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(S)-(-)-1, 2, 4-丁三醇CAS号 : 42890-76-6 Compound CID : 640997分子式: HOCH2CH2CH(OH)CH2OH 分子量: 106.12IUPAC Name: (2S)-butane-1,2,4-triolSMILES: C(CO)C(CO)OInChIKey: ARXKVVRQIIOZGF-BYPYZUCNSA-NInChI: InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1
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（S）-1-[3,5-双（三氟甲基）苯基]-3-[1-（二甲基氨基）-3-甲基丁烷-2-基]硫脲CAS号 : 1048692-50-7 Compound CID : 24898641分子式: C16H21F6N3S 分子量: 401.4IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2S)-1-(dimethylamino)-3-methylbutan-2-yl]thioureaSMILES: CC(C)C(CN(C)C)NC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)FInChIKey: KRYYOIQNEMXCQT-CYBMUJFWSA-NInChI: InChI=1S/C16H21F6N3S/c1-9(2)13(8-25(3)4)24-14(26)23-12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h5-7,9,13H,8H2,1-4H3,(H2,23,24,26)/t13-/m1/s1
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3-[[3,5-双(三氟甲基)苯基]氨基]-4-[[(1S,2S)-2-(1-哌啶基)环己基]氨基]-3-环丁烯-1,2-二酮CAS号 : 1312991-15-3 Compound CID : 66559351分子式: C23H25F6N3O2 分子量: 489.5IUPAC Name: 3-[3,5-bis(trifluoromethyl)anilino]-4-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]cyclobut-3-ene-1,2-dioneSMILES: C1CCN(CC1)C2CCCCC2NC3=C(C(=O)C3=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)FInChIKey: XUZPZFXQOUOXFH-IRXDYDNUSA-NInChI: InChI=1S/C23H25F6N3O2/c24-22(25,26)13-10-14(23(27,28)29)12-15(11-13)30-18-19(21(34)20(18)33)31-16-6-2-3-7-17(16)32-8-4-1-5-9-32/h10-12,16-17,30-31H,1-9H2/t16-,17-/m0/s1
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(S)-(+)-(3,5-二氧-4-磷-环庚并[2,1-a;3,4-a']二萘-4-基)吗啉CAS号 : 185449-81-4 Compound CID : 11704056分子式: C24H20NO3P 分子量: 401.41IUPAC Name: 4-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)morpholineSMILES: C1COCCN1P2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65InChIKey: XUJAXBFFTHRXLV-UHFFFAOYSA-NInChI: InChI=1S/C24H20NO3P/c1-3-7-19-17(5-1)9-11-21-23(19)24-20-8-4-2-6-18(20)10-12-22(24)28-29(27-21)25-13-15-26-16-14-25/h1-12H,13-16H2
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Josiphos SL-J007-2CAS号 : 849923-88-2 Compound CID : 146159920分子式: C42H56FeO2P2 分子量: 710.69SMILES: CC1=CC(=CC(=C1OC)C)P([C]2[CH][CH][CH][C]2C(C)P(C3CCCCC3)C4CCCCC4)C5=CC(=C(C(=C5)C)OC)C.[CH]1[CH][CH][CH][CH]1.[Fe]InChIKey: QYTRSAIHSZHSTP-UHFFFAOYSA-NInChI: InChI=1S/C37H51O2P2.C5H5.Fe/c1-25-21-32(22-26(2)36(25)38-6)41(33-23-27(3)37(39-7)28(4)24-33)35-20-14-19-34(35)29(5)40(30-15-10-8-11-16-30)31-17-12-9-13-18-31;1-2-4-5-3-1;/h14,19-24,29-31H,8-13,15-18H2,1-7H3;1-5H;
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更昔洛韦-d5CAS号 : 1189966-73-1分子式: C9H8D5N5O4 分子量: 260.26SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])O)OCN1C=NC2C1=NC(=NC2=O)N)O
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N-去甲基氯氮平-d8CAS号 : 1189888-77-4分子式: C17H9D8ClN4 分子量: 320.85IUPAC Name: 3-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UFBJYANTSA-NInChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2/i7D2,8D2,9D2,10D2
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异戊酸-d9CAS号 : 344298-81-3分子式: C5HD9O2 分子量: 111.19IUPAC Name: 2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoic acidSMILES: CC(C)CC(=O)OInChIKey: GWYFCOCPABKNJV-CBZKUFJVSA-NInChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D
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异烟肼-d4CAS号 : 774596-24-6分子式: C6H3D4N3O 分子量: 141.16IUPAC Name: 2,3,5,6-tetradeuteriopyridine-4-carbohydrazideSMILES: C1=CN=CC=C1C(=O)NNInChIKey: QRXWMOHMRWLFEY-RHQRLBAQSA-NInChI: InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)/i1D,2D,3D,4D
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磺胺二甲嘧啶-d4CAS号 : 1020719-82-7 Compound CID : 45040438分子式: C12H10D4N4O2S 分子量: 282.35IUPAC Name: 4-amino-2,3,5,6-tetradeuterio-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamideSMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)CInChIKey: ASWVTGNCAZCNNR-LNFUJOGGSA-NInChI: InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)/i3D,4D,5D,6D
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2-甲苯胺-d7CAS号 : 68408-22-0分子式: C₇H₂D₇N 分子量: 114.20IUPAC Name: N,N,2,3,4,5-hexadeuterio-6-(trideuteriomethyl)anilineSMILES: CC1=CC=CC=C1NInChIKey: RNVCVTLRINQCPJ-LLZDZVHOSA-NInChI: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3/i1D3,2D,3D,4D,5D/hD2
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4-硝基苯甲酸-d4CAS号 : 171777-66-5分子式: C7HD4NO4 分子量: 171.14IUPAC Name: 2,3,5,6-tetradeuterio-4-nitrobenzoic acidSMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]InChIKey: OTLNPYWUJOZPPA-RHQRLBAQSA-NInChI: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)/i1D,2D,3D,4D
![（S）-1-[3,5-双（三氟甲基）苯基]-3-[1-（二甲基氨基）-3-甲基丁烷-2-基]硫脲](https://www.aladdin-e.com/media/catalog/product/cache/5cebb9429cfefb26230b29f242aa3132/S/2/S281662.png)
![3-[[3,5-双(三氟甲基)苯基]氨基]-4-[[(1S,2S)-2-(1-哌啶基)环己基]氨基]-3-环丁烯-1,2-二酮](https://www.aladdin-e.com/media/catalog/product/cache/5cebb9429cfefb26230b29f242aa3132/B/2/B281595.png)
![(S)-(+)-(3,5-二氧-4-磷-环庚并[2,1-a;3,4-a']二萘-4-基)吗啉](https://www.aladdin-e.com/media/catalog/product/cache/5cebb9429cfefb26230b29f242aa3132/S/2/S281989.png)
