Attachment 1-Chemical List (Final).xlsx
XLSX spreadsheet 977 KB Posted
- Attached to
- Organic Chemicals
- Solicitation number
- 1333ND22QNB640356
About this file
This is a request for quotations issued by the National Institute of Standards and Technology seeking fixed price quotes from contractors to provide various organic chemicals. The chemicals are required for use in mass spectrometry and do not have special approval requirements. Contractors must quote prices for at least 75% of the chemicals listed in Attachment 1 and meet all terms and conditions. Quotes are due by August 12th and should include a cover letter addressing technical compliance and any exceptions, along with a completed Attachment 1 listing unit prices for each chemical. Award will be made to the technically acceptable offeror with the lowest aggregate price based on a random sample of quoted chemicals. The solicitation is designated 100% for small businesses under NAICS code 325199.
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| File | Type | Posted |
|---|---|---|
| Provisions and Clauses.pdf | ||
| Statement of Requirement (Final).pdf |
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LC+GC
| Structure_ID | CNC_ID | InChIKey (No stereochemistry) | MW | InChIKey | SMILES | InChI | Unit of Issue | Unit Price |
| 244307489 | 3549121374 | AAEOJRPLKSKYLF | 251 | AAEOJRPLKSKYLF-UHFFFAOYSA-N | N#Cc1ncc(C(F)(F)F)cc1Br | InChI=1S/C7H2BrF3N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H | ||
| 30429527 | 3549119421 | AAEQHELGUQCYGL | 206.24 | AAEQHELGUQCYGL-UHFFFAOYSA-N | O=C(O)C(c1ccccc1)C1(O)CCC1 | InChI=1S/C12H14O3/c13-11(14)10(12(15)7-4-8-12)9-5-2-1-3-6-9/h1-3,5-6,10,15H,4,7-8H2,(H,13,14) | ||
| 70777985 | 371477017 | AAHVBCSCIJYASL | 246.47 | AAHVBCSCIJYASL-UHFFFAOYSA-N | ClCC1(CI)COC1 | InChI=1S/C5H8ClIO/c6-1-5(2-7)3-8-4-5/h1-4H2 | ||
| 28837328 | 1211124474 | AASBXERNXVFUEJ | 171.15 | AASBXERNXVFUEJ-UHFFFAOYSA-N | CCC(=O)ON1C(=O)CCC1=O | InChI=1S/C7H9NO4/c1-2-7(11)12-8-5(9)3-4-6(8)10/h2-4H2,1H3 | ||
| 130139434 | 491598845 | AATPYXMXFBBKFO | 400.22 | AATPYXMXFBBKFO-UHFFFAOYSA-N | COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I | InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19) | ||
| 234539027 | 363271637 | AAVDSJVYHWBKPN | 295.77 | AAVDSJVYHWBKPN-UHFFFAOYSA-N | Cc1ccc(-c2cc(C(=O)Cl)c3ccccc3n2)c(C)c1 | InChI=1S/C18H14ClNO/c1-11-7-8-13(12(2)9-11)17-10-15(18(19)21)14-5-3-4-6-16(14)20-17/h3-10H,1-2H3 | ||
| 28772372 | 1842713821 | ABBMQADJUMXTAJ | 228.25 | ABBMQADJUMXTAJ-UHFFFAOYSA-N | NC(=O)Nc1ccc(Oc2ccccc2)cc1 | InChI=1S/C13H12N2O2/c14-13(16)15-10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H,(H3,14,15,16) | ||
| 240624827 | 3519216429 | ABBUZRXDYLQKRH | 230.49 | ABBUZRXDYLQKRH-UHFFFAOYSA-N | Clc1ccc(Br)c2cc[nH]c12 | InChI=1S/C8H5BrClN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H | ||
| 196158526 | 320256611 | ABBXTWLLBXIBEJ | 292.36 | ABBXTWLLBXIBEJ-UHFFFAOYSA-N | CCSc1nncn1/N=C/c1ccc(OC)c(OC)c1 | InChI=1S/C13H16N4O2S/c1-4-20-13-16-14-9-17(13)15-8-10-5-6-11(18-2)12(7-10)19-3/h5-9H,4H2,1-3H3 | ||
| 28862274 | 432447549 | ABJVEAFRFGTATH | 248.33 | ABJVEAFRFGTATH-UHFFFAOYSA-N | NCC1CCN(C(=O)OCc2ccccc2)CC1 | InChI=1S/C14H20N2O2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11,15H2 | ||
| 444725093 | 1809915597 | ABJVXSCTJMFIEM | 211.13 | ABJVXSCTJMFIEM-UHFFFAOYSA-N | Nc1cccc(C(F)(F)C(F)(F)F)c1 | InChI=1S/C8H6F5N/c9-7(10,8(11,12)13)5-2-1-3-6(14)4-5/h1-4H,14H2 | ||
| 28477362 | 457035773 | ACPMGBQCNGPAAY | 386.26 | ACPMGBQCNGPAAY-UHFFFAOYSA-N | Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 | InChI=1S/C12H10F8O3S/c1-7-2-4-8(5-3-7)24(21,22)23-6-10(15,16)12(19,20)11(17,18)9(13)14/h2-5,9H,6H2,1H3 | ||
| 135771568 | 2185400396 | ACYRDEABHZRABW | 242.12 | ACYRDEABHZRABW-UHFFFAOYSA-N | Brc1cncc(N2CCNCC2)c1 | InChI=1S/C9H12BrN3/c10-8-5-9(7-12-6-8)13-3-1-11-2-4-13/h5-7,11H,1-4H2 | ||
| 29139160 | 185073089 | ACZAVKVQOOZHDY | 302.25 | ACZAVKVQOOZHDY-UHFFFAOYSA-N | CCC(C)N(C(=O)c1c(Cl)cccc1Cl)C(C)CC | InChI=1S/C15H21Cl2NO/c1-5-10(3)18(11(4)6-2)15(19)14-12(16)8-7-9-13(14)17/h7-11H,5-6H2,1-4H3 | ||
| 28830203 | 120982720 | ADGMRCLDJLCOKF | 267.1 | ADGMRCLDJLCOKF-UHFFFAOYSA-N | Fc1ccc(Oc2cccc(Br)c2)cc1 | InChI=1S/C12H8BrFO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H | ||
| 530169683 | 3488481620 | ADNQCBKNFSDDHY | 424.45 | ADNQCBKNFSDDHY-HZPDHXFCSA-N | C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(F)ccc1-c1ncccn1 | InChI=1S/C23H22F2N4O2/c1-15-3-4-16(14-31-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3/t15-,16-/m1/s1 | ||
| 28921642 | 3480223156 | AECBVDLERUETKG | 219.51 | AECBVDLERUETKG-UHFFFAOYSA-N | Clc1ccccc1CCBr | InChI=1S/C8H8BrCl/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2 | ||
| 244595480 | 245491891 | AEERHQMQUIVHRC | 150.16 | AEERHQMQUIVHRC-UHFFFAOYSA-N | Cn1cnc2ccc(F)cc21 | InChI=1S/C8H7FN2/c1-11-5-10-7-3-2-6(9)4-8(7)11/h2-5H,1H3 | ||
| 28840603 | 2883566 | AEMWUHCKKDPRSK | 309.44 | AEMWUHCKKDPRSK-UHFFFAOYSA-N | CC(C)c1cc(C(C)C)c(S(=O)(=O)N=[N+]=[N-])c(C(C)C)c1 | InChI=1S/C15H23N3O2S/c1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)21(19,20)18-17-16/h7-11H,1-6H3 | ||
| 113780988 | 116286551 | AEVYTKKOGUOZJH | 348.41 | AEVYTKKOGUOZJH-UHFFFAOYSA-N | Cc1c(CCC(=O)N2CCCC2)c(=O)n2c([nH]c3ccccc32)c1C#N | InChI=1S/C20H20N4O2/c1-13-14(8-9-18(25)23-10-4-5-11-23)20(26)24-17-7-3-2-6-16(17)22-19(24)15(13)12-21/h2-3,6-7,22H,4-5,8-11H2,1H3 | ||
| 27910611 | 423870471 | AEZGRQSLKVNPCI | 421.5 | AEZGRQSLKVNPCI-UHFFFAOYSA-N | O=C(O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 | InChI=1S/C22H15NO4S2/c24-20-19(29-22(28)23(20)13-14-4-2-1-3-5-14)12-17-10-11-18(27-17)15-6-8-16(9-7-15)21(25)26/h1-12H,13H2,(H,25,26) | ||
| 249442314 | 2185486963 | AFCJQWPCRDUHNK | 216.06 | AFCJQWPCRDUHNK-UHFFFAOYSA-N | Brc1nsc2nccnc12 | InChI=1S/C5H2BrN3S/c6-4-3-5(10-9-4)8-2-1-7-3/h1-2H | ||
| 27737245 | 3517952147 | AFNZPMQIKMSUTD | 278.29 | AFNZPMQIKMSUTD-UHFFFAOYSA-N | CCOP(=O)(Cc1cccc2ccccc12)OCC | InChI=1S/C15H19O3P/c1-3-17-19(16,18-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12H2,1-2H3 | ||
| 28441973 | 343672984 | AFRUZPOIXKTEJR | 340.26 | AFRUZPOIXKTEJR-UHFFFAOYSA-N | Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Cl)sc1Cl | InChI=1S/C10H11Cl2N3O2S2/c1-5-9(6(2)15(3)13-5)14-19(16,17)7-4-8(11)18-10(7)12/h4,14H,1-3H3 | ||
| 28416081 | 1827714627 | AFUIDKJBMQWQIO | 140.09 | AFUIDKJBMQWQIO-UHFFFAOYSA-N | O=C1CC(=O)C(=O)CC1=O | InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H2 | ||
| 61677518 | 1829223374 | AGAKWTWMAXDNJG | 266.92 | AGAKWTWMAXDNJG-UHFFFAOYSA-N | CNc1ncc(Br)nc1Br | InChI=1S/C5H5Br2N3/c1-8-5-4(7)10-3(6)2-9-5/h2H,1H3,(H,8,9) | ||
| 135890226 | 3550434170 | AGGWFDNPHKLBBV | 274.32 | AGGWFDNPHKLBBV-YUMQZZPRSA-N | CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O | InChI=1S/C11H22N4O4/c1-6(2)8(12)9(16)15-7(10(17)18)4-3-5-14-11(13)19/h6-8H,3-5,12H2,1-2H3,(H,15,16)(H,17,18)(H3,13,14,19)/t7-,8-/m0/s1 | ||
| 27486836 | 320295023 | AGIMKCSWOGGFKY | 398.44 | AGIMKCSWOGGFKY-UHFFFAOYSA-N | Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 | InChI=1S/C19H18N4O4S/c1-11-8-13(9-16-17(24)20(3)19(28)21(4)18(16)25)12(2)22(11)14-6-5-7-15(10-14)23(26)27/h5-10H,1-4H3 | ||
