probeid name_show type pubchemid cmpdsynonym mw mf polararea complexity xlogp heavycnt hbonddonor hbondacc rotbonds inchi isosmiles canonicalsmiles inchikey iupacname LDPC0223 Hsieh_2 ABPP Probe 166652286 SCHEMBL23645878 502.6 C31H26N4O3 85.2 879 4.5 38 2 4 9 InChI=1S/C31H26N4O3/c1-4-20-38-28-17-10-23(11-18-28)22-6-8-24(9-7-22)29-21-26(14-19-31(37)32-3)34-35(29)27-15-12-25(13-16-27)33-30(36)5-2/h1-2,6-13,15-18,21H,14,19-20H2,3H3,(H,32,37)(H,33,36) CNC(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC#C)C4=CC=C(C=C4)NC(=O)C#C CNC(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC#C)C4=CC=C(C=C4)NC(=O)C#C PBZVMJKEJBZODL-UHFFFAOYSA-N N-methyl-3-[5-[4-(4-prop-2-ynoxyphenyl)phenyl]-1-[4-(prop-2-ynoylamino)phenyl]pyrazol-3-yl]propanamide LDPC0041 BDBM50514113 ABPP Probe 146013528 CHEMBL4593739; BDBM50514113; 4-(2-Chloroacetyl)-N-(4-ethynylbenzyl)-1-methyl-1H-pyrrole-2-carboxamide 314.8 C17H15ClN2O2 51.1 463 2.3 22 1 2 6 InChI=1S/C17H15ClN2O2/c1-3-12-4-6-13(7-5-12)10-19-17(22)15-8-14(11-20(15)2)16(21)9-18/h1,4-8,11H,9-10H2,2H3,(H,19,22) CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)C#C)C(=O)CCl CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)C#C)C(=O)CCl MLOJTJXDYQBQRB-UHFFFAOYSA-N 4-(2-chloroacetyl)-N-[(4-ethynylphenyl)methyl]-1-methylpyrrole-2-carboxamide LDPC0001 aHNE ABPP Probe 71684698 1011268-23-7; (E)-4-Hydroxynon-2-en-8-ynal; 4-hydroxy Nonenal Alkyne; 4-Hydroxynonenal alkyne; (2E)-4-HYDROXYNON-2-EN-8-YNAL; Alkynyl 4-hydroxy-2-nonenal; AKOS040754962; BP-22691; PD021450; HY-113803; CS-0062904 152.19 C9H12O2 37.3 173 0.6 11 1 2 5 InChI=1S/C9H12O2/c1-2-3-4-6-9(11)7-5-8-10/h1,5,7-9,11H,3-4,6H2/b7-5+ C#CCCCC(/C=C/C=O)O C#CCCCC(C=CC=O)O RXECVCDYORIBBT-FNORWQNLSA-N (E)-4-hydroxynon-2-en-8-ynal LDPC0002 aONE ABPP Probe 91757770 4-Oxo-2-Nonenal Alkyne; (E)-4-Oxonon-2-en-8-ynal; 1680193-58-1; 4-Oxo-2-NonenalAlkyne; Alkynyl 4-oxo-2-nonenal; (2E)-4-OXONON-2-EN-8-YNAL; BP-22692; HY-116879; CS-0066735 150.17 C9H10O2 34.1 205 0.5 11 0 2 5 InChI=1S/C9H10O2/c1-2-3-4-6-9(11)7-5-8-10/h1,5,7-8H,3-4,6H2/b7-5+ C#CCCCC(=O)/C=C/C=O C#CCCCC(=O)C=CC=O YSPMTKWXGONLQR-FNORWQNLSA-N (E)-4-oxonon-2-en-8-ynal LDPC0003 Alkyne tyramide ABPP Probe 108021005 Alkyne tyramide; 1694495-59-4; N-[2-(4-hydroxyphenyl)ethyl]pent-4-ynamide; N-(4-Hydroxyphenethyl)pent-4-ynamide; Alkyne-tyramide; SCHEMBL26268646; AKOS040759811; MS-23195; HY-131442; CS-0134719; G17521 217.26 C13H15NO2 49.3 258 1.7 16 2 2 5 InChI=1S/C13H15NO2/c1-2-3-4-13(16)14-10-9-11-5-7-12(15)8-6-11/h1,5-8,15H,3-4,9-10H2,(H,14,16) C#CCCC(=O)NCCC1=CC=C(C=C1)O C#CCCC(=O)NCCC1=CC=C(C=C1)O CQZJBJSXQYZLEX-UHFFFAOYSA-N N-[2-(4-hydroxyphenyl)ethyl]pent-4-ynamide LDPC0004 BTD ABPP Probe 155551901 CHEMBL4569928; 1-(Pent-4-yn-1-yl)1H-benzo[c][1,2]thiazin-4(3H)-on-2,2-dioxid 263.31 C13H13NO3S 62.8 468 1.6 18 0 4 3 InChI=1S/C13H13NO3S/c1-2-3-6-9-14-12-8-5-4-7-11(12)13(15)10-18(14,16)17/h1,4-5,7-8H,3,6,9-10H2 C#CCCCN1C2=CC=CC=C2C(=O)CS1(=O)=O C#CCCCN1C2=CC=CC=C2C(=O)CS1(=O)=O GSSKUKMXWRNMFK-UHFFFAOYSA-N 2,2-dioxo-1-pent-4-ynyl-2lambda6,1-benzothiazin-4-one LDPC0005 IPM ABPP Probe 58992338 2-iodo-N-(prop-2-yn-1-yl)acetamide; 1010386-64-7; 2-iodo-N-prop-2-ynylacetamide; IA-alkyne(Pr); SCHEMBL2026442; 2-Iodo-N-prop-2-ynyl-acetamide; GLXC-26734; MFCD20414752; AKOS014117575; CS-0235968; G74149; EN300-1659582 223.01 C5H6INO 29.1 124 0.3 8 1 1 2 InChI=1S/C5H6INO/c1-2-3-7-5(8)4-6/h1H,3-4H2,(H,7,8) C#CCNC(=O)CI C#CCNC(=O)CI CSMMHDBFJDWUDO-UHFFFAOYSA-N 2-iodo-N-prop-2-ynylacetamide LDPC0006 ENE ABPP Probe 24776159 Oct-1-en-7-yn-3-one 122.16 C8H10O 17.1 147 1.4 9 0 1 4 InChI=1S/C8H10O/c1-3-5-6-7-8(9)4-2/h1,4H,2,5-7H2 C=CC(=O)CCCC#C C=CC(=O)CCCC#C XBMXBKKGQDPODH-UHFFFAOYSA-N oct-1-en-7-yn-3-one LDPC0007 VSF ABPP Probe . . 158.222 C7H10O2S 34.14 158.0401506 0.9581 10 0 2 4 InChI=1S/C7H10O2S/c1-3-5-6-7-10(8,9)4-2/h1,4H,2,5-7H2 C#CCCCS(=O)(=O)C=C C#CCCCS(=O)(=O)C=C SPQKVEMIXNZJRB-UHFFFAOYSA-N . LDPC0008 PPMS ABPP Probe 29986572 . 150.2 C4H6O2S2 67.8 188 0.2 8 0 3 2 InChI=1S/C4H6O2S2/c1-3-4-7-8(2,5)6/h1H,4H2,2H3 CS(=O)(=O)SCC#C CS(=O)(=O)SCC#C BLCBCXUNFGTUJI-UHFFFAOYSA-N 3-methylsulfonylsulfanylprop-1-yne LDPC0009 STPyne ABPP Probe 91757886 Pentynoic acid STP ester; 1807530-14-8; BP-22525; Sodium 2,3,5,6-tetrafluoro-4-(pent-4-ynoyloxy)benzenesulfonate 348.2 C11H5F4NaO5S 91.9 526 . 22 0 9 5 InChI=1S/C11H6F4O5S.Na/c1-2-3-4-5(16)20-10-6(12)8(14)11(21(17,18)19)9(15)7(10)13;/h1H,3-4H2,(H,17,18,19);/q;+1/p-1 C#CCCC(=O)OC1=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F.[Na+] C#CCCC(=O)OC1=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F.[Na+] QVSTTZKAIDTZNG-UHFFFAOYSA-M sodium;2,3,5,6-tetrafluoro-4-pent-4-ynoyloxybenzenesulfonate LDPC0010 NHS ABPP Probe 59805478 5-Hexynoic NHS Ester; 906564-59-8; Propargyl-C2-NHS ester; 2,5-dioxopyrrolidin-1-yl hex-5-ynoate; Alkyne NHS ester (hexynoic acid NHS ester); 5-hexynoic acid NHS ester; 5-Hexynoic Acid-NHS Ester; 5-Hexynoic acid, 2,5-dioxo-1-pyrrolidinyl ester; 5-HexynoicNHSEster; 5-exynoic acid NHS ester; N-succinimidyl 5-hexynoate; SCHEMBL1700762; AMY27299; MFCD28898858; AKOS032946545; BP-24461; MS-23146; PD125939; (2,5-dioxopyrrolidin-1-yl) hex-5-ynoate; HY-126512; CS-0105050; F71730; A903912; Hex-5-ynoic acid 2,5-dioxo-pyrrolidin-1-yl ester; R01-0002 209.2 C10H11NO4 63.7 323 0.1 15 0 4 5 InChI=1S/C10H11NO4/c1-2-3-4-5-10(14)15-11-8(12)6-7-9(11)13/h1H,3-7H2 C#CCCCC(=O)ON1C(=O)CCC1=O C#CCCCC(=O)ON1C(=O)CCC1=O CXSSWEBEHUYETJ-UHFFFAOYSA-N (2,5-dioxopyrrolidin-1-yl) hex-5-ynoate LDPC0011 Diazir PAL-AfBPP Probe 118987360 1450754-41-2; 2-(3-but-3-ynyl-3H-diazirin-3-yl)-ethanol; 3-(3-Butyn-1-yl)-3H-diazirine-3-ethanol; 2-(3-but-3-ynyldiazirin-3-yl)ethanol; MFCD29918290; 2-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)ethan-1-ol; 3H-Diazirine-3-ethanol, 3-(3-butyn-1-yl)-; 2-[3-(but-3-yn-1-yl)-3H-diazirin-3-yl]ethan-1-ol; 3-(3-Butynyl)-3H-diazirine-3-ethanol; SCHEMBL20680946; DTXSID801278943; AKOS026720521; DS-19296; SY106324; DB-121580; CS-0106038; 2-(3-But-3-ynyl-3H-diazirin-3-yl)ethanol; EN300-227135; N11436; A920636; 2-[3-(BUT-3-YN-1-YL)DIAZIRIN-3-YL]ETHANOL; 2-(3-But-3-ynyl-3H-diazirin-3-yl)-ethanol, >=95%; F2197-0240; Z1898593365 138.17 C7H10N2O 45 183 0.8 10 1 3 4 InChI=1S/C7H10N2O/c1-2-3-4-7(5-6-10)8-9-7/h1,10H,3-6H2 C#CCCC1(N=N1)CCO C#CCCC1(N=N1)CCO NMIZSJAOOMXKDJ-UHFFFAOYSA-N 2-(3-but-3-ynyldiazirin-3-yl)ethanol LDPC0012 HRP ABPP Probe 90319659 SCHEMBL15924294 233.26 C13H15NO3 69.6 294 -0.2 17 3 3 5 InChI=1S/C13H15NO3/c1-2-3-4-13(17)14-8-7-10-5-6-11(15)12(16)9-10/h1,5-6,9,15-16H,3-4,7-8H2,(H,14,17) C#CCCC(=O)NCCC1=CC(=C(C=C1)O)O C#CCCC(=O)NCCC1=CC(=C(C=C1)O)O QTFKCGYVLHYGNP-UHFFFAOYSA-N N-[2-(3,4-dihydroxyphenyl)ethyl]pent-4-ynamide LDPC0013 Dyn-2 ABPP Probe 53488202 DYn-2; 1354630-46-8; 4-(Pent-4-yn-1-yl)cyclohexane-1,3-dione; ANTI-DYNAMIN II; 4-pent-4-ynylcyclohexane-1,3-dione; CHEMBL4520299; SCHEMBL15782162; AKOS040756379; HY-116424; CS-0065449; EN300-20983758 178.23 C11H14O2 34.1 257 1.5 13 0 2 3 InChI=1S/C11H14O2/c1-2-3-4-5-9-6-7-10(12)8-11(9)13/h1,9H,3-8H2 C#CCCCC1CCC(=O)CC1=O C#CCCCC1CCC(=O)CC1=O UNMICBPHYXLMRA-UHFFFAOYSA-N 4-pent-4-ynylcyclohexane-1,3-dione LDPC0014 WYneC ABPP Probe 131719442 GZOJNGHPVJJRIK-UHFFFAOYSA-N; (3-Butinyl)-carbonylmethylenetriphenyl phosphorane 356.4 C24H21OP 17.1 496 4.1 26 0 1 6 InChI=1S/C24H21OP/c1-2-3-13-21(25)20-26(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h1,4-12,14-20H,3,13H2 C#CCCC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 C#CCCC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 GZOJNGHPVJJRIK-UHFFFAOYSA-N 1-(triphenyl-lambda5-phosphanylidene)hex-5-yn-2-one LDPC0015 LD-F PAL-AfBPP Probe 170459497 FFF-34 386.5 C24H26N4O 57.1 609 3.7 29 1 4 9 InChI=1S/C24H26N4O/c1-2-3-14-24(26-27-24)15-16-25-23(29)21-17-28(18-21)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h1,4-13,21-22H,3,14-18H2,(H,25,29) C#CCCC1(N=N1)CCNC(=O)C2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4 C#CCCC1(N=N1)CCNC(=O)C2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4 UDMXAOCUXYXPSG-UHFFFAOYSA-N 1-benzhydryl-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]azetidine-3-carboxamide LDPC0016 NPM ABPP Probe 10214393 209395-32-4; N-propargylmaleimide; 1-(prop-2-yn-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione; 1H-Pyrrole-2,5-dione,1-(2-propynyl)-(9CI); 1-prop-2-ynylpyrrole-2,5-dione; 1-(prop-2-yn-1-yl)-1H-pyrrole-2,5-dione; n-propargyl maleimide; N-Propargyl-maleimide; 1-(2-Propyn-1-yl)-1H-pyrrole-2,5-dione; SCHEMBL379033; OBYJFWVFCFYKNY-UHFFFAOYSA-N; MFCD12090919; AKOS009808459; MCULE-7990670928; BS-13280; DB-115763; CS-0216479; P2139; EN300-44468; A12257; 1-(PROP-2-YN-1-YL)PYRROLE-2,5-DIONE; Z440631924 135.12 C7H5NO2 37.4 238 0.4 10 0 2 1 InChI=1S/C7H5NO2/c1-2-5-8-6(9)3-4-7(8)10/h1,3-4H,5H2 C#CCN1C(=O)C=CC1=O C#CCN1C(=O)C=CC1=O OBYJFWVFCFYKNY-UHFFFAOYSA-N 1-prop-2-ynylpyrrole-2,5-dione LDPC0017 PF-06672131 ABPP Probe 74766100 (E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(prop-2-yn-1-yloxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide; PF-06672131, >=95% (HPLC); 1621002-27-4 453.9 C23H21ClFN5O2 79.4 699 3.7 32 2 7 8 InChI=1S/C23H21ClFN5O2/c1-4-10-32-21-13-19-16(12-20(21)29-22(31)6-5-9-30(2)3)23(27-14-26-19)28-15-7-8-18(25)17(24)11-15/h1,5-8,11-14H,9-10H2,2-3H3,(H,29,31)(H,26,27,28)/b6-5+ CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCC#C CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCC#C XZAHPCGWUZFHBI-AATRIKPKSA-N (E)-N-[4-(3-chloro-4-fluoroanilino)-7-prop-2-ynoxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide LDPC0018 Phosphinate-6 ABPP Probe 166084466 . 142.09 C6H7O2P 26.3 204 0.5 9 0 2 2 InChI=1S/C6H7O2P/c1-4-8-9(7,5-2)6-3/h2-3H,4H2,1H3 CCOP(=O)(C#C)C#C CCOP(=O)(C#C)C#C ZUTIVNFOYAYLRE-UHFFFAOYSA-N 1-diethynylphosphoryloxyethane LDPC0019 Photocelecoxib PAL-AfBPP Probe 146523986 SCHEMBL21903479; PHYDUMPHHQCVBS-UHFFFAOYSA-N; 4-[5-[2-(3-But-3-ynyldiazirin-3-yl)ethoxy]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide 427.4 C17H16F3N5O3S 120 759 2.9 29 1 10 8 InChI=1S/C17H16F3N5O3S/c1-2-3-8-16(23-24-16)9-10-28-15-11-14(17(18,19)20)22-25(15)12-4-6-13(7-5-12)29(21,26)27/h1,4-7,11H,3,8-10H2,(H2,21,26,27) C#CCCC1(N=N1)CCOC2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F C#CCCC1(N=N1)CCOC2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F PHYDUMPHHQCVBS-UHFFFAOYSA-N 4-[5-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide LDPC0020 TM-F PAL-AfBPP Probe . . 358.445 C22H22N4O 48.27 358.1793613 2.9615 27 0 4 7 InChI=1S/C22H22N4O/c1-2-13-25(16-20-23-24-20)22(27)19-14-26(15-19)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h1,3-12,19-21H,13-16H2 C#CCN(CC1N=N1)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 C#CCN(CC1N=N1)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 XSDFVIIHRGLTET-UHFFFAOYSA-N . LDPC0021 WYneN ABPP Probe . . 357.393 C23H20NOP 29.1 357.1282509 2.5321 26 1 1 5 InChI=1S/C23H20NOP/c1-2-18-24-23(25)19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h1,3-17,19H,18H2,(H,24,25) [H]C#CC([H])([H])N([H])C(=O)C([H])=P(c1c([H])c([H])c([H])c([H])c1[H])(c1c([H])c([H])c([H])c([H])c1[H])c1c([H])c([H])c([H])c([H])c1[H] [H]C#CC([H])([H])N([H])C(=O)C([H])=P(c1c([H])c([H])c([H])c([H])c1[H])(c1c([H])c([H])c([H])c([H])c1[H])c1c([H])c([H])c([H])c([H])c1[H] FBCRXMPOAOVCTO-UHFFFAOYSA-N . LDPC0022 WYneO ABPP Probe 85822756 . 358.4 C23H19O2P 26.3 500 4.1 26 0 2 6 InChI=1S/C23H19O2P/c1-2-18-25-23(24)19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h1,3-17,19H,18H2 C#CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 C#CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 NDVBBCMLDCYCQD-UHFFFAOYSA-N prop-2-ynyl 2-(triphenyl-lambda5-phosphanylidene)acetate LDPC0024 BD-F PAL-AfBPP Probe . . 386.499 C24H26N4O 48.27 386.2106615 3.7417 29 0 4 8 InChI=1S/C24H26N4O/c1-3-15-27(16-14-24(2)25-26-24)23(29)21-17-28(18-21)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h1,4-13,21-22H,14-18H2,2H3 C#CCN(CCC1(C)N=N1)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 C#CCN(CCC1(C)N=N1)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 RQYRZRPMFZQXCX-UHFFFAOYSA-N . LDPC0026 JW-RF-010 ABPP Probe 122214082 . 341.1 C11H8IN3O2 40.7 419 4.1 17 0 4 3 InChI=1S/C11H8IN3O2/c13-15-14-8-4-3-7-12-10-6-2-1-5-9(10)11(16)17-12/h1-2,5-6H,4,8H2 C1=CC=C2C(=C1)C(=O)OI2C#CCCN=[N+]=[N-] C1=CC=C2C(=C1)C(=O)OI2C#CCCN=[N+]=[N-] ITKZEYJLTXJYBM-UHFFFAOYSA-N 1-(4-azidobut-1-ynyl)-1lambda3,2-benziodoxol-3-one LDPC0027 TFBX ABPP Probe 140959280 . 431.17 C13H14F4IN3O 23.6 468 5.5 22 0 7 5 InChI=1S/C13H14F4IN3O/c1-11(2)9-5-3-4-6-10(9)18(22-11)13(16,17)12(14,15)7-8-20-21-19/h3-6H,7-8H2,1-2H3 CC1(C2=CC=CC=C2I(O1)C(C(CCN=[N+]=[N-])(F)F)(F)F)C CC1(C2=CC=CC=C2I(O1)C(C(CCN=[N+]=[N-])(F)F)(F)F)C PIIOLZREZZEILU-UHFFFAOYSA-N 1-(4-azido-1,1,2,2-tetrafluorobutyl)-3,3-dimethyl-1lambda3,2-benziodoxole LDPC0028 SF ABPP Probe 139207994 SCHEMBL22558330 241.24 C10H8FNO3S 71.6 396 1.1 16 1 4 3 InChI=1S/C10H8FNO3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13) C#CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)F C#CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)F IQVNNMXOWXIECE-UHFFFAOYSA-N 4-(prop-2-ynylcarbamoyl)benzenesulfonyl fluoride LDPC0029 OSF ABPP Probe . . 257.242 C10H8FNO4S 72.47 257.015807 0.6427 17 1 4 4 InChI=1S/C10H8FNO4S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16-17(11,14)15/h1,3-6H,7H2,(H,12,13) C#CCNC(=O)c1ccc(OS(=O)(=O)F)cc1 C#CCNC(=O)c1ccc(OS(=O)(=O)F)cc1 DUCQRZOXEFQXMZ-UHFFFAOYSA-N . LDPC0030 IPIAA_H ABPP Probe . . 269.0771663 C8H12INO 20.31 269.0127033 1.2916 11 0 1 3 InChI=1S/C8H12INO/c1-4-5-10(7(2)3)8(11)6-9/h1,7H,5-6H2,2-3H3/i2+1,3+1,7+1D [2H][13C]([13CH3])([13CH3])N(CC#C)C(=O)CI [H]C(C)(C)N(CC#C)C(=O)CI VAPCCLPJHUUIPR-PZZZPEAOSA-N . LDPC0031 IPIAA_L ABPP Probe . . 251.067 C7H10INO 20.31 250.9807119 1.885 10 0 1 2 InChI=1S/C7H10INO/c1-4-5-9(6(2)3)7(8)10/h1,6H,5H2,2-3H3 [H]C(C)(C)N(CC#C)C(=O)I [H]C(C)(C)N(CC#C)C(=O)I HENPLZIOFRDZED-UHFFFAOYSA-N . LDPC0032 IA-alkyne ABPP Probe 44448710 N-Hex-5-ynyl-2-iodo-acetamide; IA-alkyne; 930800-38-7; N-hex-5-ynyl-2-iodoacetamide; CHEMBL257362; MFCD18839149; N-(HEX-5-YN-1-YL)-2-IODOACETAMIDE; Iodoacetamide-alkyne;N-Hex-5-ynyl-2-iodo-acetamide; C8H12INO; SCHEMBL15159482; BDBM50376513; AKOS026672328; AS-60028; HY-136205; CS-0120600; E73985 265.09 C8H12INO 29.1 159 1.5 11 1 1 5 InChI=1S/C8H12INO/c1-2-3-4-5-6-10-8(11)7-9/h1H,3-7H2,(H,10,11) C#CCCCCNC(=O)CI C#CCCCCNC(=O)CI YCRUVTMZPHEOAM-UHFFFAOYSA-N N-hex-5-ynyl-2-iodoacetamide LDPC0034 2PCA ABPP Probe 14273 . 431.562 C21H29N5O3S 94.64 431.1991108 1.2641 30 2 6 8 InChI=1S/C21H29N5O3S/c27-13-16-5-3-4-15(22-16)12-25-8-10-26(11-9-25)19(28)7-2-1-6-18-20-17(14-30-18)23-21(29)24-20/h3-5,13,17-18,20H,1-2,6-12,14H2,(H2,23,24,29)/t17-,18-,20-/m0/s1 O=Cc1cccc(CN2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC2)n1 O=Cc1cccc(CN2CCN(C(=O)CCCCC3SCC4NC(=O)NC43)CC2)n1 YXEGJJGSBFDZHN-BJLQDIEVSA-N . LDPC0035 ATP probe ABPP Probe . . 545.231 C13H18N5O13P3 265.14 545.0113955 -1.1661 34 7 14 10 InChI=1S/C13H18N5O13P3/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(20)9(19)7(29-13)4-28-33(24,25)31-34(26,27)30-32(21,22)23/h1,5-7,9-10,13,19-20H,3-4H2,(H,24,25)(H,26,27)(H,14,15,16)(H2,21,22,23)/t7-,9+,10?,13-/m1/s1 C#CCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)C1O C#CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O MUOIWXPACQCYQC-ZIUXOXTBSA-N . LDPC0037 Lodoacetamide azide ABPP Probe 22631550 iodoacetamide azide; BP-28101 268.06 C5H9IN4O 43.5 166 1.5 11 1 3 5 InChI=1S/C5H9IN4O/c6-4-5(11)8-2-1-3-9-10-7/h1-4H2,(H,8,11) C(CNC(=O)CI)CN=[N+]=[N-] C(CNC(=O)CI)CN=[N+]=[N-] QFEQUQOYWKZOOV-UHFFFAOYSA-N N-(3-azidopropyl)-2-iodoacetamide LDPC0038 4-Iodoacetamidophenylacetylene ABPP Probe 102464787 4-iodoacetamidophenylacetylene 285.08 C10H8INO 29.1 222 2 13 1 1 3 InChI=1S/C10H8INO/c1-2-8-3-5-9(6-4-8)12-10(13)7-11/h1,3-6H,7H2,(H,12,13) C#CC1=CC=C(C=C1)NC(=O)CI C#CC1=CC=C(C=C1)NC(=O)CI PWNLVOSIIPHONC-UHFFFAOYSA-N N-(4-ethynylphenyl)-2-iodoacetamide LDPC0039 8RK64 ABPP Probe 162677482 8RK64; CHEMBL4802050; GLXC-25767; 8RK-64; BDBM50589875; PD158481; HY-148254; CS-0617269; (S)-N-(5-(2-Azidoacetyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)-1-cyanopyrrolidine-3-carboxamide 360.4 C14H16N8O2S 132 642 1.4 25 1 8 4 InChI=1S/C14H16N8O2S/c15-8-21-3-1-9(6-21)13(24)19-14-18-10-2-4-22(7-11(10)25-14)12(23)5-17-20-16/h9H,1-7H2,(H,18,19,24)/t9-/m0/s1 C1CN(C[C@H]1C(=O)NC2=NC3=C(S2)CN(CC3)C(=O)CN=[N+]=[N-])C#N C1CN(CC1C(=O)NC2=NC3=C(S2)CN(CC3)C(=O)CN=[N+]=[N-])C#N KIWKRCCIHSGWQS-VIFPVBQESA-N (3S)-N-[5-(2-azidoacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-cyanopyrrolidine-3-carboxamide LDPC0040 IMP-1710 ABPP Probe 156588934 IMP-1710; 2383117-96-0; (2S)-2-[[4-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]carbonyl]-1-pyrrolidinecarbonitrile; (2S)-2-[4-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile; AKOS040755923; TS-08879; HY-138995; CS-0173655 381.4 C23H19N5O 76 749 3.4 29 1 4 3 InChI=1S/C23H19N5O/c1-2-15-11-18-19(13-26-22(18)25-12-15)16-5-3-6-20-17(16)8-10-28(20)23(29)21-7-4-9-27(21)14-24/h1,3,5-6,11-13,21H,4,7-10H2,(H,25,26)/t21-/m0/s1 C#CC1=CC2=C(NC=C2C3=C4CCN(C4=CC=C3)C(=O)[C@@H]5CCCN5C#N)N=C1 C#CC1=CC2=C(NC=C2C3=C4CCN(C4=CC=C3)C(=O)C5CCCN5C#N)N=C1 FYMVGXGSNIVSKY-NRFANRHFSA-N (2S)-2-[4-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile LDPC0042 Sulforaphane-probe2 ABPP Probe . . 