
 2018-05-09 23:39:45 -04:00
Chris Neal
9ce8ca7e45 Added standard InChi key & string for D4 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=25640
 2018-05-09 23:36:57 -04:00
Chris Neal
98db394181 Added standard InChi key & string for Cyclopentane 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=23492
 2018-05-09 23:35:12 -04:00
Chris Neal
fa09dabd7e Added standard InChi key & string for Cyclopropane 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=30365
 2018-05-09 23:33:40 -04:00
Chris Neal
d03aafaee8 Added standard InChi key & string for Cyclohexane 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=29005
 2018-05-09 23:32:19 -04:00
Chris Neal
47350e6e88 Added standard InChi key & string for Carbonyl Sulfide 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=16573
 2018-05-09 23:30:33 -04:00
Chris Neal
64a49d771e Added standard InChi key & string for Carbon Monoxide 
Values obtained from: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=17245
 2018-05-09 23:29:02 -04:00
Chris Neal
8c8125c059 Added standard InChi key & string for Carbon Dioxide 
Values obtained using IUPAC winchi-1 software from Molfile: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=16526
 2018-05-09 23:26:31 -04:00
Chris Neal
bfab9f835e Added standard InChi key & string for Benzene 
Values obtained using IUPAC winchi-1 software from Molfile:https://www.ebi.ac.uk/chebi/searchId.do?chebiId=16716
 2018-05-09 23:24:52 -04:00
Chris Neal
6f69fb7b1a Added standard InChi key & string for Argon 
Values obtained using IUPAC winchi-1 software from Molfile: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49475
 2018-05-09 23:22:45 -04:00
Chris Neal
17dcabdf35 Added standard InChi key & string for Ammonia 
Values obtained using IUPAC winchi-1 software from Molfile: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=16134
 2018-05-09 23:19:57 -04:00
Chris Neal
51a199998f Added standard InChi key & string for Acetone 
Values obtained using IUPAC winchi-1 software from Molfile: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=15347
 2018-05-09 23:15:35 -04:00
Chris Neal
c132f89f72 Added standard InChi key & string for 1-Butene 
Values obtained using IUPAC winchi-1 software from Molfile: http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48362
 2018-05-09 23:12:17 -04:00
Ian Bell
b9b215194a Fix secretly hidden overload 2018-04-17 19:12:39 -06:00
Matthis Thorade
05daf2068e Delete LICENSE_CLA.txt 2018-04-17 17:17:15 +02:00
thorade
17dba49712 use sorted(list) instead of list.sort() 
http://python3porting.com/improving.html#sorting-section
 2018-04-17 13:19:40 +02:00
thorade
39eb5767df E721: isinstance instead of type comparison 
this is for #1612
 2018-04-17 13:10:03 +02:00
Jeff Henning
eb8e2a40bc Move QA docs to .github directory & update links. (#1687) 2018-04-17 05:07:51 -04:00
Matthis Thorade
9a97f294a5 License issue1685 (#1686) 
* Delete LICENSE

* Create LICENSE
 2018-04-17 09:46:37 +02:00
Jorrit Wronski
9417b72f2f Typo in the example from #1600 2018-04-05 09:23:50 +02:00
Jorrit Wronski
21e21ba203 Added the example from #1600 to the docs 2018-04-05 09:22:35 +02:00
Jorrit Wronski
4f931ff83d Always link to DL, should not hurt anyone 2018-04-05 09:02:27 +02:00
Jorrit Wronski
1e58e49964 Always link to DL libraries, should not hurt anyone 2018-04-05 09:01:42 +02:00