| 28844395 | 72549298 | AGIWCGXGVSTDQF | 213.32 | AGIWCGXGVSTDQF-UHFFFAOYSA-N | CNC1CCC2(CC1)OCC(C)(C)CO2 | InChI=1S/C12H23NO2/c1-11(2)8-14-12(15-9-11)6-4-10(13-3)5-7-12/h10,13H,4-9H2,1-3H3 | ||
| 243310015 | 3480221761 | AGRCCDZHIDRWPM | 262.35 | AGRCCDZHIDRWPM-UHFFFAOYSA-N | CCNC1CCN(C(=O)OCc2ccccc2)CC1 | InChI=1S/C15H22N2O2/c1-2-16-14-8-10-17(11-9-14)15(18)19-12-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3 | ||
| 70771830 | 1842651960 | AGSKYKDXQOBAPX | 247.34 | AGSKYKDXQOBAPX-UHFFFAOYSA-N | CCOC(=O)C(c1ccccc1)N1CCCCC1 | InChI=1S/C15H21NO2/c1-2-18-15(17)14(13-9-5-3-6-10-13)16-11-7-4-8-12-16/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3 | ||
| 27807880 | 12820166 | AHMFDKPGQGSCJM | 423.3 | AHMFDKPGQGSCJM-UHFFFAOYSA-N | O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 | InChI=1S/C20H20Cl2N2O4/c21-15-1-5-17(6-2-15)27-13-19(25)23-9-11-24(12-10-23)20(26)14-28-18-7-3-16(22)4-8-18/h1-8H,9-14H2 | ||
| 243316884 | 1827702607 | AHVVCELVGCPYGI | 242.22 | AHVVCELVGCPYGI-UHFFFAOYSA-N | O=Cc1ccc(OC(F)F)c(OCC2CC2)c1 | InChI=1S/C12H12F2O3/c13-12(14)17-10-4-3-9(6-15)5-11(10)16-7-8-1-2-8/h3-6,8,12H,1-2,7H2 | ||
| 29553692 | 299878942 | AHYRKIWIZBGYHX | 490.56 | AHYRKIWIZBGYHX-UHFFFAOYSA-N | COc1cccc(C2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)c1OC | InChI=1S/C27H30N4O5/c1-17-20(16-28-31(17)18-10-7-6-8-11-18)24(32)22-23(19-12-9-13-21(35-4)26(19)36-5)30(15-14-29(2)3)27(34)25(22)33/h6-13,16,22-23H,14-15H2,1-5H3 | ||
| 27936763 | 343102603 | AHZAKFLOHIRCDU | 161.16 | AHZAKFLOHIRCDU-UHFFFAOYSA-N | Nc1cc(=O)oc2ccccc12 | InChI=1S/C9H7NO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,10H2 | ||
| 61486886 | 3134375743 | AIIPLYODDSSCIA | 145.11 | AIIPLYODDSSCIA-UHFFFAOYSA-N | FC(F)Oc1ccccn1 | InChI=1S/C6H5F2NO/c7-6(8)10-5-3-1-2-4-9-5/h1-4,6H | ||
| 34409582 | 239366447 | AIKSWGQKTPMFJP | 448.54 | AIKSWGQKTPMFJP-UHFFFAOYSA-N | CCCCOc1cccc(C2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 | InChI=1S/C25H24N2O4S/c1-2-3-12-31-19-9-4-8-18(14-19)22-21(23(28)20-10-6-13-32-20)24(29)25(30)27(22)16-17-7-5-11-26-15-17/h4-11,13-15,21-22H,2-3,12,16H2,1H3 | ||
| 28948084 | 412118554 | AINRQBNLOBQURT | 116.12 | AINRQBNLOBQURT-UHFFFAOYSA-N | C=CC(O)CC(=O)O | InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2,4,6H,1,3H2,(H,7,8) | ||
| 326448771 | 457033967 | AIPBKZUVKDTCOC | 160.11 | AIPBKZUVKDTCOC-UHFFFAOYSA-N | CC(C)OC(F)(F)C(F)F | InChI=1S/C5H8F4O/c1-3(2)10-5(8,9)4(6)7/h3-4H,1-2H3 | ||
| 30559167 | 68594570 | AIZRKZQHJNWBEI | 211.05 | AIZRKZQHJNWBEI-RXMQYKEDSA-N | CCOC(=O)C[C@@H](O)CBr | InChI=1S/C6H11BrO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m1/s1 | ||
| 48303050 | 410486891 | AJCJKOJVNWOCFK | 290.37 | AJCJKOJVNWOCFK-UHFFFAOYSA-N | Cc1ccc(-c2nn(Cc3ccccc3)cc2C=O)cc1C | InChI=1S/C19H18N2O/c1-14-8-9-17(10-15(14)2)19-18(13-22)12-21(20-19)11-16-6-4-3-5-7-16/h3-10,12-13H,11H2,1-2H3 | ||
| 33593016 | 362947305 | AJQCKNBBHOVJGO | 309.44 | AJQCKNBBHOVJGO-UHFFFAOYSA-N | c1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1 | InChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2 | ||
| 27708882 | 1827701010 | AJROJTARXSATEB | 192.04 | AJROJTARXSATEB-UHFFFAOYSA-N | COc1cc(N)c(Cl)cc1Cl | InChI=1S/C7H7Cl2NO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3 | ||
| 1796373610 | 3544003797 | AJSVSHDVMDXRFN | 267.46 | AJSVSHDVMDXRFN-UHFFFAOYSA-N | O=C(O)c1c(O)c(Cl)cc(Br)c1O | InChI=1S/C7H4BrClO4/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,10-11H,(H,12,13) | ||
| 30556754 | 1827684050 | AJTUKWIQLKKRHE | 233.05 | AJTUKWIQLKKRHE-UHFFFAOYSA-N | Cc1ccc(N)c(I)c1 | InChI=1S/C7H8IN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3 | ||
| 28769575 | 1842713333 | AJVBPNRMKNARPG | 200.22 | AJVBPNRMKNARPG-UHFFFAOYSA-N | NC(=O)c1cccc(S(N)(=O)=O)c1 | InChI=1S/C7H8N2O3S/c8-7(10)5-2-1-3-6(4-5)13(9,11)12/h1-4H,(H2,8,10)(H2,9,11,12) | ||
| 28841241 | 238940435 | AJWXJCPSCXFPJJ | 282.75 | AJWXJCPSCXFPJJ-UHFFFAOYSA-N | COc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1 | InChI=1S/C13H11ClO3S/c1-17-12-6-2-10(3-7-12)11-4-8-13(9-5-11)18(14,15)16/h2-9H,1H3 | ||
| 32299760 | 72545910 | AKJHZJCPXMMQCY | 406.58 | AKJHZJCPXMMQCY-UHFFFAOYSA-N | S=C(NCc1cccc(CNC(=S)Nc2ccccc2)c1)Nc1ccccc1 | InChI=1S/C22H22N4S2/c27-21(25-19-10-3-1-4-11-19)23-15-17-8-7-9-18(14-17)16-24-22(28)26-20-12-5-2-6-13-20/h1-14H,15-16H2,(H2,23,25,27)(H2,24,26,28) | ||
| 29514356 | 947273000 | AKKYLKUKNGKEGT | 268.35 | AKKYLKUKNGKEGT-UHFFFAOYSA-N | CSc1nc(Nc2ccccc2)c2cccnc2n1 | InChI=1S/C14H12N4S/c1-19-14-17-12-11(8-5-9-15-12)13(18-14)16-10-6-3-2-4-7-10/h2-9H,1H3,(H,15,16,17,18) | ||
| 180691666 | 2030201004 | AKLNMOLGRGQMFY | 147.54 | AKLNMOLGRGQMFY-UHFFFAOYSA-N | Oc1ncc(Cl)cc1F | InChI=1S/C5H3ClFNO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9) | ||
| 28802705 | 2185465267 | AKQHUJRZKBYZLC | 198.43 | AKQHUJRZKBYZLC-UHFFFAOYSA-N | C=CC[Si](C(C)C)(C(C)C)C(C)C | InChI=1S/C12H26Si/c1-8-9-13(10(2)3,11(4)5)12(6)7/h8,10-12H,1,9H2,2-7H3 | ||
| 379294240 | 1827686029 | ALEUVXQGVOQDBD | 262.48 | ALEUVXQGVOQDBD-VVPTUSLJSA-N | C=C[C@H]1CC[C@H]([C@H]2CC[C@H](CCCCC)CC2)CC1 | InChI=1S/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h4,16-19H,2-3,5-15H2,1H3/t16-,17-,18-,19- | ||
| 243259060 | 3549139270 | ALIWXHRFAQHUSM | 272.43 | ALIWXHRFAQHUSM-SAABIXHNSA-N | CCCCC[C@H]1CC[C@H](c2ccc(C(C)=O)cc2)CC1 | InChI=1S/C19H28O/c1-3-4-5-6-16-7-9-18(10-8-16)19-13-11-17(12-14-19)15(2)20/h11-14,16,18H,3-10H2,1-2H3/t16-,18- | ||
| 519383960 | 1300162202 | ALJIEVIJBAJISI | 362.43 | ALJIEVIJBAJISI-UHFFFAOYSA-N | CC(=O)c1ccc(N/N=C(/C(N)=O)C2=NC(C)(C)Cc3ccccc32)cc1 | InChI=1S/C21H22N4O2/c1-13(26)14-8-10-16(11-9-14)24-25-19(20(22)27)18-17-7-5-4-6-15(17)12-21(2,3)23-18/h4-11,24H,12H2,1-3H3,(H2,22,27) | ||
| 53247698 | 640092264 | ALKCOVKKTNNOGX | 318.34 | ALKCOVKKTNNOGX-UHFFFAOYSA-N | Clc1nccc(Br)c1I | InChI=1S/C5H2BrClIN/c6-3-1-2-9-5(7)4(3)8/h1-2H | ||
| 27949860 | 3550306090 | AMADTSPKSQEMIH | 398.6 | AMADTSPKSQEMIH-UHFFFAOYSA-N | O=C(COc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl | InChI=1S/C15H9Cl3F3NO2/c16-9-2-4-13(11(18)6-9)24-7-14(23)22-12-5-8(15(19,20)21)1-3-10(12)17/h1-6H,7H2,(H,22,23) | ||
| 72957504 | 3550434609 | AMDGKLWVCUXONP | 225.63 | AMDGKLWVCUXONP-UHFFFAOYSA-N | COc1oc(=O)c2cc(N)ccc2c1Cl | InChI=1S/C10H8ClNO3/c1-14-10-8(11)6-3-2-5(12)4-7(6)9(13)15-10/h2-4H,12H2,1H3 | ||
| 101056650 | 457035477 | AMKQXWMMSDACQF | 216.96 | AMKQXWMMSDACQF-UHFFFAOYSA-N | FC(F)(F)CC(F)(F)C(Cl)Cl | InChI=1S/C4H3Cl2F5/c5-2(6)3(7,8)1-4(9,10)11/h2H,1H2 | ||
| 27094204 | 249292326 | AMNPXXIGUOKIPP | 226.33 | AMNPXXIGUOKIPP-UHFFFAOYSA-N | NC(=S)Nc1ccc(NC(N)=S)cc1 | InChI=1S/C8H10N4S2/c9-7(13)11-5-1-2-6(4-3-5)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14) | ||
| 32572887 | 343289562 | AMZDMZAIIDWFBT | 332.39 | AMZDMZAIIDWFBT-UHFFFAOYSA-N | C=CCn1c(SCC(=O)NC(=O)NC)nnc1-c1ccncc1 | InChI=1S/C14H16N6O2S/c1-3-8-20-12(10-4-6-16-7-5-10)18-19-14(20)23-9-11(21)17-13(22)15-2/h3-7H,1,8-9H2,2H3,(H2,15,17,21,22) | ||
| 187227060 | 1827691888 | ANEKYSBZODRVRB | 153.18 | ANEKYSBZODRVRB-UHFFFAOYSA-N | Fc1ccc2scnc2c1 | InChI=1S/C7H4FNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H | ||