257.355 C12H19NO3S 54.45 257.1085645 1.5695 17 0 3 7 InChI=1S/C12H19NO3S/c1-4-9-13(12(15)17(16)5-2)10-7-6-8-11(3)14/h1H,5-10H2,2-3H3 C#CCN(CCCCC(C)=O)C(=O)S(=O)CC C#CCN(CCCCC(C)=O)C(=O)S(=O)CC KPSPABANVGIZIA-UHFFFAOYSA-N . LDPC0043 TG42 ABPP Probe 155531789 CHEMBL4466041; BDBM50502333 394.4 C24H14N2O4 78.4 667 4.7 30 0 6 6 InChI=1S/C24H14N2O4/c1-2-20-19(23-18-6-4-3-5-15(18)9-12-21(23)30-20)13-22(27)29-17-10-7-16(8-11-17)24-26-25-14-28-24/h1,3-12,14H,13H2 C#CC1=C(C2=C(O1)C=CC3=CC=CC=C32)CC(=O)OC4=CC=C(C=C4)C5=NN=CO5 C#CC1=C(C2=C(O1)C=CC3=CC=CC=C32)CC(=O)OC4=CC=C(C=C4)C5=NN=CO5 JIOJOUNXAWDVTH-UHFFFAOYSA-N [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-ethynylbenzo[e][1]benzofuran-1-yl)acetate LDPC0046 OEA-DA PAL-AfBPP Probe 122553576 SCHEMBL18092628 347.5 C20H33N3O2 74 471 4.1 25 2 4 16 InChI=1S/C20H33N3O2/c1-2-3-12-15-20(22-23-20)16-13-10-8-6-4-5-7-9-11-14-19(25)21-17-18-24/h1,8,10,24H,3-7,9,11-18H2,(H,21,25)/b10-8- C#CCCCC1(N=N1)CC/C=C\CCCCCCCC(=O)NCCO C#CCCCC1(N=N1)CCC=CCCCCCCCC(=O)NCCO PUDFKDIFZGVKEO-NTMALXAHSA-N (Z)-N-(2-hydroxyethyl)-12-(3-pent-4-ynyldiazirin-3-yl)dodec-9-enamide LDPC0048 MCL-2 ABPP Probe . . 687.944 C37H57N3O7S 143.06 687.3917222 5.6202 48 4 8 18 InChI=1S/C37H57N3O7S/c1-23-18-19-25-24(2)35(43)47-34(25)32-31(23)27(21-37(32,3)45)46-30(42)17-11-9-7-5-4-6-8-10-14-20-38-29(41)16-13-12-15-28-33-26(22-48-28)39-36(44)40-33/h25-28,32-34,45H,2,4-22H2,1,3H3,(H,38,41)(H2,39,40,44)/t25-,26+,27+,28+,32-,33+,34-,37+/m0/s1 [H][C@@]12CS[C@H](CCCCC(=O)NCCCCCCCCCCCC(=O)O[C@@H]3C[C@@](C)(O)[C@@]4([H])C3=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]34)[C@]1([H])NC(=O)N2 [H]C12CSC(CCCCC(=O)NCCCCCCCCCCCC(=O)OC3CC(C)(O)C4([H])C3=C(C)CCC3C(=C)C(=O)OC34)C1([H])NC(=O)N2 BYXQSTJDLYABNE-GXEYYBNCSA-N . LDPC0049 MCL-4 ABPP Probe . . 671.945 C37H57N3O6S 122.83 671.3968075 6.6494 47 3 7 18 InChI=1S/C37H57N3O6S/c1-24-18-19-27-25(2)35(43)45-34(27)32-26(24)20-21-37(32,3)46-31(42)17-11-9-7-5-4-6-8-10-14-22-38-30(41)16-13-12-15-29-33-28(23-47-29)39-36(44)40-33/h27-29,32-34H,2,4-23H2,1,3H3,(H,38,41)(H2,39,40,44)/t27-,28+,29+,32-,33+,34-,37+/m0/s1 [H][C@@]12CS[C@H](CCCCC(=O)NCCCCCCCCCCCC(=O)O[C@]3(C)CCC4=C(C)CC[C@H]5C(=C)C(=O)O[C@@H]5[C@]43[H])[C@]1([H])NC(=O)N2 [H]C12CSC(CCCCC(=O)NCCCCCCCCCCCC(=O)OC3(C)CCC4=C(C)CCC5C(=C)C(=O)OC5C43[H])C1([H])NC(=O)N2 ZHFZUPBUXAJHKF-VKRATHNCSA-N . LDPC0050 MCL-14 ABPP Probe . . 687.944 C37H57N3O7S 143.06 687.3917222 5.6218 48 4 8 19 InChI=1S/C37H57N3O7S/c1-24-26-18-17-25(27-19-20-37(2,45)32(27)34(26)47-35(24)43)22-46-31(42)16-10-8-6-4-3-5-7-9-13-21-38-30(41)15-12-11-14-29-33-28(23-48-29)39-36(44)40-33/h26,28-29,32-34,45H,1,3-23H2,2H3,(H,38,41)(H2,39,40,44)/t26-,28+,29+,32-,33+,34-,37+/m0/s1 [H][C@@]12CS[C@H](CCCCC(=O)NCCCCCCCCCCCC(=O)OCC3=C4CC[C@@](C)(O)[C@]4([H])[C@H]4OC(=O)C(=C)[C@@H]4CC3)[C@]1([H])NC(=O)N2 [H]C12CSC(CCCCC(=O)NCCCCCCCCCCCC(=O)OCC3=C4CCC(C)(O)C4([H])C4OC(=O)C(=C)C4CC3)C1([H])NC(=O)N2 NJJBUAYFDGHQBS-MRZHUVRWSA-N . LDPC0053 FBP2 ABPP Probe . . 215.296 C14H17NO 35.25 215.1310142 2.2934 16 1 2 5 InChI=1S/C14H17NO/c1-2-3-4-9-16-12-7-5-11(6-8-12)13-10-14(13)15/h1,5-8,13-14H,3-4,9-10,15H2/t13?,14-/m0/s1 C#CCCCOc1ccc(C2C[C@@H]2N)cc1 C#CCCCOc1ccc(C2CC2N)cc1 PVWDOGIKWILKGI-KZUDCZAMSA-N . LDPC0054 FBPP2 ABPP Probe . . 269.348 C16H19N3O 59.97 269.1528122 2.8456 20 1 4 7 InChI=1S/C16H19N3O/c1-2-3-8-16(18-19-16)9-10-20-13-6-4-12(5-7-13)14-11-15(14)17/h1,4-7,14-15H,3,8-11,17H2/t14?,15-/m0/s1 C#CCCC1(CCOc2ccc(C3C[C@@H]3N)cc2)N=N1 C#CCCC1(CCOc2ccc(C3CC3N)cc2)N=N1 AVLRFIDTIQOWMV-LOACHALJSA-N . LDPC0055 D5yne ABPP Probe . . 421.324 C21H22Cl2N2O3 58.64 420.1007479 2.796 28 1 5 5 InChI=1S/C21H22Cl2N2O3/c1-2-14-9-16(21(23)18(22)10-14)15-11-19(26)17(20(27)12-15)13-24-3-4-25-5-7-28-8-6-25/h1,9-10,13,15,24H,3-8,11-12H2/b17-13- C#Cc1cc(Cl)c(Cl)c(C2CC(=O)C(=CNCCN3CCOCC3)C(=O)C2)c1 C#Cc1cc(Cl)c(Cl)c(C2CC(=O)C(=CNCCN3CCOCC3)C(=O)C2)c1 HCYORLAKXXXUTR-LGMDPLHJSA-N . LDPC0060 HPAP ABPP Probe . . 771.123 C41H41ClFeN7O3 145.1 770.2308784 4.76094 53 2 6 13 InChI=1S/C41H43N7O3.ClH.Fe/c1-8-11-16-41(47-48-41)17-18-42-39(49)14-12-29-25(6)32-19-31-23(4)27(9-2)35(43-31)20-33-24(5)28(10-3)36(44-33)21-34-26(7)30(13-15-40(50)51)38(46-34)22-37(29)45-32;;/h1,9-10,19-22H,2-3,11-18H2,4-7H3,(H4,42,43,44,45,46,47,48,49,50,51);1H;/q;;+3/p-3/b31-19-,32-19-,33-20-,34-21-,35-20-,36-21-,37-22-,38-22-;; C#CCCC1(CCNC(=O)CCc2c(C)c3cc4nc(cc5[n-]c(cc6nc(cc2[n-]3)C(CCC(=O)O)=C6C)c(C=C)c5C)C(C=C)=C4C)N=N1.[Cl-].[Fe+3] C#CCCC1(CCNC(=O)CCc2c(C)c3cc4nc(cc5[n-]c(cc6nc(cc2[n-]3)C(CCC(=O)O)=C6C)c(C=C)c5C)C(C=C)=C4C)N=N1.[Cl-].[Fe+3] YHYXDJKJQDKIPC-SPIDMOSSSA-K . LDPC0061 C-Sul ABPP Probe . . 284.365 C11H18N5O2S+ 120.95 284.1175722 -0.0717 19 2 3 9 InChI=1S/C11H17N5O2S/c1-3-7-19(2)8-5-9(11(12)18)15-10(17)4-6-14-16-13/h1,9H,4-8H2,2H3,(H2-,12,15,17,18)/p+1/t9-,19?/m0/s1 C#CC[S+](C)CC[C@H](NC(=O)CCN=[N+]=[N-])C(N)=O C#CC[S+](C)CCC(NC(=O)CCN=[N+]=[N-])C(N)=O DRUWXRJVAGVXFY-DUOAPZILSA-O . LDPC0063 STS-1 PAL-AfBPP Probe 56590678 . 742.8 C41H42N8O6 161 1660 2.8 55 3 8 11 InChI=1S/C41H42N8O6/c1-6-19-42-38(52)25(17-18-40(2)45-46-40)44-29(50)15-16-30(51)47(4)28-20-31-48-26-13-9-7-11-22(26)33-34-24(21-43-39(34)53)32-23-12-8-10-14-27(23)49(36(32)35(33)48)41(3,55-31)37(28)54-5/h1,7-14,25,28,31,37H,15-21H2,2-5H3,(H,42,52)(H,43,53)(H,44,50)/t25-,28+,31+,37+,41-/m0/s1 C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)CCC(=O)N[C@@H](CCC9(N=N9)C)C(=O)NCC#C)OC CC1(N=N1)CCC(C(=O)NCC#C)NC(=O)CCC(=O)N(C)C2CC3N4C5=CC=CC=C5C6=C7C(=C8C9=CC=CC=C9N(C8=C64)C(C2OC)(O3)C)CNC7=O MISFRZUITLIRNC-DUQYWFJISA-N N'-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N'-methyl-N-[(2S)-4-(3-methyldiazirin-3-yl)-1-oxo-1-(prop-2-ynylamino)butan-2-yl]butanediamide LDPC0064 DA-2 PAL-AfBPP Probe 57336926 . 651.2 C30H35ClN10O3S 203 1100 4.9 45 5 11 16 InChI=1S/C30H35ClN10O3S/c1-5-6-7-11-25(42)37-21(12-13-30(4)40-41-30)27(43)33-15-14-32-23-16-24(36-19(3)35-23)38-29-34-17-22(45-29)28(44)39-26-18(2)9-8-10-20(26)31/h1,8-10,16-17,21H,6-7,11-15H2,2-4H3,(H,33,43)(H,37,42)(H,39,44)(H2,32,34,35,36,38)/t21-/m0/s1 CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)NCCNC(=O)[C@H](CCC4(N=N4)C)NC(=O)CCCC#C)C CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)NCCNC(=O)C(CCC4(N=N4)C)NC(=O)CCCC#C)C DYBFTSGZTFEVMR-NRFANRHFSA-N N-(2-chloro-6-methylphenyl)-2-[[6-[2-[[(2S)-2-(hex-5-ynoylamino)-4-(3-methyldiazirin-3-yl)butanoyl]amino]ethylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide LDPC0065 DFG-out-3 PAL-AfBPP Probe 71608440 . 734.7 C38H33F3N10O3 168 1310 6.7 54 4 14 15 InChI=1S/C38H33F3N10O3/c1-3-4-5-11-32(52)42-19-20-54-29-16-14-27(15-17-29)47-36-45-23-44-34(49-36)30-10-7-18-43-33(30)48-31-22-28(13-12-24(31)2)46-35(53)25-8-6-9-26(21-25)37(50-51-37)38(39,40)41/h1,6-10,12-18,21-23H,4-5,11,19-20H2,2H3,(H,42,52)(H,43,48)(H,46,53)(H,44,45,47,49) CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C3(N=N3)C(F)(F)F)NC4=C(C=CC=N4)C5=NC(=NC=N5)NC6=CC=C(C=C6)OCCNC(=O)CCCC#C CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C3(N=N3)C(F)(F)F)NC4=C(C=CC=N4)C5=NC(=NC=N5)NC6=CC=C(C=C6)OCCNC(=O)CCCC#C UEEDKNLDAWPXRJ-UHFFFAOYSA-N N-[3-[[3-[4-[4-[2-(hex-5-ynoylamino)ethoxy]anilino]-1,3,5-triazin-2-yl]pyridin-2-yl]amino]-4-methylphenyl]-3-[3-(trifluoromethyl)diazirin-3-yl]benzamide LDPC0066 DFG-out-4 PAL-AfBPP Probe 71608441 . 691.7 C38H32F3N7O3 130 1260 7.4 51 3 11 13 InChI=1S/C38H32F3N7O3/c1-3-4-5-9-34(49)42-18-19-51-31-15-13-29(14-16-31)45-36-43-23-27-20-25(11-17-33(27)46-36)32-22-30(12-10-24(32)2)44-35(50)26-7-6-8-28(21-26)37(47-48-37)38(39,40)41/h1,6-8,10-17,20-23H,4-5,9,18-19H2,2H3,(H,42,49)(H,44,50)(H,43,45,46) CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C3(N=N3)C(F)(F)F)C4=CC5=CN=C(N=C5C=C4)NC6=CC=C(C=C6)OCCNC(=O)CCCC#C CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C3(N=N3)C(F)(F)F)C4=CC5=CN=C(N=C5C=C4)NC6=CC=C(C=C6)OCCNC(=O)CCCC#C RCKDHBTWOLIJEK-UHFFFAOYSA-N N-[3-[2-[4-[2-(hex-5-ynoylamino)ethoxy]anilino]quinazolin-6-yl]-4-methylphenyl]-3-[3-(trifluoromethyl)diazirin-3-yl]benzamide LDPC0067 THL-R ABPP Probe 45378904 . 491.7 C29H49NO5 81.7 653 8.9 35 1 5 22 InChI=1S/C29H49NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h2,22-27H,5,7-21H2,1,3-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCC#C)OC(=O)[C@H](CC(C)C)NC=O CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCC#C)OC(=O)C(CC(C)C)NC=O YHKLBWUOXJBAIG-FWEHEUNISA-N [(2S)-1-[(2S,3S)-3-hex-5-ynyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate LDPC0068 DBIA ABPP Probe . . 424.283 C14H25IN4O3 99.33 424.0971387 0.6742 22 4 3 10 InChI=1S/C14H25IN4O3/c1-10-11(19-14(22)18-10)5-3-2-4-6-12(20)16-7-8-17-13(21)9-15/h10-11H,2-9H2,1H3,(H,16,20)(H,17,21)(H2,18,19,22) CC1NC(=O)NC1CCCCCC(=O)NCCNC(=O)CI CC1NC(=O)NC1CCCCCC(=O)NCCNC(=O)CI ASKKBTGJVCEXOA-UHFFFAOYSA-N . LDPC0069 Photoindomethacin PAL-AfBPP Probe 146586279 SCHEMBL21981189 477 C26H25ClN4O3 85 825 5.2 34 1 5 9 InChI=1S/C26H25ClN4O3/c1-4-5-12-26(29-30-26)13-14-28-24(32)16-22-17(2)31(23-15-20(34-3)10-11-21(22)23)25(33)18-6-8-19(27)9-7-18/h1,6-11,15H,5,12-14,16H2,2-3H3,(H,28,32) CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=C(C=C2)OC)CC(=O)NCCC4(N=N4)CCC#C CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=C(C=C2)OC)CC(=O)NCCC4(N=N4)CCC#C IMALFTLVQLLZGV-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[1-(4-chlorobenzoyl)-6-methoxy-2-methylindol-3-yl]acetamide LDPC0070 Photonaproxen PAL-AfBPP Probe 146523987 SCHEMBL21903480 336.4 C20H20N2O3 71.2 559 4.5 25 1 5 8 InChI=1S/C20H20N2O3/c1-3-4-9-20(21-22-20)10-11-25-18-8-7-16-12-15(14(2)19(23)24)5-6-17(16)13-18/h1,5-8,12-14H,4,9-11H2,2H3,(H,23,24)/t14-/m0/s1 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OCCC3(N=N3)CCC#C)C(=O)O CC(C1=CC2=C(C=C1)C=C(C=C2)OCCC3(N=N3)CCC#C)C(=O)O UXCBLBCOSXPRKU-AWEZNQCLSA-N (2S)-2-[6-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]naphthalen-2-yl]propanoic acid LDPC0071 AHL-Pu-1 ABPP Probe 155590179 SCHEMBL22912677 227.05 C8H4Cl2N4 43.6 263 2.2 14 0 3 1 InChI=1S/C8H4Cl2N4/c1-2-3-14-4-11-7-5(14)6(9)12-8(10)13-7/h1,4H,3H2 C#CCN1C=NC2=C1C(=NC(=N2)Cl)Cl C#CCN1C=NC2=C1C(=NC(=N2)Cl)Cl DQZMJDUCMIRFBJ-UHFFFAOYSA-N 2,6-dichloro-7-prop-2-ynylpurine LDPC0072 DA-P3 ABPP Probe 154499121 N-[2-(3,4-dihydroxyphenyl)ethyl]hept-6-ynamide; 2470435-38-0; C(CCCCC#C)(=O)NCCC=1C=CC(=C(C=1)O)O; G44700; EN300-26983224 261.32 C15H19NO3 69.6 321 0.7 19 3 3 7 InChI=1S/C15H19NO3/c1-2-3-4-5-6-15(19)16-10-9-12-7-8-13(17)14(18)11-12/h1,7-8,11,17-18H,3-6,9-10H2,(H,16,19) C#CCCCCC(=O)NCCC1=CC(=C(C=C1)O)O C#CCCCCC(=O)NCCC1=CC(=C(C=C1)O)O WXEIAKGIMIZSIO-UHFFFAOYSA-N N-[2-(3,4-dihydroxyphenyl)ethyl]hept-6-ynamide LDPC0073 Staurosporine capture compound PAL-AfBPP Probe . . 1383.665 C70H92N15O13S+ 340.81 1382.671425 5.9892 99 8 17 36 InChI=1S/C70H91N15O13S/c1-70-64(94-6)51(38-57(98-70)83-49-19-9-7-17-44(49)59-60-46(39-75-68(60)92)58-45-18-8-10-20-50(45)84(70)63(58)62(59)83)82(2)56(88)40-76-67(91)52(85(3,4)5)21-13-14-28-73-55(87)37-47(77-65(89)42-24-26-43(27-25-42)80-81-71)66(90)74-30-16-32-96-34-36-97-35-33-95-31-15-29-72-54(86)23-12-11-22-53-61-48(41-99-53)78-69(93)79-61/h7-10,17-20,24-27,47-48,51-53,57,61,64H,11-16,21-23,28-41H2,1-6H3,(H7-,72,73,74,75,76,77,78,79,86,87,89,90,91,92,93)/p+1/t47-,48-,51+,52?,53-,57+,61-,64+,70-/m0/s1 [H][C@]12C[C@@H](N(C)C(=O)CNC(=O)C(CCCCNC(=O)C[C@H](NC(=O)c3ccc(N=[N+]=[N-])cc3)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@]4([H])NC(=O)N[C@]34[H])[N+](C)(C)C)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 [H]C12CC(N(C)C(=O)CNC(=O)C(CCCCNC(=O)CC(NC(=O)c3ccc(N=[N+]=[N-])cc3)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCC3SCC4([H])NC(=O)NC34[H])[N+](C)(C)C)C(OC)C(C)(O1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 UZDQJGYUEMGEFB-OHPGTUDKSA-O . LDPC0074 JN0001 PAL-AfBPP Probe 135240833 3-[3-(but-3-yn-1-yl)-3H-diazirin-3-yl]-N-methylpropanamide; 2089056-30-2; 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-methylpropanamide; FFF-ctrl; SCHEMBL20399954; EN300-7355163; 3-(3-but-3-ynyldiazirin-3-yl)-N-methylpropanamide 179.22 C9H13N3O 53.8 268 0.7 13 1 3 5 InChI=1S/C9H13N3O/c1-3-4-6-9(11-12-9)7-5-8(13)10-2/h1H,4-7H2,2H3,(H,10,13) CNC(=O)CCC1(N=N1)CCC#C CNC(=O)CCC1(N=N1)CCC#C AXQJCYNFLNSQDW-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-methylpropanamide LDPC0075 JN0003 PAL-AfBPP Probe 132274143 FFF-2; SCHEMBL20419265; CGP201708; 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-1-(4-phenylpiperidin-1-yl)propan-1-one; 2089059-93-6 309.4 C19H23N3O 45 484 3.1 23 0 3 6 InChI=1S/C19H23N3O/c1-2-3-12-19(20-21-19)13-9-18(23)22-14-10-17(11-15-22)16-7-5-4-6-8-16/h1,4-8,17H,3,9-15H2 C#CCCC1(N=N1)CCC(=O)N2CCC(CC2)C3=CC=CC=C3 C#CCCC1(N=N1)CCC(=O)N2CCC(CC2)C3=CC=CC=C3 GRNLZAHDRUYPME-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(4-phenylpiperidin-1-yl)propan-1-one LDPC0076 JN0004 PAL-AfBPP Probe . . 399.538 C26H29N3O 45.03 399.2310625 5.4128 30 0 3 8 InChI=1S/C26H29N3O/c1-2-3-17-26(27-28-26)18-14-24(30)29-19-15-23(16-20-29)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h1,4-13,23,25H,3,14-20H2 C#CCCC1(CCC(=O)N2CCC(C(c3ccccc3)c3ccccc3)CC2)N=N1 C#CCCC1(CCC(=O)N2CCC(C(c3ccccc3)c3ccccc3)CC2)N=N1 QGSYPKNFTKCQDR-UHFFFAOYSA-N . LDPC0077 JN0005 PAL-AfBPP Probe . . 299.334 C15H17N5O2 73.65 299.1382248 1.0043 22 0 7 5 InChI=1S/C15H17N5O2/c1-4-5-6-15(16-17-15)7-8-20-9-11-12(10-20)18(2)14(22)19(3)13(11)21/h1,9-10H,5-8H2,2-3H3 C#CCCC1(CCn2cc3c(=O)n(C)c(=O)n(C)c3c2)N=N1 C#CCCC1(CCn2cc3c(=O)n(C)c(=O)n(C)c3c2)N=N1 VMCSCOCNRAUODN-UHFFFAOYSA-N . LDPC0078 JN0012 PAL-AfBPP Probe 165946855 EN300-36971656; 4-{2-[3-(but-3-yn-1-yl)-3H-diazirin-3-yl]ethoxy}benzoic acid; 2703773-02-6 258.269 C14H14N2O3 71.2 396 2.6 19 1 5 7 InChI=1S/C14H14N2O3/c1-2-3-8-14(15-16-14)9-10-19-12-6-4-11(5-7-12)13(17)18/h1,4-7H,3,8-10H2,(H,17,18) C#CCCC1(N=N1)CCOC2=CC=C(C=C2)C(=O)O C#CCCC1(N=N1)CCOC2=CC=C(C=C2)C(=O)O GZHHDTLLEQRXJG-UHFFFAOYSA-N 4-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]benzoic acid LDPC0079 JN0020 PAL-AfBPP Probe . . 258.277 C14H14N2O3 71.25 258.1004423 2.7292 19 1 4 7 InChI=1S/C14H14N2O3/c1-2-3-7-14(15-16-14)8-9-19-12-6-4-5-11(10-12)13(17)18/h1,4-6,10H,3,7-9H2,(H,17,18) C#CCCC1(CCOc2cccc(C(=O)O)c2)N=N1 C#CCCC1(CCOc2cccc(C(=O)O)c2)N=N1 NHOOVLOVROZYBZ-UHFFFAOYSA-N . LDPC0081 JN0022 PAL-AfBPP Probe . . 301.346 C16H19N3O3 97.27 301.1426415 1.9854 22 2 5 9 InChI=1S/C16H19N3O3/c1-2-3-8-16(18-19-16)9-10-22-13-6-4-12(5-7-13)11-14(17)15(20)21/h1,4-7,14H,3,8-11,17H2,(H,20,21)/t14-/m0/s1 C#CCCC1(CCOc2ccc(C[C@H](N)C(=O)O)cc2)N=N1 C#CCCC1(CCOc2ccc(CC(N)C(=O)O)cc2)N=N1 IGXRIGOIYRCBDZ-AWEZNQCLSA-N . LDPC0083 JN0013 PAL-AfBPP Probe . . 272.304 C15H16N2O3 71.25 272.1160924 2.6581 20 1 4 8 InChI=1S/C15H16N2O3/c1-2-3-8-15(16-17-15)9-10-20-13-6-4-12(5-7-13)11-14(18)19/h1,4-7H,3,8-11H2,(H,18,19) C#CCCC1(CCOc2ccc(CC(=O)O)cc2)N=N1 C#CCCC1(CCOc2ccc(CC(=O)O)cc2)N=N1 OXTSGSFHRDZVFW-UHFFFAOYSA-N . LDPC0084 JN00026 PAL-AfBPP Probe . . 257.337 C15H19N3O 59.97 257.1528122 2.5322 19 1 4 8 InChI=1S/C15H19N3O/c1-2-3-9-15(17-18-15)10-12-19-14-6-4-13(5-7-14)8-11-16/h1,4-7H,3,8-12,16H2 C#CCCC1(CCOc2ccc(CCN)cc2)N=N1 C#CCCC1(CCOc2ccc(CCN)cc2)N=N1 RKTNYKAIEOFXNT-UHFFFAOYSA-N . LDPC0085 JN00033 PAL-AfBPP Probe . . 286.331 C16H18N2O3 71.25 286.1317424 3.0482 21 1 4 9 InChI=1S/C16H18N2O3/c1-2-3-10-16(17-18-16)11-12-21-14-7-4-13(5-8-14)6-9-15(19)20/h1,4-5,7-8H,3,6,9-12H2,(H,19,20) C#CCCC1(CCOc2ccc(CCC(=O)O)cc2)N=N1 C#CCCC1(CCOc2ccc(CCC(=O)O)cc2)N=N1 PAIAKNBEORTHJT-UHFFFAOYSA-N . LDPC0086 JN00024 PAL-AfBPP Probe . . 325.416 C18H23N5O 64.54 325.1902604 2.8991 24 0 6 7 InChI=1S/C18H23N5O/c1-5-6-7-18(20-21-18)8-9-23-11-14-15(12-23)17(24)22(4)19-16(14)10-13(2)3/h1,11-13H,6-10H2,2-4H3 C#CCCC1(CCn2cc3c(CC(C)C)nn(C)c(=O)c3c2)N=N1 C#CCCC1(CCn2cc3c(CC(C)C)nn(C)c(=O)c3c2)N=N1 GAFJZLQXRJDCIW-UHFFFAOYSA-N . LDPC0087 JN00032 PAL-AfBPP Probe . . 286.287 C15H14N2O4 88.32 286.0953569 2.2983 21 1 5 8 InChI=1S/C15H14N2O4/c1-2-3-8-15(16-17-15)9-10-21-12-6-4-11(5-7-12)13(18)14(19)20/h1,4-7H,3,8-10H2,(H,19,20) C#CCCC1(CCOc2ccc(C(=O)C(=O)O)cc2)N=N1 C#CCCC1(CCOc2ccc(C(=O)C(=O)O)cc2)N=N1 JTMMSCAEWYTZMJ-UHFFFAOYSA-N . LDPC0088 JN00028 PAL-AfBPP Probe . . 301.346 C16H19N3O3 97.27 301.1426415 1.9854 22 2 5 9 InChI=1S/C16H19N3O3/c1-2-3-7-16(18-19-16)8-9-22-13-6-4-5-12(10-13)11-14(17)15(20)21/h1,4-6,10,14H,3,7-9,11,17H2,(H,20,21)/t14-/m1/s1 C#CCCC1(CCOc2cccc(C[C@@H](N)C(=O)O)c2)N=N1 C#CCCC1(CCOc2cccc(CC(N)C(=O)O)c2)N=N1 GETPMEWCFDTJTB-CQSZACIVSA-N . LDPC0089 JN00247 PAL-AfBPP Probe . . 281.315 C16H15N3O2 66.95 281.1164267 3.3051 21 1 4 6 InChI=1S/C16H15N3O2/c1-2-3-7-16(17-18-16)8-10-19-9-6-12-11-13(15(20)21)4-5-14(12)19/h1,4-6,9,11H,3,7-8,10H2,(H,20,21) C#CCCC1(CCn2ccc3cc(C(=O)O)ccc32)N=N1 C#CCCC1(CCn2ccc3cc(C(=O)O)ccc32)N=N1 RXECNRFHMFWUOA-UHFFFAOYSA-N . LDPC0090 JN00248 PAL-AfBPP Probe . . 370.413 C18H22N6O3 155.52 370.1753386 1.2468 27 4 7 10 InChI=1S/C18H22N6O3/c1-2-3-9-18(23-24-18)10-8-16(25)22-21-15(11-14(20)17(26)27)12-6-4-5-7-13(12)19/h1,4-7,14H,3,8-11,19-20H2,(H,22,25)(H,26,27)/b21-15-/t14-/m0/s1 C#CCCC1(CCC(=O)N/N=C(/C[C@H](N)C(=O)O)c2ccccc2N)N=N1 C#CCCC1(CCC(=O)NN=C(CC(N)C(=O)O)c2ccccc2N)N=N1 OASHYQXGVJVFAV-MYVXHDQYSA-N . LDPC0091 JN835 PAL-AfBPP Probe . . 353.426 C19H23N5O2 81.61 353.185175 2.9294 26 0 7 7 InChI=1S/C19H23N5O2/c1-5-6-8-19(21-22-19)9-7-17(25)24-11-14-15(12-24)18(26)23(4)20-16(14)10-13(2)3/h1,11-13H,6-10H2,2-4H3 C#CCCC1(CCC(=O)n2cc3c(CC(C)C)nn(C)c(=O)c3c2)N=N1 C#CCCC1(CCC(=O)n2cc3c(CC(C)C)nn(C)c(=O)c3c2)N=N1 KEAWXWZHCDLYGJ-UHFFFAOYSA-N . LDPC0092 JN00245 PAL-AfBPP Probe . . 344.371 C17H20N4O4 140.36 344.1484551 1.5979 25 3 7 10 InChI=1S/C17H20N4O4/c1-2-3-7-17(20-21-17)8-9-25-14-6-4-5-11(15(14)19)13(22)10-12(18)16(23)24/h1,4-6,12H,3,7-10,18-19H2,(H,23,24) C#CCCC1(CCOc2cccc(C(=O)CC(N)C(=O)O)c2N)N=N1 C#CCCC1(CCOc2cccc(C(=O)CC(N)C(=O)O)c2N)N=N1 NSBJAQBLIDONPG-UHFFFAOYSA-N . LDPC0093 JN00038 PAL-AfBPP Probe . . 