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  1. 1 - 50
Compound 2
Drug synonym:Not Available
Molecular Weight:199.2463
Molecular Formula:C6H12F3NOSi
SMILES:CN(C(=O)C(F)(F)F)[Si](C)(C)C
InChI:1S/C6H12F3NOSi/c1-10(12(2,3)4)5(11)6(7,8)9/h1-4H3
InChIKey:MSPCIZMDDUQPGJ-UHFFFAOYSA-N
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Compound 2a
Drug synonym:Not Available
Molecular Weight:199.2463
Molecular Formula:C6H12F3NOSi
SMILES:CN(C(=O)C(F)(F)F)[Si](C)(C)C
InChI:1S/C6H12F3NOSi/c1-10(12(2,3)4)5(11)6(7,8)9/h1-4H3
InChIKey:MSPCIZMDDUQPGJ-UHFFFAOYSA-N
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Compound 1
Drug synonym:Not Available
Molecular Weight:121.1366
Molecular Formula:C7H7NO
SMILES:NC(=O)C1=CC=CC=C1
InChI:1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChIKey:KXDAEFPNCMNJSK-UHFFFAOYSA-N
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Compound 1a
Drug synonym:Not Available
Molecular Weight:103.1213
Molecular Formula:C7H5N
SMILES:N#CC1=CC=CC=C1
InChI:1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChIKey:JFDZBHWFFUWGJE-UHFFFAOYSA-N
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Compound 10
Drug synonym:Not Available
Molecular Weight:189.1345
Molecular Formula:C8H6F3NO
SMILES:NC(=O)C1=CC=C(C=C1)C(F)(F)F
InChI:1S/C8H6F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
InChIKey:WEJHBEDHLLBJFW-UHFFFAOYSA-N
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Compound 11
Drug synonym:Not Available
Molecular Weight:146.146
Molecular Formula:C8H6N2O
SMILES:NC(=O)C1=CC=C(C=C1)C#N
InChI:1S/C8H6N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H2,10,11)
InChIKey:FUKWTMJZHKZKFA-UHFFFAOYSA-N
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Compound 19
Drug synonym:Not Available
Molecular Weight:137.202
Molecular Formula:C7H7NS
SMILES:NC(=S)C1=CC=CC=C1
InChI:1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChIKey:QIOZLISABUUKJY-UHFFFAOYSA-N
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Compound 3
Drug synonym:Not Available
Molecular Weight:139.127
Molecular Formula:C7H6FNO
SMILES:NC(=O)C1=CC=C(F)C=C1
InChI:1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey:VNDHYTGVCGVETQ-UHFFFAOYSA-N
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Compound 3a
Drug synonym:Not Available
Molecular Weight:121.1118
Molecular Formula:C7H4FN
SMILES:FC1=CC=C(C=C1)C#N
InChI:1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey:AEKVBBNGWBBYLL-UHFFFAOYSA-N
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Compound 4
Drug synonym:Not Available
Molecular Weight:155.582
Molecular Formula:C7H6ClNO
SMILES:NC(=O)C1=CC=C(Cl)C=C1
InChI:1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey:BLNVISNJTIRAHF-UHFFFAOYSA-N
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Compound 4a
Drug synonym:Not Available
Molecular Weight:137.566
Molecular Formula:C7H4ClN
SMILES:ClC1=CC=C(C=C1)C#N
InChI:1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey:GJNGXPDXRVXSEH-UHFFFAOYSA-N
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Compound 5
Drug synonym:Not Available
Molecular Weight:200.033
Molecular Formula:C7H6BrNO
SMILES:NC(=O)C1=CC=C(Br)C=C1
InChI:1S/C7H6BrNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey:ZRWNRAJCPNLYAK-UHFFFAOYSA-N
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Compound 5a
Drug synonym:Not Available
Molecular Weight:182.017
Molecular Formula:C7H4BrN
SMILES:BrC1=CC=C(C=C1)C#N