| 249942543 | 3517950950 | ANQLQOQLYYSYQP | 132.16 | ANQLQOQLYYSYQP-UHFFFAOYSA-N | OCc1ccc(F)s1 | InChI=1S/C5H5FOS/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2 | ||
| 70704414 | 188381899 | ANSCABGFLRQFHU | 117.1 | ANSCABGFLRQFHU-UHFFFAOYSA-N | CNC(=O)CC(=O)O | InChI=1S/C4H7NO3/c1-5-3(6)2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) | ||
| 127627404 | 3514514417 | ANUFXNUKGPALOJ | 405.92 | ANUFXNUKGPALOJ-VQTJNVASSA-N | CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@H](O)CCl | InChI=1S/C22H28ClNO4/c1-22(2,3)28-21(26)24-19(20(25)14-23)13-16-9-11-18(12-10-16)27-15-17-7-5-4-6-8-17/h4-12,19-20,25H,13-15H2,1-3H3,(H,24,26)/t19-,20+/m0/s1 | ||
| 243479540 | 3549114423 | ANWJEFDJHKCJNW | 179.22 | ANWJEFDJHKCJNW-UHFFFAOYSA-N | Fc1ccc(-c2cccs2)cn1 | InChI=1S/C9H6FNS/c10-9-4-3-7(6-11-9)8-2-1-5-12-8/h1-6H | ||
| 360883031 | 360883355 | AOHRUGRXVVCAEE | 202.1 | AOHRUGRXVVCAEE-UHFFFAOYSA-N | O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1F | InChI=1S/C6H3FN2O5/c7-6-4(8(11)12)1-3(10)2-5(6)9(13)14/h1-2,10H | ||
| 38272022 | 1810154593 | AONYBEHEKIRSMN | 177.18 | AONYBEHEKIRSMN-UHFFFAOYSA-N | Nc1[nH]ncc1-c1cccc(F)c1 | InChI=1S/C9H8FN3/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13) | ||
| 48706388 | 1349947632 | AORWOAPLLYVOEU | 212.63 | AORWOAPLLYVOEU-UHFFFAOYSA-N | CCOC(=O)C(=O)c1cccc(Cl)c1 | InChI=1S/C10H9ClO3/c1-2-14-10(13)9(12)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3 | ||
| 27835869 | 12847023 | AOSRALZFDNFXFZ | 187.2 | AOSRALZFDNFXFZ-UHFFFAOYSA-N | Cc1cccc2c([N+](=O)[O-])cccc12 | InChI=1S/C11H9NO2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3 | ||
| 29486869 | 1827687428 | AOTJNSUBRSAHHW | 273.03 | AOTJNSUBRSAHHW-UHFFFAOYSA-N | N#C[I]1OC(=O)c2ccccc21 | InChI=1S/C8H4INO2/c10-5-9-7-4-2-1-3-6(7)8(11)12-9/h1-4H | ||
| 68232173 | 3550306231 | AOTWIFLKURJQGE | 133.19 | AOTWIFLKURJQGE-UHFFFAOYSA-N | c1ccc(NC2CC2)cc1 | InChI=1S/C9H11N/c1-2-4-8(5-3-1)10-9-6-7-9/h1-5,9-10H,6-7H2 | ||
| 29292691 | 407050766 | AOTYKBXXCYCXRZ | 232.67 | AOTYKBXXCYCXRZ-UHFFFAOYSA-N | O=C(O)c1ccc(-c2ccccc2Cl)cc1 | InChI=1S/C13H9ClO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-8H,(H,15,16) | ||
| 90411649 | 316227050 | AOVFNFDBPZZQBX | 210.26 | AOVFNFDBPZZQBX-UHFFFAOYSA-N | Nc1nc(C2C(=O)CCCC2=O)cs1 | InChI=1S/C9H10N2O2S/c10-9-11-5(4-14-9)8-6(12)2-1-3-7(8)13/h4,8H,1-3H2,(H2,10,11) | ||
| 245059460 | 2185448630 | APIYUIGLEOJMIY | 210.43 | APIYUIGLEOJMIY-UHFFFAOYSA-N | Fc1cc(Cl)c(Br)cn1 | InChI=1S/C5H2BrClFN/c6-3-2-9-5(8)1-4(3)7/h1-2H | ||
| 28779299 | 117290020 | APNQQQRDLMWNLM | 276.42 | APNQQQRDLMWNLM-UHFFFAOYSA-N | CCCCCCCCCCC1=CC(=O)C(C)=C(C)C1=O | InChI=1S/C18H28O2/c1-4-5-6-7-8-9-10-11-12-16-13-17(19)14(2)15(3)18(16)20/h13H,4-12H2,1-3H3 | ||
| 117834396 | 388709360 | APSXEJUOOOHRGS | 172.11 | APSXEJUOOOHRGS-UHFFFAOYSA-N | N#Cc1cccnc1C(F)(F)F | InChI=1S/C7H3F3N2/c8-7(9,10)6-5(4-11)2-1-3-12-6/h1-3H | ||
| 35404312 | 375112413 | APVMIAULAFHJDJ | 304.13 | APVMIAULAFHJDJ-UHFFFAOYSA-N | CC(C)(C)C(=O)Nc1ccc(I)cn1 | InChI=1S/C10H13IN2O/c1-10(2,3)9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14) | ||
| 307633754 | 388701228 | APYIKEJEROJJIK | 194.19 | APYIKEJEROJJIK-UHFFFAOYSA-N | COC(=O)c1cccc(C(C)=O)c1O | InChI=1S/C10H10O4/c1-6(11)7-4-3-5-8(9(7)12)10(13)14-2/h3-5,12H,1-2H3 | ||
| 28780386 | 120983218 | AQEDWWHCJSXKHP | 183.25 | AQEDWWHCJSXKHP-UHFFFAOYSA-N | CCN(CC)CC#CCOC(C)=O | InChI=1S/C10H17NO2/c1-4-11(5-2)8-6-7-9-13-10(3)12/h4-5,8-9H2,1-3H3 | ||
| 27096297 | 3550554938 | AQEGTMVLCRSXRH | 195.26 | AQEGTMVLCRSXRH-UHFFFAOYSA-N | O=C(NO)C12CC3CC(CC(C3)C1)C2 | InChI=1S/C11H17NO2/c13-10(12-14)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9,14H,1-6H2,(H,12,13) | ||
| 243770036 | 246517603 | AQFZXAYKITWKCY | 257.13 | AQFZXAYKITWKCY-UHFFFAOYSA-N | Brc1cccc(OC2CCCNC2)n1 | InChI=1S/C10H13BrN2O/c11-9-4-1-5-10(13-9)14-8-3-2-6-12-7-8/h1,4-5,8,12H,2-3,6-7H2 | ||
| 118618066 | 1828053689 | AQSNYZANMRDLGJ | 376.03 | AQSNYZANMRDLGJ-UHFFFAOYSA-N | O=C(O)c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 | InChI=1S/C14H9BrCl2O3/c15-9-2-4-13(10(6-9)14(18)19)20-7-8-1-3-11(16)12(17)5-8/h1-6H,7H2,(H,18,19) | ||
| 326522524 | 3488479717 | AQSSMEORRLJZLU | 475.98 | AQSSMEORRLJZLU-UHFFFAOYSA-N | Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 | InChI=1S/C26H26ClN5O2/c1-17-14-18(22-16-20(33)6-9-23(22)27)15-24-25(17)29-26(31-30-24)28-19-4-7-21(8-5-19)34-13-12-32-10-2-3-11-32/h4-9,14-16,33H,2-3,10-13H2,1H3,(H,28,29,31) | ||
| 27596785 | 1129636 | AQWCHSYEHJCCNU | 181.29 | AQWCHSYEHJCCNU-UHFFFAOYSA-N | S=C1CSc2ccccc2N1 | InChI=1S/C8H7NS2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10) | ||
| 243865347 | 329154750 | ARLXOZWDGQGERD | 387.27 | ARLXOZWDGQGERD-UHFFFAOYSA-N | Cc1cc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C | InChI=1S/C16H23BrN2O4/c1-10-8-11(17)9-18-12(10)19(13(20)22-15(2,3)4)14(21)23-16(5,6)7/h8-9H,1-7H3 | ||
| 28778346 | 1827710060 | ASFQDNDZFGFMMP | 130.14 | ASFQDNDZFGFMMP-UHFFFAOYSA-N | CC1(C)OCC(=O)CO1 | InChI=1S/C6H10O3/c1-6(2)8-3-5(7)4-9-6/h3-4H2,1-2H3 | ||
| 390251135 | 2477851307 | ASXBTBJGHQPOPY | 121.11 | ASXBTBJGHQPOPY-UHFFFAOYSA-N | NCCC(F)C(=O)O | InChI=1S/C4H8FNO2/c5-3(1-2-6)4(7)8/h3H,1-2,6H2,(H,7,8) | ||
| 31609667 | 370927549 | ASZRHXKUEMHBKN | 434.55 | ASZRHXKUEMHBKN-UHFFFAOYSA-N | CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1 | InChI=1S/C22H18N4O2S2/c1-2-25-21(17-10-7-13-28-17)23-24-22(25)29-14-20(27)26-15-8-3-5-11-18(15)30-19-12-6-4-9-16(19)26/h3-13H,2,14H2,1H3 | ||
| 29027727 | 127646097 | ATGIHMSJAARJTF | 202.29 | ATGIHMSJAARJTF-UHFFFAOYSA-N | CCCCCC(O)/C=C/C(OC)OC | InChI=1S/C11H22O3/c1-4-5-6-7-10(12)8-9-11(13-2)14-3/h8-12H,4-7H2,1-3H3 | ||
| 27722922 | 457039640 | ATHBGWVHAWGMAL | 235.19 | ATHBGWVHAWGMAL-UHFFFAOYSA-N | CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 | InChI=1S/C11H9NO5/c1-2-16-11(13)10-6-7-5-8(12(14)15)3-4-9(7)17-10/h3-6H,2H2,1H3 | ||
| 47027502 | 333211180 | ATRDCTRZAJKDPL | 220.15 | ATRDCTRZAJKDPL-UHFFFAOYSA-N | COc1ccc(OC(F)(F)F)cc1C=O | InChI=1S/C9H7F3O3/c1-14-8-3-2-7(4-6(8)5-13)15-9(10,11)12/h2-5H,1H3 | ||
| 31123001 | 333207100 | AUVLFQDKJFSFIX | 223.47 | AUVLFQDKJFSFIX-UHFFFAOYSA-N | Fc1ccc(Cl)c(CBr)c1 | InChI=1S/C7H5BrClF/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2 | ||
| 28924122 | 1842719123 | AUXNFZYATAMYJU | 182.65 | AUXNFZYATAMYJU-UHFFFAOYSA-N | O=C(CCl)CCc1ccccc1 | InChI=1S/C10H11ClO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 | ||
| 243843618 | 457032401 | AUZSVVOJRQNBRH | 270.09 | AUZSVVOJRQNBRH-UHFFFAOYSA-N | CCOC(=O)c1cn2cc(Br)ncc2n1 | InChI=1S/C9H8BrN3O2/c1-2-15-9(14)6-4-13-5-7(10)11-3-8(13)12-6/h3-5H,2H2,1H3 | ||
| 35302138 | 344682085 | AVUHPLVMRYGTHW | 149.19 | AVUHPLVMRYGTHW-UHFFFAOYSA-N | OCCNCCOCCO | InChI=1S/C6H15NO3/c8-3-1-7-2-5-10-6-4-9/h7-9H,1-6H2 | ||
| 34701505 | 402268397 | AVWFCOAUPSRLKL | 354.41 | AVWFCOAUPSRLKL-UHFFFAOYSA-N | NNC(=O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 | InChI=1S/C22H18N4O/c23-26-22(27)18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)20(25-21)16-9-5-2-6-10-16/h1-14H,23H2,(H,24,25)(H,26,27) | ||
| 629199885 | 3481810385 | AWJBWNUUODWOKQ | 370.8 | AWJBWNUUODWOKQ-UHFFFAOYSA-N | Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c21 | InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3 | ||