455.643 C27H41N3O3 94.28 455.3147922 3.9147 33 3 5 5 InChI=1S/C27H41N3O3/c1-5-12-28-23(33)9-6-16(2)18-7-8-19-24-20(14-22(32)26(18,19)4)25(3)10-11-27(29-30-27)15-17(25)13-21(24)31/h1,16-22,24,31-32H,6-15H2,2-4H3,(H,28,33)/t16-,17-,18-,19+,20?,21-,22+,24+,25+,26-/m1/s1 [H][C@]12C[C@@H](O)[C@]3([H])C(C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CCC(=O)NCC#C)CC[C@]43[H])[C@@]1(C)CCC1(C2)N=N1 [H]C12CC(O)C3([H])C(CC(O)C4(C)C(C(C)CCC(=O)NCC#C)CCC34[H])C1(C)CCC1(C2)N=N1 OKHNDKZIZOECGB-INRUQJTDSA-N . LDPC0094 JN935 PAL-AfBPP Probe . . 299.334 C15H17N5O2 112.92 299.1382248 1.65427 22 3 5 7 InChI=1S/C15H17N5O2/c1-2-3-8-15(19-20-15)9-10-22-12-6-4-11(5-7-12)13(21)18-14(16)17/h1,4-7H,3,8-10H2,(H4,16,17,18,21) C#CCCC1(CCOc2ccc(C(=O)NC(=N)N)cc2)N=N1 C#CCCC1(CCOc2ccc(C(=O)NC(=N)N)cc2)N=N1 NSVFKJMFKLHPSW-UHFFFAOYSA-N . LDPC0095 JN846 PAL-AfBPP Probe . . 271.284 C12H13N7O 114.31 271.118158 0.6674 20 2 7 5 InChI=1S/C12H13N7O/c1-2-3-4-12(17-18-12)5-6-19-7-14-8-9(19)15-11(13)16-10(8)20/h1,7H,3-6H2,(H3,13,15,16,20) C#CCCC1(CCn2cnc3c(=O)[nH]c(N)nc32)N=N1 C#CCCC1(CCn2cnc3c(=O)[nH]c(N)nc32)N=N1 HYJXEYOKQVXDMF-UHFFFAOYSA-N . LDPC0096 JN847 PAL-AfBPP Probe . . 255.285 C12H13N7 94.34 255.1232434 1.3741 19 1 7 5 InChI=1S/C12H13N7/c1-2-3-4-12(17-18-12)5-6-19-8-16-9-10(13)14-7-15-11(9)19/h1,7-8H,3-6H2,(H2,13,14,15) C#CCCC1(CCn2cnc3c(N)ncnc32)N=N1 C#CCCC1(CCn2cnc3c(N)ncnc32)N=N1 MCDXRBXJPIDAGU-UHFFFAOYSA-N . LDPC0097 JN845 PAL-AfBPP Probe . . 256.269 C12H12N6O 88.29 256.107259 1.0852 19 1 6 5 InChI=1S/C12H12N6O/c1-2-3-4-12(16-17-12)5-6-18-8-15-9-10(18)13-7-14-11(9)19/h1,7-8H,3-6H2,(H,13,14,19) C#CCCC1(CCn2cnc3c(=O)[nH]cnc32)N=N1 C#CCCC1(CCn2cnc3c(=O)[nH]cnc32)N=N1 QZRPTSXVUAKHFL-UHFFFAOYSA-N . LDPC0098 JN936 PAL-AfBPP Probe . . 272.268 C12H12N6O2 108.26 272.1021736 0.3785 20 2 6 5 InChI=1S/C12H12N6O2/c1-2-3-4-12(16-17-12)5-6-18-7-13-8-9(18)14-11(20)15-10(8)19/h1,7H,3-6H2,(H2,14,15,19,20) C#CCCC1(CCn2cnc3c(=O)[nH]c(=O)[nH]c32)N=N1 C#CCCC1(CCn2cnc3c(=O)[nH]c(=O)[nH]c32)N=N1 FTQCDQQGZGZDOQ-UHFFFAOYSA-N . LDPC0099 JN836 PAL-AfBPP Probe . . 372.425 C19H24N4O4 103.59 372.1797552 2.376 27 2 6 12 InChI=1S/C19H24N4O4/c1-3-4-10-19(21-22-19)11-9-17(24)20-15-5-7-16(8-6-15)27-13-12-23(2)14-18(25)26/h1,5-8H,4,9-14H2,2H3,(H,20,24)(H,25,26) C#CCCC1(CCC(=O)Nc2ccc(OCCN(C)CC(=O)O)cc2)N=N1 C#CCCC1(CCC(=O)Nc2ccc(OCCN(C)CC(=O)O)cc2)N=N1 OLIZFRAWUOPWEM-UHFFFAOYSA-N . LDPC0100 JN942 PAL-AfBPP Probe . . 300.322 C14H16N6O2 125.81 300.1334738 1.04927 22 3 6 7 InChI=1S/C14H16N6O2/c1-2-3-6-14(19-20-14)7-8-22-11-5-4-10(9-17-11)12(21)18-13(15)16/h1,4-5,9H,3,6-8H2,(H4,15,16,18,21) C#CCCC1(CCOc2ccc(C(=O)NC(=N)N)cn2)N=N1 C#CCCC1(CCOc2ccc(C(=O)NC(=N)N)cn2)N=N1 XTEUAQWBELDAMS-UHFFFAOYSA-N . LDPC0101 JN945 PAL-AfBPP Probe . . 256.309 C14H16N4O 83.82 256.1324111 2.31507 19 2 4 7 InChI=1S/C14H16N4O/c1-2-3-8-14(17-18-14)9-10-19-12-6-4-11(5-7-12)13(15)16/h1,4-7H,3,8-10H2,(H3,15,16) C#CCCC1(CCOc2ccc(C(=N)N)cc2)N=N1 C#CCCC1(CCOc2ccc(C(=N)N)cc2)N=N1 WTKOVLJXQCAPOT-UHFFFAOYSA-N . LDPC0102 JN940 PAL-AfBPP Probe . . 271.324 C14H17N5O 95.85 271.1433102 2.33637 20 3 4 7 InChI=1S/C14H17N5O/c1-2-3-8-14(18-19-14)9-10-20-12-6-4-11(5-7-12)17-13(15)16/h1,4-7H,3,8-10H2,(H4,15,16,17) C#CCCC1(CCOc2ccc(NC(=N)N)cc2)N=N1 C#CCCC1(CCOc2ccc(NC(=N)N)cc2)N=N1 QXJWZCOPYRGRNE-UHFFFAOYSA-N . LDPC0103 JN849 PAL-AfBPP Probe . . 329.447 C22H23N3 27.96 329.1891977 4.5997 25 0 3 6 InChI=1S/C22H23N3/c1-2-3-13-22(23-24-22)14-15-25-16-19-11-7-8-12-20(19)21(17-25)18-9-5-4-6-10-18/h1,4-12,21H,3,13-17H2 C#CCCC1(CCN2Cc3ccccc3C(c3ccccc3)C2)N=N1 C#CCCC1(CCN2Cc3ccccc3C(c3ccccc3)C2)N=N1 GUGJCLMTLOQSFY-UHFFFAOYSA-N . LDPC0104 JN938 PAL-AfBPP Probe . . 387.527 C25H29N3O 48.19 387.2310625 4.6001 29 1 4 8 InChI=1S/C25H29N3O/c1-2-3-16-24(26-27-24)17-20-28-18-14-23(15-19-28)25(29,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h1,4-13,23,29H,3,14-20H2 C#CCCC1(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)N=N1 C#CCCC1(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)N=N1 HQCGRVIGGUJELY-UHFFFAOYSA-N . LDPC0105 JN939 PAL-AfBPP Probe . . 415.537 C26H29N3O2 65.26 415.2259772 4.5168 31 1 4 8 InChI=1S/C26H29N3O2/c1-2-3-17-25(27-28-25)18-14-24(30)29-19-15-23(16-20-29)26(31,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h1,4-13,23,31H,3,14-20H2 C#CCCC1(CCC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)N=N1 C#CCCC1(CCC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)N=N1 PTDUEOBADCGINF-UHFFFAOYSA-N . LDPC0110 Jackson_1 ABPP Probe 60166206 . 471.5 C28H29N3O4 71.8 848 3.7 35 0 4 6 InChI=1S/C28H29N3O4/c1-5-12-29-13-11-20-18-22(9-10-24(20)29)25(32)21-7-6-8-23(19-21)26(33)30-14-16-31(17-15-30)27(34)35-28(2,3)4/h1,6-11,13,18-19H,12,14-17H2,2-4H3 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC(=C2)C(=O)C3=CC4=C(C=C3)N(C=C4)CC#C CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC(=C2)C(=O)C3=CC4=C(C=C3)N(C=C4)CC#C KFTRWFNZDYLHDU-UHFFFAOYSA-N tert-butyl 4-[3-(1-prop-2-ynylindole-5-carbonyl)benzoyl]piperazine-1-carboxylate LDPC0111 Jackson_14 ABPP Probe 60166330 . 471.5 C28H29N3O4 71.8 840 3.7 35 0 4 6 InChI=1S/C28H29N3O4/c1-5-13-29-14-12-22-19-23(10-11-24(22)29)25(32)20-6-8-21(9-7-20)26(33)30-15-17-31(18-16-30)27(34)35-28(2,3)4/h1,6-12,14,19H,13,15-18H2,2-4H3 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC4=C(C=C3)N(C=C4)CC#C CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC4=C(C=C3)N(C=C4)CC#C CHQWHJLBPXQSFU-UHFFFAOYSA-N tert-butyl 4-[4-(1-prop-2-ynylindole-5-carbonyl)benzoyl]piperazine-1-carboxylate LDPC0112 Kambe_3 PAL-AfBPP Probe . . 492.587 C28H28N8O 93.68 492.2386075 4.2921 37 0 9 12 InChI=1S/C28H28N8O/c1-3-17-35(20-23-11-13-25(14-12-23)37-18-15-28(2)31-32-28)26(24-10-7-16-29-19-24)27-30-33-34-36(27)21-22-8-5-4-6-9-22/h1,4-14,16,19,26H,15,17-18,20-21H2,2H3 C#CCN(Cc1ccc(OCCC2(C)N=N2)cc1)C(c1cccnc1)c1nnnn1Cc1ccccc1 C#CCN(Cc1ccc(OCCC2(C)N=N2)cc1)C(c1cccnc1)c1nnnn1Cc1ccccc1 CYJSHLKYQXVBGZ-UHFFFAOYSA-N . LDPC0113 Kambe_8 PAL-AfBPP Probe . . 401.474 C22H23N7O 89.58 401.1964084 2.9845 30 1 8 10 InChI=1S/C22H23N7O/c1-3-14-23-20(21-24-27-28-29(21)16-17-7-5-4-6-8-17)18-9-11-19(12-10-18)30-15-13-22(2)25-26-22/h1,4-12,20,23H,13-16H2,2H3 C#CCNC(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1 C#CCNC(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1 UJOIGXXRXYGDFM-UHFFFAOYSA-N . LDPC0114 Kambe_22 PAL-AfBPP Probe . . 406.494 C21H26N8O 100.66 406.2229575 1.7241 30 1 8 8 InChI=1S/C21H26N8O/c1-3-13-22-21(19-23-26-27-29(19)16-17-7-5-4-6-8-17)11-14-28(15-12-21)18(30)9-10-20(2)24-25-20/h1,4-8,22H,9-16H2,2H3 C#CCNC1(c2nnnn2Cc2ccccc2)CCN(C(=O)CCC2(C)N=N2)CC1 C#CCNC1(c2nnnn2Cc2ccccc2)CCN(C(=O)CCC2(C)N=N2)CC1 QKCMUBMWZQUFGW-UHFFFAOYSA-N . LDPC0115 Kambe_24 PAL-AfBPP Probe . . 409.494 C21H27N7O2 97.86 409.2226231 2.9952 30 0 8 11 InChI=1S/C21H27N7O2/c1-5-7-15-28-20(22-25-26-28)19(16-8-10-17(30-4)11-9-16)27(14-6-2)18(29)12-13-21(3)23-24-21/h2,8-11,19H,5,7,12-15H2,1,3-4H3 C#CCN(C(=O)CCC1(C)N=N1)C(c1ccc(OC)cc1)c1nnnn1CCCC C#CCN(C(=O)CCC1(C)N=N1)C(c1ccc(OC)cc1)c1nnnn1CCCC HJNGEHNAJLCBMD-UHFFFAOYSA-N . LDPC0116 Kambe_26 PAL-AfBPP Probe . . 321.388 C17H19N7 80.35 321.1701936 1.8756 24 1 7 5 InChI=1S/C17H19N7/c1-2-12-18-16(8-10-17(11-9-16)20-21-17)15-19-22-23-24(15)13-14-6-4-3-5-7-14/h1,3-7,18H,8-13H2 C#CCNC1(c2nnnn2Cc2ccccc2)CCC2(CC1)N=N2 C#CCNC1(c2nnnn2Cc2ccccc2)CCC2(CC1)N=N2 GKFXJTYWOWTYFX-UHFFFAOYSA-N . LDPC0117 Kambe_31 PAL-AfBPP Probe . . 527.633 C28H33N9O2 104.34 527.2757213 3.0643 39 0 9 10 InChI=1S/C28H33N9O2/c1-4-15-36(27(38)35-18-16-34(3)17-19-35)25(26-29-32-33-37(26)21-22-8-6-5-7-9-22)23-10-12-24(13-11-23)39-20-14-28(2)30-31-28/h1,5-13,25H,14-21H2,2-3H3 C#CCN(C(=O)N1CCN(C)CC1)C(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1 C#CCN(C(=O)N1CCN(C)CC1)C(c1ccc(OCCC2(C)N=N2)cc1)c1nnnn1Cc1ccccc1 NYEPISJMSFFIAC-UHFFFAOYSA-N . LDPC0118 Kambe_55 PAL-AfBPP Probe . . 430.472 C22H22N8O2 102.91 430.1865719 2.4252 32 0 10 8 InChI=1S/C22H22N8O2/c1-3-10-29(11-8-22(2)25-26-22)20(16-5-4-9-23-15-16)21-24-27-28-30(21)17-6-7-18-19(14-17)32-13-12-31-18/h1,4-7,9,14-15,20H,8,10-13H2,2H3 C#CCN(CCC1(C)N=N1)C(c1cccnc1)c1nnnn1-c1ccc2c(c1)OCCO2 C#CCN(CCC1(C)N=N1)C(c1cccnc1)c1nnnn1-c1ccc2c(c1)OCCO2 LPGXAOXQYXWXCB-UHFFFAOYSA-N . LDPC0119 STS-2 PAL-AfBPP Probe 132916117 . 685.8 C39H39N7O5 132 1510 3.6 51 2 7 10 InChI=1S/C39H39N7O5/c1-5-6-17-39(42-43-39)18-19-40-28(47)15-16-29(48)44(3)27-20-30-45-25-13-9-7-11-22(25)32-33-24(21-41-37(33)49)31-23-12-8-10-14-26(23)46(35(31)34(32)45)38(2,51-30)36(27)50-4/h1,7-14,27,30,36H,6,15-21H2,2-4H3,(H,40,47)(H,41,49)/t27-,30-,36-,38+/m1/s1 C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)CCC(=O)NCCC9(N=N9)CCC#C)OC CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)CCC(=O)NCCC9(N=N9)CCC#C)OC KTTLTTDDOPSDQD-ZOPJARKFSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-N'-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N'-methylbutanediamide LDPC0120 AEA-DA PAL-AfBPP Probe 122553554 SCHEMBL18092603 371.5 C22H33N3O2 74 576 3.8 27 2 4 16 InChI=1S/C22H33N3O2/c1-2-3-14-17-22(24-25-22)18-15-12-10-8-6-4-5-7-9-11-13-16-21(27)23-19-20-26/h1,4,6-7,9-10,12,26H,3,5,8,11,13-20H2,(H,23,27)/b6-4-,9-7-,12-10- C#CCCCC1(N=N1)CC/C=C\C/C=C\C/C=C\CCCC(=O)NCCO C#CCCCC1(N=N1)CCC=CCC=CCC=CCCCC(=O)NCCO UNCWIXRHQUPOCJ-PTKMVDJPSA-N (5Z,8Z,11Z)-N-(2-hydroxyethyl)-14-(3-pent-4-ynyldiazirin-3-yl)tetradeca-5,8,11-trienamide LDPC0121 A-DA PAL-AfBPP Probe 122553620 SCHEMBL18092677 381.6 C24H35N3O 53.8 626 5.6 28 1 3 16 InChI=1S/C24H35N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(28)25-22-21-24(2)26-27-24/h1,7-8,10-11,13-14,16-17H,4-6,9,12,15,18-22H2,2H3,(H,25,28)/b8-7-,11-10-,14-13-,17-16- CC1(N=N1)CCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC#C CC1(N=N1)CCNC(=O)CCCC=CCC=CCC=CCC=CCCCC#C VCYPOIHJBWLYDA-ZKWNWVNESA-N (5Z,8Z,11Z,14Z)-N-[2-(3-methyldiazirin-3-yl)ethyl]icosa-5,8,11,14-tetraen-19-ynamide LDPC0125 Curcusone 37 ABPP Probe 166984035 SCHEMBL24272208 392.5 C25H28O4 60.4 935 4.1 29 0 4 5 InChI=1S/C25H28O4/c1-7-8-9-20(26)29-25(6)13-19-22(24(25)28)21-15(4)10-11-17(14(2)3)18(21)12-16(5)23(19)27/h1,12,17-18,21H,2,4,8-11,13H2,3,5-6H3/t17-,18-,21?,25+/m1/s1 CC1=C[C@@H]2[C@H](CCC(=C)C2C3=C(C1=O)C[C@](C3=O)(C)OC(=O)CCC#C)C(=C)C CC1=CC2C(CCC(=C)C2C3=C(C1=O)CC(C3=O)(C)OC(=O)CCC#C)C(=C)C ZPSNNKPOFQYHPI-YGQCNMQCSA-N [(2S,6aR,7S)-2,5-dimethyl-10-methylidene-1,4-dioxo-7-prop-1-en-2-yl-3,6a,7,8,9,10a-hexahydrobenzo[e]azulen-2-yl] pent-4-ynoate LDPC0129 WP ABPP Probe . . 610.744 C35H46O9 128.73 610.3141831 3.9371 44 1 9 6 InChI=1S/C35H46O9/c1-8-9-10-30(38)43-27-12-11-26(37)33(7)22-13-14-32(6)23(20(4)25-15-18(2)19(3)31(39)42-25)16-28(41-21(5)36)34(32,40)24(22)17-29-35(27,33)44-29/h1,11-12,18-20,22-25,27-29,40H,9-10,13-17H2,2-7H3/t18?,19?,20-,22?,23?,24?,25+,27-,28-,29+,32+,33-,34+,35+/m0/s1 C#CCCC(=O)O[C@H]1C=CC(=O)[C@]2(C)C3CC[C@]4(C)C([C@H](C)[C@H]5CC(C)C(C)C(=O)O5)C[C@H](OC(C)=O)[C@]4(O)C3C[C@H]3O[C@]132 C#CCCC(=O)OC1C=CC(=O)C2(C)C3CCC4(C)C(C(C)C5CC(C)C(C)C(=O)O5)CC(OC(C)=O)C4(O)C3CC3OC132 ZGKYBYQQBKGDFF-YBSFGTROSA-N . LDPC0130 1oxF11yne ABPP Probe 169211407 . 341.4 C18H19N3O4 65.4 580 1.3 25 0 4 3 InChI=1S/C18H19N3O4/c1-2-8-24-18(23)20-11-14-9-19(10-15(14)12-20)17(22)21-16(25-21)13-6-4-3-5-7-13/h1,3-7,14-16H,8-12H2/t14-,15+,16?,21? C#CCOC(=O)N1C[C@H]2CN(C[C@H]2C1)C(=O)N3C(O3)C4=CC=CC=C4 C#CCOC(=O)N1CC2CN(CC2C1)C(=O)N3C(O3)C4=CC=CC=C4 HGRIMRFBQDCUTJ-MEWABEDBSA-N prop-2-ynyl (3aR,6aS)-2-(3-phenyloxaziridine-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate LDPC0131 Probe 3 PAL-AfBPP Probe . . 792.556 C27H30N12O13P2-2 346.04 792.1541494 -1.8102 54 5 24 8 InChI=1S/C27H32N12O13P2/c1-2-3-4-27(36-37-27)5-6-29-20-14-21(31-9-30-20)38(10-32-14)24-17(41)18-13(50-24)8-48-54(45,46)52-19-16(40)12(7-47-53(43,44)51-18)49-25(19)39-11-33-15-22(39)34-26(28)35-23(15)42/h1,9-13,16-19,24-25,40-41H,3-8H2,(H,43,44)(H,45,46)(H,29,30,31)(H3,28,34,35,42)/p-2/t12-,13-,16+,17?,18+,19?,24-,25-/m1/s1 C#CCCC1(CCNc2ncnc3c2ncn3[C@@H]2O[C@@H]3COP(=O)([O-])OC4[C@@H](O)[C@@H](COP(=O)([O-])O[C@@H]3C2O)O[C@H]4n2cnc3c(=O)[nH]c(N)nc32)N=N1 C#CCCC1(CCNc2ncnc3c2ncn3C2OC3COP(=O)([O-])OC4C(O)C(COP(=O)([O-])OC3C2O)OC4n2cnc3c(=O)[nH]c(N)nc32)N=N1 NHVDGNBQWLRISX-BFABKECKSA-L . LDPC0132 CHEMBL5175495 ABPP Probe 168276513 CHEMBL5175495 305.5 C20H35NO 20.3 326 7.1 22 0 1 15 InChI=1S/C20H35NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-21(18-5-2)20(22)6-3/h2,6H,3-4,7-19H2,1H3 CCCCCCCCCCCCCCN(CC#C)C(=O)C=C CCCCCCCCCCCCCCN(CC#C)C(=O)C=C AZBDQAXWAGIMNM-UHFFFAOYSA-N N-prop-2-ynyl-N-tetradecylprop-2-enamide LDPC0133 HDSF-alk ABPP Probe . . 332.525 C18H33FO2S 34.14 332.2185295 5.7704 22 0 2 16 InChI=1S/C18H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h1H,3-18H2 C#CCCCCCCCCCCCCCCCCS(=O)(=O)F C#CCCCCCCCCCCCCCCCCS(=O)(=O)F PEYZUNFGXUVQEV-UHFFFAOYSA-N . LDPC0135 ATP probe ABPP Probe . . 788.538 C24H39N8O16P3 355.43 788.1696871 -0.1613 51 9 18 19 InChI=1S/C24H39N8O16P3/c1-13-14(31-24(37)30-13)6-3-2-4-7-16(33)26-9-5-8-17(34)46-50(40,41)48-51(42,43)47-49(38,39)44-10-15-19(35)20(36)23(45-15)32-12-29-18-21(25)27-11-28-22(18)32/h11-15,19-20,23,35-36H,2-10H2,1H3,(H,26,33)(H,38,39)(H,40,41)(H,42,43)(H2,25,27,28)(H2,30,31,37)/t13?,14?,15-,19+,20?,23-/m1/s1 CC1NC(=O)NC1CCCCCC(=O)NCCCC(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)[C@H]1O CC1NC(=O)NC1CCCCCC(=O)NCCCC(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O FGNJIMSIOAJUNL-UJWSXKNASA-N . LDPC0136 AMP probe ABPP Probe . . 628.58 C24H37N8O10P 262.37 628.237026 -0.3953 43 7 14 15 InChI=1S/C24H37N8O10P/c1-13-14(31-24(37)30-13)6-3-2-4-7-16(33)26-9-5-8-17(34)42-43(38,39)40-10-15-19(35)20(36)23(41-15)32-12-29-18-21(25)27-11-28-22(18)32/h11-15,19-20,23,35-36H,2-10H2,1H3,(H,26,33)(H,38,39)(H2,25,27,28)(H2,30,31,37)/t13?,14?,15-,19+,20?,23-/m1/s1 CC1NC(=O)NC1CCCCCC(=O)NCCCC(=O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)[C@H]1O CC1NC(=O)NC1CCCCCC(=O)NCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O OKNJSCDGPCYCOY-UJWSXKNASA-N . LDPC0137 P11 ABPP Probe . . 213.284 C13H15N3 42.98 213.1265975 1.2803 16 2 3 4 InChI=1S/C13H15N3/c1-2-9-16-10-11(7-8-15-14)12-5-3-4-6-13(12)16/h1,3-6,10,15H,7-9,14H2 C#CCn1cc(CCNN)c2ccccc21 C#CCn1cc(CCNN)c2ccccc21 SBIXFIJTPQDCNM-UHFFFAOYSA-N . LDPC0138 P12 ABPP Probe . . 277.324 C14H19N3O3 107.61 277.1426415 0.0018 20 5 5 6 InChI=1S/C14H19N3O3/c1-3-4-7-16-13(20)14(2,17-15)9-10-5-6-11(18)12(19)8-10/h1,5-6,8,17-19H,4,7,9,15H2,2H3,(H,16,20)/t14-/m1/s1 C#CCCNC(=O)[C@@](C)(Cc1ccc(O)c(O)c1)NN C#CCCNC(=O)C(C)(Cc1ccc(O)c(O)c1)NN YSGBJFKIJLHVCA-CQSZACIVSA-N . LDPC0139 P13 ABPP Probe . . 228.255 C12H12N4O 73.06 228.101111 1.0652 17 2 5 4 InChI=1S/C12H12N4O/c1-2-5-17-8-9-3-4-11-10(6-9)7-14-16-12(11)15-13/h1,3-4,6-7H,5,8,13H2,(H,15,16) C#CCOCc1ccc2c(NN)nncc2c1 C#CCOCc1ccc2c(NN)nncc2c1 QLOBYEGFNXYXIV-UHFFFAOYSA-N . LDPC0141 Alk-rapa PAL-AfBPP Probe . . 1034.342 C58H87N3O13 209.15 1033.62389 8.1705 74 2 15 12 InChI=1S/C58H87N3O13/c1-12-13-26-57(59-60-57)27-29-72-47-25-23-43(33-50(47)70-10)32-39(5)49-35-46(62)38(4)31-41(7)52(64)53(71-11)51(63)40(6)30-36(2)19-15-14-16-20-37(3)48(69-9)34-44-24-22-42(8)58(68,74-44)54(65)55(66)61-28-18-17-21-45(61)56(67)73-49/h1,14-16,19-20,31,36,38-40,42-45,47-50,52-53,64,68H,13,17-18,21-30,32-35H2,2-11H3/b16-14-,19-15-,37-20-,41-31-/t36-,38-,39-,40-,42-,43+,44+,45-,47-,48+,49+,50-,52-,53+,58-/m1/s1 C#CCCC1(CCO[C@@H]2CC[C@@H](C[C@@H](C)[C@@H]3CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=C/C=C(/C)[C@@H](OC)C[C@@H]4CC[C@@H](C)[C@@](O)(O4)C(=O)C(=O)N4CCCC[C@@H]4C(=O)O3)C[C@H]2OC)N=N1 C#CCCC1(CCOC2CCC(CC(C)C3CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(OC)CC4CCC(C)C(O)(O4)C(=O)C(=O)N4CCCCC4C(=O)O3)CC2OC)N=N1 LMDBGEGADWRVSU-MQQPRQRTSA-N . LDPC0142 A-EBA ABPP Probe . . 448.482 C27H20N4O3 88.18 448.1535405 3.7995 34 1 5 6 InChI=1S/C27H20N4O3/c1-5-7-31(3)27(33)20-8-18(12-28-13-20)19-9-23-24(15-30-26(23)29-14-19)22-10-21(16-32)17(6-2)11-25(22)34-4/h1-2,8-16H,7H2,3-4H3,(H,29,30) C#CCN(C)C(=O)c1cncc(-c2cnc3[nH]cc(-c4cc(C=O)c(C#C)cc4OC)c3c2)c1 C#CCN(C)C(=O)c1cncc(-c2cnc3[nH]cc(-c4cc(C=O)c(C#C)cc4OC)c3c2)c1 RBNIMBYYMAPEKV-UHFFFAOYSA-N . LDPC0143 CHEMBL5092326 PAL-AfBPP Probe 166635804 CHEMBL5092326 625.7 C31H43N7O7 154 991 5.2 45 3 11 20 InChI=1S/C31H43N7O7/c1-31(36-37-31)13-11-28(40)33-14-7-6-8-23(35-38-32)30(41)34-15-12-21(16-20-9-10-25(42-2)24(39)17-20)22-18-26(43-3)29(45-5)27(19-22)44-4/h9-10,17-19,21,23,39H,6-8,11-16H2,1-5H3,(H,33,40)(H,34,41)/t21?,23-/m0/s1 CC1(N=N1)CCC(=O)NCCCC[C@@H](C(=O)NCCC(CC2=CC(=C(C=C2)OC)O)C3=CC(=C(C(=C3)OC)OC)OC)N=[N+]=[N-] CC1(N=N1)CCC(=O)NCCCCC(C(=O)NCCC(CC2=CC(=C(C=C2)OC)O)C3=CC(=C(C(=C3)OC)OC)OC)N=[N+]=[N-] SGYIZZWETQFYIC-YANBTOMASA-N (2S)-2-azido-N-[4-(3-hydroxy-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)butyl]-6-[3-(3-methyldiazirin-3-yl)propanoylamino]hexanamide LDPC0144 Acrolein ABPP Probe 7847 ACROLEIN; Acrylaldehyde; 2-Propenal; 107-02-8; Propenal; Acrylic aldehyde; prop-2-enal; Allyl aldehyde; Ethylene aldehyde; Aqualin; Magnacide H; Acraldehyde; Slimicide; 2-Propen-1-one; Aqualine; Crolean; Prop-2-en-1-al; Magnacide; Acquinite; Biocide; Acrylaldehyd; Acroleina; Acroleine; Akrolein; Akroleina; Papite; Aldeide acrilica; Aldehyde acrylique; Acraldehydeacroleina; NSC 8819; Rcra waste number P003; Propenaldehyde; trans-Acrolein; Caswell No. 009; Magnacide B; Aldehyde, Allyl; Aldehyde, Acrylic; Aldehyde, Ethylene; Magnacide H and B; CCRIS 3278; HSDB 177; Acrolein (stabilized with hydroquinone); UN 1092; CHEBI:15368; 2-Propenaldehyde; EINECS 203-453-4; UNII-7864XYD3JJ; EPA Pesticide Chemical Code 000701; 7864XYD3JJ; 25068-14-8; DTXSID5020023; AI3-24160; CH2=CHCHO; NSC-8819; CHEMBL721; DTXCID8023; EC 203-453-4; ACROLEIN (IARC); ACROLEIN [IARC]; ACROLEIN (MART.); ACROLEIN [MART.]; Akrolein [Czech]; Propenal [Czech]; Acrolein, analytical standard; Akroleina [Polish]; Acroleina [Italian]; Acrylaldehyd [German]; 2 Propenal; Acroleine [Dutch, French]; Aldeide acrilica [Italian]; Propadien-1-ol; Aldehyde acrylique [French]; Acrolein, inhibited; Propenal, inhibited; Acraldehydeacroleina [Italian]; UN1092; RCRA waste no. P003; Acrylic aldehyde, inhibited; allol; Acrylehyde; Allylaldehyde; Acrehyde; Acrylehyd; Aerolein; Acrolein Monomer; 2-propen-1-al; prop-2-en-1-one; 81788-96-7; ACROLEIN [HSDB]; ACROLEIN [INCI]; ACROLEIN [MI]; Epitope ID:143621; WLN: VH1U1; Acroleine(DUTCH, FRENCH); trans-Acrolein Formylethylene; GTPL2418; DTXSID50526220; NSC8819; Acrolein 5000 microg/mL in Water; BCP07056; STR00291; Acrolein 100 microg/mL in Acetone; Tox21_200984; BDBM50010912; Acrolein 1000 microg/mL in Methanol; Acrolein 5000 microg/mL in Methanol; AKOS000120766; Acrolein, 96%, stab with hydroquinone; NCGC00091484-01; NCGC00091484-02; NCGC00258537-01; BP-14004; CAS-107-02-8; Acrolein, inhibited [UN1092] [Poison]; DB-026460; A0137; NS00009782; C01471; InChI=1/C3H4O/c1-2-3-4/h2-3H,1H; A801558; Q342790; Acrolein, contains hydroquinone as stabilizer, 90%; Acrolein Solution, 5000 microg/mL in Methanol, Second Source; Acrolein, stabilized with 3 wt% water, 1000ppm hydroquinone, stored over Copper 56.06 C3H4O 17.1 30.3 0 4 0 1 1 InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2 C=CC=O C=CC=O HGINCPLSRVDWNT-UHFFFAOYSA-N prop-2-enal LDPC0145 Methacrolein ABPP Probe 6562 METHACROLEIN; 78-85-3; Methacrylaldehyde; 2-Methyl-2-propenal; 2-Methylacrolein; 2-Propenal, 2-methyl-; Isobutenal; 2-Methylprop-2-enal; 2-Methylpropenal; Acrolein, 2-methyl-; Methylacrylaldehyde; 2-Methylenepropanal; Methacrylic aldehyde; Methakrylaldehyd; Methacrolein (stabilized with HQ); .alpha.