InChI:1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChIKey:HQSCPPCMBMFJJN-UHFFFAOYSA-N
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Compound 6
Drug synonym:Not Available
Molecular Weight:135.1632
Molecular Formula:C8H9NO
SMILES:CC1=CC=C(C=C1)C(N)=O
InChI:1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey:UHBGYFCCKRAEHA-UHFFFAOYSA-N
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Compound 6a
Drug synonym:Not Available
Molecular Weight:117.1479
Molecular Formula:C8H7N
SMILES:CC1=CC=C(C=C1)C#N
InChI:1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
InChIKey:VCZNNAKNUVJVGX-UHFFFAOYSA-N
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Compound 7
Drug synonym:Not Available
Molecular Weight:135.1632
Molecular Formula:C8H9NO
SMILES:CC1=CC=CC(=C1)C(N)=O
InChI:1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey:WGRPQCFFBRDZFV-UHFFFAOYSA-N
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Compound 7a
Drug synonym:Not Available
Molecular Weight:117.1479
Molecular Formula:C8H7N
SMILES:CC1=CC=CC(=C1)C#N
InChI:1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
InChIKey:BOHCMQZJWOGWTA-UHFFFAOYSA-N
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Compound 8
Drug synonym:Not Available
Molecular Weight:135.1632
Molecular Formula:C8H9NO
SMILES:CC1=C(C=CC=C1)C(N)=O
InChI:1S/C8H9NO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey:XXUNIGZDNWWYED-UHFFFAOYSA-N
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Compound 8a
Drug synonym:Not Available
Molecular Weight:117.1479
Molecular Formula:C8H7N
SMILES:CC1=C(C=CC=C1)C#N
InChI:1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
InChIKey:NWPNXBQSRGKSJB-UHFFFAOYSA-N
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Compound 9
Drug synonym:Not Available
Molecular Weight:151.1626
Molecular Formula:C8H9NO2
SMILES:COC1=CC=C(C=C1)C(N)=O
InChI:1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey:GUCPYIYFQVTFSI-UHFFFAOYSA-N
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Compound 9a
Drug synonym:Not Available
Molecular Weight:133.1473
Molecular Formula:C8H7NO
SMILES:COC1=CC=C(C=C1)C#N
InChI:1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
InChIKey:XDJAAZYHCCRJOK-UHFFFAOYSA-N
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Compound 10a
Drug synonym:Not Available
Molecular Weight:171.1193
Molecular Formula:C8H4F3N
SMILES:FC(F)(F)C1=CC=C(C=C1)C#N
InChI:1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
InChIKey:DRNJIKRLQJRKMM-UHFFFAOYSA-N
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Compound 11a
Drug synonym:Not Available
Molecular Weight:128.1308
Molecular Formula:C8H4N2
SMILES:N#CC1=CC=C(C=C1)C#N
InChI:1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H
InChIKey:BHXFKXOIODIUJO-UHFFFAOYSA-N
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Compound 12
Drug synonym:Not Available
Molecular Weight:177.2429
Molecular Formula:C11H15NO
SMILES:CC(C)(C)C1=CC=C(C=C1)C(N)=O
InChI:1S/C11H15NO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)
InChIKey:VIPMBJSGYWWHAO-UHFFFAOYSA-N
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Compound 12a
Drug synonym:Not Available
Molecular Weight:159.2276
Molecular Formula:C11H13N
SMILES:CC(C)(C)C1=CC=C(C=C1)C#N
InChI:1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
InChIKey:IIZURLNRIMKEDL-UHFFFAOYSA-N
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Compound 13
Drug synonym:Not Available
Molecular Weight:171.1953