| 28932703 | 344676244 | AWKOMEXJXBINBQ | 254.27 | AWKOMEXJXBINBQ-UHFFFAOYSA-N | CCOP(=O)(C/C=C/c1ccccc1)OCC | InChI=1S/C13H19O3P/c1-3-15-17(14,16-4-2)12-8-11-13-9-6-5-7-10-13/h5-11H,3-4,12H2,1-2H3 | ||
| 34982594 | 117277999 | AWPKXPUZILRUDJ | 188.2 | AWPKXPUZILRUDJ-UHFFFAOYSA-N | NC(=S)Nc1c(F)cccc1F | InChI=1S/C7H6F2N2S/c8-4-2-1-3-5(9)6(4)11-7(10)12/h1-3H,(H3,10,11,12) | ||
| 584529167 | 1225718507 | AWQSKLYWVWEYKB | 293.33 | AWQSKLYWVWEYKB-UHFFFAOYSA-N | C=CCN1C(=O)/C(=N/Nc2ccccc2O)c2ccccc21 | InChI=1S/C17H15N3O2/c1-2-11-20-14-9-5-3-7-12(14)16(17(20)22)19-18-13-8-4-6-10-15(13)21/h2-10,18,21H,1,11H2 | ||
| 243862146 | 1843723729 | AWRSBLKVIBXYGO | 204.05 | AWRSBLKVIBXYGO-UHFFFAOYSA-N | N#Cc1nc(N)sc1Br | InChI=1S/C4H2BrN3S/c5-3-2(1-6)8-4(7)9-3/h(H2,7,8) | ||
| 27738968 | 2185400025 | AWTKFTNNPQGGLX | 164.2 | AWTKFTNNPQGGLX-UHFFFAOYSA-N | COC(=O)Cc1cccc(C)c1 | InChI=1S/C10H12O2/c1-8-4-3-5-9(6-8)7-10(11)12-2/h3-6H,7H2,1-2H3 | ||
| 27736790 | 372175219 | AXAMLHJXUICVAY | 207.23 | AXAMLHJXUICVAY-UHFFFAOYSA-N | CC(C)(NC(=O)c1ccccc1)C(=O)O | InChI=1S/C11H13NO3/c1-11(2,10(14)15)12-9(13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13)(H,14,15) | ||
| 28515772 | 432351386 | AXEHDVUAWILBRN | 216.22 | AXEHDVUAWILBRN-UHFFFAOYSA-N | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 | InChI=1S/C7H8N2O4S/c1-14(12,13)8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3 | ||
| 101056618 | 3545569843 | AXIDYNSWXPNBLG | 352.07 | AXIDYNSWXPNBLG-UHFFFAOYSA-N | O=S(=O)(Oc1ccccc1I)C(F)(F)F | InChI=1S/C7H4F3IO3S/c8-7(9,10)15(12,13)14-6-4-2-1-3-5(6)11/h1-4H | ||
| 292783082 | 1815885489 | AXJXEMONAZPBNR | 370.99 | AXJXEMONAZPBNR-UHFFFAOYSA-N | Fc1nc(N2CCCC2)cc(I)c1Br | InChI=1S/C9H9BrFIN2/c10-8-6(12)5-7(13-9(8)11)14-3-1-2-4-14/h5H,1-4H2 | ||
| 243865503 | 490071476 | AXMBYGGSBXWTEY | 248.16 | AXMBYGGSBXWTEY-UHFFFAOYSA-N | O=C(O)CNC(=O)c1cnccc1C(F)(F)F | InChI=1S/C9H7F3N2O3/c10-9(11,12)6-1-2-13-3-5(6)8(17)14-4-7(15)16/h1-3H,4H2,(H,14,17)(H,15,16) | ||
| 37363531 | 3544001123 | AXWJKQDGIVWVEW | 161.16 | AXWJKQDGIVWVEW-BYPYZUCNSA-N | CN(C)[C@@H](CC(=O)O)C(=O)O | InChI=1S/C6H11NO4/c1-7(2)4(6(10)11)3-5(8)9/h4H,3H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1 | ||
| 95798404 | 1808606350 | AXWRAIIIBRLXBP | 395.53 | AXWRAIIIBRLXBP-UHFFFAOYSA-N | O=C(c1cc2c(s1)CCCCC2)N1CCC(n2c(O)nc3ccccc32)CC1 | InChI=1S/C22H25N3O2S/c26-21(20-14-15-6-2-1-3-9-19(15)28-20)24-12-10-16(11-13-24)25-18-8-5-4-7-17(18)23-22(25)27/h4-5,7-8,14,16H,1-3,6,9-13H2,(H,23,27) | ||
| 243755376 | 3549115771 | AYCXDJXKBPZTTR | 204.18 | AYCXDJXKBPZTTR-UHFFFAOYSA-N | CCOC(=O)c1cnn(C)c1C(F)F | InChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4-11-12(2)6(5)7(9)10/h4,7H,3H2,1-2H3 | ||
| 296684576 | 517320492 | AYPZKWVKQLZIHI | 143.12 | AYPZKWVKQLZIHI-UHFFFAOYSA-N | COc1ncc(F)cc1O | InChI=1S/C6H6FNO2/c1-10-6-5(9)2-4(7)3-8-6/h2-3,9H,1H3 | ||
| 30183652 | 3549113403 | AYSYSOQSKKDJJY | 119.13 | AYSYSOQSKKDJJY-UHFFFAOYSA-N | c1ccn2cnnc2c1 | InChI=1S/C6H5N3/c1-2-4-9-5-7-8-6(9)3-1/h1-5H | ||
| 28804353 | 1827702129 | AYYOZKHMSABVRP | 175.19 | AYYOZKHMSABVRP-UHFFFAOYSA-N | COC(=O)c1ccc2cc[nH]c2c1 | InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3 | ||
| 28667728 | 3517951053 | AZFMFGIMDGBJRR | 137.14 | AZFMFGIMDGBJRR-UHFFFAOYSA-N | CC(=O)c1ccc[n+]([O-])c1 | InChI=1S/C7H7NO2/c1-6(9)7-3-2-4-8(10)5-7/h2-5H,1H3 | ||
| 275903001 | 414619302 | AZIWICNNHJUTPW | 334.35 | AZIWICNNHJUTPW-UHFFFAOYSA-N | COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(N)=O)cc1 | InChI=1S/C15H14N2O5S/c1-22-13-5-3-2-4-12(13)15(19)17-23(20,21)11-8-6-10(7-9-11)14(16)18/h2-9H,1H3,(H2,16,18)(H,17,19) | ||
| 76843319 | 1827698371 | AZSMRYOBGTVCKR | 110.12 | AZSMRYOBGTVCKR-UHFFFAOYSA-N | Nc1cnc(N)cn1 | InChI=1S/C4H6N4/c5-3-1-7-4(6)2-8-3/h1-2H,(H2,6,7)(H2,5,8) | ||
| 28667090 | 3515226136 | AZVALKSFVWAVOL | 148.09 | AZVALKSFVWAVOL-UHFFFAOYSA-N | Cc1c(F)nc(F)nc1F | InChI=1S/C5H3F3N2/c1-2-3(6)9-5(8)10-4(2)7/h1H3 | ||
| 27941137 | 3545610453 | AZYDQCGCBQYFSE | 294.81 | AZYDQCGCBQYFSE-UHFFFAOYSA-N | CC(C)C(C(=O)Nc1nccs1)c1ccc(Cl)cc1 | InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18) | ||
| 243609077 | 321741027 | BACITTGULZNNGC | 229.12 | BACITTGULZNNGC-UHFFFAOYSA-N | CCN(CC)c1cccc(Br)n1 | InChI=1S/C9H13BrN2/c1-3-12(4-2)9-7-5-6-8(10)11-9/h5-7H,3-4H2,1-2H3 | ||
| 28519131 | 344681781 | BAQQRABCRRQRSR | 85.11 | BAQQRABCRRQRSR-UHFFFAOYSA-N | N#CCCCO | InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2 | ||
| 28813733 | 68587193 | BASNZTUXPUAQLZ | 316.96 | BASNZTUXPUAQLZ-UHFFFAOYSA-N | CCCCCCCCCCCCCCCCCCC(=O)Cl | InChI=1S/C19H37ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3 | ||
| 28454456 | 332966982 | BAZLILBEGYTGHE | 303.8 | BAZLILBEGYTGHE-UHFFFAOYSA-N | CSc1n[nH]c(N)c1S(=O)(=O)c1ccc(Cl)cc1 | InChI=1S/C10H10ClN3O2S2/c1-17-10-8(9(12)13-14-10)18(15,16)7-4-2-6(11)3-5-7/h2-5H,1H3,(H3,12,13,14) | ||
| 28840076 | 371379658 | BBACSHIJBOGXKL | 313.35 | BBACSHIJBOGXKL-INIZCTEOSA-N | COC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 | InChI=1S/C18H19NO4/c1-22-17(20)16(12-14-8-4-2-5-9-14)19-18(21)23-13-15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,19,21)/t16-/m0/s1 | ||
| 326450336 | 1827707467 | BBGRLEJFPILYFH | 143.6 | BBGRLEJFPILYFH-UHFFFAOYSA-N | N#Cc1csc(Cl)c1 | InChI=1S/C5H2ClNS/c6-5-1-4(2-7)3-8-5/h1,3H | ||
| 28769213 | 1809912320 | BBNGVMNBBLPZIR | 182.2 | BBNGVMNBBLPZIR-UHFFFAOYSA-N | O=S1(=O)NC=Nc2ccccc21 | InChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1-5H,(H,8,9) | ||
| 292816041 | 2476803279 | BBPHEOAKLBGRSZ | 265.12 | BBPHEOAKLBGRSZ-UHFFFAOYSA-N | Fc1ccc(-c2ccc(CBr)cc2)cc1 | InChI=1S/C13H10BrF/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8H,9H2 | ||
| 457493838 | 1300162226 | BBUVDDPUURMFOX | 471.57 | BBUVDDPUURMFOX-SAABIXHNSA-N | C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc32)CC1 | InChI=1S/C26H29N7O2/c1-16-2-5-18(6-3-16)33-22-13-27-10-8-19(22)20-12-28-26(31-25(20)33)30-23-7-4-17-14-32(24(35)15-34)11-9-21(17)29-23/h4,7-8,10,12-13,16,18,34H,2-3,5-6,9,11,14-15H2,1H3,(H,28,29,30,31)/t16-,18- | ||
| 448589289 | 3550826204 | BCARRKVCHXVTJE | 233.54 | BCARRKVCHXVTJE-UHFFFAOYSA-N | CC(C)c1ccc(Cl)cc1Br | InChI=1S/C9H10BrCl/c1-6(2)8-4-3-7(11)5-9(8)10/h3-6H,1-2H3 | ||
| 101056672 | 457035344 | BCJXLCSPWYKZAE | 209.13 | BCJXLCSPWYKZAE-UHFFFAOYSA-N | FC(F)(F)CCNCCC(F)(F)F | InChI=1S/C6H9F6N/c7-5(8,9)1-3-13-4-2-6(10,11)12/h13H,1-4H2 | ||
| 28261846 | 25371470 | BCQYVFDKVZDNIE | 318.38 | BCQYVFDKVZDNIE-UHFFFAOYSA-N | CC1(C)C(=O)C(c2nc3ccccc3[nH]2)=C(N)N1c1ccccc1 | InChI=1S/C19H18N4O/c1-19(2)16(24)15(17(20)23(19)12-8-4-3-5-9-12)18-21-13-10-6-7-11-14(13)22-18/h3-11H,20H2,1-2H3,(H,21,22) | ||
| 27179827 | 320169916 | BCYKHYUBEZWCKP | 272.33 | BCYKHYUBEZWCKP-UHFFFAOYSA-N | CCCCOC(=O)C(C)Nc1nnc(S)nc1O | InChI=1S/C10H16N4O3S/c1-3-4-5-17-9(16)6(2)11-7-8(15)12-10(18)14-13-7/h6H,3-5H2,1-2H3,(H,11,13)(H2,12,14,15,18) | ||
| 28787605 | 100617496 | BDZHKUAKSMWSAJ | 189.61 | BDZHKUAKSMWSAJ-UHFFFAOYSA-N | CCN(CC)C(F)(F)C(F)Cl | InChI=1S/C6H11ClF3N/c1-3-11(4-2)6(9,10)5(7)8/h5H,3-4H2,1-2H3 | ||
| 28826468 | 3549139264 | BESJCRMQEYZHPM | 221.34 | BESJCRMQEYZHPM-UHFFFAOYSA-N | CC(C)(C)CC(C)(C)c1ccc(O)c(N)c1 | InChI=1S/C14H23NO/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10/h6-8,16H,9,15H2,1-5H3 | ||