-Methacrolein; .alpha.-Methylacrolein; NSC 8260; 2-methyl-propenal; 9HRB24892H; NSC-8260; alpha-Methylacrolein; HSDB 182; Methakrylaldehyd [Czech]; MFCD00006974; 2-Methylpropenal [Czech]; CCRIS 1153; EINECS 201-150-1; UN2396; BRN 1209258; methacroleine; Methacraldehyde; UNII-9HRB24892H; AI3-37779; 2-Methylacrylaldehyde; Methacrolein, 95%; METHACRYALDEHYDE; 2-Methylacrylaldehyde #; 2-METHYL PROPENAL; METHACROLEIN [HSDB]; Methacrylaldehyde, inhibited; CH2=C(CH3)CHO; 2-FORMYL-1-PROPENE; WLN: VHY1&U1; 4-01-00-03455 (Beilstein Handbook Reference); UN 2396 (Salt/Mix); CHEMBL4063095; DTXSID0052540; CHEBI:88384; NSC8260; .ALPHA.-METHYLACRYLALDEHYDE; AMY28760; AKOS000119839; M0078; NS00022801; EN300-19749; H10713; Methacrolein (Stabilized with 1% Hydroquinone); A839511; Q420234; InChI=1/C4H6O/c1-4(2)3-5/h3H,1H2,2H; Methacrolein (Stabilized with 1per cent Hydroquinone); F2191-0163; Methacrylaldehyde, inhibited [UN2396] [Flammable liquid] 70.09 C4H6O 17.1 54.7 0.7 5 0 1 1 InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3 CC(=C)C=O CC(=C)C=O STNJBCKSHOAVAJ-UHFFFAOYSA-N 2-methylprop-2-enal LDPC0146 Crotonaldehyde ABPP Probe 447466 CROTONALDEHYDE; 2-Butenal; Crotonal; Crotylaldehyde; (2E)-but-2-enal; 123-73-9; trans-Crotonaldehyde; (E)-Crotonaldehyde; Methylpropenal; Crotonic aldehyde; trans-2-Butenal; (E)-but-2-enal; 1-Formylpropene; Propylene aldehyde; beta-Methylacrolein; 2-Butenal, (2E)-; 2-Butenaldehyde; Aldehyde crotonique; Krotonaldehyd; trans-but-2-enal; Topanel; trans- Crotonal; trans-2-butenaldehyde; Topanel CA; 4170-30-3; 2-Butenal, (E)-; E-2-Butenal; beta-Methyl acrolein; RCRA waste number U053; (E)-2-Butenal; CROTONALDEHYDE, (E)-; 2-Butenal, inhibited; CCRIS 909; NSC 56354; (E)-Crotonaldehyde (IUPAC); HSDB 252; CHEBI:41607; Crotonaldehyde, inhibited; NCI-C56279; but-2-enal; 3-Methylacrolein, inhibited; AI3-18303 (USDA); EINECS 224-030-0; UNII-9G72074TUW; UN 1143; AI3-18303; RCRA waste no. U053; DTXCID404864; CHEMBL1086445; DTXSID8024864; EC 224-030-0; 9G72074TUW; 6PUW625907; Butenal; Krotonaldehyd [Czech]; trans-Crotonaldehyde; trans-2-Butenal; (E)-2-Butenal (~0.1% MEHQ); (Z)-2-Butenal; .beta.-Methylacrolein; (2Z)-2-Butenal; Aldehyde crotonique [French]; CCRIS 4501; Crotonaldehyde, cis-; HSDB 2871; EINECS 204-647-1; UN1143; Crotenaldehyde; Krotonaldehyde; Topenel; Croton aldehyde; NSC-56354; 3-Methylacrolein; UNII-6PUW625907; Aldehido crotonico; t-2-Butenal; nchem.215-comp8; (2E)-crotonaldehyde; 2-Buten-1-al; (2E)-2-Butenal; But-(E)-2-enal; Crotonaldehyde, stabilized; Epitope ID:143635; Crotonaldehyde, stabilized [UN1143] [Poison]; CROTONALDEHYDE (IARC); (E)-CROTONIC ALDEHYDE; GTPL6288; CROTONALDEHYDE, (2E)-; DTXSID6020351; Crotonaldehyde, predominantly trans; (E)-.BETA.-METHYLACROLEIN; (E)-CROTONALDEHYDE [HSDB]; CROTONALDEHYDE E-FORM [MI]; STR00019; Tox21_200316; BBL011428; BDBM50318489; MFCD00007003; STL146535; AKOS005720774; DB04381; 2-BUTENAL (TRANS) CROTONALDEHYDE; NCGC00090830-01; NCGC00090830-02; NCGC00257870-01; Crotonaldehyde, predominantly trans, 98%; CAS-4170-30-3; CS-0015768; NS00068728; C19377; Crotonaldehyde, stabilized [UN1143] [Poison]; A805141; Q416036; 95:5 MIXTURE OF TRANS:CIS CROTONALDEHYDE ISOMERS; Crotonaldehyde, predominantly trans, >=99%, contains 0.1-0.2% BHT as stabilizer, 1% H2O as stabilizer 70.09 C4H6O 17.1 45.6 0.5 5 0 1 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ C/C=C/C=O CC=CC=O MLUCVPSAIODCQM-NSCUHMNNSA-N (E)-but-2-enal LDPC0147 Cinnamaldehyde ABPP Probe 637511 cinnamaldehyde; trans-Cinnamaldehyde; 104-55-2; 14371-10-9; Cinnamic aldehyde; 3-Phenylacrylaldehyde; (E)-Cinnamaldehyde; Cinnamal; Zimtaldehyde; 2-Propenal, 3-phenyl-; (2E)-3-phenylprop-2-enal; 3-Phenylpropenal; trans-Cinnamic aldehyde; Phenylacrolein; Cinnamylaldehyde; (E)-3-Phenylpropenal; (E)-3-phenylprop-2-enal; (E)-3-Phenyl-2-propenal; 2-propenal, 3-phenyl-, (2E)-; Cassia aldehyde; 3-Phenylacrolein; 3-phenylprop-2-enal; Cinnemaldehyde; Cinnamyl aldehyde; Abion CA; Cinnamaldehyde, (E)-; trans-Cinnamylaldehyde; Benzylideneacetaldehyde; beta-Phenylcrolein; 3-Phenyl-2-propenal; 3-Phenyl-2-propenaldehyde; Acrolein, 3-phenyl-; 3-Fenylpropenal; FEMA No. 2286; 3-Phenyl-2-propen-1-al; trans-3-Phenyl-2-propenal; (E)-Cinnamic aldehyde; NCI-C56111; 2-Propenal, 3-phenyl-, (E)-; (2E)-3-phenylacrylaldehyde; .beta.-phenylacrolein; CHEBI:16731; Cinnamaldehyde, trans-; (E)-3-Phenyl-propenal; MFCD00007000; NSC-16935; NSC-40346; SR60A3XG0F; (3E)-3-phenylprop-2-enal; (2E)-3-Phenyl-2-propenal; CHEMBL293492; Aldehyd skoricovy; DTXSID6024834; XC-800; NCGC00091512-04; NSC 16935; WLN: VH1U1R; DTXCID504834; Caswell No. 221A; FEMA Number 2286; 3-Fenylpropenal [Czech]; Aldehyd skoricovy [Czech]; Cinnamic aldehyde (natural); Hefty Dog and Cat Repellent; CAS-14371-10-9; CCRIS 3189; CCRIS 6222; Cinnamaldehyde [NF]; HSDB 209; EINECS 203-213-9; UNII-SR60A3XG0F; DTXSID1024835; EPA Pesticide Chemical Code 040506; BRN 0605737; BRN 1071571; e-cinnamaldehyde; AI3-00473; AI3-33275; transcinnamaldehyde; trans cinnamaldehyde; CNMA; (trans)-cinnamaldehyde; trans cinnamic aldehyde; trans-3-Phenylacrolein; trans-3-phenyl-propenal; (E)-phenylvinyl aldehyde; (E)-3-phenylacrylaldehyde; bmse010257; Epitope ID:150921; CINNAMALDEHYDE [II]; CINNAMALDEHYDE [MI]; EC 203-213-9; trans-3-Phenylacrylaldehyde; Trans-Cinnamaldehyde ,(S); SCHEMBL3441; trans-Cinnamaldehyde, 99%; (E)-3-phenyl-acrylaldehyde; CINNAMALDEHYDE [FCC]; trans-Cinnamaldehyde; trans-3-Phenylacrylaldehyde; Cinnamaldehyde (trans), neat; CINNAMALDEHYDE [FHFI]; CINNAMALDEHYDE [HSDB]; 2-07-00-00273 (Beilstein Handbook Reference); 4-07-00-00984 (Beilstein Handbook Reference); MLS002454394; CINNAMALDEHYDE (TRANS); trans-Cinnamaldehyde, >=99%; DTXCID904835; GTPL2423; (E)-cinnamaldehyde (incorrect); CINNAMALDEHYDE [USP-RS]; CINNAMALDEHYDE [WHO-DD]; trans-cinnamaldehyde (incorrect); CHEBI:142921; HMS2268O08; HMS3885E04; HY-N0609; NSC16935; NSC40346; Tox21_111144; Tox21_200272; Tox21_201804; Tox21_303271; BDBM50203065; s3763; STK397371; AKOS000119171; Cinnamaldehyde, natural, >=95%, FG; CCG-266119; DB14184; Cinnamaldehyde min. 98%, for synthesis; Cinnamaldehyde 100 microg/mL in Toluene; NCGC00091512-01; NCGC00091512-02; NCGC00091512-05; NCGC00091512-06; NCGC00091512-07; NCGC00257017-01; NCGC00257826-01; NCGC00259353-01; trans-Cinnamaldehyde, analytical standard; AS-12078; AS-75456; CAS-104-55-2; SMR000112334; trans-Cinnamaldehyde, >=98%, FCC, FG; (E)-3-phenyl-2-propenal(E)-cinnamaldehyde; DB-003796; AM20060482; CS-0009609; NS00003408; EN300-19160; C00903; Cinnamaldehyde, Vetec(TM) reagent grade, 93%; D72477; EN300-735819; (E)-Cinnamaldehyde; (2E)-3-phenyl-2-propenal; A801001; Q204036; W-205597; B99DD6C7-1C6D-4FE3-A172-54BFDB987683; Z3219847383; CINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]; Cinnamaldehyde, United States Pharmacopeia (USP) Reference Standard; InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4; TRANS-CINNAMALDEHYDE (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC] 132.16 C9H8O 17.1 121 1.9 10 0 1 2 InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ C1=CC=C(C=C1)/C=C/C=O C1=CC=C(C=C1)C=CC=O KJPRLNWUNMBNBZ-QPJJXVBHSA-N (E)-3-phenylprop-2-enal LDPC0148 1c-yne ABPP Probe . . 285.166 C10H9BrN2OS 29.91 283.961896 -1.5256 15 0 3 2 InChI=1S/C10H9N2OS.BrH/c1-3-6-12-7-4-5-8-9(12)11-10(13-8)14-2;/h1,4-5,7H,6H2,2H3;1H/q+1;/p-1 C#CC[n+]1cccc2oc(SC)nc21.[Br-] C#CC[n+]1cccc2oc(SC)nc21.[Br-] YHSHPBOQWYFMGB-UHFFFAOYSA-M . LDPC0149 ART-yne ABPP Probe 72946284 CHEMBL3601161 322.4 C18H26O5 46.2 527 3.2 23 0 5 2 InChI=1S/C18H26O5/c1-5-10-19-15-12(3)14-7-6-11(2)13-8-9-17(4)21-16(20-15)18(13,14)23-22-17/h1,11-16H,6-10H2,2-4H3/t11-,12-,13+,14+,15+,16-,17-,18-/m1/s1 C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCC#C)C CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC#C)C NVEPSTWUQUGTGZ-QOBNMGNYSA-N (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-10-prop-2-ynoxy-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane LDPC0150 W1 ABPP Probe 135628946 STL558673; AKOS037503692; (E)-N-hydroxy-1-[4-(prop-2-yn-1-yloxy)phenyl]methanimine 175.18 C10H9NO2 41.8 208 1.7 13 1 3 3 InChI=1S/C10H9NO2/c1-2-7-13-10-5-3-9(4-6-10)8-11-12/h1,3-6,8,12H,7H2/b11-8+ C#CCOC1=CC=C(C=C1)/C=N/O C#CCOC1=CC=C(C=C1)C=NO RKMOALAUYRKIRQ-DHZHZOJOSA-N (NE)-N-[(4-prop-2-ynoxyphenyl)methylidene]hydroxylamine LDPC0151 N1 ABPP Probe . . 341.157 C17H20BF4NO 12.24 341.1574075 3.66162 24 0 1 5 InChI=1S/C17H20NO.BF4/c1-5-12-19-15-10-8-14(9-11-15)16-13(4)17(16)18(6-2)7-3;2-1(3,4)5/h1,8-11H,6-7,12H2,2-4H3;/q+1;-1 C#CCOc1ccc(-c2c(C)c2=[N+](CC)CC)cc1.F[B-](F)(F)F C#CCOc1ccc(-c2c(C)c2=[N+](CC)CC)cc1.F[B-](F)(F)F PVTWWIFWSQVTJG-UHFFFAOYSA-N . LDPC0153 CY4 ABPP Probe . . 214.289 C13H10OS 9.23 214.0452359 3.27911 15 0 2 3 InChI=1S/C13H10OS/c1-3-8-14-11-6-4-10(5-7-11)12-9(2)13(12)15/h1,4-7H,8H2,2H3 C#CCOc1ccc(-c2c(C)c2=S)cc1 C#CCOc1ccc(-c2c(C)c2=S)cc1 HNRXTESRYNBUJY-UHFFFAOYSA-N . LDPC0156 8df PAL-AfBPP Probe . . 765.79 C38H42F3N7O7 150.87 765.3097813 4.15022 55 1 12 19 InChI=1S/C38H42F3N7O7/c1-6-14-54-16-17-55-15-13-42-33(49)22-47(36(51)27-8-10-29(11-9-27)37(44-45-37)38(39,40)41)20-26-7-12-31-32(19-26)48(30(23-52-4)24-53-5)34(43-31)28-18-25(2)35(50)46(3)21-28/h1,7-12,18-19,21,30H,13-17,20,22-24H2,2-5H3,(H,42,49) C#CCOCCOCCNC(=O)CN(Cc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(C(COC)COC)c2c1)C(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 C#CCOCCOCCNC(=O)CN(Cc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(C(COC)COC)c2c1)C(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1 BBZLRTYAFTVBTO-UHFFFAOYSA-N . LDPC0157 8ef PAL-AfBPP Probe . . 717.823 C41H43N5O7 133.99 717.3162487 4.18372 53 1 10 17 InChI=1S/C41H43N5O7/c1-6-19-53-20-18-42-37(47)25-45(41(50)32-15-13-31(14-16-32)38(48)30-10-8-7-9-11-30)23-29-12-17-35-36(22-29)46(34(26-51-4)27-52-5)39(43-35)33-21-28(2)40(49)44(3)24-33/h1,7-17,21-22,24,34H,18-20,23,25-27H2,2-5H3,(H,42,47) C#CCOCCNC(=O)CN(Cc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(C(COC)COC)c2c1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 C#CCOCCNC(=O)CN(Cc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(C(COC)COC)c2c1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 PKDIPFKLNRPJDH-UHFFFAOYSA-N . LDPC0158 SAA-alkyne ABPP Probe . . 531.517 C29H25NO9 176.78 531.1529314 3.0077 39 7 9 9 InChI=1S/C29H25NO9/c1-2-13-30-29(38)26(16-18-5-10-22(32)25(35)15-18)39-27(36)12-7-19-6-11-23(33)28(37)20(19)8-3-17-4-9-21(31)24(34)14-17/h1,3-12,14-15,26,31-35,37H,13,16H2,(H,30,38)/b8-3+,12-7+/t26-/m1/s1 C#CCNC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1/C=C/c1ccc(O)c(O)c1 C#CCNC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1C=Cc1ccc(O)c(O)c1 LOMXEEXEEYFRPD-MBTPIPGZSA-N . LDPC0159 CY-1 ABPP Probe 162640924 Cyclopropenone probe 1;CHEMBL5083204;BDBM50586715;HY-132913;CS-0254745 184.19 C12H8O2 26.3 311 1.7 14 0 2 3 InChI=1S/C12H8O2/c1-2-7-14-10-5-3-9(4-6-10)11-8-12(11)13/h1,3-6,8H,7H2 C#CCOC1=CC=C(C=C1)C2=CC2=O C#CCOC1=CC=C(C=C1)C2=CC2=O NPMUYJHJORYPSD-UHFFFAOYSA-N 2-(4-prop-2-ynoxyphenyl)cycloprop-2-en-1-one LDPC0160 pLen PAL-AfBPP Probe . . 393.403 C20H19N5O4 120.3 393.1437041 1.3517 29 2 6 6 InChI=1S/C20H19N5O4/c1-2-3-8-20(23-24-20)10-17(27)21-13-4-5-14-12(9-13)11-25(19(14)29)15-6-7-16(26)22-18(15)28/h1,4-5,9,15H,3,6-8,10-11H2,(H,21,27)(H,22,26,28) C#CCCC1(CC(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)N=N1 C#CCCC1(CC(=O)Nc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)N=N1 CJCQTNAGHVZIEY-UHFFFAOYSA-N . LDPC0161 TH211 ABPP Probe 155213672 SCHEMBL22558820 601.7 C32H29F2N5O3S 106 1090 5 43 1 8 9 InChI=1S/C32H29F2N5O3S/c1-2-18-35-32(40)26-7-13-30(14-8-26)43(41,42)39-22-29(36-37-39)17-21-38-19-15-25(16-20-38)31(23-3-9-27(33)10-4-23)24-5-11-28(34)12-6-24/h1,3-14,22H,15-21H2,(H,35,40) C#CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C=C(N=N2)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3 C#CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C=C(N=N2)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3 JYIFBRGQXMYSFX-UHFFFAOYSA-N 4-[4-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]triazol-1-yl]sulfonyl-N-prop-2-ynylbenzamide LDPC0162 TH214 ABPP Probe 155213655 SCHEMBL22558799 574.6 C31H28F2N4O3S 85.7 999 5.7 41 0 8 9 InChI=1S/C31H28F2N4O3S/c1-2-21-40-29-11-13-30(14-12-29)41(38,39)37-22-28(34-35-37)17-20-36-18-15-25(16-19-36)31(23-3-7-26(32)8-4-23)24-5-9-27(33)10-6-24/h1,3-14,22H,15-21H2 C#CCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=N2)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3 C#CCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=N2)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3 RXZYFLNIZRCITN-UHFFFAOYSA-N 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-prop-2-ynoxyphenyl)sulfonyltriazol-4-yl]ethyl]piperidine LDPC0163 TH216 ABPP Probe 155213260 SCHEMBL22558320 544.6 C30H26F2N4O2S 76.5 964 5.8 39 0 7 8 InChI=1S/C30H26F2N4O2S/c1-2-22-3-13-29(14-4-22)39(37,38)36-21-28(33-34-36)17-20-35-18-15-25(16-19-35)30(23-5-9-26(31)10-6-23)24-7-11-27(32)12-8-24/h1,3-14,21H,15-20H2 C#CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=N2)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3 C#CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=N2)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3 BMOGRVDHQYVFPP-UHFFFAOYSA-N 4-[bis(4-fluorophenyl)methylidene]-1-[2-[1-(4-ethynylphenyl)sulfonyltriazol-4-yl]ethyl]piperidine LDPC0164 DAyne ABPP Probe 146356063 SCHEMBL21708855 191.23 C11H13NO2 52.5 209 -0.4 14 3 3 4 InChI=1S/C11H13NO2/c1-2-6-12-7-5-9-3-4-10(13)11(14)8-9/h1,3-4,8,12-14H,5-7H2 C#CCNCCC1=CC(=C(C=C1)O)O C#CCNCCC1=CC(=C(C=C1)O)O OIMZHWRJAOKZIX-UHFFFAOYSA-N 4-[2-(prop-2-ynylamino)ethyl]benzene-1,2-diol LDPC0166 HHS-475 ABPP Probe 139207992 SCHEMBL22558797; EN300-26572641; N-(prop-2-yn-1-yl)-4-(1H-1,2,4-triazole-1-sulfonyl)benzamide 290.3 C12H10N4O3S 102 497 0.6 20 1 5 4 InChI=1S/C12H10N4O3S/c1-2-7-14-12(17)10-3-5-11(6-4-10)20(18,19)16-9-13-8-15-16/h1,3-6,8-9H,7H2,(H,14,17) C#CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C=NC=N2 C#CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C=NC=N2 ZBNCPAXYEUCPRL-UHFFFAOYSA-N N-prop-2-ynyl-4-(1,2,4-triazol-1-ylsulfonyl)benzamide LDPC0167 SAHA-CA-4PAP ABPP Probe . . 1239.816 C56H87ClN10O19 365.43 1238.583748 6.4317 86 7 20 52 InChI=1S/C56H87ClN10O19/c57-21-7-3-4-8-27-76-33-37-80-38-34-77-32-25-62-56(74)86-44-42-82-40-36-79-31-24-61-55(73)84-29-10-9-28-83-54(72)60-23-30-78-35-39-81-41-43-85-53(71)59-22-26-67(45-46-13-17-49(18-14-46)64-66-58)52(70)47-15-19-48(20-16-47)63-50(68)11-5-1-2-6-12-51(69)65-75/h9-10,13-20,75H,1-8,11-12,21-45H2,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,68)(H,65,69)/b10-9+ [N-]=[N+]=Nc1ccc(CN(CCNC(=O)OCCOCCOCCNC(=O)OC/C=C/COC(=O)NCCOCCOCCOC(=O)NCCOCCOCCOCCCCCCCl)C(=O)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 [N-]=[N+]=Nc1ccc(CN(CCNC(=O)OCCOCCOCCNC(=O)OCC=CCOC(=O)NCCOCCOCCOC(=O)NCCOCCOCCOCCCCCCCl)C(=O)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1 VQBDBGNYSJPKEX-MDZDMXLPSA-N . LDPC0168 ONAyne ABPP Probe 122553555 SCHEMBL18092604 152.19 C9H12O2 34.1 173 0.2 11 0 2 6 InChI=1S/C9H12O2/c1-2-3-4-6-9(11)7-5-8-10/h1,8H,3-7H2 C#CCCCC(=O)CCC=O C#CCCCC(=O)CCC=O ZXVLUJLEQJDHPI-UHFFFAOYSA-N 4-oxonon-8-ynal LDPC0169 Dasatinib-CA-4PAP ABPP Probe . . 1433.482 C63H91Cl2N15O17S 373.28 1431.581513 7.66824 98 6 25 50 InChI=1S/C63H91Cl2N15O17S/c1-48-10-9-11-52(65)57(48)75-58(82)53-45-71-59(98-53)74-54-44-55(73-49(2)72-54)79-24-22-78(23-25-79)47-56(81)80(46-50-12-14-51(15-13-50)76-77-66)21-17-67-60(83)96-42-40-92-38-34-89-29-18-68-61(84)94-27-7-8-28-95-62(85)69-19-30-90-35-39-93-41-43-97-63(86)70-20-31-88-33-37-91-36-32-87-26-6-4-3-5-16-64/h7-15,44-45H,3-6,16-43,46-47H2,1-2H3,(H,67,83)(H,68,84)(H,69,85)(H,70,86)(H,75,82)(H,71,72,73,74)/b8-7+ Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)N(CCNC(=O)OCCOCCOCCNC(=O)OC/C=C/COC(=O)NCCOCCOCCOC(=O)NCCOCCOCCOCCCCCCCl)Cc3ccc(N=[N+]=[N-])cc3)CC2)n1 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)N(CCNC(=O)OCCOCCOCCNC(=O)OCC=CCOC(=O)NCCOCCOCCOC(=O)NCCOCCOCCOCCCCCCCl)Cc3ccc(N=[N+]=[N-])cc3)CC2)n1 PCRZHGRLZQYFNC-BQYQJAHWSA-N . LDPC0170 Propranolol-CA-4PAP ABPP Probe . . 