Molecular Formula:C11H9NO
SMILES:NC(=O)C1=CC2=C(C=CC=C2)C=C1
InChI:1S/C11H9NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)
InChIKey:JVXXKQIRGQDWOJ-UHFFFAOYSA-N
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Compound 13a
Drug synonym:Not Available
Molecular Weight:153.18
Molecular Formula:C11H7N
SMILES:N#CC1=CC2=C(C=CC=C2)C=C1
InChI:1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H
InChIKey:AZKDTTQQTKDXLH-UHFFFAOYSA-N
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Compound 14
Drug synonym:Not Available
Molecular Weight:171.1953
Molecular Formula:C11H9NO
SMILES:NC(=O)C1=C2C=CC=CC2=CC=C1
InChI:1S/C11H9NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,12,13)
InChIKey:RMHJJUOPOWPRBP-UHFFFAOYSA-N
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Compound 14a
Drug synonym:Not Available
Molecular Weight:153.18
Molecular Formula:C11H7N
SMILES:N#CC1=C2C=CC=CC2=CC=C1
InChI:1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H
InChIKey:YJMNOKOLADGBKA-UHFFFAOYSA-N
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Compound 15
Drug synonym:3‐pyridinecarboxamide, aminicotin, benicot, niacinamide, niavit PP, nicasir, nicotinamide … … … … … …
Molecular Weight:122.1246
Molecular Formula:C6H6N2O
SMILES:NC(=O)C1=CC=CN=C1
InChI:1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKey:DFPAKSUCGFBDDF-UHFFFAOYSA-N
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Compound 15a
Drug synonym:Not Available
Molecular Weight:104.1094
Molecular Formula:C6H4N2
SMILES:N#CC1=CC=CN=C1
InChI:1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
InChIKey:GZPHSAQLYPIAIN-UHFFFAOYSA-N
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Compound 16
Drug synonym:Not Available
Molecular Weight:122.1246
Molecular Formula:C6H6N2O
SMILES:NC(=O)C1=CC=CC=N1
InChI:1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
InChIKey:IBBMAWULFFBRKK-UHFFFAOYSA-N
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Compound 16a
Drug synonym:Not Available
Molecular Weight:104.1094
Molecular Formula:C6H4N2
SMILES:N#CC1=CC=CC=N1
InChI:1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H
InChIKey:FFNVQNRYTPFDDP-UHFFFAOYSA-N
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Compound 17
Drug synonym:Not Available
Molecular Weight:135.1632
Molecular Formula:C8H9NO
SMILES:NC(=O)CC1=CC=CC=C1
InChI:1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKey:LSBDFXRDZJMBSC-UHFFFAOYSA-N
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Compound 17a
Drug synonym:Not Available
Molecular Weight:117.1479
Molecular Formula:C8H7N
SMILES:N#CCC1=CC=CC=C1
InChI:1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey:SUSQOBVLVYHIEX-UHFFFAOYSA-N
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Compound 18
Drug synonym:Not Available
Molecular Weight:179.2588
Molecular Formula:C11H17NO
SMILES:NC(=O)C12CC3CC(CC(C3)C1)C2
InChI:1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)
InChIKey:CKBZJTAMRPPVSR-UHFFFAOYSA-N
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Compound 18a
Drug synonym:Not Available
Molecular Weight:161.2435
Molecular Formula:C11H15N
SMILES:N#CC12CC3CC(CC(C3)C1)C2
InChI:1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2
InChIKey:FQFZASRJFRAEIH-UHFFFAOYSA-N
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Compound 19a
Drug synonym:Not Available
Molecular Weight:103.1213
Molecular Formula:C7H5N
SMILES:N#CC1=CC=CC=C1