| 243341102 | 3481249905 | BETJTXDRGZCHGD | 234.61 | BETJTXDRGZCHGD-UHFFFAOYSA-N | FC(F)(F)c1ccc2nc(CCl)[nH]c2c1 | InChI=1S/C9H6ClF3N2/c10-4-8-14-6-2-1-5(9(11,12)13)3-7(6)15-8/h1-3H,4H2,(H,14,15) | ||
| 68216634 | 3549120881 | BEWDYNRVCARDOP | 226.65 | BEWDYNRVCARDOP-UHFFFAOYSA-N | FC(F)(F)Sc1ccc(CCl)cc1 | InChI=1S/C8H6ClF3S/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2 | ||
| 444755690 | 3488480863 | BEWLUEOYYPKPQL | 466.59 | BEWLUEOYYPKPQL-PGRDOPGGSA-N | CC(=O)N1CCN(Cc2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)CC1 | InChI=1S/C25H34N6O3/c1-17(2)22-16-34-25(33)31(22)23-9-10-26-24(28-23)27-18(3)21-7-5-20(6-8-21)15-29-11-13-30(14-12-29)19(4)32/h5-10,17-18,22H,11-16H2,1-4H3,(H,26,27,28)/t18-,22+/m0/s1 | ||
| 181747220 | 3134375288 | BFFVMENGWWDLLA | 169.61 | BFFVMENGWWDLLA-UHFFFAOYSA-N | Clc1ccnc(NC2CC2)n1 | InChI=1S/C7H8ClN3/c8-6-3-4-9-7(11-6)10-5-1-2-5/h3-5H,1-2H2,(H,9,10,11) | ||
| 29500188 | 1828051867 | BFLWXPJTAKXXKT | 138.17 | BFLWXPJTAKXXKT-UHFFFAOYSA-N | COc1cccc(N)c1N | InChI=1S/C7H10N2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,8-9H2,1H3 | ||
| 47027296 | 3517950164 | BFNLYVZMYOKODI | 220.97 | BFNLYVZMYOKODI-UHFFFAOYSA-N | COC(=O)C(Br)C(F)(F)F | InChI=1S/C4H4BrF3O2/c1-10-3(9)2(5)4(6,7)8/h2H,1H3 | ||
| 448881569 | 642799993 | BFTSWGYWHRJVNI | 525.61 | BFTSWGYWHRJVNI-UHFFFAOYSA-N | COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1c(C)cc(NC(C)=O)cc1C | InChI=1S/C31H31N3O5/c1-19-14-24(32-21(3)35)15-20(2)29(19)39-18-23-16-22(11-12-28(23)37-4)30-33-27-10-6-5-9-26(27)31(36)34(30)17-25-8-7-13-38-25/h5-16,30,33H,17-18H2,1-4H3,(H,32,35) | ||
| 31625220 | 320427910 | BFYHOQGOVSWQLP | 295.8 | BFYHOQGOVSWQLP-UHFFFAOYSA-N | CCCC(=O)n1nc(-c2ccc(Cl)cc2)nc1SC | InChI=1S/C13H14ClN3OS/c1-3-4-11(18)17-13(19-2)15-12(16-17)9-5-7-10(14)8-6-9/h5-8H,3-4H2,1-2H3 | ||
| 117833052 | 1703781109 | BGHPIIBSWJDRLQ | 200.14 | BGHPIIBSWJDRLQ-UHFFFAOYSA-N | CC(=O)c1ccc2c(c1)OC(F)(F)O2 | InChI=1S/C9H6F2O3/c1-5(12)6-2-3-7-8(4-6)14-9(10,11)13-7/h2-4H,1H3 | ||
| 637747568 | 1827703693 | BGMVOROUOUVVRV | 298.39 | BGMVOROUOUVVRV-UHFFFAOYSA-N | O=c1ccccn1CC1(O)CCN(Cc2ccccc2)CC1 | InChI=1S/C18H22N2O2/c21-17-8-4-5-11-20(17)15-18(22)9-12-19(13-10-18)14-16-6-2-1-3-7-16/h1-8,11,22H,9-10,12-15H2 | ||
| 181080117 | 371426512 | BGYFLVURLOZQLU | 302.07 | BGYFLVURLOZQLU-UHFFFAOYSA-N | COC(=O)c1cccc2c(I)n[nH]c12 | InChI=1S/C9H7IN2O2/c1-14-9(13)6-4-2-3-5-7(6)11-12-8(5)10/h2-4H,1H3,(H,11,12) | ||
| 29998695 | 100723859 | BHABKFZVSPMSAA | 387.82 | BHABKFZVSPMSAA-UHFFFAOYSA-N | CC1CCC2C(=O)N(c3cc(Cl)ccc3OC(=O)c3ccco3)C(=O)C2C1 | InChI=1S/C20H18ClNO5/c1-11-4-6-13-14(9-11)19(24)22(18(13)23)15-10-12(21)5-7-16(15)27-20(25)17-3-2-8-26-17/h2-3,5,7-8,10-11,13-14H,4,6,9H2,1H3 | ||
| 243840096 | 3549113289 | BHTJYIDOVYPNKR | 258.31 | BHTJYIDOVYPNKR-UHFFFAOYSA-N | C[Si](C)(C)CCOC(=O)n1cnc([N+](=O)[O-])n1 | InChI=1S/C8H14N4O4Si/c1-17(2,3)5-4-16-8(13)11-6-9-7(10-11)12(14)15/h6H,4-5H2,1-3H3 | ||
| 27097705 | 410482163 | BIXIGFOEUQAXDL | 257.31 | BIXIGFOEUQAXDL-UHFFFAOYSA-N | CCN(CC)S(=O)(=O)c1cccc(C(=O)O)c1 | InChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14) | ||
| 47027417 | 1827691192 | BJBXUIUJKPOZLV | 135.14 | BJBXUIUJKPOZLV-UHFFFAOYSA-N | Cc1cc(F)ccc1C#N | InChI=1S/C8H6FN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3 | ||
| 28438401 | 1842718531 | BJGXXQTZIKOIGR | 250.69 | BJGXXQTZIKOIGR-UHFFFAOYSA-N | COc1ccc(-n2ncc(C(=O)Cl)c2C)cc1 | InChI=1S/C12H11ClN2O2/c1-8-11(12(13)16)7-14-15(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3 | ||
| 406685411 | 3545609396 | BJHCYTJNPVGSBZ | 364.79 | BJHCYTJNPVGSBZ-UHFFFAOYSA-N | CCNC(=O)Nc1ccc(Oc2ncnc(N)c2/C=N/OC)cc1Cl | InChI=1S/C15H17ClN6O3/c1-3-18-15(23)22-12-5-4-9(6-11(12)16)25-14-10(7-21-24-2)13(17)19-8-20-14/h4-8H,3H2,1-2H3,(H2,17,19,20)(H2,18,22,23) | ||
| 101363249 | 2108548994 | BJTSTVKJPXWNIY | 253.95 | BJTSTVKJPXWNIY-UHFFFAOYSA-N | Clc1ccc(CCBr)c(Cl)c1 | InChI=1S/C8H7BrCl2/c9-4-3-6-1-2-7(10)5-8(6)11/h1-2,5H,3-4H2 | ||
| 29513372 | 545856161 | BJWJSFCBOIUATF | 441.55 | BJWJSFCBOIUATF-UHFFFAOYSA-N | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(Cc3sc(O)nc3O)cc1)O2 | InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28) | ||
| 30431988 | 2558155331 | BJYYBQPCMQGLLZ | 198.07 | BJYYBQPCMQGLLZ-UHFFFAOYSA-N | O=NN(CC(=O)O)CP(=O)(O)O | InChI=1S/C3H7N2O6P/c6-3(7)1-5(4-8)2-12(9,10)11/h1-2H2,(H,6,7)(H2,9,10,11) | ||
| 327233249 | 329151674 | BKPHRBXTKLFFHS | 234.07 | BKPHRBXTKLFFHS-UHFFFAOYSA-N | CCOc1c(F)cc(N)cc1Br | InChI=1S/C8H9BrFNO/c1-2-12-8-6(9)3-5(11)4-7(8)10/h3-4H,2,11H2,1H3 | ||
| 28983545 | 3545607005 | BKQFOYCEUMVWOW | 265.01 | BKQFOYCEUMVWOW-UHFFFAOYSA-N | O=[N+]([O-])c1ccc(O)c(I)c1 | InChI=1S/C6H4INO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H | ||
| 243388149 | 371381103 | BKXVGLPBXYBDDM | 291.09 | BKXVGLPBXYBDDM-MRVPVSSYSA-N | N[C@H](Cc1ccccc1I)C(=O)O | InChI=1S/C9H10INO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1 | ||
| 37329753 | 184894451 | BLDFSDCBQJUWFG | 227.31 | BLDFSDCBQJUWFG-LSDHHAIUSA-N | CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 | InChI=1S/C15H17NO/c1-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-17H,1H3/t14-,15+/m0/s1 | ||
| 28708221 | 1827684321 | BLYKGTCYDJZLFB | 156.18 | BLYKGTCYDJZLFB-UHFFFAOYSA-N | COC(=O)C1CCC(=O)CC1 | InChI=1S/C8H12O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6H,2-5H2,1H3 | ||
| 35063342 | 412117586 | BMOXYLBGPIDAAN | 159.14 | BMOXYLBGPIDAAN-BYPYZUCNSA-N | O=C(O)CN1C[C@@H](O)CC1=O | InChI=1S/C6H9NO4/c8-4-1-5(9)7(2-4)3-6(10)11/h4,8H,1-3H2,(H,10,11)/t4-/m0/s1 | ||
| 244317156 | 245490427 | BNIMNPAXLSQYBU | 284.15 | BNIMNPAXLSQYBU-UHFFFAOYSA-N | O=C(Cc1ccccc1Br)N1CCOCC1 | InChI=1S/C12H14BrNO2/c13-11-4-2-1-3-10(11)9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2 | ||
| 27941354 | 3549121461 | BNJNLGGUPKGAHB | 323.97 | BNJNLGGUPKGAHB-UHFFFAOYSA-N | CC(Oc1ccc(Br)cc1Br)C(=O)O | InChI=1S/C9H8Br2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13) | ||
| 48270082 | 638452000 | BNMJZURGOFYNQV | 208.65 | BNMJZURGOFYNQV-UHFFFAOYSA-N | Cc1cc(=O)n(-c2ccc(Cl)cc2)[nH]1 | InChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-6,12H,1H3 | ||
| 184718268 | 1827686941 | BNYCHCAYYYRJSH | 111.1 | BNYCHCAYYYRJSH-UHFFFAOYSA-N | NC(=O)c1cc[nH]n1 | InChI=1S/C4H5N3O/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7) | ||
| 27647502 | 12270012 | BOBPONQWYVSEMC | 429.29 | BOBPONQWYVSEMC-UHFFFAOYSA-N | Cn1c(=O)c2nc(SCC(=O)O)n(Cc3ccc(Cl)cc3Cl)c2n(C)c1=O | InChI=1S/C16H14Cl2N4O4S/c1-20-13-12(14(25)21(2)16(20)26)19-15(27-7-11(23)24)22(13)6-8-3-4-9(17)5-10(8)18/h3-5H,6-7H2,1-2H3,(H,23,24) | ||
| 513088903 | 1810000740 | BOFUZZAQNVYZFF | 211.69 | BOFUZZAQNVYZFF-GZMMTYOYSA-N | C[C@@H]1NCCO[C@H]1c1cccc(Cl)c1 | InChI=1S/C11H14ClNO/c1-8-11(14-6-5-13-8)9-3-2-4-10(12)7-9/h2-4,7-8,11,13H,5-6H2,1H3/t8-,11+/m0/s1 | ||
| 30242226 | 320309471 | BOGSXVWDRDFDQW | 334.84 | BOGSXVWDRDFDQW-UHFFFAOYSA-N | COc1cc(C)ccc1OCCCOc1ccc(Cl)c(C)c1C | InChI=1S/C19H23ClO3/c1-13-6-8-18(19(12-13)21-4)23-11-5-10-22-17-9-7-16(20)14(2)15(17)3/h6-9,12H,5,10-11H2,1-4H3 | ||