956.495 C45H62ClN9O12 273.11 955.4206461 5.8066 67 6 14 33 InChI=1S/C45H62ClN9O12/c46-19-5-1-2-6-26-62-29-22-50-45(61)66-31-24-52-44(60)64-28-8-7-27-63-43(59)51-23-30-65-42(58)49-21-25-55(33-35-14-16-37(17-15-35)53-54-47)41(57)18-20-48-32-38(56)34-67-40-13-9-11-36-10-3-4-12-39(36)40/h3-4,7-17,38,48,56H,1-2,5-6,18-34H2,(H,49,58)(H,50,61)(H,51,59)(H,52,60)/b8-7+/t38-/m0/s1 [N-]=[N+]=Nc1ccc(CN(CCNC(=O)OCCNC(=O)OC/C=C/COC(=O)NCCOC(=O)NCCOCCCCCCCl)C(=O)CCNC[C@H](O)COc2cccc3ccccc23)cc1 [N-]=[N+]=Nc1ccc(CN(CCNC(=O)OCCNC(=O)OCC=CCOC(=O)NCCOC(=O)NCCOCCCCCCCl)C(=O)CCNCC(O)COc2cccc3ccccc23)cc1 JCHOROBXGLASEM-COVLVDCSSA-N . LDPC0174 IMP2070 PAL-AfBPP Probe . . 519.627 C27H29N5O4S 120.3 519.1940254 3.8219 37 2 6 8 InChI=1S/C27H29N5O4S/c1-3-15-32(16-14-27(2)30-31-27)25(33)18-10-12-21(13-11-18)37(35,36)29-26(34)28-24-22-8-4-6-19(22)17-20-7-5-9-23(20)24/h1,10-13,17H,4-9,14-16H2,2H3,(H2,28,29,34) C#CCN(CCC1(C)N=N1)C(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1 C#CCN(CCC1(C)N=N1)C(=O)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1 ORBFGOZFVGXLTP-UHFFFAOYSA-N . LDPC0175 7-N3 ABPP Probe 167133724 SCHEMBL24564493 433.6 C25H40FN3O2 51.7 740 7 31 1 5 6 InChI=1S/C25H40FN3O2/c1-15(4-5-18(30)14-26)19-6-7-20-23-21(9-11-25(19,20)3)24(2)10-8-17(28-29-27)12-16(24)13-22(23)31/h15-17,19-23,31H,4-14H2,1-3H3/t15-,16+,17?,19-,20+,21+,22-,23+,24+,25-/m1/s1 C[C@H](CCC(=O)CF)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(C4)N=[N+]=[N-])C)O)C CC(CCC(=O)CF)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)N=[N+]=[N-])C)O)C QCWQIZXWZUVWAM-GOIGBCGRSA-N (5R)-5-[(5S,7R,8R,9S,10S,13R,14S,17R)-3-azido-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-fluorohexan-2-one LDPC0177 Cep-alkyne ABPP Probe . . 516.639 C27H40N4O6 156.86 516.294785 0.3647 37 6 6 11 InChI=1S/C27H40N4O6/c1-4-5-6-7-8-9-10-11-12-13-24(35)31-25(20(3)32)27(37)30-22-18-21(33)16-17-28-23(34)15-14-19(2)29-26(22)36/h1,10-15,19-22,25,32-33H,5-9,16-18H2,2-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35)/b11-10+,13-12+,15-14-/t19-,20+,21-,22-,25-/m0/s1 C#CCCCCC/C=C/C=C/C(=O)N[C@H](C(=O)N[C@H]1C[C@@H](O)CCNC(=O)/C=C\[C@H](C)NC1=O)[C@@H](C)O C#CCCCCCC=CC=CC(=O)NC(C(=O)NC1CC(O)CCNC(=O)C=CC(C)NC1=O)C(C)O WYIPRIZMTCTBJK-QQXADAIISA-N . LDPC0178 HHS-482 ABPP Probe 139207988 SCHEMBL22558761 396.4 C19H16N4O4S 112 683 2.3 28 1 6 6 InChI=1S/C19H16N4O4S/c1-3-12-20-19(24)15-6-10-17(11-7-15)28(25,26)23-13-21-18(22-23)14-4-8-16(27-2)9-5-14/h1,4-11,13H,12H2,2H3,(H,20,24) COC1=CC=C(C=C1)C2=NN(C=N2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NCC#C COC1=CC=C(C=C1)C2=NN(C=N2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NCC#C KXBHYOHYITZMOM-UHFFFAOYSA-N 4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]-N-prop-2-ynylbenzamide LDPC0179 EN219-alkyne ABPP Probe 170902951 EN219-alkyne 488.8 C22H19BrClN3O3 71 691 3.4 30 1 4 7 InChI=1S/C22H19BrClN3O3/c1-2-11-25-21(28)14-30-18-9-5-16(6-10-18)20-12-19(26-27(20)22(29)13-24)15-3-7-17(23)8-4-15/h1,3-10,20H,11-14H2,(H,25,28) C#CCNC(=O)COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCl)C3=CC=C(C=C3)Br C#CCNC(=O)COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCl)C3=CC=C(C=C3)Br FGJLZQWWDKBXBM-UHFFFAOYSA-N 2-[4-[5-(4-bromophenyl)-2-(2-chloroacetyl)-3,4-dihydropyrazol-3-yl]phenoxy]-N-prop-2-ynylacetamide LDPC0180 Alkyne-RA190 ABPP Probe . . 654.421 C34H28Cl4N2O3 66.48 652.0854035 7.7095 43 1 3 9 InChI=1S/C34H28Cl4N2O3/c1-2-3-5-10-32(41)39-31(19-22-8-6-4-7-9-22)34(43)40-20-25(15-23-11-13-27(35)29(37)17-23)33(42)26(21-40)16-24-12-14-28(36)30(38)18-24/h1,4,6-9,11-18,31H,3,5,10,19-21H2,(H,39,41)/b25-15+,26-16+/t31-/m0/s1 C#CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1 C#CCCCC(=O)NC(Cc1ccccc1)C(=O)N1CC(=Cc2ccc(Cl)c(Cl)c2)C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1 SRMMHHJSKZOTEX-DFLDXFFVSA-N . LDPC0181 KY-26 ABPP Probe 155213652 SCHEMBL22558795 677.7 C33H31N11O4S 192 1310 3.4 49 3 11 10 InChI=1S/C33H31N11O4S/c1-2-14-34-31(45)27-20-28(37-29-19-26(39-40-29)22-8-9-22)38-33(36-27)43-17-15-42(16-18-43)32(46)24-10-12-25(13-11-24)49(47,48)44-21-35-30(41-44)23-6-4-3-5-7-23/h1,3-7,10-13,19-22H,8-9,14-18H2,(H,34,45)(H2,36,37,38,39,40) C#CCNC(=O)C1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4C=NC(=N4)C5=CC=CC=C5)NC6=NNC(=C6)C7CC7 C#CCNC(=O)C1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4C=NC(=N4)C5=CC=CC=C5)NC6=NNC(=C6)C7CC7 VYYXQZBQKHVHET-UHFFFAOYSA-N 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[4-[4-[(3-phenyl-1,2,4-triazol-1-yl)sulfonyl]benzoyl]piperazin-1-yl]-N-prop-2-ynylpyrimidine-4-carboxamide LDPC0182 8d ABPP Probe 162667946 CHEMBL4803621 679.8 C35H43N4O8S+ 155 1080 3.2 48 3 9 16 InChI=1S/C35H42N4O8S/c1-42-34-25-19-39-10-8-23-17-29-30(47-21-46-29)18-24(23)27(39)16-22(25)6-7-28(34)45-15-14-44-13-12-43-11-9-36-32(40)5-3-2-4-31-33-26(20-48-31)37-35(41)38-33/h6-7,16-19,26,31,33H,2-5,8-15,20-21H2,1H3,(H2-,36,37,38,40,41)/p+1/t26-,31-,33-/m0/s1 COC1=C(C=CC2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C=C21)OCCOCCOCCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7 COC1=C(C=CC2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C=C21)OCCOCCOCCNC(=O)CCCCC6C7C(CS6)NC(=O)N7 ZQBQWJXMLWBMIJ-CTVJOPNHSA-O 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[(16-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-17-yl)oxy]ethoxy]ethoxy]ethyl]pentanamide LDPC0183 IBr-1b ABPP Probe . . 521.625 C30H31N7O2 111.19 521.2539232 4.2004 39 2 8 9 InChI=1S/C30H31N7O2/c1-3-4-16-32-30(38)21(2)18-36-17-8-9-23(19-36)37-29-26(28(31)33-20-34-29)27(35-37)22-12-14-25(15-13-22)39-24-10-6-5-7-11-24/h1,5-7,10-15,20,23H,2,4,8-9,16-19H2,(H,32,38)(H2,31,33,34)/t23-/m1/s1 C#CCCNC(=O)C(=C)CN1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 C#CCCNC(=O)C(=C)CN1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 WISBBVCQCPSREJ-HSZRJFAPSA-N . LDPC0184 Photoprobe 2 ABPP Probe . . 595.739 C31H33NO7S2 107.05 595.1698444 4.3048 41 0 7 11 InChI=1S/C31H33NO7S2/c1-5-18-38-26-14-10-23(11-15-26)31(33)24-12-16-27(17-13-24)39-21-25-19-32(20-28(25)22(2)3)41(36,37)30-9-7-6-8-29(30)40(4,34)35/h1,6-17,22,25,28H,18-21H2,2-4H3/t25-,28-/m1/s1 C#CCOc1ccc(C(=O)c2ccc(OC[C@H]3CN(S(=O)(=O)c4ccccc4S(C)(=O)=O)C[C@@H]3C(C)C)cc2)cc1 C#CCOc1ccc(C(=O)c2ccc(OCC3CN(S(=O)(=O)c4ccccc4S(C)(=O)=O)CC3C(C)C)cc2)cc1 OVLWLEVSNNWQJS-LEAFIULHSA-N . LDPC0187 D3 ABPP Probe . . 256.389 C18H24O 9.23 256.1827154 5.2806 19 0 1 9 InChI=1S/C18H24O/c1-4-6-8-9-10-11-13-14-17-16(3)19-18(17)15-12-7-5-2/h2,4,14-15H,1,3,6-13H2/b17-14+,18-15- C#CCC/C=C1\OC(=C)\C1=C/CCCCCCC=C C#CCCC=C1OC(=C)C1=CCCCCCCC=C PSZBGUYOOGFMNJ-YEUVTLMZSA-N . LDPC0188 11RK72 ABPP Probe . . 641.784 C27H35N11O4S2 190.27 641.2314906 0.40298 44 4 12 11 InChI=1S/C27H35N11O4S2/c28-15-36-7-5-16(10-36)25(41)33-27-31-18-6-8-37(12-21(18)44-27)23(40)13-38-11-17(34-35-38)9-29-22(39)4-2-1-3-20-24-19(14-43-20)30-26(42)32-24/h11,16,19-20,24H,1-10,12-14H2,(H,29,39)(H2,30,32,42)(H,31,33,41)/t16-,19+,20+,24+/m0/s1 [H][C@@]12CS[C@H](CCCCC(=O)NCc3cn(CC(=O)N4CCc5nc(NC(=O)[C@H]6CCN(C#N)C6)sc5C4)nn3)[C@]1([H])NC(=O)N2 [H]C12CSC(CCCCC(=O)NCc3cn(CC(=O)N4CCc5nc(NC(=O)C6CCN(C#N)C6)sc5C4)nn3)C1([H])NC(=O)N2 XJSQIHOHLGVPGJ-FROCWPDGSA-N . LDPC0189 11RK73 ABPP Probe . . 817.996 C35H51N11O8S2 227.19 817.3363496 0.46938 56 4 16 23 InChI=1S/C35H51N11O8S2/c36-23-44-8-5-24(17-44)33(49)41-35-39-26-6-9-45(19-29(26)56-35)31(48)20-46-18-25(42-43-46)21-54-16-15-53-14-13-52-12-11-51-10-7-37-30(47)4-2-1-3-28-32-27(22-55-28)38-34(50)40-32/h18,24,27-28,32H,1-17,19-22H2,(H,37,47)(H2,38,40,50)(H,39,41,49)/t24-,27+,28+,32+/m0/s1 [H][C@@]12CS[C@H](CCCCC(=O)NCCOCCOCCOCCOCc3cn(CC(=O)N4CCc5nc(NC(=O)[C@H]6CCN(C#N)C6)sc5C4)nn3)[C@]1([H])NC(=O)N2 [H]C12CSC(CCCCC(=O)NCCOCCOCCOCCOCc3cn(CC(=O)N4CCc5nc(NC(=O)C6CCN(C#N)C6)sc5C4)nn3)C1([H])NC(=O)N2 OZMRLFGFDFLQTD-BCZYHNNCSA-N . LDPC0190 DA-P2 ABPP Probe . . 247.294 C14H17NO3 69.56 247.1208434 1.56 18 3 3 6 InChI=1S/C14H17NO3/c1-2-3-4-5-14(18)15-9-8-11-6-7-12(16)13(17)10-11/h1,6-7,10,16-17H,3-5,8-9H2,(H,15,18) C#CCCCC(=O)NCCc1ccc(O)c(O)c1 C#CCCCC(=O)NCCc1ccc(O)c(O)c1 HUGNXIRRXRSXCS-UHFFFAOYSA-N . LDPC0192 1d-yne ABPP Probe . . 382.361 C13H11F3NO5S2+ 69.62 382.0025255 1.8702 24 0 6 6 InChI=1S/C13H11F3NO5S2/c1-3-6-20-8-9-4-5-10-11(7-9)21-12(23-2)17(10)22-24(18,19)13(14,15)16/h1,4-5,7H,6,8H2,2H3/q+1 C#CCOCc1ccc2c(c1)oc(SC)[n+]2OS(=O)(=O)C(F)(F)F C#CCOCc1ccc2c(c1)oc(SC)[n+]2OS(=O)(=O)C(F)(F)F SJZDDQONKDXPIV-UHFFFAOYSA-N . LDPC0194 SAHA-CA-8PAP PAL-AfBPP Probe . . 933.417 C41H57ClN10O13 310.05 932.3795096 5.08012 65 7 14 30 InChI=1S/C41H57ClN10O13/c1-30-8-9-31(28-34(30)49-51-43)29-52(37(55)32-10-12-33(13-11-32)48-35(53)14-15-36(54)50-60)21-17-44-38(56)64-26-19-46-39(57)62-23-6-7-24-63-40(58)47-20-27-65-41(59)45-18-25-61-22-5-3-2-4-16-42/h6-13,28,60H,2-5,14-27,29H2,1H3,(H,44,56)(H,45,59)(H,46,57)(H,47,58)(H,48,53)(H,50,54)/b7-6+ Cc1ccc(CN(CCNC(=O)OCCNC(=O)OC/C=C/COC(=O)NCCOC(=O)NCCOCCCCCCCl)C(=O)c2ccc(NC(=O)CCC(=O)NO)cc2)cc1N=[N+]=[N-] Cc1ccc(CN(CCNC(=O)OCCNC(=O)OCC=CCOC(=O)NCCOC(=O)NCCOCCCCCCCl)C(=O)c2ccc(NC(=O)CCC(=O)NO)cc2)cc1N=[N+]=[N-] CCABJGSKVCTQMU-VOTSOKGWSA-N . LDPC0195 SAHA-CA-3PAP PAL-AfBPP Probe . . 884.385 C38H58ClN9O13 286.01 883.3842606 3.5919 61 7 15 31 InChI=1S/C38H58ClN9O13/c1-38(46-47-38)15-8-21-48(33(51)29-9-11-30(12-10-29)44-31(49)13-14-32(50)45-56)22-17-40-34(52)60-27-19-42-35(53)58-24-6-7-25-59-36(54)43-20-28-61-37(55)41-18-26-57-23-5-3-2-4-16-39/h6-7,9-12,56H,2-5,8,13-28H2,1H3,(H,40,52)(H,41,55)(H,42,53)(H,43,54)(H,44,49)(H,45,50)/b7-6+ CC1(CCCN(CCNC(=O)OCCNC(=O)OC/C=C/COC(=O)NCCOC(=O)NCCOCCCCCCCl)C(=O)c2ccc(NC(=O)CCC(=O)NO)cc2)N=N1 CC1(CCCN(CCNC(=O)OCCNC(=O)OCC=CCOC(=O)NCCOC(=O)NCCOCCCCCCCl)C(=O)c2ccc(NC(=O)CCC(=O)NO)cc2)N=N1 GLLNPFHWKYJHNO-VOTSOKGWSA-N . LDPC0196 Dasatinib-CA-8PAP PAL-AfBPP Probe . . 1183.191 C52H69Cl2N15O11S 317.9 1181.439874 7.87706 81 6 19 32 InChI=1S/C52H69Cl2N15O11S/c1-36-13-14-39(31-41(36)65-66-55)34-69(20-16-56-49(72)79-29-18-58-50(73)77-26-8-9-27-78-51(74)59-19-30-80-52(75)57-17-28-76-25-7-5-4-6-15-53)45(70)35-67-21-23-68(24-22-67)44-32-43(61-38(3)62-44)63-48-60-33-42(81-48)47(71)64-46-37(2)11-10-12-40(46)54/h8-14,31-33H,4-7,15-30,34-35H2,1-3H3,(H,56,72)(H,57,75)(H,58,73)(H,59,74)(H,64,71)(H,60,61,62,63)/b9-8+ Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)N(CCNC(=O)OCCNC(=O)OC/C=C/COC(=O)NCCOC(=O)NCCOCCCCCCCl)Cc3ccc(C)c(N=[N+]=[N-])c3)CC2)n1 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)N(CCNC(=O)OCCNC(=O)OCC=CCOC(=O)NCCOC(=O)NCCOCCCCCCCl)Cc3ccc(C)c(N=[N+]=[N-])c3)CC2)n1 IKSYERYOIBJQSP-CMDGGOBGSA-N . LDPC0197 Dasatinib-CA-3PAP PAL-AfBPP Probe . . 1134.159 C49H70Cl2N14O11S 293.86 1132.444625 6.38884 77 6 20 33 InChI=1S/C49H70Cl2N14O11S/c1-35-12-10-13-37(51)42(35)60-43(67)38-33-56-44(77-38)59-39-32-40(58-36(2)57-39)64-24-22-63(23-25-64)34-41(66)65(20-11-14-49(3)61-62-49)21-16-52-45(68)75-30-18-54-46(69)73-27-8-9-28-74-47(70)55-19-31-76-48(71)53-17-29-72-26-7-5-4-6-15-50/h8-10,12-13,32-33H,4-7,11,14-31,34H2,1-3H3,(H,52,68)(H,53,71)(H,54,69)(H,55,70)(H,60,67)(H,56,57,58,59)/b9-8+ Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)N(CCCC3(C)N=N3)CCNC(=O)OCCNC(=O)OC/C=C/COC(=O)NCCOC(=O)NCCOCCCCCCCl)CC2)n1 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)N(CCCC3(C)N=N3)CCNC(=O)OCCNC(=O)OCC=CCOC(=O)NCCOC(=O)NCCOCCCCCCCl)CC2)n1 YPTZMFOOXPUYTK-CMDGGOBGSA-N . LDPC0199 PARPYnD PAL-AfBPP Probe 163342421 PARPYnD; 2561483-27-8; AKOS040758517; HY-145749; CS-0380690; 3-(3-Butyn-1-yl)-N-[5-cyano-6-[4-[3-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]benzoyl]-1-piperazinyl]-3-pyridinyl]-3H-diazirine-3-propanamide 613.7 C34H31N9O3 156 1310 3 46 2 9 10 InChI=1S/C34H31N9O3/c1-2-3-12-34(40-41-34)13-11-30(44)37-26-20-25(21-35)31(36-22-26)42-14-16-43(17-15-42)33(46)24-8-6-7-23(18-24)19-29-27-9-4-5-10-28(27)32(45)39-38-29/h1,4-10,18,20,22H,3,11-17,19H2,(H,37,44)(H,39,45) C#CCCC1(N=N1)CCC(=O)NC2=CC(=C(N=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)CC5=NNC(=O)C6=CC=CC=C65)C#N C#CCCC1(N=N1)CCC(=O)NC2=CC(=C(N=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)CC5=NNC(=O)C6=CC=CC=C65)C#N ZYWZRMXOMDKHKX-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[5-cyano-6-[4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyridin-3-yl]propanamide LDPC0200 KIRA6 AfBP PAL-AfBPP Probe . . 667.696 C35H32F3N9O2 151.16 667.2631059 7.5015 49 4 8 10 InChI=1S/C35H32F3N9O2/c1-4-5-16-34(45-46-34)17-15-27(48)44-33(2,3)31-43-28(29-30(39)40-18-19-47(29)31)25-13-14-26(24-12-7-6-11-23(24)25)42-32(49)41-22-10-8-9-21(20-22)35(36,37)38/h1,6-14,18-20H,5,15-17H2,2-3H3,(H2,39,40)(H,44,48)(H2,41,42,49) C#CCCC1(CCC(=O)NC(C)(C)c2nc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c4ccccc34)c3c(N)nccn23)N=N1 C#CCCC1(CCC(=O)NC(C)(C)c2nc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c4ccccc34)c3c(N)nccn23)N=N1 CHHLVSAKZQFWMD-UHFFFAOYSA-N . LDPC0201 Alkylaryl probe 3 ABPP Probe . . 231.299 C13H17N3O 67.15 231.1371622 0.4455 17 3 3 7 InChI=1S/C13H17N3O/c1-2-3-9-15-13(17)12-6-4-11(5-7-12)8-10-16-14/h1,4-7,16H,3,8-10,14H2,(H,15,17) [H]C#CC([H])([H])C([H])([H])N([H])C(=O)c1c([H])c([H])c(C([H])([H])C([H])([H])N([H])N([H])[H])c([H])c1[H] [H]C#CC([H])([H])C([H])([H])N([H])C(=O)c1c([H])c([H])c(C([H])([H])C([H])([H])N([H])N([H])[H])c([H])c1[H] PFOISSVZTIBCCB-UHFFFAOYSA-N . LDPC0202 Alkylaryl probe 1 ABPP Probe 15567523 (Prop-2-yn-1-yl)hydrazine; 6068-67-3; prop-2-ynylhydrazine; PROP-2-YNYL-HYDRAZINE; 1-(2-propynyl)hydrazine; propargylhydrazine; N-(prop-2-yn-1-yl)-hydrazine; DTXSID20574430; CYCYZHMUOSKYBG-UHFFFAOYSA-N; AKOS006307124; EN300-261024 70.09 C3H6N2 38 49.2 -0.8 5 2 2 1 InChI=1S/C3H6N2/c1-2-3-5-4/h1,5H,3-4H2 C#CCNN C#CCNN CYCYZHMUOSKYBG-UHFFFAOYSA-N prop-2-ynylhydrazine LDPC0203 Alkylaryl probe 2 ABPP Probe 138707774 SCHEMBL21084296 203.24 C11H13N3O 67.2 248 1 15 3 3 4 InChI=1S/C11H13N3O/c1-2-3-8-13-11(15)9-4-6-10(14-12)7-5-9/h1,4-7,14H,3,8,12H2,(H,13,15) C#CCCNC(=O)C1=CC=C(C=C1)NN C#CCCNC(=O)C1=CC=C(C=C1)NN YMXFNYQGDWBRIR-UHFFFAOYSA-N N-but-3-ynyl-4-hydrazinylbenzamide LDPC0204 AZ-9 ABPP Probe 165640300 2422137-06-0; 3-(4-(Prop-2-yn-1-yloxy)phenyl)-2H-azirine; 3-[4-(prop-2-yn-1-yloxy)phenyl]-2H-azirine; EN300-28268157 171.19 C11H9NO 21.6 253 1.7 13 0 2 3 InChI=1S/C11H9NO/c1-2-7-13-10-5-3-9(4-6-10)11-8-12-11/h1,3-6H,7-8H2 C#CCOC1=CC=C(C=C1)C2=NC2 C#CCOC1=CC=C(C=C1)C2=NC2 QDMVCUAYFOASAL-UHFFFAOYSA-N 3-(4-prop-2-ynoxyphenyl)-2H-azirine LDPC0205 AZ-5 ABPP Probe . . 305.333 C19H15NO3 47.89 305.1051933 3.0292 23 0 4 5 InChI=1S/C19H15NO3/c1-3-12-23-16-10-8-14(9-11-16)18-17(20-18)13-4-6-15(7-5-13)19(21)22-2/h1,4-11,18H,12H2,2H3 C#CCOc1ccc(C2N=C2c2ccc(C(=O)OC)cc2)cc1 C#CCOc1ccc(C2N=C2c2ccc(C(=O)OC)cc2)cc1 UDZBSTMSIRADCW-UHFFFAOYSA-N . LDPC0206 VE-P PAL-AfBPP Probe . . 1044.258 C51H81N9O14 287.71 1043.590298 1.9021 74 5 17 18 InChI=1S/C51H81N9O14/c1-13-15-20-50(55-56-50)21-19-41(64)74-59-29-40(63)57(10)28-38(61)52-27-39(62)58(11)30-42(65)72-44(31(3)4)43(47(67)60-36(46(59)66)17-16-23-53-60)54-48(68)49(9,69)51(70)22-18-37(71-12)45(73-51)35(8)26-34(7)25-33(6)24-32(5)14-2/h1,26,31-34,36-37,43-45,53,69-70H,14-25,27-30H2,2-12H3,(H,52,61)(H,54,68)/b35-26+/t32-,33+,34+,36-,37+,43+,44+,45-,49-,51?/m1/s1 C#CCCC1(CCC(=O)ON2CC(=O)N(C)CC(=O)NCC(=O)N(C)CC(=O)O[C@@H](C(C)C)[C@H](NC(=O)[C@@](C)(O)C3(O)CC[C@H](OC)[C@@H](/C(C)=C/[C@@H](C)C[C@@H](C)C[C@H](C)CC)O3)C(=O)N3NCCC[C@@H]3C2=O)N=N1 C#CCCC1(CCC(=O)ON2CC(=O)N(C)CC(=O)NCC(=O)N(C)CC(=O)OC(C(C)C)C(NC(=O)C(C)(O)C3(O)CCC(OC)C(C(C)=CC(C)CC(C)CC(C)CC)O3)C(=O)N3NCCCC3C2=O)N=N1 KOKTULGXTBKYMV-DBCFZWIJSA-N . LDPC0207 DR-1 PAL-AfBPP Probe 156015177 CHEMBL4640184; BDBM50538492 644.7 C34H35F3N8O2 106 1190 3.8 47 1 11 9 InChI=1S/C34H35F3N8O2/c1-3-4-7-33(41-42-33)16-31(46)44-10-8-43(9-11-44)20-24-12-27(34(35,36)37)15-28(13-24)40-32(47)25-5-6-30-23(2)19-45(21-26(30)14-25)29-17-38-22-39-18-29/h1,5-6,12-15,17-18,22-23H,4,7-11,16,19-21H2,2H3,(H,40,47) CC1CN(CC2=C1C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)CN4CCN(CC4)C(=O)CC5(N=N5)CCC#C)C6=CN=CN=C6 CC1CN(CC2=C1C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)CN4CCN(CC4)C(=O)CC5(N=N5)CCC#C)C6=CN=CN=C6 QZBJIPGACUJRSR-UHFFFAOYSA-N N-[3-[[4-[2-(3-but-3-ynyldiazirin-3-yl)acetyl]piperazin-1-yl]methyl]-5-(trifluoromethyl)phenyl]-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide LDPC0208 Photoprobe 10 PAL-AfBPP Probe 145998132 . 528.5 C25H27F3N8O2 110 917 2.7 38 2 12 7 InChI=1S/C25H27F3N8O2/c1-2-8-29-22(38)20-14-21(36-9-7-19(37)16-36)31-23(30-20)35-12-10-34(11-13-35)15-17-3-5-18(6-4-17)24(32-33-24)25(26,27)28/h1,3-6,14,19,37H,7-13,15-16H2,(H,29,38)/t19-/m1/s1 C#CCNC(=O)C1=CC(=NC(=N1)N2CCN(CC2)CC3=CC=C(C=C3)C4(N=N4)C(F)(F)F)N5CC[C@H](C5)O C#CCNC(=O)C1=CC(=NC(=N1)N2CCN(CC2)CC3=CC=C(C=C3)C4(N=N4)C(F)(F)F)N5CCC(C5)O JGLVOODTHKCYJM-LJQANCHMSA-N 6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-prop-2-ynyl-2-[4-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-4-carboxamide LDPC0209 YY4-yne ABPP Probe 154720189 . 