inchi_id,inchi,inchikey
1,InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,CZGCEKJOLUNIFY-UHFFFAOYSA-N
2,"InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2",TYMLOMAKGOJONV-UHFFFAOYSA-N
3,"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H",BTJIUGUIPKRLHP-UHFFFAOYSA-N
4,"InChI=1S/C6H5ClO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)",AOQYAMDZQAEDLO-UHFFFAOYSA-N
5,"InChI=1S/C8H10N3.ClH/c1-11(2)8-5-3-7(10-9)4-6-8;/h3-6H,1-2H3;1H/q+1;/p-1",CCIAVEMREXZXAK-UHFFFAOYSA-M
6,InChI=1S/C6H4N3O2.ClH/c7-8-5-1-3-6(4-2-5)9(10)11;/h1-4H;1H/q+1;/p-1,GAVPOWTXUZVFML-UHFFFAOYSA-M
7,"InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3",NTPLXRHDUXRPNE-UHFFFAOYSA-N
8,"InChI=1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3",MXMOTZIXVICDSD-UHFFFAOYSA-N
9,"InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",ZEYHEAKUIGZSGI-UHFFFAOYSA-N
10,"InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3",BGNGWHSBYQYVRX-UHFFFAOYSA-N
11,"InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2",VOLRSQPSJGXRNJ-UHFFFAOYSA-N
12,"InChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3",RESTWAHJFMZUIZ-UHFFFAOYSA-N
13,"InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2",YFZHODLXYNDBSM-UHFFFAOYSA-N
14,"InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2",KGCNHWXDPDPSBV-UHFFFAOYSA-N
15,"InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3",XIFJZJPMHNUGRA-UHFFFAOYSA-N
16,"InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2",KMVPXBDOWDXXEN-UHFFFAOYSA-N
17,"InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3",BNUHAJGCKIQFGE-UHFFFAOYSA-N
18,"InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3",SPPWGCYEYAMHDT-UHFFFAOYSA-N
19,"InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3",YQYGPGKTNQNXMH-UHFFFAOYSA-N
20,InChI=1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H,LXEJRKJRKIFVNY-UHFFFAOYSA-N
21,"InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)",KKEYFWRCBNTPAC-UHFFFAOYSA-N
22,"InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3",CJAOGUFAAWZWNI-UHFFFAOYSA-N
23,"InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3",QJAIOCKFIORVFU-UHFFFAOYSA-N
24,InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,FYFDQJRXFWGIBS-UHFFFAOYSA-N
25,"InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)",LVPMIMZXDYBCDF-UHFFFAOYSA-N
26,"InChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2",IKMXRUOZUUKSON-UHFFFAOYSA-N
27,InChI=1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H,GFNKTLQTQSALEJ-UHFFFAOYSA-N
28,"InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3",NWPKEYHUZKMWKJ-UHFFFAOYSA-N
29,"InChI=1S/C16H12O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H,17,18)(H,19,20)",SBBQDUFLZGOASY-UHFFFAOYSA-N
30,InChI=1S/C12H8N2O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H,KWGZRLZJBLEVFZ-UHFFFAOYSA-N
31,"InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)",XDRYMKDFEDOLFX-UHFFFAOYSA-N
32,InChI=1S/C6H5N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5H;1H/q+1;/p-1,CLRSZXHOSMKUIB-UHFFFAOYSA-M
33,"InChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3",YMDNODNLFSHHCV-UHFFFAOYSA-N
34,"InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3",UDGSVBYJWHOHNN-UHFFFAOYSA-N
35,"InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3",BFSVOASYOCHEOV-UHFFFAOYSA-N
36,"InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3",YBDSNEVSFQMCTL-UHFFFAOYSA-N
37,"InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",AGEZXYOZHKGVCM-UHFFFAOYSA-N
38,"InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2",BBDKZWKEPDTENS-UHFFFAOYSA-N
39,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N
40,"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",PPBRXRYQALVLMV-UHFFFAOYSA-N
41,"InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2",KFDVPJUYSDEJTH-UHFFFAOYSA-N
42,"InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",KCXMKQUNVWSEMD-UHFFFAOYSA-N
43,"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2",GYBNBQFUPDFFQX-UHFFFAOYSA-N
44,"InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2",WGQKYBSKWIADBV-UHFFFAOYSA-N
45,InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H,JFDZBHWFFUWGJE-UHFFFAOYSA-N
46,InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H,GPHQHTOMRSGBNZ-UHFFFAOYSA-N
47,"InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2",VSSAZBXXNIABDN-UHFFFAOYSA-N
48,"InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2",DCFDVJPDXYGCOK-UHFFFAOYSA-N
49,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",WVDDGKGOMKODPV-UHFFFAOYSA-N
50,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,HUMNYLRZRPPJDN-UHFFFAOYSA-N
51,"InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",UENWRTRMUIOCKN-UHFFFAOYSA-N
52,"InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H",GZPHSAQLYPIAIN-UHFFFAOYSA-N