| 137800651 | 3545565103 | BPEUICGMDOXPJJ | 430.55 | BPEUICGMDOXPJJ-UHFFFAOYSA-N | CCOC(=O)CN1CCNCCN(CC(=O)OCC)CCN(CC(=O)OCC)CC1 | InChI=1S/C20H38N4O6/c1-4-28-18(25)15-22-9-7-21-8-10-23(16-19(26)29-5-2)12-14-24(13-11-22)17-20(27)30-6-3/h21H,4-17H2,1-3H3 | ||
| 27203844 | 377549 | BPOATMHCERCANX | 300.32 | BPOATMHCERCANX-UHFFFAOYSA-N | COc1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 | InChI=1S/C15H16N4O3/c1-17-13-12(14(20)18(2)15(17)21)19(9-16-13)8-10-4-6-11(22-3)7-5-10/h4-7,9H,8H2,1-3H3 | ||
| 245069980 | 3549139285 | BPRQLNDSURZFSX | 299.09 | BPRQLNDSURZFSX-UHFFFAOYSA-N | FC(F)(F)COc1ccccc1OCCBr | InChI=1S/C10H10BrF3O2/c11-5-6-15-8-3-1-2-4-9(8)16-7-10(12,13)14/h1-4H,5-7H2 | ||
| 131643032 | 371380524 | BPUCEFIHQRKEGS | 317.34 | BPUCEFIHQRKEGS-QMMMGPOBSA-N | CCOC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C | InChI=1S/C13H23N3O6/c1-5-21-10(18)7-15-11(19)8(6-9(14)17)16-12(20)22-13(2,3)4/h8H,5-7H2,1-4H3,(H2,14,17)(H,15,19)(H,16,20)/t8-/m0/s1 | ||
| 28832500 | 1827693638 | BPYLRGKEIUPMRJ | 261.32 | BPYLRGKEIUPMRJ-QMMMGPOBSA-N | CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)O | InChI=1S/C12H23NO5/c1-11(2,3)17-7-8(9(14)15)13-10(16)18-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m0/s1 | ||
| 153860648 | 3481834328 | BPZPSQDKVBXRRO | 262.1 | BPZPSQDKVBXRRO-UHFFFAOYSA-N | CC(C)(C)OC(=O)N1CC(Br)=CC1=O | InChI=1S/C9H12BrNO3/c1-9(2,3)14-8(13)11-5-6(10)4-7(11)12/h4H,5H2,1-3H3 | ||
| 394767842 | 1069454360 | BQAVZKPCEICBRV | 148.16 | BQAVZKPCEICBRV-UHFFFAOYSA-N | NN1Cc2ccccc2C1=O | InChI=1S/C8H8N2O/c9-10-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5,9H2 | ||
| 29512483 | 545857046 | BQLDGDMKDYAGNE | 360.01 | BQLDGDMKDYAGNE-UHFFFAOYSA-N | CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br | InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17) | ||
| 28829157 | 3550830196 | BQQIODGRFRSXTM | 172.7 | BQQIODGRFRSXTM-UHFFFAOYSA-N | CCC#CCCCCCCCl | InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h2,5-10H2,1H3 | ||
| 28524387 | 3486079147 | BRDIPNLKURUXCU | 182.17 | BRDIPNLKURUXCU-UHFFFAOYSA-N | CCOC(=O)c1ccc(O)cc1O | InChI=1S/C9H10O4/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5,10-11H,2H2,1H3 | ||
| 117973425 | 371602374 | BRPVZCGNCUBNIV | 240.33 | BRPVZCGNCUBNIV-UHFFFAOYSA-N | NCc1cccc(S(=O)(=O)N2CCCC2)c1 | InChI=1S/C11H16N2O2S/c12-9-10-4-3-5-11(8-10)16(14,15)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2 | ||
| 326405074 | 3549113225 | BRQYNRBNRAERFJ | 179.22 | BRQYNRBNRAERFJ-UHFFFAOYSA-N | CC(C)Cc1ccccc1[N+](=O)[O-] | InChI=1S/C10H13NO2/c1-8(2)7-9-5-3-4-6-10(9)11(12)13/h3-6,8H,7H2,1-2H3 | ||
| 30466339 | 458058505 | BRRIJZQYTOFDAF | 243.22 | BRRIJZQYTOFDAF-UHFFFAOYSA-N | COc1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1 | InChI=1S/C13H9NO4/c1-17-9-3-4-10-8(6-9)2-5-12-11(10)7-13(18-12)14(15)16/h2-7H,1H3 | ||
| 34698035 | 3517880714 | BRTBEAXHUYEXSY | 444.12 | BRTBEAXHUYEXSY-UHFFFAOYSA-N | Oc1c(Br)cc2ccccc2c1-c1c(O)c(Br)cc2ccccc12 | InChI=1S/C20H12Br2O2/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,23-24H | ||
| 130297698 | 3549108716 | BSDAIZFMQYOAFY | 363.38 | BSDAIZFMQYOAFY-UHFFFAOYSA-N | O=C(O)CCCCCCCCCCCCCCCCCBr | InChI=1S/C18H35BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17H2,(H,20,21) | ||
| 28500587 | 410502553 | BSGRLBPZSRZQOR | 58.08 | BSGRLBPZSRZQOR-UHFFFAOYSA-N | C=C(N)N | InChI=1S/C2H6N2/c1-2(3)4/h1,3-4H2 | ||
| 29003697 | 3517951938 | BSLDYXOPGSOQGZ | 160.21 | BSLDYXOPGSOQGZ-ZETCQYMHSA-N | CC1(C)OC[C@H](CCCO)O1 | InChI=1S/C8H16O3/c1-8(2)10-6-7(11-8)4-3-5-9/h7,9H,3-6H2,1-2H3/t7-/m0/s1 | ||
| 243163064 | 945293250 | BSNIXNVMYNRRMG | 94.07 | BSNIXNVMYNRRMG-UHFFFAOYSA-N | N#Cc1cnco1 | InChI=1S/C4H2N2O/c5-1-4-2-6-3-7-4/h2-3H | ||
| 301081362 | 424847470 | BSPSQSDQPGKYRP | 152.2 | BSPSQSDQPGKYRP-UHFFFAOYSA-N | CN(C)c1ccc(CO)cn1 | InChI=1S/C8H12N2O/c1-10(2)8-4-3-7(6-11)5-9-8/h3-5,11H,6H2,1-2H3 | ||
| 300839567 | 2185434999 | BSQMEFBBQJLTHM | 265.03 | BSQMEFBBQJLTHM-UHFFFAOYSA-N | FC(F)(F)c1ccc(Br)c2cn[nH]c12 | InChI=1S/C8H4BrF3N2/c9-6-2-1-5(8(10,11)12)7-4(6)3-13-14-7/h1-3H,(H,13,14) | ||
| 242997728 | 1827695656 | BSRHATGBRQMDRF | 163.22 | BSRHATGBRQMDRF-SECBINFHSA-N | NC[C@H]1CCc2ccccc2O1 | InChI=1S/C10H13NO/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9H,5-7,11H2/t9-/m1/s1 | ||
| 29657664 | 415136888 | BTAPFKORZUBJMA | 237.65 | BTAPFKORZUBJMA-UHFFFAOYSA-N | Cc1cc(NC(=O)c2cccnc2Cl)no1 | InChI=1S/C10H8ClN3O2/c1-6-5-8(14-16-6)13-10(15)7-3-2-4-12-9(7)11/h2-5H,1H3,(H,13,14,15) | ||
| 235306321 | 333205963 | BTNOAOHDOCQLOG | 212.18 | BTNOAOHDOCQLOG-UHFFFAOYSA-N | CC(=O)Nc1cc(F)c([N+](=O)[O-])cc1C | InChI=1S/C9H9FN2O3/c1-5-3-9(12(14)15)7(10)4-8(5)11-6(2)13/h3-4H,1-2H3,(H,11,13) | ||
| 28770144 | 371377327 | BTOTXLJHDSNXMW | 212.2 | BTOTXLJHDSNXMW-POYBYMJQSA-N | O=c1ccn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]1 | InChI=1S/C9H12N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6-,8+/m0/s1 | ||
| 243700548 | 245491362 | BTQIKMVDGYVIBP | 332.14 | BTQIKMVDGYVIBP-UHFFFAOYSA-N | CCNS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 | InChI=1S/C9H9BrF3NO2S/c1-2-14-17(15,16)6-3-4-8(10)7(5-6)9(11,12)13/h3-5,14H,2H2,1H3 | ||
| 326773462 | 329153107 | BTRJHVUIVJNGBI | 244.11 | BTRJHVUIVJNGBI-UHFFFAOYSA-N | Fc1ccc(Br)cc1N1CCCC1 | InChI=1S/C10H11BrFN/c11-8-3-4-9(12)10(7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2 | ||
| 31581690 | 1703777764 | BTVVEKSXUOEVAY | 237.35 | BTVVEKSXUOEVAY-UHFFFAOYSA-N | c1ccc(C2(c3ccccc3)CCNCC2)cc1 | InChI=1S/C17H19N/c1-3-7-15(8-4-1)17(11-13-18-14-12-17)16-9-5-2-6-10-16/h1-10,18H,11-14H2 | ||
| 28392461 | 69820419 | BTXWOQBYISISBP | 349.32 | BTXWOQBYISISBP-UHFFFAOYSA-N | O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1c[nH]c2ccccc12 | InChI=1S/C19H12FN3O3/c20-14-6-2-4-8-16(14)23-18(25)13(17(24)22-19(23)26)9-11-10-21-15-7-3-1-5-12(11)15/h1-10,21H,(H,22,24,26) | ||
| 27358722 | 3517951023 | BUHGDYPBQWWWQS | 546.66 | BUHGDYPBQWWWQS-UHFFFAOYSA-N | Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)cc1 | InChI=1S/C24H34O10S2/c1-21-3-7-23(8-4-21)35(25,26)33-19-17-31-15-13-29-11-12-30-14-16-32-18-20-34-36(27,28)24-9-5-22(2)6-10-24/h3-10H,11-20H2,1-2H3 | ||
| 28792347 | 1810146562 | BUKYTXOAQJIBTL | 140.23 | BUKYTXOAQJIBTL-UHFFFAOYSA-N | CC1CCC(C)C(C)C1=O | InChI=1S/C9H16O/c1-6-4-5-7(2)9(10)8(6)3/h6-8H,4-5H2,1-3H3 | ||
| 30920850 | 7385143 | BUYMQKLWDAVPNE | 219.29 | BUYMQKLWDAVPNE-UHFFFAOYSA-N | Cc1cc2ccccc2nc1-c1ccccc1 | InChI=1S/C16H13N/c1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13/h2-11H,1H3 | ||
| 38408899 | 394386174 | BUZGDMKPJZIHIO | 256.25 | BUZGDMKPJZIHIO-UHFFFAOYSA-N | O=Cc1ccc(-c2cccc(C(F)(F)F)c2)s1 | InChI=1S/C12H7F3OS/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(7-16)17-11/h1-7H | ||
| 28517924 | 12266441 | BVCAPFTWLHLMJP | 205.28 | BVCAPFTWLHLMJP-UHFFFAOYSA-N | CCSCCC(NC(C)=O)C(=O)O | InChI=1S/C8H15NO3S/c1-3-13-5-4-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12) | ||
| 128443122 | 3549120300 | BVMYLIYGDBEEAX | 178.18 | BVMYLIYGDBEEAX-UHFFFAOYSA-N | FC(F)c1cccc2ccccc12 | InChI=1S/C11H8F2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H | ||
| 28834343 | 3514515517 | BVQAWSJMUYMNQN | 282.31 | BVQAWSJMUYMNQN-UHFFFAOYSA-N | c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 | InChI=1S/C18H10N4/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16/h1-10H | ||