575.1 C33H39ClN4O3 64.2 963 4.4 41 0 4 9 InChI=1S/C33H39ClN4O3/c1-2-3-12-31(39)36-19-17-35(18-20-36)29-11-7-10-26(22-29)33(41)37-16-15-30(38(28-13-14-28)32(40)23-34)27(24-37)21-25-8-5-4-6-9-25/h1,4-11,22,27-28,30H,3,12-21,23-24H2 C#CCCC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)N3CCC(C(C3)CC4=CC=CC=C4)N(C5CC5)C(=O)CCl C#CCCC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)N3CCC(C(C3)CC4=CC=CC=C4)N(C5CC5)C(=O)CCl UDLORELTOGMQDW-UHFFFAOYSA-N N-[3-benzyl-1-[3-(4-pent-4-ynoylpiperazin-1-yl)benzoyl]piperidin-4-yl]-2-chloro-N-cyclopropylacetamide LDPC0210 m-APA ABPP Probe 104682 3-EA;3-ea;3-Ea; 3-Ethynylaniline;3-Aminophenylacetylene;54060-30-9;Benzenamine, 3-ethynyl-;3-ethynylbenzenamine;m-Aminophenylacetylene;DU8GFZ5KGE;MFCD00014779;m-ethynylaniline;3-ethynylphenylamine;(m-Aminophenyl)acetylene;3-Ethynlaniline;3-ethynyl-aniline;3-Ethynyl aniline;EINECS 258-944-6;3-ethynyl-benzenamin;3-Ethynylaniline #;3-ethynyl-phenylamine;m-aminophenyl acetylene;3-amino-phenylacetylene;3-aminophenyl acetylene;(3-Ethynylphenyl)amine;3-Amino phenylacetylene;UNII-DU8GFZ5KGE;3-amino-phenyl acetylene;(3-Aminophenyl)acetylene;1-Amino-3-ethynylbenzene;3-Ethynylaniline, >=98%;3-ETHYNYLANILINE (3-AMINOPHENYL ACETYLENE);SCHEMBL107461;CHEMBL4212090;DTXSID30885746;BCP26724;STR05978;AC-068;AKOS009116045;CS-W007423;HY-W007423;BP-21433;3-ethynylbenzenamine;3-Aminophenylacetylene;A1122;A7863;AM20050517;NS00056620;EN300-26967;F11443;A830615;Q-101339;F5608-0061;Z235485474 117.15 C8H7N 26 131 1.3 9 1 1 1 InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2 C#CC1=CC(=CC=C1)N C#CC1=CC(=CC=C1)N NNKQLUVBPJEUOR-UHFFFAOYSA-N 3-ethynylaniline LDPC0211 P21 ABPP Probe . . 581.716 C38H35N3O3 78.51 581.267842 7.2964 44 2 3 9 InChI=1S/C38H35N3O3/c1-3-27-15-25-34(26-16-27)41(38(44)31-21-23-33(24-22-31)39-35(42)4-2)36(37(43)40-32-13-9-6-10-14-32)30-19-17-29(18-20-30)28-11-7-5-8-12-28/h1,4-5,7-8,11-12,15-26,32,36H,2,6,9-10,13-14H2,(H,39,42)(H,40,43) C#Cc1ccc(N(C(=O)c2ccc(NC(=O)C=C)cc2)C(C(=O)NC2CCCCC2)c2ccc(-c3ccccc3)cc2)cc1 C#Cc1ccc(N(C(=O)c2ccc(NC(=O)C=C)cc2)C(C(=O)NC2CCCCC2)c2ccc(-c3ccccc3)cc2)cc1 KPOXOJLLQXXHBI-UHFFFAOYSA-N . LDPC0212 P26 ABPP Probe . . 442.899 C23H23ClN2O5 84.94 442.1295495 2.691 31 1 5 10 InChI=1S/C23H23ClN2O5/c1-3-14-31-19-12-10-17(11-13-19)22(23(29)25-16-21(28)30-4-2)26(20(27)15-24)18-8-6-5-7-9-18/h1,5-13,22H,4,14-16H2,2H3,(H,25,29) C#CCOc1ccc(C(C(=O)NCC(=O)OCC)N(C(=O)CCl)c2ccccc2)cc1 C#CCOc1ccc(C(C(=O)NCC(=O)OCC)N(C(=O)CCl)c2ccccc2)cc1 GWZQOJFPAZKYIG-UHFFFAOYSA-N . LDPC0213 photo_BS PAL-AfBPP Probe . . 496.553 C22H24N8O4S 152.3 496.1641222 3.29374 35 2 10 12 InChI=1S/C22H24N8O4S/c1-5-6-9-22(28-29-22)10-11-34-21(31)23-19-13-18(26-30-15(3)24-25-20(19)30)16-8-7-14(2)17(12-16)27-35(4,32)33/h1,7-8,12-13,27H,6,9-11H2,2-4H3,(H,23,31) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])OC(=O)N([H])c2c([H])c(-c3c([H])c([H])c(C([H])([H])[H])c(N([H])S(=O)(=O)C([H])([H])[H])c3[H])nn3c(C([H])([H])[H])nnc23)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])OC(=O)N([H])c2c([H])c(-c3c([H])c([H])c(C([H])([H])[H])c(N([H])S(=O)(=O)C([H])([H])[H])c3[H])nn3c(C([H])([H])[H])nnc23)N=N1 VLOAAUONQRPQJG-UHFFFAOYSA-N . LDPC0214 ILS-1 ABPP Probe . . 358.434 C21H26O5 83.83 358.1780239 2.0707 26 2 5 5 InChI=1S/C21H26O5/c1-5-6-7-8-15(22)26-12-19(3)11-14-16(18(19)24)13(2)21(9-10-21)20(4,25)17(14)23/h1,11,18,24-25H,6-10,12H2,2-4H3/t18-,19+,20+/m1/s1 C#CCCCC(=O)OC[C@]1(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(C)=C2[C@H]1O C#CCCCC(=O)OCC1(C)C=C2C(=O)C(C)(O)C3(CC3)C(C)=C2C1O JSVGPGSGTTXNED-AABGKKOBSA-N . LDPC0215 ILS-2 ABPP Probe . . 364.441 C23H24O4 66.76 364.1674592 2.7843 27 2 4 3 InChI=1S/C23H24O4/c1-5-15-7-6-8-16(11-15)27-20-18-14(2)23(9-10-23)22(4,26)19(25)17(18)12-21(20,3)13-24/h1,6-8,11-12,20,24,26H,9-10,13H2,2-4H3/t20-,21-,22-/m0/s1 C#Cc1cccc(O[C@H]2C3=C(C)C4(CC4)[C@@](C)(O)C(=O)C3=C[C@@]2(C)CO)c1 C#Cc1cccc(OC2C3=C(C)C4(CC4)C(C)(O)C(=O)C3=CC2(C)CO)c1 ADRDQIVLCYJVMU-FKBYEOEOSA-N . LDPC0216 ILS-1 PP PAL-AfBPP Probe . . 398.459 C22H26N2O5 108.55 398.1841719 2.2328 29 2 7 6 InChI=1S/C22H26N2O5/c1-5-6-7-22(23-24-22)11-15(25)29-12-19(3)10-14-16(18(19)27)13(2)21(8-9-21)20(4,28)17(14)26/h1,10,18,27-28H,6-9,11-12H2,2-4H3/t18-,19+,20+/m1/s1 C#CCCC1(CC(=O)OC[C@]2(C)C=C3C(=O)[C@](C)(O)C4(CC4)C(C)=C3[C@H]2O)N=N1 C#CCCC1(CC(=O)OCC2(C)C=C3C(=O)C(C)(O)C4(CC4)C(C)=C3C2O)N=N1 NWBYPHHSDMMZRO-AABGKKOBSA-N . LDPC0217 EN PAL-AfBPP Probe . . 524.581 C29H28N6O4 134.14 524.2172034 5.0545 39 3 7 12 InChI=1S/C29H28N6O4/c1-2-3-15-29(34-35-29)16-14-26(36)32-24-8-4-5-9-25(24)33-27(37)23-12-10-21(11-13-23)19-31-28(38)39-20-22-7-6-17-30-18-22/h1,4-13,17-18H,3,14-16,19-20H2,(H,31,38)(H,32,36)(H,33,37) C#CCCC1(CCC(=O)Nc2ccccc2NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)N=N1 C#CCCC1(CCC(=O)Nc2ccccc2NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)N=N1 QRLLLXVYBOECNO-UHFFFAOYSA-N . LDPC0218 CA PAL-AfBPP Probe . . 496.523 C28H24N4O5 112.21 496.1746699 3.9862 37 0 9 7 InChI=1S/C28H24N4O5/c1-3-5-11-27(30-31-27)12-10-23(33)37-28(4-2)20-14-22-24-18(13-17-8-6-7-9-21(17)29-24)15-32(22)25(34)19(20)16-36-26(28)35/h1,6-9,13-14H,4-5,10-12,15-16H2,2H3/t28-/m0/s1 C#CCCC1(CCC(=O)O[C@]2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)N=N1 C#CCCC1(CCC(=O)OC2(CC)C(=O)OCc3c2cc2n(c3=O)Cc3cc4ccccc4nc3-2)N=N1 NZSGPEBAOFLNMD-NDEPHWFRSA-N . LDPC0219 Probe 12 PAL-AfBPP Probe . . 531.665 C28H37N9O2 141.71 531.3070214 4.174 39 4 10 15 InChI=1S/C28H37N9O2/c1-5-7-13-28(35-36-28)14-12-23(39)29-15-20-8-10-21(11-9-20)16-30-25-24-26(37(18-31-24)19(3)4)34-27(33-25)32-22(6-2)17-38/h1,8-11,18-19,22,38H,6-7,12-17H2,2-4H3,(H,29,39)(H2,30,32,33,34)/t22-/m1/s1 C#CCCC1(CCC(=O)NCc2ccc(CNc3nc(N[C@H](CC)CO)nc4c3ncn4C(C)C)cc2)N=N1 C#CCCC1(CCC(=O)NCc2ccc(CNc3nc(NC(CC)CO)nc4c3ncn4C(C)C)cc2)N=N1 SKMHZEZIQYAMGV-JOCHJYFZSA-N . LDPC0220 AF-1 ABPP Probe . . 509.969 C26H25ClFN5O3 88.61 509.1629956 4.3933 36 2 7 9 InChI=1S/C26H25ClFN5O3/c1-3-9-33(2)10-4-5-25(34)32-23-13-19-22(14-24(23)36-18-8-11-35-15-18)29-16-30-26(19)31-17-6-7-21(28)20(27)12-17/h1,4-7,12-14,16,18H,8-11,15H2,2H3,(H,32,34)(H,29,30,31)/b5-4+/t18-/m0/s1 C#CCN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 C#CCN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1 BXMQVRGFXMESIR-WRFKIARRSA-N . LDPC0221 AF-2 ABPP Probe . . 483.891 C22H19ClFN7O3 134.13 483.1221934 5.1386 34 2 7 8 InChI=1S/C22H19ClFN7O3/c23-16-8-13(3-4-17(16)24)29-22-15-9-19(30-21(32)2-1-6-28-31-25)20(10-18(15)26-12-27-22)34-14-5-7-33-11-14/h1-4,8-10,12,14H,5-7,11H2,(H,30,32)(H,26,27,29)/b2-1+/t14-/m0/s1 [N-]=[N+]=NC/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 [N-]=[N+]=NCC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1 CZMRHBQQBMMLSG-YUKKFKLSSA-N . LDPC0222 Backus_15 ABPP Probe 168310849 PD193581 542.6 C28H38N4O7 152 1040 2.9 39 4 7 13 InChI=1S/C28H38N4O7/c33-24(29-16-9-17-31-28(37)39-21-11-4-2-1-3-5-12-21)19-38-25(34)14-8-15-30-26(35)22-18-20-10-6-7-13-23(20)32-27(22)36/h1-2,8,14,18,21H,3-7,9-13,15-17,19H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36) C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NCC=CC(=O)OCC(=O)NCCCNC(=O)OC3CCCC=CCC3 C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NCC=CC(=O)OCC(=O)NCCCNC(=O)OC3CCCC=CCC3 XBCNCWLUITUPGM-UHFFFAOYSA-N [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxoethyl] 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]but-2-enoate LDPC0224 TER-AC ABPP Probe . . 683.273 C39H45ClN5O4+ 89.11 682.315459 4.8941 49 1 5 11 InChI=1S/C39H44ClN5O4/c1-6-13-33(41-36(46)26-40)39(48)45-22-20-44(21-23-45)38(47)30-15-12-11-14-29(30)37-31-18-16-27(42(7-2)8-3)24-34(31)49-35-25-28(17-19-32(35)37)43(9-4)10-5/h1,11-12,14-19,24-25,33H,7-10,13,20-23,26H2,2-5H3/p+1/t33-/m0/s1 C#CC[C@H](NC(=O)CCl)C(=O)N1CCN(C(=O)c2ccccc2-c2c3ccc(=[N+](CC)CC)cc-3oc3cc(N(CC)CC)ccc23)CC1 C#CCC(NC(=O)CCl)C(=O)N1CCN(C(=O)c2ccccc2-c2c3ccc(=[N+](CC)CC)cc-3oc3cc(N(CC)CC)ccc23)CC1 LQEHCJZEUQQHPD-XIFFEERXSA-O . LDPC0225 TPP-AC ABPP Probe . . 506.006 C29H31ClN2O2P+ 58.2 505.180619 3.6238 35 2 2 12 InChI=1S/C29H30ClN2O2P/c1-2-14-27(32-28(33)23-30)29(34)31-21-12-13-22-35(24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h1,3-11,15-20,27H,12-14,21-23H2,(H-,31,32,33,34)/p+1/t27-/m0/s1 C#CC[C@H](NC(=O)CCl)C(=O)NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 C#CCC(NC(=O)CCl)C(=O)NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 JHZMEMHJDCEHML-MHZLTWQESA-O . LDPC0226 MPP-AC ABPP Probe . . 836.48 C39H66ClN11O7 305.61 835.4835211 -0.39293 58 11 9 26 InChI=1S/C39H66ClN11O7/c1-2-12-28(47-32(52)23-40)35(55)46-24-33(53)48-30(21-25-13-5-3-6-14-25)37(57)50-29(18-11-20-45-39(43)44)36(56)51-31(22-26-15-7-4-8-16-26)38(58)49-27(34(42)54)17-9-10-19-41/h1,25-31H,3-24,41H2,(H2,42,54)(H,46,55)(H,47,52)(H,48,53)(H,49,58)(H,50,57)(H,51,56)(H4,43,44,45)/t27-,28-,29+,30-,31-/m0/s1 C#CC[C@H](NC(=O)CCl)C(=O)NCC(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCCN)C(N)=O C#CCC(NC(=O)CCl)C(=O)NCC(=O)NC(CC1CCCCC1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(=O)NC(CCCCN)C(N)=O PTFQRWQCGQEABJ-YSLHKSLUSA-N . LDPC0227 CR-1 PAL-AfBPP Probe . . 562.718 C34H38N6O2 76.27 562.3056245 6.118 42 1 8 11 InChI=1S/C34H38N6O2/c1-3-4-14-34(37-38-34)15-16-35-26-12-17-39(18-13-26)31-7-5-6-25-8-9-27(19-29(25)31)40-24-36-30-20-28(10-11-32(30)40)42-23-33(2)21-41-22-33/h1,5-11,19-20,24,26,35H,4,12-18,21-23H2,2H3 C#CCCC1(CCNC2CCN(c3cccc4ccc(-n5cnc6cc(OCC7(C)COC7)ccc65)cc34)CC2)N=N1 C#CCCC1(CCNC2CCN(c3cccc4ccc(-n5cnc6cc(OCC7(C)COC7)ccc65)cc34)CC2)N=N1 SNBJBCHCPLHYDH-UHFFFAOYSA-N . LDPC0228 Nap-2 ABPP Probe . . 758.694 C41H32BrN3O5S 112.65 757.1246042 6.8376 51 2 6 13 InChI=1S/C41H32BrN3O5S/c1-2-3-12-36(46)44-34(25-26-13-15-28(16-14-26)38(47)27-8-5-4-6-9-27)39(48)43-23-24-45-40(49)32-11-7-10-31-35(22-21-33(37(31)32)41(45)50)51-30-19-17-29(42)18-20-30/h1,4-11,13-22,34H,3,12,23-25H2,(H,43,48)(H,44,46) C#CCCC(=O)NC(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)NCCN1C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc(c23)C1=O C#CCCC(=O)NC(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)NCCN1C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc(c23)C1=O HKIBCRDMLWSDDF-UHFFFAOYSA-N . LDPC0229 HM-2 PAL-AfBPP Probe . . 824.895 C45H44N8O8 177.02 824.3282104 6.6676 61 1 15 17 InChI=1S/C45H44N8O8/c1-6-7-16-45(49-50-45)17-20-60-32-12-13-37-34(23-32)36(54)26-42(61-37)44(55)46-35-25-41(59-5)40(58-4)24-33(35)43-47-51-53(48-43)31-10-8-28(9-11-31)14-18-52-19-15-29-21-38(56-2)39(57-3)22-30(29)27-52/h1,8-13,21-26H,7,14-20,27H2,2-5H3,(H,46,55) C#CCCC1(CCOc2ccc3oc(C(=O)Nc4cc(OC)c(OC)cc4-c4nnn(-c5ccc(CCN6CCc7cc(OC)c(OC)cc7C6)cc5)n4)cc(=O)c3c2)N=N1 C#CCCC1(CCOc2ccc3oc(C(=O)Nc4cc(OC)c(OC)cc4-c4nnn(-c5ccc(CCN6CCc7cc(OC)c(OC)cc7C6)cc5)n4)cc(=O)c3c2)N=N1 IVKOCSRUYISXGX-UHFFFAOYSA-N . LDPC0230 AR-2 PAL-AfBPP Probe . . 564.679 C32H40N2O7 138.76 564.2835516 4.2983 41 2 9 7 InChI=1S/C32H40N2O7/c1-4-5-13-31(33-34-31)15-12-25(36)41-21-10-14-29(2)20(17-21)7-8-23-26(29)27(37)28(38)30(3)22(11-16-32(23,30)39)19-6-9-24(35)40-18-19/h1,6,9,18,20-23,26-27,37,39H,5,7-8,10-17H2,2-3H3/t20?,21-,22+,23?,26?,27-,29-,30-,32-/m0/s1 C#CCCC1(CCC(=O)O[C@H]2CC[C@@]3(C)C(CCC4C3[C@H](O)C(=O)[C@]3(C)[C@@H](c5ccc(=O)oc5)CC[C@]43O)C2)N=N1 C#CCCC1(CCC(=O)OC2CCC3(C)C(CCC4C3C(O)C(=O)C3(C)C(c5ccc(=O)oc5)CCC43O)C2)N=N1 WZFDVPPAJOBKIE-NXEZVMBRSA-N . LDPC0231 HM-1 PAL-AfBPP Probe . . 742.789 C41H38N6O8 152.3 742.2751122 5.3352 55 1 13 13 InChI=1S/C41H38N6O8/c1-6-17-54-29-11-12-34-31(20-29)33(48)23-39(55-34)41(49)42-32-22-38(53-5)37(52-4)21-30(32)40-43-45-47(44-40)28-9-7-25(8-10-28)13-15-46-16-14-26-18-35(50-2)36(51-3)19-27(26)24-46/h1,7-12,18-23H,13-17,24H2,2-5H3,(H,42,49) C#CCOc1ccc2oc(C(=O)Nc3cc(OC)c(OC)cc3-c3nnn(-c4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)n3)cc(=O)c2c1 C#CCOc1ccc2oc(C(=O)Nc3cc(OC)c(OC)cc3-c3nnn(-c4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)n3)cc(=O)c2c1 AMBSMYQMPUNGTR-UHFFFAOYSA-N . LDPC0232 AR-1 PAL-AfBPP Probe . . 510.627 C30H38O7 114.04 510.2617536 3.7461 37 2 7 5 InChI=1S/C30H38O7/c1-4-5-6-7-24(32)37-20-12-14-28(2)19(16-20)9-10-22-25(28)26(33)27(34)29(3)21(13-15-30(22,29)35)18-8-11-23(31)36-17-18/h1,8,11,17,19-22,25-26,33,35H,5-7,9-10,12-16H2,2-3H3/t19?,20-,21+,22?,25?,26-,28-,29-,30-/m0/s1 C#CCCCC(=O)O[C@H]1CC[C@@]2(C)C(CCC3C2[C@H](O)C(=O)[C@]2(C)[C@@H](c4ccc(=O)oc4)CC[C@]32O)C1 C#CCCCC(=O)OC1CCC2(C)C(CCC3C2C(O)C(=O)C2(C)C(c4ccc(=O)oc4)CCC32O)C1 ZYUOEHLBALQILW-AVFYFLACSA-N . LDPC0233 EA-probe ABPP Probe . . 327.163 C15H12Cl2O4 63.6 326.0112642 3.6091 21 1 3 7 InChI=1S/C15H12Cl2O4/c1-3-4-5-9(2)15(20)10-6-7-11(14(17)13(10)16)21-8-12(18)19/h1,6-7H,2,4-5,8H2,(H,18,19) C#CCCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl C#CCCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl YOXHWLJKHORBNH-UHFFFAOYSA-N . LDPC0234 AX-1 PAL-AfBPP Probe . . 646.719 C38H35FN4O5 103.51 646.2591484 8.09922 48 1 8 12 InChI=1S/C38H35FN4O5/c1-6-8-16-38(41-42-38)17-18-47-34-20-25-10-9-11-31(27(25)22-33(34)46-5)48-32-15-13-26(21-29(32)39)40-37(45)35-23(3)43(4)30-14-12-24(7-2)19-28(30)36(35)44/h1,9-15,19-22H,7-8,16-18H2,2-5H3,(H,40,45) C#CCCC1(CCOc2cc3cccc(Oc4ccc(NC(=O)c5c(C)n(C)c6ccc(CC)cc6c5=O)cc4F)c3cc2OC)N=N1 C#CCCC1(CCOc2cc3cccc(Oc4ccc(NC(=O)c5c(C)n(C)c6ccc(CC)cc6c5=O)cc4F)c3cc2OC)N=N1 PCNFWIAULQZKSJ-UHFFFAOYSA-N . LDPC0235 Probe 8 PAL-AfBPP Probe . . 480.497 C19H15F3N6O2S2 100.66 480.0650004 5.2027 32 1 9 7 InChI=1S/C19H15F3N6O2S2/c1-3-4-9-30-17-23-13(16(31-17)24-15(29)14-10(2)25-28-32-14)11-5-7-12(8-6-11)18(26-27-18)19(20,21)22/h1,5-8,10,14H,4,9H2,2H3,(H,24,29) C#CCCOc1nc(-c2ccc(C3(C(F)(F)F)N=N3)cc2)c(NC(=O)C2SN=NC2C)s1 C#CCCOc1nc(-c2ccc(C3(C(F)(F)F)N=N3)cc2)c(NC(=O)C2SN=NC2C)s1 PJJYESYTTBBHCL-UHFFFAOYSA-N . LDPC0236 AOyne ABPP Probe 170898413 O-(Hex-5-yn-1-yl)hydroxylamine 113.16 C6H11NO 35.2 81.8 0.6 8 1 2 4 InChI=1S/C6H11NO/c1-2-3-4-5-6-8-7/h1H,3-7H2 C#CCCCCON C#CCCCCON QQXXTUURZYKURP-UHFFFAOYSA-N O-hex-5-ynylhydroxylamine LDPC0245 YN-1 ABPP Probe 164946934 N,4-Diethynyl-N-methylbenzenesulfonamide; CHEMBL5172852; GLXC-26067; N,4-diethynyl-N-methylbenzene-1-sulfonamide; EN300-37476961; 2901086-07-3 219.26 C11H9NO2S 45.8 407 1.7 15 0 3 4 InChI=1S/C11H9NO2S/c1-4-10-6-8-11(9-7-10)15(13,14)12(3)5-2/h1-2,6-9H,3H3 CN(C#C)S(=O)(=O)C1=CC=C(C=C1)C#C CN(C#C)S(=O)(=O)C1=CC=C(C=C1)C#C XAIUFEFEURININ-UHFFFAOYSA-N N,4-diethynyl-N-methylbenzenesulfonamide LDPC0246 YN-4 ABPP Probe 164946935 CHEMBL5192185; YN-4; GLXC-26068; BDBM50594443; N-Ethynyl-4-(((4-(3-ethynylphenoxy)quinazolin-6-yl)oxy)methyl)-N-methylbenzenesulfonamide 469.5 C26H19N3O4S 90 877 4.6 34 0 7 9 InChI=1S/C26H19N3O4S/c1-4-19-7-6-8-22(15-19)33-26-24-16-21(11-14-25(24)27-18-28-26)32-17-20-9-12-23(13-10-20)34(30,31)29(3)5-2/h1-2,6-16,18H,17H2,3H3 CN(C#C)S(=O)(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N=CN=C3OC4=CC=CC(=C4)C#C CN(C#C)S(=O)(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N=CN=C3OC4=CC=CC(=C4)C#C DVPGLMQVEAWGCU-UHFFFAOYSA-N N-ethynyl-4-[[4-(3-ethynylphenoxy)quinazolin-6-yl]oxymethyl]-N-methylbenzenesulfonamide LDPC0247 P1 ABPP Probe . . 228.295 C14H16N2O 32.34 228.1262631 1.7463 17 1 2 5 InChI=1S/C14H16N2O/c1-3-11-16(2)12-7-10-14(17)15-13-8-5-4-6-9-13/h1,4-10H,11-12H2,2H3,(H,15,17)/b10-7+ C#CCN(C)C/C=C/C(=O)Nc1ccccc1 C#CCN(C)CC=CC(=O)Nc1ccccc1 JBZKDRUSCSSBIW-JXMROGBWSA-N . LDPC0248 P2 ABPP Probe 46844738 1233382-94-9;N-(4-ethynylphenyl)acrylamide;N-(4-ethynylphenyl)-2-propenamide;N-(4-ethynylphenyl)prop-2-enamide;SCHEMBL1497375;TYWHWZBTVJILQU-UHFFFAOYSA-N;2-Propenamide, N-(4-ethynylphenyl)-;AKOS034076391;AS-84042;DB-114886;E77741;EN300-708694;Z1509200130 171.19 C11H9NO 29.1 240 1.9 13 1 1 3 InChI=1S/C11H9NO/c1-3-9-5-7-10(8-6-9)12-11(13)4-2/h1,4-8H,2H2,(H,12,13) C=CC(=O)NC1=CC=C(C=C1)C#C C=CC(=O)NC1=CC=C(C=C1)C#C TYWHWZBTVJILQU-UHFFFAOYSA-N N-(4-ethynylphenyl)prop-2-enamide LDPC0249 P3 ABPP Probe 137950906 2249695-94-9; EN300-26575790; (E)-4-(Dimethylamino)-N-(4-prop-2-ynoxyphenyl)but-2-enamide; 4-(dimethylamino)-N-[4-(prop-2-yn-1-yloxy)phenyl]but-2-enamide 258.32 C15H18N2O2 41.6 346 1.5 19 1 3 6 InChI=1S/C15H18N2O2/c1-4-12-19-14-9-7-13(8-10-14)16-15(18)6-5-11-17(2)3/h1,5-10H,11-12H2,2-3H3,(H,16,18)/b6-5+ CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)OCC#C CN(C)CC=CC(=O)NC1=CC=C(C=C1)OCC#C PIDAROUISLSFJF-AATRIKPKSA-N (E)-4-(dimethylamino)-N-(4-prop-2-ynoxyphenyl)but-2-enamide LDPC0250 P8 ABPP Probe . . 202.217 C10H10N4O 77.86 202.0854609 2.4916 15 1 2 4 InChI=1S/C10H10N4O/c11-14-12-8-4-7-10(15)13-9-5-2-1-3-6-9/h1-7H,8H2,(H,13,15)/b7-4+ [N-]=[N+]=NC/C=C/C(=O)Nc1ccccc1 [N-]=[N+]=NCC=CC(=O)Nc1ccccc1 IEEWCKDFVLXTEU-QPJJXVBHSA-N . LDPC0253 THZ1-DTB ABPP Probe . . 1022.649 C53H68ClN11O8 242.06 1021.494086 6.826 73 8 13 33 InChI=1S/C53H68ClN11O8/c1-37-46(63-53(70)59-37)13-4-3-5-15-48(67)56-25-29-72-31-33-73-32-30-71-28-24-55-23-21-42(66)22-27-65(2)26-9-16-49(68)60-39-19-17-38(18-20-39)51(69)61-40-10-8-11-41(34-40)62-52-58-36-45(54)50(64-52)44-35-57-47-14-7-6-12-43(44)47/h6-12,14,16-20,34-37,46,55,57H,3-5,13,15,21-33H2,1-2H3,(H,56,67)(H,60,68)(H,61,69)(H,58,62,64)(H2,59,63,70)/b16-9+/t37-,46+/m1/s1 C[C@H]1NC(=O)N[C@H]1CCCCCC(=O)NCCOCCOCCOCCNCCC(=O)CCN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1 CC1NC(=O)NC1CCCCCC(=O)NCCOCCOCCOCCNCCC(=O)CCN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1 HRXJVICEPGPJPY-KZWKZLSRSA-N . LDPC0254 JZ128-DTB ABPP Probe . . 