53,"InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2",MVQVNTPHUGQQHK-UHFFFAOYSA-N
54,InChI=1S/C6H5.ClH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1,AWGTVRDHKJQFAX-UHFFFAOYSA-M
55,InChI=1S/C6H5.Hg.H2O/c1-2-4-6-5-3-1;;/h1-5H;;1H2/q;+1;/p-1,NWDUDBMLUKJHGK-UHFFFAOYSA-M
56,InChI=1S/C6H5.BrH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1,ANRQGKOBLBYXFM-UHFFFAOYSA-M
57,InChI=1S/C6H5.ClH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1,GQONLASZRVFGHI-UHFFFAOYSA-M
58,"InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3",XTUVJUMINZSXGF-UHFFFAOYSA-N
59,"InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3",AFBPFSWMIHJQDM-UHFFFAOYSA-N
60,"InChI=1S/C7H7N/c1-8-7-5-3-2-4-6-7/h2-6H,1H2",VULHYRAYXYTONQ-UHFFFAOYSA-N
61,"InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2",HKOOXMFOFWEVGF-UHFFFAOYSA-N
62,"InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2",VEZUQRBDRNJBJY-UHFFFAOYSA-N
63,"InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H",CKRZKMFTZCFYGB-UHFFFAOYSA-N
64,"InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",RDOXTESZEPMUJZ-UHFFFAOYSA-N
65,"InChI=1S/C6H6O.K/c7-6-4-2-1-3-5-6;/h1-5,7H;",RKHQZMOCQHXUBC-UHFFFAOYSA-N
66,"InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",HNKJADCVZUBCPG-UHFFFAOYSA-N
67,"InChI=1S/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2",KGIGUEBEKRSTEW-UHFFFAOYSA-N
68,InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H,FFNVQNRYTPFDDP-UHFFFAOYSA-N
69,"InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3",NRGGMCIBEHEAIL-UHFFFAOYSA-N
70,"InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2",ROTONRWJLXYJBD-UHFFFAOYSA-N
71,"InChI=1S/C6H8O2/c7-5-6-3-1-2-4-8-6/h2,4-6H,1,3H2",NPWYTMFWRRIFLK-UHFFFAOYSA-N
72,"InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3",HVCNXQOWACZAFN-UHFFFAOYSA-N
73,InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2,UWSDONTXWQOZFN-UHFFFAOYSA-N
74,"InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2",SBYHFKPVCBCYGV-UHFFFAOYSA-N
75,"InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3",RNVYQYLELCKWAN-UHFFFAOYSA-N
76,"InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3",JZHGRUMIRATHIU-UHFFFAOYSA-N
77,"InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3",RGXUCUWVGKLACF-UHFFFAOYSA-N
78,"InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2",QVSVMNXRLWSNGS-UHFFFAOYSA-N
79,"InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H",IAVREABSGIHHMO-UHFFFAOYSA-N
80,"InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3",OSIGJGFTADMDOB-UHFFFAOYSA-N
81,"InChI=1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1",NDKBVBUGCNGSJJ-UHFFFAOYSA-M
82,"InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3",RIWRBSMFKVOJMN-UHFFFAOYSA-N
83,"InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)",NIXKBAZVOQAHGC-UHFFFAOYSA-N
84,"InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)",HCAJEUSONLESMK-UHFFFAOYSA-N
85,"InChI=1S/C18H36B2O6/c1-13-10-16(4,5)24-19(21-13)22-14(2)11-17(6,7)25-20-23-15(3)12-18(8,9)26-20/h13-15H,10-12H2,1-9H3",QXMQBCRKITYLGR-UHFFFAOYSA-N
86,"InChI=1S/C17H25NO3/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3",QSAVEGSLJISCDF-UHFFFAOYSA-N
87,"InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3",RXQCGGRTAILOIN-UHFFFAOYSA-N
88,"InChI=1S/C19H18N2O2S/c1-15-7-13-19(14-8-15)24(22,23)21-18-11-9-17(10-12-18)20-16-5-3-2-4-6-16/h2-14,20-21H,1H3",KEZPMZSDLBJCHH-UHFFFAOYSA-N
89,"InChI=1S/C16H20N.ClH/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1",LCXAARCEIWRIMU-UHFFFAOYSA-M
90,"InChI=1S/C23H40N2O.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-24-23(26)21-25(2,3)20-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H",COLOBWZNRYGBRU-UHFFFAOYSA-N
91,InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2,VKYKSIONXSXAKP-UHFFFAOYSA-N
92,"InChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*4H,1H2,2-3H3;",MCULRUJILOGHCJ-UHFFFAOYSA-N
93,"InChI=1S/C8H26O3Si4/c1-12(2)9-14(5,6)11-15(7,8)10-13(3)4/h12-13H,1-8H3",MMAKNNYIZYDWTD-UHFFFAOYSA-N
94,"InChI=1S/C9H16O/c1-8(2)5-6-9(3,4)7-10/h5,7H,6H2,1-4H3",TVJYZLLDEHOCJE-UHFFFAOYSA-N
95,"InChI=1S/C6H15ClSi/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3",MXOSTENCGSDMRE-UHFFFAOYSA-N
96,"InChI=1S/C3H8O4S.Na/c1-2-3-7-8(4,5)6;/h2-3H2,1H3,(H,4,5,6);",LOHWLNZGVZCBJO-UHFFFAOYSA-N
97,"InChI=1S/C4H10O4S.Na/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H,5,6,7);",INONUHNSEHDKJS-UHFFFAOYSA-N
98,"InChI=1S/C7H18N2Si2/c1-10(2,3)8-7-9-11(4,5)6/h1-6H3",KSVMTHKYDGMXFJ-UHFFFAOYSA-N
99,"InChI=1S/C16H32N2/c1-15(2,3)13-17-11-9-7-8-10-12-18-14-16(4,5)6/h13-14H,7-12H2,1-6H3",ZFYXJSOEGJUVCC-UHFFFAOYSA-N
100,"InChI=1S/C2H6N2O2/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)",VGGLHLAESQEWCR-UHFFFAOYSA-N
101,"InChI=1S/C2H6N2OS/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)",CALBDOUFMLLGQH-UHFFFAOYSA-N