| 102147751 | 3532184908 | BVYHANZXUBVRRV | 463.09 | BVYHANZXUBVRRV-UHFFFAOYSA-N | O=S(=O)(c1ccccc1)n1cc(I)c2cc(Br)cnc21 | InChI=1S/C13H8BrIN2O2S/c14-9-6-11-12(15)8-17(13(11)16-7-9)20(18,19)10-4-2-1-3-5-10/h1-8H | ||
| 135903098 | 998048551 | BWAKMLKESHKOHK | 348.46 | BWAKMLKESHKOHK-UHFFFAOYSA-N | CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc32)CC1 | InChI=1S/C20H29FN2O2/c1-2-3-5-16-8-12-22(13-9-16)10-4-11-23-18-7-6-17(21)14-19(18)25-15-20(23)24/h6-7,14,16H,2-5,8-13,15H2,1H3 | ||
| 27732971 | 390555868 | BWMDMTSNSXYYSP | 101.15 | BWMDMTSNSXYYSP-UHFFFAOYSA-N | CCCNC(=N)N | InChI=1S/C4H11N3/c1-2-3-7-4(5)6/h2-3H2,1H3,(H4,5,6,7) | ||
| 28897823 | 1827701665 | BWNBLGQCCSCCHF | 145.21 | BWNBLGQCCSCCHF-UHFFFAOYSA-N | CCc1cc2ccccc2[nH]1 | InChI=1S/C10H11N/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7,11H,2H2,1H3 | ||
| 28443561 | 239388405 | BWRRWBIBNBVHQF | 233.23 | BWRRWBIBNBVHQF-UHFFFAOYSA-N | O=C(O)CCCc1nc(-c2ccccn2)no1 | InChI=1S/C11H11N3O3/c15-10(16)6-3-5-9-13-11(14-17-9)8-4-1-2-7-12-8/h1-2,4,7H,3,5-6H2,(H,15,16) | ||
| 54512083 | 311764977 | BWYXEHBJIMGDEB | 237.25 | BWYXEHBJIMGDEB-UHFFFAOYSA-N | COc1cc2c(cc1OC)CC(C(=O)O)NC2 | InChI=1S/C12H15NO4/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2/h4-5,9,13H,3,6H2,1-2H3,(H,14,15) | ||
| 34436260 | 12524921 | BXHVBQRYTWNRSK | 218.16 | BXHVBQRYTWNRSK-UHFFFAOYSA-N | O=S(=O)(O)c1ccc(F)c2nonc12 | InChI=1S/C6H3FN2O4S/c7-3-1-2-4(14(10,11)12)6-5(3)8-13-9-6/h1-2H,(H,10,11,12) | ||
| 48709501 | 371598902 | BXYRAPNURYRQSP | 170.22 | BXYRAPNURYRQSP-UHFFFAOYSA-N | Nc1ccc(-c2ccccn2)cc1 | InChI=1S/C11H10N2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,12H2 | ||
| 66469860 | 429322811 | BYAUYVJQTAFGKV | 217.32 | BYAUYVJQTAFGKV-UHFFFAOYSA-N | N=C(N)N1CCC(Cc2ccccc2)CC1 | InChI=1S/C13H19N3/c14-13(15)16-8-6-12(7-9-16)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H3,14,15) | ||
| 116553108 | 1809951698 | BYQHKXISZJLWJG | 249.08 | BYQHKXISZJLWJG-UHFFFAOYSA-N | COC(OC)c1ccc(F)c(Br)c1 | InChI=1S/C9H10BrFO2/c1-12-9(13-2)6-3-4-8(11)7(10)5-6/h3-5,9H,1-2H3 | ||
| 30026349 | 1827714613 | BYTZWANJVUAPNO | 223.49 | BYTZWANJVUAPNO-UHFFFAOYSA-N | O=C(CCl)c1ccc(Cl)c(Cl)c1 | InChI=1S/C8H5Cl3O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2 | ||
| 63966790 | 100617127 | BYXWGMQMUJCYPK | 211.69 | BYXWGMQMUJCYPK-UHFFFAOYSA-N | Clc1cccc(OC2CCNCC2)c1 | InChI=1S/C11H14ClNO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2 | ||
| 27317493 | 1843726806 | BZACBBRLMWHCNM | 132.17 | BZACBBRLMWHCNM-UHFFFAOYSA-N | Cc1cn2ccccc2n1 | InChI=1S/C8H8N2/c1-7-6-10-5-3-2-4-8(10)9-7/h2-6H,1H3 | ||
| 311212539 | 1815885892 | BZYLLSIPXQAKJK | 306.03 | BZYLLSIPXQAKJK-UHFFFAOYSA-N | O=C(O)c1c(F)c(I)nc2[nH]ccc12 | InChI=1S/C8H4FIN2O2/c9-5-4(8(13)14)3-1-2-11-7(3)12-6(5)10/h1-2H,(H,11,12)(H,13,14) | ||
| 68783947 | 638447692 | CAGSEMPCDRYWFN | 207.23 | CAGSEMPCDRYWFN-UHFFFAOYSA-N | O=C1C(O)OCCN1Cc1ccccc1 | InChI=1S/C11H13NO3/c13-10-11(14)15-7-6-12(10)8-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2 | ||
| 28812943 | 61882890 | CAJXYXPLLJDEOB | 478.59 | CAJXYXPLLJDEOB-UHFFFAOYSA-N | CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1 | InChI=1S/C23H38N6O5/c1-14(2)13-19(28-23(32)20(25)15(3)4)22(31)27-18(7-5-6-12-24)21(30)26-16-8-10-17(11-9-16)29(33)34/h8-11,14-15,18-20H,5-7,12-13,24-25H2,1-4H3,(H,26,30)(H,27,31)(H,28,32) | ||
| 28800759 | 249458414 | CAKTVARYLWEKSA | 260.54 | CAKTVARYLWEKSA-UHFFFAOYSA-N | O=C(Cl)OCc1c(F)c(F)c(F)c(F)c1F | InChI=1S/C8H2ClF5O2/c9-8(15)16-1-2-3(10)5(12)7(14)6(13)4(2)11/h1H2 | ||
| 341038437 | 1843698673 | CAQVLZGFRLIJEZ | 290.95 | CAQVLZGFRLIJEZ-UHFFFAOYSA-N | Nc1n[nH]c2cc(Br)cc(Br)c12 | InChI=1S/C7H5Br2N3/c8-3-1-4(9)6-5(2-3)11-12-7(6)10/h1-2H,(H3,10,11,12) | ||
| 128062296 | 159735047 | CAXBASWOHWJJMH | 284.58 | CAXBASWOHWJJMH-UHFFFAOYSA-N | CC(C)c1cc(Cl)c2cc(Br)ccc2n1 | InChI=1S/C12H11BrClN/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12/h3-7H,1-2H3 | ||
| 35264343 | 1827717179 | CAXRPEAFHWDFTD | 235.65 | CAXRPEAFHWDFTD-UHFFFAOYSA-N | O=[N+]([O-])c1ccc(CS(=O)(=O)Cl)cc1 | InChI=1S/C7H6ClNO4S/c8-14(12,13)5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2 | ||
| 27646924 | 3480221630 | CBBKZVZOEBSFQX | 406.31 | CBBKZVZOEBSFQX-UHFFFAOYSA-N | O=C(OCC1c2ccccc2-c2ccccc21)Oc1c(F)c(F)c(F)c(F)c1F | InChI=1S/C21H11F5O3/c22-15-16(23)18(25)20(19(26)17(15)24)29-21(27)28-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2 | ||
| 308291052 | 308291142 | CBCWMRSMUMTGAX | 190.29 | CBCWMRSMUMTGAX-UHFFFAOYSA-N | C=Cc1ccc(CNCCNC)cc1 | InChI=1S/C12H18N2/c1-3-11-4-6-12(7-5-11)10-14-9-8-13-2/h3-7,13-14H,1,8-10H2,2H3 | ||
| 28496821 | 1842717586 | CBDHLEMYIQJYII | 334.98 | CBDHLEMYIQJYII-UHFFFAOYSA-N | O=C(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)no1 | InChI=1S/C11H6BrCl2NO2/c12-5-10(16)11-4-9(15-17-11)6-1-2-7(13)8(14)3-6/h1-4H,5H2 | ||
| 150993938 | 2477290555 | CBFHDOKDFDXNES | 226.63 | CBFHDOKDFDXNES-UHFFFAOYSA-N | O=S(=O)(Cl)Cc1ccc(F)c(F)c1 | InChI=1S/C7H5ClF2O2S/c8-13(11,12)4-5-1-2-6(9)7(10)3-5/h1-3H,4H2 | ||
| 29519394 | 491597497 | CBIAKDAYHRWZCU | 376.21 | CBIAKDAYHRWZCU-UHFFFAOYSA-N | COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC | InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20) | ||
| 30186667 | 514451534 | CBKDCOKSXCTDAA | 138.23 | CBKDCOKSXCTDAA-UHFFFAOYSA-N | c1cc2c(s1)CCCC2 | InChI=1S/C8H10S/c1-2-4-8-7(3-1)5-6-9-8/h5-6H,1-4H2 | ||
| 28453733 | 2185424596 | CBSXUFWMVOAHTK | 177.12 | CBSXUFWMVOAHTK-UHFFFAOYSA-N | OCc1ccc(C(F)(F)F)nc1 | InChI=1S/C7H6F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-3,12H,4H2 | ||
| 28880763 | 1827694233 | CBTITARLOCZPDU | 142.16 | CBTITARLOCZPDU-UHFFFAOYSA-N | N#Cc1cc2ccccc2[nH]1 | InChI=1S/C9H6N2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,11H | ||
| 36123288 | 414387409 | CBVFPRUULJLOTQ | 359.86 | CBVFPRUULJLOTQ-UHFFFAOYSA-N | CCOc1ncccc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 | InChI=1S/C19H22ClN3O2/c1-3-25-18-16(5-4-8-21-18)19(24)23-11-9-22(10-12-23)17-13-15(20)7-6-14(17)2/h4-8,13H,3,9-12H2,1-2H3 | ||
| 28784219 | 3545554634 | CBYDUPRWILCUIC | 126.16 | CBYDUPRWILCUIC-UHFFFAOYSA-N | C#Cc1ccccc1C#C | InChI=1S/C10H6/c1-3-9-7-5-6-8-10(9)4-2/h1-2,5-8H | ||
| 101368502 | 117278516 | CCLGNFZMWMCRCH | 334.42 | CCLGNFZMWMCRCH-UHFFFAOYSA-N | CCOC(=O)c1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 | InChI=1S/C18H26N2O4/c1-5-23-16(21)14-7-6-8-15(13-14)19-9-11-20(12-10-19)17(22)24-18(2,3)4/h6-8,13H,5,9-12H2,1-4H3 | ||
| 39242837 | 360884187 | CCPCQNFDILREJB | 356.01 | CCPCQNFDILREJB-UHFFFAOYSA-N | O=C(Oc1ccccc1Br)c1ccccc1Br | InChI=1S/C13H8Br2O2/c14-10-6-2-1-5-9(10)13(16)17-12-8-4-3-7-11(12)15/h1-8H | ||
| 29547168 | 3548827530 | CCQZKUWBWPJBPY | 227.26 | CCQZKUWBWPJBPY-MRVPVSSYSA-N | CC(C)(C)OC(=O)CC(=O)C[C@H](O)CC#N | InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)7-9(14)6-8(13)4-5-12/h8,13H,4,6-7H2,1-3H3/t8-/m1/s1 | ||
| 27436986 | 320204547 | CCUUWTAPFGOYGQ | 267.29 | CCUUWTAPFGOYGQ-UHFFFAOYSA-N | COC(=O)Nc1c(-c2ccccc2)nc2ccccn12 | InChI=1S/C15H13N3O2/c1-20-15(19)17-14-13(11-7-3-2-4-8-11)16-12-9-5-6-10-18(12)14/h2-10H,1H3,(H,17,19) | ||