988.204 C53H69N11O8 242.06 987.5330582 6.43852 72 8 12 31 InChI=1S/C53H69N11O8/c1-37-11-7-15-46-50(37)43(36-57-46)45-23-24-56-52(62-45)61-42-13-8-12-41(35-42)60-51(68)39-19-21-40(22-20-39)59-49(67)18-10-28-64(3)27-9-17-48(66)55-26-30-71-32-34-72-33-31-70-29-25-54-47(65)16-6-4-5-14-44-38(2)58-53(69)63-44/h7-8,10-13,15,18-24,35-36,38,44,57H,4-6,9,14,16-17,25-34H2,1-3H3,(H,54,65)(H,55,66)(H,59,67)(H,60,68)(H,56,61,62)(H2,58,63,69)/b18-10+/t38-,44+/m1/s1 Cc1cccc2[nH]cc(-c3ccnc(Nc4cccc(NC(=O)c5ccc(NC(=O)/C=C/CN(C)CCCC(=O)NCCOCCOCCOCCNC(=O)CCCCC[C@@H]6NC(=O)N[C@@H]6C)cc5)c4)n3)c12 Cc1cccc2[nH]cc(-c3ccnc(Nc4cccc(NC(=O)c5ccc(NC(=O)C=CCN(C)CCCC(=O)NCCOCCOCCOCCNC(=O)CCCCCC6NC(=O)NC6C)cc5)c4)n3)c12 SUOYIWUEZJOKES-OKNOHJAESA-N . LDPC0256 FFF probe2 PAL-AfBPP Probe 135258339 SCHEMBL20419269 399.4 C23H21N5O2 95.3 768 3 30 2 5 7 InChI=1S/C23H21N5O2/c1-2-3-14-23(27-28-23)15-13-19(29)25-21-22(30)24-18-12-8-7-11-17(18)20(26-21)16-9-5-4-6-10-16/h1,4-12,21H,3,13-15H2,(H,24,30)(H,25,29) C#CCCC1(N=N1)CCC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4 C#CCCC1(N=N1)CCC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4 KJSMEDICYWCFEM-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propanamide LDPC0257 FFF probe3 PAL-AfBPP Probe 132274144 FFF-3;SCHEMBL20399906;CGP201703;3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(2-oxo-2H-chromen-6-yl)propanamide;2089043-46-7 309.32 C17H15N3O3 80.1 595 2.2 23 1 5 6 InChI=1S/C17H15N3O3/c1-2-3-9-17(19-20-17)10-8-15(21)18-13-5-6-14-12(11-13)4-7-16(22)23-14/h1,4-7,11H,3,8-10H2,(H,18,21) C#CCCC1(N=N1)CCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 C#CCCC1(N=N1)CCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3 DHMUUARTUSIFCZ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-oxochromen-6-yl)propanamide LDPC0258 FFF probe4 PAL-AfBPP Probe 135258377 SCHEMBL20419339 311.4 C17H17N3OS 82.1 489 3.2 22 1 4 7 InChI=1S/C17H17N3OS/c1-2-3-8-17(19-20-17)9-6-16(21)18-12-13-4-5-15-14(11-13)7-10-22-15/h1,4-5,7,10-11H,3,6,8-9,12H2,(H,18,21) C#CCCC1(N=N1)CCC(=O)NCC2=CC3=C(C=C2)SC=C3 C#CCCC1(N=N1)CCC(=O)NCC2=CC3=C(C=C2)SC=C3 NAPYCTNPMLSLEK-UHFFFAOYSA-N N-(1-benzothiophen-5-ylmethyl)-3-(3-but-3-ynyldiazirin-3-yl)propanamide LDPC0260 FFF probe6 PAL-AfBPP Probe . . 324.384 C18H20N4O2 74.13 324.1586259 2.8898 24 1 4 7 InChI=1S/C18H20N4O2/c1-3-4-10-18(20-21-18)11-9-16(23)19-14-6-7-15-13(12-14)5-8-17(24)22(15)2/h1,6-7,12H,4-5,8-11H2,2H3,(H,19,23) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c3c(c2[H])C([H])([H])C([H])([H])C(=O)N3C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c3c(c2[H])C([H])([H])C([H])([H])C(=O)N3C([H])([H])[H])N=N1 VZCFSFRUYNMMJK-UHFFFAOYSA-N . LDPC0261 FFF probe7 PAL-AfBPP Probe 135241433 SCHEMBL20400629 294.35 C17H18N4O 69.6 486 2.3 22 2 3 7 InChI=1S/C17H18N4O/c1-2-3-8-17(20-21-17)9-6-16(22)19-12-13-4-5-15-14(11-13)7-10-18-15/h1,4-5,7,10-11,18H,3,6,8-9,12H2,(H,19,22) C#CCCC1(N=N1)CCC(=O)NCC2=CC3=C(C=C2)NC=C3 C#CCCC1(N=N1)CCC(=O)NCC2=CC3=C(C=C2)NC=C3 ZBPGYVKNZCMIOE-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(1H-indol-5-ylmethyl)propanamide LDPC0263 FFF probe9 PAL-AfBPP Probe 135241065 SCHEMBL20400218 324.4 C19H24N4O 65.8 501 2.4 24 2 4 7 InChI=1S/C19H24N4O/c1-2-3-11-19(22-23-19)12-8-18(24)21-17-6-4-15(5-7-17)16-9-13-20-14-10-16/h1,4-7,16,20H,3,8-14H2,(H,21,24) C#CCCC1(N=N1)CCC(=O)NC2=CC=C(C=C2)C3CCNCC3 C#CCCC1(N=N1)CCC(=O)NC2=CC=C(C=C2)C3CCNCC3 HEODGZWKMIEEEO-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(4-piperidin-4-ylphenyl)propanamide LDPC0265 FFF probe11 PAL-AfBPP Probe 135258343 FFF-1;SCHEMBL20419273 400.5 C25H28N4O 48.3 621 3.9 30 0 4 8 InChI=1S/C25H28N4O/c1-2-3-15-25(26-27-25)16-14-23(30)28-17-19-29(20-18-28)24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h1,4-13,24H,3,14-20H2 C#CCCC1(N=N1)CCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 C#CCCC1(N=N1)CCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 PPPFNIBQRJQEPY-UHFFFAOYSA-N 1-(4-benzhydrylpiperazin-1-yl)-3-(3-but-3-ynyldiazirin-3-yl)propan-1-one LDPC0266 FFF probe12 PAL-AfBPP Probe 132391342 SCHEMBL20400125;AKOS034129677;Z3026367292 353.5 C20H27N5O 60.3 544 1.9 26 1 5 8 InChI=1S/C20H27N5O/c1-3-4-10-20(22-23-20)11-9-19(26)21-18-7-5-17(6-8-18)16-25-14-12-24(2)13-15-25/h1,5-8H,4,9-16H2,2H3,(H,21,26) CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)CCC3(N=N3)CCC#C CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)CCC3(N=N3)CCC#C CJJPDILNQHPZQV-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide LDPC0267 FFF probe13 PAL-AfBPP Probe 135258387 SCHEMBL20419356;1-(2-benzylpiperidin-1-yl)-3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)propan-1-one 323.4 C20H25N3O 45 506 3.7 24 0 3 7 InChI=1S/C20H25N3O/c1-2-3-13-20(21-22-20)14-12-19(24)23-15-8-7-11-18(23)16-17-9-5-4-6-10-17/h1,4-6,9-10,18H,3,7-8,11-16H2 C#CCCC1(N=N1)CCC(=O)N2CCCCC2CC3=CC=CC=C3 C#CCCC1(N=N1)CCC(=O)N2CCCCC2CC3=CC=CC=C3 WPMBACPNZNOXGJ-UHFFFAOYSA-N 1-(2-benzylpiperidin-1-yl)-3-(3-but-3-ynyldiazirin-3-yl)propan-1-one LDPC0268 FFF probe14 PAL-AfBPP Probe 135258364 SCHEMBL20419318 299.4 C18H25N3O 53.8 509 3.4 22 1 3 6 InChI=1S/C18H25N3O/c1-2-3-5-18(20-21-18)6-4-16(22)19-17-10-13-7-14(11-17)9-15(8-13)12-17/h1,13-15H,3-12H2,(H,19,22) C#CCCC1(N=N1)CCC(=O)NC23CC4CC(C2)CC(C4)C3 C#CCCC1(N=N1)CCC(=O)NC23CC4CC(C2)CC(C4)C3 YAWJNHWILCALNM-UHFFFAOYSA-N N-(1-adamantyl)-3-(3-but-3-ynyldiazirin-3-yl)propanamide LDPC0269 FFF probe15 PAL-AfBPP Probe 132392827 SCHEMBL20400697;AKOS034063859;Z2866905816 313.35 C17H19N3O3 72.3 505 2.5 23 1 5 8 InChI=1S/C17H19N3O3/c1-2-3-8-17(19-20-17)9-6-16(21)18-10-7-13-4-5-14-15(11-13)23-12-22-14/h1,4-5,11H,3,6-10,12H2,(H,18,21) C#CCCC1(N=N1)CCC(=O)NCCC2=CC3=C(C=C2)OCO3 C#CCCC1(N=N1)CCC(=O)NCCC2=CC3=C(C=C2)OCO3 APKAAFWWERXLLZ-UHFFFAOYSA-N N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-but-3-ynyldiazirin-3-yl)propanamide LDPC0270 Johansson_61 ABPP Probe 129051179 SCHEMBL18763041 380.9 C22H21ClN2O2 40.6 570 3.9 27 0 2 5 InChI=1S/C22H21ClN2O2/c1-2-17-7-6-8-18(15-17)22(27)24-13-11-20(12-14-24)25(21(26)16-23)19-9-4-3-5-10-19/h1,3-10,15,20H,11-14,16H2 C#CC1=CC(=CC=C1)C(=O)N2CCC(CC2)N(C3=CC=CC=C3)C(=O)CCl C#CC1=CC(=CC=C1)C(=O)N2CCC(CC2)N(C3=CC=CC=C3)C(=O)CCl AOMPIUUSFRUOCF-UHFFFAOYSA-N 2-chloro-N-[1-(3-ethynylbenzoyl)piperidin-4-yl]-N-phenylacetamide LDPC0271 C001 PAL-AfBPP Probe 146149756 Z3410165847 365.5 C22H27N3O2 65.3 623 3.1 27 1 4 7 InChI=1S/C22H27N3O2/c1-2-3-12-22(23-24-22)13-11-20(26)25-18-9-10-19(25)16-21(27,15-18)14-17-7-5-4-6-8-17/h1,4-8,18-19,27H,3,9-16H2 C#CCCC1(N=N1)CCC(=O)N2C3CCC2CC(C3)(CC4=CC=CC=C4)O C#CCCC1(N=N1)CCC(=O)N2C3CCC2CC(C3)(CC4=CC=CC=C4)O HTDJPGUALOXLAA-UHFFFAOYSA-N 1-(3-benzyl-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(3-but-3-ynyldiazirin-3-yl)propan-1-one LDPC0272 C002 PAL-AfBPP Probe 167812328 Z4282859887 400.5 C18H20N6O3S 140 762 1.1 28 2 7 8 InChI=1S/C18H20N6O3S/c1-3-4-8-18(22-23-18)9-7-17(25)21-15-10-14(28(19,26)27)5-6-16(15)24-12-13(2)11-20-24/h1,5-6,10-12H,4,7-9H2,2H3,(H,21,25)(H2,19,26,27) CC1=CN(N=C1)C2=C(C=C(C=C2)S(=O)(=O)N)NC(=O)CCC3(N=N3)CCC#C CC1=CN(N=C1)C2=C(C=C(C=C2)S(=O)(=O)N)NC(=O)CCC3(N=N3)CCC#C YSKYVUCTCQZZCT-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(4-methylpyrazol-1-yl)-5-sulfamoylphenyl]propanamide LDPC0273 C003 PAL-AfBPP Probe 146153069 Z4286591582 381.4 C21H23N3O4 89.4 742 3.1 28 1 6 8 InChI=1S/C21H23N3O4/c1-5-6-9-21(23-24-21)10-11-22-18(25)12-27-17-8-7-16-13(2)14(3)20(26)28-19(16)15(17)4/h1,7-8H,6,9-12H2,2-4H3,(H,22,25) CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NCCC3(N=N3)CCC#C)C CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)NCCC3(N=N3)CCC#C)C CYZLXMLODRBOBY-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide LDPC0274 C004 PAL-AfBPP Probe 146152968 Z4282860244 370.5 C18H18N4OS2 114 595 2.9 25 0 6 6 InChI=1S/C18H18N4OS2/c1-2-3-7-18(20-21-18)8-4-15(23)22-9-5-13-6-10-25-17(13)16(22)14-11-24-12-19-14/h1,6,10-12,16H,3-5,7-9H2 C#CCCC1(N=N1)CCC(=O)N2CCC3=C(C2C4=CSC=N4)SC=C3 C#CCCC1(N=N1)CCC(=O)N2CCC3=C(C2C4=CSC=N4)SC=C3 IDSIMYBTASGDLN-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[7-(1,3-thiazol-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]propan-1-one LDPC0275 C006 PAL-AfBPP Probe 146152618 Z4225953546 354.4 C19H26N6O 84.5 598 2.1 26 1 5 7 InChI=1S/C19H26N6O/c1-2-3-10-19(22-23-19)11-12-20-18(26)14-8-9-16-17(13-14)25(24-21-16)15-6-4-5-7-15/h1,14-15H,3-13H2,(H,20,26) C#CCCC1(N=N1)CCNC(=O)C2CCC3=C(C2)N(N=N3)C4CCCC4 C#CCCC1(N=N1)CCNC(=O)C2CCC3=C(C2)N(N=N3)C4CCCC4 AJCGPDVUTMEEBC-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-cyclopentyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide LDPC0276 C007 PAL-AfBPP Probe 146149771 Z3426154547 344.36 C14H15F3N4OS 95 522 2.6 23 1 8 7 InChI=1S/C14H15F3N4OS/c1-3-4-6-13(20-21-13)7-5-11(22)19-9(2)10-8-18-12(23-10)14(15,16)17/h1,8-9H,4-7H2,2H3,(H,19,22) CC(C1=CN=C(S1)C(F)(F)F)NC(=O)CCC2(N=N2)CCC#C CC(C1=CN=C(S1)C(F)(F)F)NC(=O)CCC2(N=N2)CCC#C ANRPNZCNKYUNRU-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propanamide LDPC0277 C008 PAL-AfBPP Probe 146153053 Z4286591446 338.35 C16H20F2N4O2 79.8 544 3.5 24 1 7 8 InChI=1S/C16H20F2N4O2/c1-5-6-7-16(21-22-16)8-9-19-13(23)11-10(12(17)18)20-14(24-11)15(2,3)4/h1,12H,6-9H2,2-4H3,(H,19,23) CC(C)(C)C1=NC(=C(O1)C(=O)NCCC2(N=N2)CCC#C)C(F)F CC(C)(C)C1=NC(=C(O1)C(=O)NCCC2(N=N2)CCC#C)C(F)F XCKDTAKUURLTQX-UHFFFAOYSA-N 2-tert-butyl-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(difluoromethyl)-1,3-oxazole-5-carboxamide LDPC0278 C009 PAL-AfBPP Probe 167984490 Z4282859902 332.4 C18H28N4O2 74.1 535 2.4 24 1 4 8 InChI=1S/C18H28N4O2/c1-4-5-10-18(20-21-18)11-9-15(23)19-16(14(2)3)17(24)22-12-7-6-8-13-22/h1,14,16H,5-13H2,2-3H3,(H,19,23) CC(C)C(C(=O)N1CCCCC1)NC(=O)CCC2(N=N2)CCC#C CC(C)C(C(=O)N1CCCCC1)NC(=O)CCC2(N=N2)CCC#C OYOUBARNNZNMQX-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)propanamide LDPC0279 C010 PAL-AfBPP Probe 146149842 Z3433407733 327.3 C15H16F3N3O2 67 518 2.7 23 1 7 7 InChI=1S/C15H16F3N3O2/c1-3-4-5-14(20-21-14)6-7-19-13(22)8-11-10(2)23-9-12(11)15(16,17)18/h1,9H,4-8H2,2H3,(H,19,22) CC1=C(C(=CO1)C(F)(F)F)CC(=O)NCCC2(N=N2)CCC#C CC1=C(C(=CO1)C(F)(F)F)CC(=O)NCCC2(N=N2)CCC#C YEZFODDUSPMELF-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[2-methyl-4-(trifluoromethyl)furan-3-yl]acetamide LDPC0280 C011 PAL-AfBPP Probe 146153052 Z4286591438 320.4 C19H20N4O 77.6 610 2.9 24 1 4 7 InChI=1S/C19H20N4O/c1-2-3-11-19(22-23-19)12-13-21-17(24)18(9-6-10-18)16-8-5-4-7-15(16)14-20/h1,4-5,7-8H,3,6,9-13H2,(H,21,24) C#CCCC1(N=N1)CCNC(=O)C2(CCC2)C3=CC=CC=C3C#N C#CCCC1(N=N1)CCNC(=O)C2(CCC2)C3=CC=CC=C3C#N SLYBQSDUOKDVCX-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(2-cyanophenyl)cyclobutane-1-carboxamide LDPC0281 C012 PAL-AfBPP Probe 146152617 . 319.283 C13H16F3N3O3 72.28 319.114376 1.4145 22 1 5 6 InChI=1S/C13H16F3N3O3/c1-2-3-4-12(18-19-12)5-6-17-11(20)9-10(13(14,15)16)22-8-7-21-9/h1,9-10H,3-8H2,(H,17,20)/t9-,10+/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@@]2([H])OC([H])([H])C([H])([H])O[C@@]2([H])C(F)(F)F)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2([H])OC([H])([H])C([H])([H])OC2([H])C(F)(F)F)N=N1 MKKGQBLTSFUPJL-VHSXEESVSA-N . LDPC0282 C013 PAL-AfBPP Probe 146137917 . 316.365 C15H20N6O2 84.97 316.1647739 0.8612 23 0 7 7 InChI=1S/C15H20N6O2/c1-2-3-5-15(18-19-15)6-4-14(22)20-7-8-23-13(9-20)10-21-12-16-11-17-21/h1,11-13H,3-10H2/t13-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])O[C@@]([H])(C([H])([H])n3nc([H])nc3[H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])OC([H])(C([H])([H])n3nc([H])nc3[H])C2([H])[H])N=N1 BWETYKRXWYTOGY-CYBMUJFWSA-N . LDPC0283 C014 PAL-AfBPP Probe 146152928 Z4282859889 299.37 C16H21N5O 71.6 488 1.1 22 1 4 8 InChI=1S/C16H21N5O/c1-2-3-8-16(19-20-16)9-6-15(22)17-10-7-13-12-21-11-4-5-14(21)18-13/h1,12H,3-11H2,(H,17,22) C#CCCC1(N=N1)CCC(=O)NCCC2=CN3CCCC3=N2 C#CCCC1(N=N1)CCC(=O)NCCC2=CN3CCCC3=N2 BTEQZNPKLFWTAO-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)ethyl]propanamide LDPC0284 C015 PAL-AfBPP Probe . . 288.395 C16H24N4O 57.06 288.1950114 1.941 21 1 4 6 InChI=1S/C16H24N4O/c1-3-4-8-16(18-19-16)9-7-15(21)17-13-10-12-5-6-14(13)20(2)11-12/h1,12-14H,4-11H2,2H3,(H,17,21) C#CCCC1(CCC(=O)NC2CC3CCC2N(C)C3)N=N1 C#CCCC1(CCC(=O)NC2CC3CCC2N(C)C3)N=N1 RNASXFYJEKSQDN-UHFFFAOYSA-N . LDPC0285 C017 PAL-AfBPP Probe 146152946 . 379.464 C21H25N5O2 91.87 379.200825 3.51042 28 2 6 10 InChI=1S/C21H25N5O2/c1-3-4-11-21(24-25-21)12-8-19(28)23-16-6-7-18-17(13-16)22-15(2)26(18)20(14-27)9-5-10-20/h1,6-7,13,27H,4-5,8-12,14H2,2H3,(H,23,28) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c3c(nc(C([H])([H])[H])n3C3(C([H])([H])O[H])C([H])([H])C([H])([H])C3([H])[H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c3c(nc(C([H])([H])[H])n3C3(C([H])([H])O[H])C([H])([H])C([H])([H])C3([H])[H])c2[H])N=N1 OSGRXKBUUNSQJC-UHFFFAOYSA-N . LDPC0286 C018 PAL-AfBPP Probe 146152901 . 372.425 C18H17FN4O2S 75.82 372.105625 3.3914 26 1 6 8 InChI=1S/C18H17FN4O2S/c1-2-3-7-18(21-22-18)8-6-16(24)20-15-5-4-14(19)11-13(15)12-23-9-10-26-17(23)25/h1,4-5,9-11H,3,6-8,12H2,(H,20,24) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c(F)c([H])c2C([H])([H])n2c([H])c([H])sc2=O)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c(F)c([H])c2C([H])([H])n2c([H])c([H])sc2=O)N=N1 JDWRKBFPFANFOO-UHFFFAOYSA-N . LDPC0287 C021 PAL-AfBPP Probe 166416463 Z4225927626 340.4 C13H16N4O3S2 137 597 1.9 22 2 7 8 InChI=1S/C13H16N4O3S2/c1-3-4-6-13(16-17-13)7-8-14-12(18)11-10(5-9-21-11)15-22(2,19)20/h1,5,9,15H,4,6-8H2,2H3,(H,14,18) CS(=O)(=O)NC1=C(SC=C1)C(=O)NCCC2(N=N2)CCC#C CS(=O)(=O)NC1=C(SC=C1)C(=O)NCCC2(N=N2)CCC#C ROKJEUWLCYMUHF-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(methanesulfonamido)thiophene-2-carboxamide LDPC0288 C022 PAL-AfBPP Probe 146152577 Z4225924154 333.8 C17H20ClN3O2 63 495 3.7 23 1 4 8 InChI=1S/C17H20ClN3O2/c1-4-5-10-17(20-21-17)11-12-19-15(22)16(2,3)23-14-8-6-13(18)7-9-14/h1,6-9H,5,10-12H2,2-3H3,(H,19,22) CC(C)(C(=O)NCCC1(N=N1)CCC#C)OC2=CC=C(C=C2)Cl CC(C)(C(=O)NCCC1(N=N1)CCC#C)OC2=CC=C(C=C2)Cl ONRILYPWNZNSAO-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4-chlorophenoxy)-2-methylpropanamide LDPC0289 C023 PAL-AfBPP Probe 154880773 Z4282860714 328.4 C18H24N4O2 78 619 1.8 24 0 5 5 InChI=1S/C18H24N4O2/c1-2-3-10-18(20-21-18)11-7-16(23)22-12-6-9-17(15(22)14-19)8-4-5-13-24-17/h1,15H,3-13H2 C#CCCC1(N=N1)CCC(=O)N2CCCC3(C2C#N)CCCCO3 C#CCCC1(N=N1)CCC(=O)N2CCCC3(C2C#N)CCCCO3 FAOPLMASGQYEIR-UHFFFAOYSA-N 8-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-1-oxa-8-azaspiro[5.5]undecane-7-carbonitrile LDPC0290 C024 PAL-AfBPP Probe 146152601 Z4225940040 323.34 C15H19F2N5O 71.6 509 2.3 23 1 6 8 InChI=1S/C15H19F2N5O/c1-4-5-6-15(20-21-15)7-8-18-14(23)13-10(2)19-22(11(13)3)9-12(16)17/h1,12H,5-9H2,2-3H3,(H,18,23) CC1=C(C(=NN1CC(F)F)C)C(=O)NCCC2(N=N2)CCC#C CC1=C(C(=NN1CC(F)F)C)C(=O)NCCC2(N=N2)CCC#C HBXHCILQSPRVGH-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxamide LDPC0291 C025 PAL-AfBPP Probe . . 319.434 C15H21N5OS 79.6 319.1466813 2.8075 22 1 6 7 InChI=1S/C15H21N5OS/c1-5-6-8-15(19-20-15)9-7-11(21)16-10-12-17-18-13(22-12)14(2,3)4/h1H,6-10H2,2-4H3,(H,16,21) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2nnc(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])s2)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2nnc(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])s2)N=N1 YPFXIZVIZYNJPL-UHFFFAOYSA-N . LDPC0292 C026 PAL-AfBPP Probe 146152908 Z4282859772 315.34 C17H18FN3O2 63 535 2.5 23 1 5 6 InChI=1S/C17H18FN3O2/c1-3-4-9-17(20-21-17)10-8-14(22)19-15-11(2)23-16-12(15)6-5-7-13(16)18/h1,5-7,11,15H,4,8-10H2,2H3,(H,19,22) CC1C(C2=C(O1)C(=CC=C2)F)NC(=O)CCC3(N=N3)CCC#C CC1C(C2=C(O1)C(=CC=C2)F)NC(=O)CCC3(N=N3)CCC#C FGPMMUQAJOXSAP-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)propanamide LDPC0293 C027 PAL-AfBPP Probe 166416790 Z4225960480 294.31 C15H14N6O 92.5 490 1 22 1 6 6 InChI=1S/C15H14N6O/c1-2-3-5-15(20-21-15)6-8-19-14(22)11-4-7-17-13-12(11)16-9-10-18-13/h1,4,7,9-10H,3,5-6,8H2,(H,19,22) C#CCCC1(N=N1)CCNC(=O)C2=C3C(=NC=C2)N=CC=N3 C#CCCC1(N=N1)CCNC(=O)C2=C3C(=NC=C2)N=CC=N3 ALWVNDCCVDFJKL-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]pyrido[2,3-b]pyrazine-8-carboxamide LDPC0294 C028 PAL-AfBPP Probe 146149783 Z4282860730 383.4 C17H20F3N5O2 84 624 2.5 27 0 9 7 InChI=1S/C17H20F3N5O2/c1-2-3-8-16(23-24-16)9-7-14(26)25-10-5-4-6-12(25)15-22-21-13(27-15)11-17(18,19)20/h1,12H,3-11H2 C#CCCC1(N=N1)CCC(=O)N2CCCCC2C3=NN=C(O3)CC(F)(F)F C#CCCC1(N=N1)CCC(=O)N2CCCCC2C3=NN=C(O3)CC(F)(F)F KQRBWSMJUOZACP-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one LDPC0295 C035 PAL-AfBPP Probe 146152608 . 322.412 C19H22N4O 58.75 322.1793613 3.3592 24 1 4 9 InChI=1S/C19H22N4O/c1-3-4-10-19(21-22-19)11-12-20-18(24)15(2)14-23-13-9-16-7-5-6-8-17(16)23/h1,5-9,13,15H,4,10-12,14H2,2H3,(H,20,24)/t15-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])n2c([H])c([H])c3c([H])c([H])c([H])c([H])c32)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])n2c([H])c([H])c3c([H])c([H])c([H])c([H])c32)N=N1 IPFHWUHSCKTOHD-HNNXBMFYSA-N . LDPC0296 C036 PAL-AfBPP Probe 146152639 . 316.449 C18H28N4O 57.06 316.2263115 2.7228 23 1 4 7 InChI=1S/C18H28N4O/c1-4-5-6-18(20-21-18)13-14-19-15(23)16-7-10-17(11-8-16,12-9-16)22(2)3/h1H,5-14H2,2-3H3,(H,19,23) C#CCCC1(CCNC(=O)C23CCC(N(C)C)(CC2)CC3)N=N1 C#CCCC1(CCNC(=O)C23CCC(N(C)C)(CC2)CC3)N=N1 IRFNPKDGRZDHLY-UHFFFAOYSA-N . LDPC0297 C037 PAL-AfBPP Probe 167960183 Z2866903923 313.37 C13H19N3O4S 106 587 0.1 21 1 6 8 InChI=1S/C13H19N3O4S/c1-3-4-6-13(15-16-13)7-5-11(17)14-12(8-20-9-12)10-21(2,18)19/h1H,4-10H2,2H3,(H,14,17) CS(=O)(=O)CC1(COC1)NC(=O)CCC2(N=N2)CCC#C CS(=O)(=O)CC1(COC1)NC(=O)CCC2(N=N2)CCC#C IVUMMXJZCFJXRM-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(methylsulfonylmethyl)oxetan-3-yl]propanamide LDPC0298 C038 PAL-AfBPP Probe 146152899 . 