InChI:1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChIKey:JFDZBHWFFUWGJE-UHFFFAOYSA-N
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Compound 21
Drug synonym:Not Available
Molecular Weight:127.0652
Molecular Formula:C3H4F3NO
SMILES:[H]N(C)C(=O)C(F)(F)F
InChI:1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)
InChIKey:IQNHBUQSOSYAJU-UHFFFAOYSA-N
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Compound 25
Drug synonym:Not Available
Molecular Weight:162.3775
Molecular Formula:C6H18OSi2
SMILES:C[Si](C)(C)O[Si](C)(C)C
InChI:1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
InChIKey:UQEAIHBTYFGYIE-UHFFFAOYSA-N
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Compound 27
Drug synonym:Not Available
Molecular Weight:90.1964
Molecular Formula:C3H10OSi
SMILES:C[Si](C)(C)O
InChI:1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3
InChIKey:AAPLIUHOKVUFCC-UHFFFAOYSA-N
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Compound 30
Drug synonym:Not Available
Molecular Weight:211.3082
Molecular Formula:C10H14FNOSi
SMILES:C[Si](C)(C)NC(=O)C1=CC=C(F)C=C1
InChI:1S/C10H14FNOSi/c1-14(2,3)12-10(13)8-4-6-9(11)7-5-8/h4-7H,1-3H3,(H,12,13)
InChIKey:OQSKDJPUXHZZKX-UHFFFAOYSA-N
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Compound 29
Drug synonym:Not Available
Molecular Weight:283.4893
Molecular Formula:C13H22FNOSi2
SMILES:C[Si](C)(C)O\C(=N\[Si](C)(C)C)C1=CC=C(F)C=C1
InChI:1S/C13H22FNOSi2/c1-17(2,3)15-13(16-18(4,5)6)11-7-9-12(14)10-8-11/h7-10H,1-6H3/b15-13+
InChIKey:NAPNINJVSGAQOC-FYWRMAATSA-N
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Compound 28
Drug synonym:Not Available
Molecular Weight:158.557
Molecular Formula:C7H4ClFO
SMILES:FC1=CC=C(C=C1)C(Cl)=O
InChI:1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
InChIKey:CZKLEJHVLCMVQR-UHFFFAOYSA-N
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Compound 2c
Drug synonym:Not Available
Molecular Weight:199.2463
Molecular Formula:C6H12F3NOSi
SMILES:C\N=C(\O[Si](C)(C)C)C(F)(F)F
InChI:1S/C6H12F3NOSi/c1-10-5(6(7,8)9)11-12(2,3)4/h1-4H3/b10-5+
InChIKey:FYFRFEAOZNSIHX-BJMVGYQFSA-N
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Compound 33
Drug synonym:Not Available
Molecular Weight:41.0519
Molecular Formula:C2H3N
SMILES:CC#N
InChI:1S/C2H3N/c1-2-3/h1H3
InChIKey:WEVYAHXRMPXWCK-UHFFFAOYSA-N
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Compound 31
Drug synonym:Not Available
Molecular Weight:203.4294
Molecular Formula:C8H21NOSi2
SMILES:CC(=O)N([Si](C)(C)C)[Si](C)(C)C
InChI:1S/C8H21NOSi2/c1-8(10)9(11(2,3)4)12(5,6)7/h1-7H3
InChIKey:VTACLVUOTMPORB-UHFFFAOYSA-N
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Compound 32
Drug synonym:Not Available
Molecular Weight:203.4294
Molecular Formula:C8H21NOSi2
SMILES:C\C(O[Si](C)(C)C)=N/[Si](C)(C)C
InChI:1S/C8H21NOSi2/c1-8(9-11(2,3)4)10-12(5,6)7/h1-7H3/b9-8+
InChIKey:SIOVKLKJSOKLIF-CMDGGOBGSA-N
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Compound 34
Drug synonym:Not Available
Molecular Weight:131.2483
Molecular Formula:C5H13NOSi
SMILES:[H]N(C(C)=O)[Si](C)(C)C
InChI:1S/C5H13NOSi/c1-5(7)6-8(2,3)4/h1-4H3,(H,6,7)
InChIKey:LWFWUJCJKPUZLV-UHFFFAOYSA-N
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Compound 36
Drug synonym:Not Available
Molecular Weight:131.2483
Molecular Formula:C5H13NOSi
SMILES:[H]N=C(C)O[Si](C)(C)C
InChI:1S/C5H13NOSi/c1-5(6)7-8(2,3)4/h6H,1-4H3/b6-5+
InChIKey:RAZBQBDVZOHZPS-AATRIKPKSA-N
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