| 29366276 | 410485858 | CDBXKLYOJGRINM | 238.2 | CDBXKLYOJGRINM-UHFFFAOYSA-N | CC(NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O | InChI=1S/C10H10N2O5/c1-6(10(14)15)11-9(13)7-3-2-4-8(5-7)12(16)17/h2-6H,1H3,(H,11,13)(H,14,15) | ||
| 28826463 | 1827699923 | CDCARNSWXSXOSR | 180.24 | CDCARNSWXSXOSR-UHFFFAOYSA-N | CCSc1ncc(C#N)c(N)n1 | InChI=1S/C7H8N4S/c1-2-12-7-10-4-5(3-8)6(9)11-7/h4H,2H2,1H3,(H2,9,10,11) | ||
| 28504324 | 311767514 | CDCRUVGWQJYTFO | 175.23 | CDCRUVGWQJYTFO-UHFFFAOYSA-N | COc1ccc(C(C)(C)C#N)cc1 | InChI=1S/C11H13NO/c1-11(2,8-12)9-4-6-10(13-3)7-5-9/h4-7H,1-3H3 | ||
| 187835289 | 3549112576 | CEAMSISEJZMQEP | 148.09 | CEAMSISEJZMQEP-UHFFFAOYSA-N | FC(F)(F)c1cnccn1 | InChI=1S/C5H3F3N2/c6-5(7,8)4-3-9-1-2-10-4/h1-3H | ||
| 344708710 | 1827705119 | CEBUNOCBCPXDNP | 173.01 | CEBUNOCBCPXDNP-UHFFFAOYSA-N | BrCc1cccnn1 | InChI=1S/C5H5BrN2/c6-4-5-2-1-3-7-8-5/h1-3H,4H2 | ||
| 34986648 | 188381208 | CEJKAKCQVUWNNA | 214.65 | CEJKAKCQVUWNNA-UHFFFAOYSA-N | CCC(Oc1ccc(Cl)cc1)C(=O)O | InChI=1S/C10H11ClO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13) | ||
| 28841748 | 372153641 | CELLJWUVMKEJDY | 212.6 | CELLJWUVMKEJDY-UHFFFAOYSA-N | O=S(=O)(Cl)c1cc(F)ccc1F | InChI=1S/C6H3ClF2O2S/c7-12(10,11)6-3-4(8)1-2-5(6)9/h1-3H | ||
| 117838774 | 311766208 | CETLQDSNTJEASI | 235.08 | CETLQDSNTJEASI-UHFFFAOYSA-N | Brc1cccc(-c2ncccn2)c1 | InChI=1S/C10H7BrN2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7H | ||
| 182112180 | 457041999 | CFBUTNFXRFULBP | 280.34 | CFBUTNFXRFULBP-UHFFFAOYSA-N | CC(C)(C)OC(=O)N1CCNC(c2ccc(F)cc2)C1 | InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-8-17-13(10-18)11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3 | ||
| 3424451533 | 3424625435 | CFEHWNSMGUKJEU | 211.26 | CFEHWNSMGUKJEU-UHFFFAOYSA-N | COc1ccc(C(CN)OC)cc1OC | InChI=1S/C11H17NO3/c1-13-9-5-4-8(6-10(9)14-2)11(7-12)15-3/h4-6,11H,7,12H2,1-3H3 | ||
| 243766757 | 3544002519 | CFFQJBHYPFGZLY | 245.02 | CFFQJBHYPFGZLY-UHFFFAOYSA-N | Ic1n[nH]c2cccnc12 | InChI=1S/C6H4IN3/c7-6-5-4(9-10-6)2-1-3-8-5/h1-3H,(H,9,10) | ||
| 27587144 | 3481833859 | CFGQZVOVFIZRMN | 126.11 | CFGQZVOVFIZRMN-UHFFFAOYSA-N | Cc1occc1C(=O)O | InChI=1S/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8) | ||
| 195943285 | 329153956 | CFMMTSSIIJSWNG | 222.47 | CFMMTSSIIJSWNG-UHFFFAOYSA-N | Nc1cc(Cl)c(O)c(Br)c1 | InChI=1S/C6H5BrClNO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2 | ||
| 31123335 | 457031431 | CFPAMJZAMYOJER | 127.04 | CFPAMJZAMYOJER-UHFFFAOYSA-N | N#CC(F)C(F)(F)F | InChI=1S/C3HF4N/c4-2(1-8)3(5,6)7/h2H | ||
| 292783086 | 1815885420 | CFUCDNWBSUCSFQ | 354.5 | CFUCDNWBSUCSFQ-UHFFFAOYSA-N | CC(C)(C)[Si](C)(C)OCC1CCN(c2ccc(C(=O)O)c(F)n2)C1 | InChI=1S/C17H27FN2O3Si/c1-17(2,3)24(4,5)23-11-12-8-9-20(10-12)14-7-6-13(16(21)22)15(18)19-14/h6-7,12H,8-11H2,1-5H3,(H,21,22) | ||
| 536618388 | 3545609055 | CGAMDQCXAAOFSR | 256.69 | CGAMDQCXAAOFSR-UHFFFAOYSA-N | CCCCCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21 | InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17) | ||
| 28512633 | 1827688004 | CGMMPMYKMDITEA | 150.18 | CGMMPMYKMDITEA-UHFFFAOYSA-N | CCc1ccccc1C(=O)O | InChI=1S/C9H10O2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3,(H,10,11) | ||
| 28461570 | 3550829994 | CGMQMZKLIJYAKX | 261.75 | CGMQMZKLIJYAKX-UHFFFAOYSA-N | Cc1c(S(N)(=O)=O)sc2ccc(Cl)cc12 | InChI=1S/C9H8ClNO2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3,(H2,11,12,13) | ||
| 34750885 | 249340452 | CGOGFZVEMXOBMD | 399.45 | CGOGFZVEMXOBMD-UHFFFAOYSA-N | Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)C2c2cccnc2)c1 | InChI=1S/C24H21N3O3/c1-15-7-8-16(2)19(11-15)22(28)20-21(18-6-4-10-26-13-18)27(24(30)23(20)29)14-17-5-3-9-25-12-17/h3-13,20-21H,14H2,1-2H3 | ||
| 27086940 | 2885819767 | CGRCVIZBNRUWLY | 319.38 | CGRCVIZBNRUWLY-UHFFFAOYSA-N | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)O)cc1 | InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19) | ||
| 184969580 | 3518533390 | CGVJUVQHBWCVFC | 265.05 | CGVJUVQHBWCVFC-UHFFFAOYSA-N | COc1cc(I)cnc1OC | InChI=1S/C7H8INO2/c1-10-6-3-5(8)4-9-7(6)11-2/h3-4H,1-2H3 | ||
| 30187994 | 187804191 | CGZQZQJXCXOPDW | 185.19 | CGZQZQJXCXOPDW-UHFFFAOYSA-N | O=c1cc[nH]c2nc3ccccc3n12 | InChI=1S/C10H7N3O/c14-9-5-6-11-10-12-7-3-1-2-4-8(7)13(9)10/h1-6H,(H,11,12) | ||
| 129484065 | 320617463 | CHPNPFRWYMETGD | 234.3 | CHPNPFRWYMETGD-UHFFFAOYSA-N | NC1CCN(Cc2ccc3c(c2)OCO3)CC1 | InChI=1S/C13H18N2O2/c14-11-3-5-15(6-4-11)8-10-1-2-12-13(7-10)17-9-16-12/h1-2,7,11H,3-6,8-9,14H2 | ||
| 28667783 | 3549110085 | CHPVQLYVDDOWNT | 160.18 | CHPVQLYVDDOWNT-UHFFFAOYSA-N | Cn1c(=O)cnc2ccccc21 | InChI=1S/C9H8N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-6H,1H3 | ||
| 188908686 | 245490955 | CICFTLHOMUTOBN | 204.04 | CICFTLHOMUTOBN-UHFFFAOYSA-N | CNc1cc(Br)ccc1F | InChI=1S/C7H7BrFN/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,1H3 | ||
| 29529242 | 3545555213 | CIEAUFSGHUWAMC | 248.28 | CIEAUFSGHUWAMC-UHFFFAOYSA-N | COc1ccc2[nH]c(O)c(CCNC(C)=O)c2c1 | InChI=1S/C13H16N2O3/c1-8(16)14-6-5-10-11-7-9(18-2)3-4-12(11)15-13(10)17/h3-4,7,15,17H,5-6H2,1-2H3,(H,14,16) | ||
| 154401733 | 457034661 | CIICCQLUDZKLTP | 191.62 | CIICCQLUDZKLTP-UHFFFAOYSA-N | O=Cc1ccc2ccnc(Cl)c2c1 | InChI=1S/C10H6ClNO/c11-10-9-5-7(6-13)1-2-8(9)3-4-12-10/h1-6H | ||
| 48709336 | 3518523945 | CIKQIWYGYUILOL | 254.46 | CIKQIWYGYUILOL-UHFFFAOYSA-N | Nc1cc(I)cnc1Cl | InChI=1S/C5H4ClIN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2 | ||
| 34436419 | 3544651188 | CIMXGTDNUHWJCZ | 224.3 | CIMXGTDNUHWJCZ-UHFFFAOYSA-N | CCCCCC/C=C/CC1CC(=O)OC1=O | InChI=1S/C13H20O3/c1-2-3-4-5-6-7-8-9-11-10-12(14)16-13(11)15/h7-8,11H,2-6,9-10H2,1H3 | ||
| 341087516 | 3544011204 | CIOJXZMVRSZZAL | 204.02 | CIOJXZMVRSZZAL-UHFFFAOYSA-N | COc1cnc(Br)cc1O | InChI=1S/C6H6BrNO2/c1-10-5-3-8-6(7)2-4(5)9/h2-3H,1H3,(H,8,9) | ||
| 34698015 | 2885832332 | CISXRFRLKWCFJS | 190.12 | CISXRFRLKWCFJS-UHFFFAOYSA-N | Cc1c(F)c(F)cc(C(=O)O)c1F | InChI=1S/C8H5F3O2/c1-3-6(10)4(8(12)13)2-5(9)7(3)11/h2H,1H3,(H,12,13) | ||
| 258871385 | 412123853 | CJDKVEWDWXIBSM | 357.35 | CJDKVEWDWXIBSM-DTWKUNHWSA-N | CC(C)(C)OC(=O)N1[C@@H]2C=C(OS(=O)(=O)C(F)(F)F)C[C@H]1CC2 | InChI=1S/C13H18F3NO5S/c1-12(2,3)21-11(18)17-8-4-5-9(17)7-10(6-8)22-23(19,20)13(14,15)16/h6,8-9H,4-5,7H2,1-3H3/t8-,9+/m0/s1 | ||
| 28666921 | 3518526161 | CJEWCWSWUUFORD | 203 | CJEWCWSWUUFORD-UHFFFAOYSA-N | O=[N+]([O-])c1ccncc1Br | InChI=1S/C5H3BrN2O2/c6-4-3-7-2-1-5(4)8(9)10/h1-3H | ||
| 34439847 | 3481813040 | CJHWFIUASFBCKN | 466.67 | CJHWFIUASFBCKN-ZRJUGLEFSA-N | COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NCCCCCCN3C(=O)CCC3=O)CC[C@@H]12 | InChI=1S/C29H42N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,19,23-26,30H,3-7,9,11-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1 | ||
| 242941496 | 2185461418 | CJNPEPJBIHGEMU | 324.45 | CJNPEPJBIHGEMU-UHFFFAOYSA-L | O=P([O-])([O-])Oc1c[nH]c2cc(Cl)c(Br)cc12 | InChI=1S/C8H6BrClNO4P/c9-5-1-4-7(2-6(5)10)11-3-8(4)15-16(12,13)14/h1-3,11H,(H2,12,13,14)/p-2 | ||
| 135731636 | 245493634 | CJVMYPHDEMEFEM | 163.15 | CJVMYPHDEMEFEM-UHFFFAOYSA-N | Oc1ccc2cc(F)ccc2n1 | InChI=1S/C9H6FNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12) |
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