302.382 C15H22N6O 95.39 302.1855093 2.3638 22 2 5 11 InChI=1S/C15H22N6O/c1-4-5-7-15(20-21-15)8-6-13(22)18-12(9-11(2)3)14-16-10-17-19-14/h1,10-12H,5-9H2,2-3H3,(H,18,22)(H,16,17,19)/t12-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(c2nc([H])n([H])n2)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])(c2nc([H])n([H])n2)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N=N1 JPZPAKXXXZETNO-LBPRGKRZSA-N . LDPC0299 C039 PAL-AfBPP Probe 146152965 Z4282860204 421.5 C23H24FN5O2 84 765 3 31 0 7 7 InChI=1S/C23H24FN5O2/c1-2-3-8-23(27-28-23)9-7-19(30)29-12-10-22(11-13-29)15-18(22)21-26-25-20(31-21)16-5-4-6-17(24)14-16/h1,4-6,14,18H,3,7-13,15H2 C#CCCC1(N=N1)CCC(=O)N2CCC3(CC2)CC3C4=NN=C(O4)C5=CC(=CC=C5)F C#CCCC1(N=N1)CCC(=O)N2CCC3(CC2)CC3C4=NN=C(O4)C5=CC(=CC=C5)F UQRHLYGWRJFUMJ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-6-azaspiro[2.5]octan-6-yl]propan-1-one LDPC0300 C040 PAL-AfBPP Probe 167975657 Z4282859628 407.4 C18H20F3N7O 89.5 683 2.7 29 1 8 8 InChI=1S/C18H20F3N7O/c1-4-5-7-17(25-26-17)8-6-16(29)22-15-10-13(3)28(24-15)11-27-12(2)9-14(23-27)18(19,20)21/h1,9-10H,5-8,11H2,2-3H3,(H,22,24,29) CC1=CC(=NN1CN2C(=CC(=N2)NC(=O)CCC3(N=N3)CCC#C)C)C(F)(F)F CC1=CC(=NN1CN2C(=CC(=N2)NC(=O)CCC3(N=N3)CCC#C)C)C(F)(F)F BYBNOWROURJYCC-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[5-methyl-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-yl]propanamide LDPC0301 C041 PAL-AfBPP Probe 146152594 Z4225935647 387.5 C20H25N3O3S 96.3 724 3.1 27 1 5 8 InChI=1S/C20H25N3O3S/c1-3-4-13-20(22-23-20)14-15-21-18(24)19(11-5-6-12-19)27(25,26)17-9-7-16(2)8-10-17/h1,7-10H,4-6,11-15H2,2H3,(H,21,24) CC1=CC=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)NCCC3(N=N3)CCC#C CC1=CC=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)NCCC3(N=N3)CCC#C KLERTFBYZKBXRV-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide LDPC0302 C042 PAL-AfBPP Probe 167820587 Z4282860538 384.5 C21H28N4O3 82.4 753 1.8 28 0 5 6 InChI=1S/C21H28N4O3/c1-2-3-11-21(22-23-21)12-8-17(26)24-13-6-7-16(15-24)25-18(27)14-20(19(25)28)9-4-5-10-20/h1,16H,3-15H2 C#CCCC1(N=N1)CCC(=O)N2CCCC(C2)N3C(=O)CC4(C3=O)CCCC4 C#CCCC1(N=N1)CCC(=O)N2CCCC(C2)N3C(=O)CC4(C3=O)CCCC4 DLBVPRSISMGBCO-UHFFFAOYSA-N 2-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione LDPC0303 C044 PAL-AfBPP Probe 146152934 . 374.448 C21H22N6O 95.43 374.1855093 3.5853 28 1 6 10 InChI=1S/C21H22N6O/c1-4-5-11-21(25-26-21)12-10-20(28)24-15(2)19-14-23-27(16(19)3)18-8-6-17(13-22)7-9-18/h1,6-9,14-15H,5,10-12H2,2-3H3,(H,24,28)/t15-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(c2c([H])nn(-c3c([H])c([H])c(C#N)c([H])c3[H])c2C([H])([H])[H])C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])(c2c([H])nn(-c3c([H])c([H])c(C#N)c([H])c3[H])c2C([H])([H])[H])C([H])([H])[H])N=N1 GQDQUTIVFPHCCM-OAHLLOKOSA-N . LDPC0304 C045 PAL-AfBPP Probe 167759186 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]propanamide 373.5 C21H35N5O 60.3 558 2.4 27 1 5 9 InChI=1S/C21H35N5O/c1-3-4-11-21(23-24-21)12-5-20(27)22-13-6-18-7-16-26(17-8-18)19-9-14-25(2)15-10-19/h1,18-19H,4-17H2,2H3,(H,22,27) CN1CCC(CC1)N2CCC(CC2)CCNC(=O)CCC3(N=N3)CCC#C CN1CCC(CC1)N2CCC(CC2)CCNC(=O)CCC3(N=N3)CCC#C QVPDXZLWGRWKAE-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]propanamide LDPC0305 C046 PAL-AfBPP Probe 146153075 Z4286591617 370.4 C18H18N4O3S 110 721 0.6 26 1 6 6 InChI=1S/C18H18N4O3S/c1-2-3-8-18(20-21-18)9-10-19-15(23)14-11-26(25)17-13-7-5-4-6-12(13)16(24)22(14)17/h1,4-7,14,17H,3,8-11H2,(H,19,23) C#CCCC1(N=N1)CCNC(=O)C2CS(=O)C3N2C(=O)C4=CC=CC=C34 C#CCCC1(N=N1)CCNC(=O)C2CS(=O)C3N2C(=O)C4=CC=CC=C34 SSEZWDHQLSHLHA-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1,5-dioxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide LDPC0306 C048 PAL-AfBPP Probe 154884286 . 367.457 C19H25N7O 96.9 367.2120584 2.64422 27 1 7 12 InChI=1S/C19H25N7O/c1-5-6-10-19(24-25-19)11-9-17(27)20-12-15(13(2)3)18-22-21-16-8-7-14(4)23-26(16)18/h1,7-8,13,15H,6,9-12H2,2-4H3,(H,20,27)/t15-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])[C@]([H])(c2nnc3c([H])c([H])c(C([H])([H])[H])nn23)C([H])(C([H])([H])[H])C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])(c2nnc3c([H])c([H])c(C([H])([H])[H])nn23)C([H])(C([H])([H])[H])C([H])([H])[H])N=N1 APXKEDYUSMWBJA-HNNXBMFYSA-N . LDPC0307 C049 PAL-AfBPP Probe 154884282 Z3337873462 367.4 C21H25N3O3 76.2 619 3.7 27 1 5 8 InChI=1S/C21H25N3O3/c1-6-7-9-21(23-24-21)10-8-18(25)22-15(4)19-14(3)16-11-13(2)12-17(26-5)20(16)27-19/h1,11-12,15H,7-10H2,2-5H3,(H,22,25) CC1=CC2=C(C(=C1)OC)OC(=C2C)C(C)NC(=O)CCC3(N=N3)CCC#C CC1=CC2=C(C(=C1)OC)OC(=C2C)C(C)NC(=O)CCC3(N=N3)CCC#C GBCKWHGKHPSTOY-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethyl]propanamide LDPC0308 C050 PAL-AfBPP Probe 154880954 2418731-78-7;EN300-26689827;Z4282859882;3-(3-But-3-ynyldiazirin-3-yl)-N-[1-(2-methylsulfonylpyrimidin-4-yl)cyclopropyl]propanamide;3-[3-(but-3-yn-1-yl)-3H-diazirin-3-yl]-N-[1-(2-methanesulfonylpyrimidin-4-yl)cyclopropyl]propanamide 361.4 C16H19N5O3S 122 708 0.4 25 1 7 8 InChI=1S/C16H19N5O3S/c1-3-4-7-16(20-21-16)8-5-13(22)19-15(9-10-15)12-6-11-17-14(18-12)25(2,23)24/h1,6,11H,4-5,7-10H2,2H3,(H,19,22) CS(=O)(=O)C1=NC=CC(=N1)C2(CC2)NC(=O)CCC3(N=N3)CCC#C CS(=O)(=O)C1=NC=CC(=N1)C2(CC2)NC(=O)CCC3(N=N3)CCC#C NOIBGUQKGODKNB-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(2-methylsulfonylpyrimidin-4-yl)cyclopropyl]propanamide LDPC0309 C051 PAL-AfBPP Probe 146149746 . 353.344 C17H18F3N3O2 74.05 353.1351115 3.9666 25 2 4 9 InChI=1S/C17H18F3N3O2/c1-2-3-8-16(22-23-16)9-7-15(25)21-13-6-4-5-12(10-13)14(24)11-17(18,19)20/h1,4-6,10,14,24H,3,7-9,11H2,(H,21,25)/t14-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c([H])c([C@]([H])(O[H])C([H])([H])C(F)(F)F)c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c([H])c(C([H])(O[H])C([H])([H])C(F)(F)F)c2[H])N=N1 ABWGGCPZUBHOCJ-CQSZACIVSA-N . LDPC0310 C052 PAL-AfBPP Probe 146149819 . 350.378 C19H18N4O3 89.08 350.1378904 2.9719 26 1 6 7 InChI=1S/C19H18N4O3/c1-2-3-7-19(22-23-19)8-9-20-18(24)17-12-15(21-26-17)13-4-5-16-14(11-13)6-10-25-16/h1,4-5,11-12H,3,6-10H2,(H,20,24) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2onc(-c3c([H])c([H])c4c(c3[H])C([H])([H])C([H])([H])O4)c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2onc(-c3c([H])c([H])c4c(c3[H])C([H])([H])C([H])([H])O4)c2[H])N=N1 MDODCJAOWNRIFM-UHFFFAOYSA-N . LDPC0311 C053 PAL-AfBPP Probe 146152986 . 350.249 C17H17Cl2N3O 45.03 349.0748675 4.2338 23 0 3 5 InChI=1S/C17H17Cl2N3O/c1-2-3-8-17(20-21-17)9-6-15(23)22-10-7-12-4-5-14(18)16(19)13(12)11-22/h1,4-5H,3,6-11H2 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])c3c(Cl)c(Cl)c([H])c([H])c3C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])c3c(Cl)c(Cl)c([H])c([H])c3C([H])([H])C2([H])[H])N=N1 CVKJHUYADURYJR-UHFFFAOYSA-N . LDPC0312 C055 PAL-AfBPP Probe 146152889 Z4282859671 349.4 C17H21F2N5O 82.5 579 2.4 25 2 6 8 InChI=1S/C17H21F2N5O/c1-2-3-9-16(23-24-16)10-8-14(25)20-11-17(18,19)15-12-6-4-5-7-13(12)21-22-15/h1H,3-11H2,(H,20,25)(H,21,22) C#CCCC1(N=N1)CCC(=O)NCC(C2=NNC3=C2CCCC3)(F)F C#CCCC1(N=N1)CCC(=O)NCC(C2=NNC3=C2CCCC3)(F)F FZKVXDXDOKTZKM-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]propanamide LDPC0313 C056 PAL-AfBPP Probe 146149839 Z3433407586 347.4 C19H17N5O2 95.6 606 2.8 26 2 5 7 InChI=1S/C19H17N5O2/c1-2-3-8-19(23-24-19)9-10-20-18(25)14-12-21-22-17(14)16-11-13-6-4-5-7-15(13)26-16/h1,4-7,11-12H,3,8-10H2,(H,20,25)(H,21,22) C#CCCC1(N=N1)CCNC(=O)C2=C(NN=C2)C3=CC4=CC=CC=C4O3 C#CCCC1(N=N1)CCNC(=O)C2=C(NN=C2)C3=CC4=CC=CC=C4O3 FOWQQPALPXONHH-UHFFFAOYSA-N 5-(1-benzofuran-2-yl)-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1H-pyrazole-4-carboxamide LDPC0314 C057 PAL-AfBPP Probe 146153019 . 346.391 C16H22N6O3 113.99 346.1753386 0.4298 25 2 8 10 InChI=1S/C16H22N6O3/c1-2-3-5-16(19-20-16)6-4-15(24)17-7-12-10-25-11-14(12)22-8-13(9-23)18-21-22/h1,8,12,14,23H,3-7,9-11H2,(H,17,24)/t12-,14-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])[C@]2([H])C([H])([H])OC([H])([H])[C@@]2([H])n2nnc(C([H])([H])O[H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C2([H])C([H])([H])OC([H])([H])C2([H])n2nnc(C([H])([H])O[H])c2[H])N=N1 SEYKEGBQBHXPLB-TZMCWYRMSA-N . LDPC0315 C058 PAL-AfBPP Probe 146152654 Z4225971868 344.33 C15H19F3N4O2 82.9 587 1.3 24 2 7 7 InChI=1S/C15H19F3N4O2/c1-2-3-5-14(21-22-14)7-8-19-12(24)9-13(15(16,17)18)6-4-11(23)20-10-13/h1H,3-10H2,(H,19,24)(H,20,23) C#CCCC1(N=N1)CCNC(=O)CC2(CCC(=O)NC2)C(F)(F)F C#CCCC1(N=N1)CCNC(=O)CC2(CCC(=O)NC2)C(F)(F)F PQWCIQBKXZOPSJ-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[6-oxo-3-(trifluoromethyl)piperidin-3-yl]acetamide LDPC0316 C059 PAL-AfBPP Probe 146152634 Z4225961317 343.5 C20H29N3O2 74 664 2.7 25 2 4 6 InChI=1S/C20H29N3O2/c1-4-5-6-20(22-23-20)7-8-21-15(24)18-10-16(2)9-17(3,11-18)13-19(25,12-16)14-18/h1,25H,5-14H2,2-3H3,(H,21,24) CC12CC3(CC(C1)(CC(C2)(C3)O)C(=O)NCCC4(N=N4)CCC#C)C CC12CC3(CC(C1)(CC(C2)(C3)O)C(=O)NCCC4(N=N4)CCC#C)C ANVIOIPWLFOQMA-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-hydroxy-5,7-dimethyladamantane-1-carboxamide LDPC0317 C060 PAL-AfBPP Probe 146152931 Z4282859901 343.5 C20H29N3O2 63 612 2.7 25 1 4 8 InChI=1S/C20H29N3O2/c1-3-4-6-20(22-23-20)7-5-17(24)21-14-18-9-15-8-16(10-18)12-19(11-15,13-18)25-2/h1,15-16H,4-14H2,2H3,(H,21,24) COC12CC3CC(C1)CC(C3)(C2)CNC(=O)CCC4(N=N4)CCC#C COC12CC3CC(C1)CC(C3)(C2)CNC(=O)CCC4(N=N4)CCC#C PRXNGBKMAXRTHZ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[(3-methoxy-1-adamantyl)methyl]propanamide LDPC0318 C061 PAL-AfBPP Probe 146149823 Z3433405617 341.4 C15H23N3O4S 106 602 1 23 1 6 8 InChI=1S/C15H23N3O4S/c1-3-4-7-15(17-18-15)8-9-16-14(19)12(2)23(20,21)13-5-10-22-11-6-13/h1,12-13H,4-11H2,2H3,(H,16,19) CC(C(=O)NCCC1(N=N1)CCC#C)S(=O)(=O)C2CCOCC2 CC(C(=O)NCCC1(N=N1)CCC#C)S(=O)(=O)C2CCOCC2 MNPJABVRPZCGEL-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(oxan-4-ylsulfonyl)propanamide LDPC0319 C062 PAL-AfBPP Probe 146152962 Z4282860172 341.4 C17H19N5O3 114 662 0.5 25 1 6 7 InChI=1S/C17H19N5O3/c1-2-3-5-17(20-21-17)6-4-12(23)22-8-10-7-11(22)13(10)15-14(16(18)24)19-9-25-15/h1,9-11,13H,3-8H2,(H2,18,24) C#CCCC1(N=N1)CCC(=O)N2CC3CC2C3C4=C(N=CO4)C(=O)N C#CCCC1(N=N1)CCC(=O)N2CC3CC2C3C4=C(N=CO4)C(=O)N LWODQWITVVXFEX-UHFFFAOYSA-N 5-[2-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide LDPC0320 C063 PAL-AfBPP Probe 146152652 Z4225970074 335.4 C19H21N5O 71.6 602 2.3 25 1 4 7 InChI=1S/C19H21N5O/c1-3-4-9-19(22-23-19)10-11-20-18(25)15-12-14(15)17-13-7-5-6-8-16(13)24(2)21-17/h1,5-8,14-15H,4,9-12H2,2H3,(H,20,25)/t14-,15-/m1/s1 CN1C2=CC=CC=C2C(=N1)[C@@H]3C[C@H]3C(=O)NCCC4(N=N4)CCC#C CN1C2=CC=CC=C2C(=N1)C3CC3C(=O)NCCC4(N=N4)CCC#C NPHIPFVSXULONT-HUUCEWRRSA-N (1R,2R)-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(1-methylindazol-3-yl)cyclopropane-1-carboxamide LDPC0321 C064 PAL-AfBPP Probe 146149833 . 335.358 C16H19F2N5O 71.64 335.1557667 2.3912 24 1 5 8 InChI=1S/C16H19F2N5O/c1-2-3-7-16(21-22-16)8-9-19-13(24)10-23-12-6-4-5-11(12)14(20-23)15(17)18/h1,15H,3-10H2,(H,19,24) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])n2nc(C([H])(F)F)c3c2C([H])([H])C([H])([H])C3([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])n2nc(C([H])(F)F)c3c2C([H])([H])C([H])([H])C3([H])[H])N=N1 PPTCIVBVCLRZNZ-UHFFFAOYSA-N . LDPC0322 C065 PAL-AfBPP Probe 146149809 Z3433404796 334.32 C16H16F2N4O2 82.9 542 2 24 2 6 8 InChI=1S/C16H16F2N4O2/c1-2-3-4-16(21-22-16)5-6-19-14(23)10-20-15(24)11-7-12(17)9-13(18)8-11/h1,7-9H,3-6,10H2,(H,19,23)(H,20,24) C#CCCC1(N=N1)CCNC(=O)CNC(=O)C2=CC(=CC(=C2)F)F C#CCCC1(N=N1)CCNC(=O)CNC(=O)C2=CC(=CC(=C2)F)F GFRSZVIBJHFAEQ-UHFFFAOYSA-N N-[2-[2-(3-but-3-ynyldiazirin-3-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide LDPC0323 C067 PAL-AfBPP Probe 146152641 Z4225964065 331.33 C15H20F3N3O2 63 496 3 23 1 7 7 InChI=1S/C15H20F3N3O2/c1-2-3-8-14(20-21-14)9-10-19-13(22)11-4-6-12(7-5-11)23-15(16,17)18/h1,11-12H,3-10H2,(H,19,22) C#CCCC1(N=N1)CCNC(=O)C2CCC(CC2)OC(F)(F)F C#CCCC1(N=N1)CCNC(=O)C2CCC(CC2)OC(F)(F)F VHZBSUROFVEPFH-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(trifluoromethoxy)cyclohexane-1-carboxamide LDPC0324 C068 PAL-AfBPP Probe 146152941 Z4282859950 330.4 C18H26N4O2 74.1 565 2.2 24 1 4 7 InChI=1S/C18H26N4O2/c1-2-3-11-18(20-21-18)12-9-16(23)19-15-10-13-22(17(15)24)14-7-5-4-6-8-14/h1,14-15H,3-13H2,(H,19,23) C#CCCC1(N=N1)CCC(=O)NC2CCN(C2=O)C3CCCCC3 C#CCCC1(N=N1)CCC(=O)NC2CCN(C2=O)C3CCCCC3 UINSKFPVILOAQR-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-cyclohexyl-2-oxopyrrolidin-3-yl)propanamide LDPC0325 C069 PAL-AfBPP Probe 146149757 . 329.322 C15H18F3N3O2 65.26 329.1351115 2.2563 23 1 4 6 InChI=1S/C15H18F3N3O2/c1-2-3-5-13(19-20-13)6-4-12(22)21-9-10-7-11(21)8-14(10,23)15(16,17)18/h1,10-11,23H,3-9H2/t10-,11-,14+/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])[C@]3([H])C([H])([H])[C@@]2([H])C([H])([H])[C@]3(O[H])C(F)(F)F)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C3([H])C([H])([H])C2([H])C([H])([H])C3(O[H])C(F)(F)F)N=N1 CISYHBXOLAYTBN-COPLHBTASA-N . LDPC0326 C070 PAL-AfBPP Probe 146153047 Z4286591341 328.4 C17H20N4OS 95 554 2.9 23 1 5 8 InChI=1S/C17H20N4OS/c1-2-3-8-17(20-21-17)9-10-18-15(22)14-13(11-4-5-11)19-16(23-14)12-6-7-12/h1,11-12H,3-10H2,(H,18,22) C#CCCC1(N=N1)CCNC(=O)C2=C(N=C(S2)C3CC3)C4CC4 C#CCCC1(N=N1)CCNC(=O)C2=C(N=C(S2)C3CC3)C4CC4 NSOXMRCVRDZKGK-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2,4-dicyclopropyl-1,3-thiazole-5-carboxamide LDPC0327 C071 PAL-AfBPP Probe 146149820 Z3433405303 328.4 C16H16N4O2S 108 510 2.1 23 1 6 8 InChI=1S/C16H16N4O2S/c1-2-3-5-16(19-20-16)6-7-17-14(21)9-13-11-23-15(18-13)12-4-8-22-10-12/h1,4,8,10-11H,3,5-7,9H2,(H,17,21) C#CCCC1(N=N1)CCNC(=O)CC2=CSC(=N2)C3=COC=C3 C#CCCC1(N=N1)CCNC(=O)CC2=CSC(=N2)C3=COC=C3 BWBRTJSLYRUMBM-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide LDPC0328 C072 PAL-AfBPP Probe 146152579 Z4225926149 320.4 C19H20N4O 58.8 501 2.7 24 1 3 8 InChI=1S/C19H20N4O/c1-2-3-10-19(21-22-19)11-12-20-18(24)15-16-6-8-17(9-7-16)23-13-4-5-14-23/h1,4-9,13-14H,3,10-12,15H2,(H,20,24) C#CCCC1(N=N1)CCNC(=O)CC2=CC=C(C=C2)N3C=CC=C3 C#CCCC1(N=N1)CCNC(=O)CC2=CC=C(C=C2)N3C=CC=C3 KMGMKALODGTZRZ-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide LDPC0329 C073 PAL-AfBPP Probe 167958975 Z4250670130 318.4 C17H26N4O2 68.5 546 0.5 23 1 5 6 InChI=1S/C17H26N4O2/c1-3-4-6-17(18-19-17)7-5-15(23)21-11-14-10-20(2)9-8-16(14,12-21)13-22/h1,14,22H,4-13H2,2H3/t14-,16+/m1/s1 CN1CC[C@]2(CN(C[C@H]2C1)C(=O)CCC3(N=N3)CCC#C)CO CN1CCC2(CN(CC2C1)C(=O)CCC3(N=N3)CCC#C)CO ZBGBFLTXDQFNAU-ZBFHGGJFSA-N 1-[(3aR,7aS)-7a-(hydroxymethyl)-5-methyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-2-yl]-3-(3-but-3-ynyldiazirin-3-yl)propan-1-one LDPC0330 C075 PAL-AfBPP Probe 167852609 Z4282860704 315.33 C15H20F3N3O 53.8 524 3.4 22 1 6 7 InChI=1S/C15H20F3N3O/c1-4-5-7-14(20-21-14)8-6-11(22)19-12(15(16,17)18)10-9-13(10,2)3/h1,10,12H,5-9H2,2-3H3,(H,19,22) CC1(CC1C(C(F)(F)F)NC(=O)CCC2(N=N2)CCC#C)C CC1(CC1C(C(F)(F)F)NC(=O)CCC2(N=N2)CCC#C)C RFKAHPMUEQPIED-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]propanamide LDPC0331 C078 PAL-AfBPP Probe 146149849 Z3433408336 295.34 C16H17N5O 71.6 502 1.7 22 1 4 6 InChI=1S/C16H17N5O/c1-3-4-7-16(19-20-16)8-10-18-15(22)13-14-12(5-9-17-13)6-11-21(14)2/h1,5-6,9,11H,4,7-8,10H2,2H3,(H,18,22) CN1C=CC2=C1C(=NC=C2)C(=O)NCCC3(N=N3)CCC#C CN1C=CC2=C1C(=NC=C2)C(=O)NCCC3(N=N3)CCC#C XBZLUYQWKBFNBC-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-methylpyrrolo[2,3-c]pyridine-7-carboxamide LDPC0332 C079 PAL-AfBPP Probe 146152638 . 292.383 C15H24N4O2 66.29 292.189926 1.1774 21 1 5 10 InChI=1S/C15H24N4O2/c1-4-5-8-15(17-18-15)9-10-16-14(20)13-7-6-12(21-13)11-19(2)3/h1,12-13H,5-11H2,2-3H3,(H,16,20)/t12-,13+/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@]2([H])O[C@]([H])(C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2([H])OC([H])(C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])N=N1 YGDDHWUEWXSOOR-QWHCGFSZSA-N . LDPC0333 C081 PAL-AfBPP Probe 167992379 Z4282860435 411.4 C19H24F3N5O2 72.1 683 2.2 29 0 8 7 InChI=1S/C19H24F3N5O2/c1-4-5-7-18(24-25-18)8-6-16(28)26-9-10-29-11-15(26)17-13(2)23-27(14(17)3)12-19(20,21)22/h1,15H,5-12H2,2-3H3 CC1=C(C(=NN1CC(F)(F)F)C)C2COCCN2C(=O)CCC3(N=N3)CCC#C CC1=C(C(=NN1CC(F)(F)F)C)C2COCCN2C(=O)CCC3(N=N3)CCC#C RLZBKGSZVACBFW-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]propan-1-one LDPC0334 C082 PAL-AfBPP Probe 146152924 Z4282859870 404.5 C20H28N4O3S 99.6 724 2.9 28 1 6 10 InChI=1S/C20H28N4O3S/c1-6-9-11-20(22-23-20)12-10-19(25)21-18-14-17(13-15(4)16(18)5)28(26,27)24(7-2)8-3/h1,13-14H,7-12H2,2-5H3,(H,21,25) CCN(CC)S(=O)(=O)C1=CC(=C(C(=C1)C)C)NC(=O)CCC2(N=N2)CCC#C CCN(CC)S(=O)(=O)C1=CC(=C(C(=C1)C)C)NC(=O)CCC2(N=N2)CCC#C OFEAEQOSRTUCPM-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide LDPC0335 C083 PAL-AfBPP Probe 166417640 Z4286591589 404.5 C22H20N4O2S 99.4 703 3.7 29 1 5 8 InChI=1S/C22H20N4O2S/c1-2-3-13-22(24-25-22)14-15-23-20(27)19(16-9-5-4-6-10-16)26-21(28)17-11-7-8-12-18(17)29-26/h1,4-12,19H,3,13-15H2,(H,23,27) C#CCCC1(N=N1)CCNC(=O)C(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4S3 C#CCCC1(N=N1)CCNC(=O)C(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4S3 CPSDVKFZOUJZTD-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)-2-phenylacetamide LDPC0336 C084 PAL-AfBPP Probe 146153065 Z4286591571 403.5 C18H21N5O4S 129 789 0.7 28 2 7 8 InChI=1S/C18H21N5O4S/c1-2-3-7-18(21-22-18)8-9-20-17(25)14-5-4-6-15(12-14)28(26,27)23-11-10-19-16(24)13-23/h1,4-6,12H,3,7-11,13H2,(H,19,24)(H,20,25) C#CCCC1(N=N1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3 C#CCCC1(N=N1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3 UDBZDDCSGFEQEG-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide LDPC0337 C085 PAL-AfBPP Probe 146153074 Z4286591615 395.5 C21H29N7O 97.4 735 3.4 29 1 6 8 InChI=1S/C21H29N7O/c1-3-4-5-21(25-26-21)6-7-22-18(29)13-19-9-16-8-17(10-19)12-20(11-16,14-19)28-24-15(2)23-27-28/h1,16-17H,4-14H2,2H3,(H,22,29) CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)CC(=O)NCCC5(N=N5)CCC#C CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)CC(=O)NCCC5(N=N5)CCC#C ACAQYYOHMFPNBE-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide LDPC0338 C086 PAL-AfBPP Probe 146152983 Z4282860489 392.4 C19H19F3N4O2 74.1 691 2.6 28 1 7 6 InChI=1S/C19H19F3N4O2/c1-2-3-9-18(24-25-18)10-8-15(27)26-12-11-23-17(28)16(26)13-6-4-5-7-14(13)19(20,21)22/h1,4-7,16H,3,8-12H2,(H,23,28) C#CCCC1(N=N1)CCC(=O)N2CCNC(=O)C2C3=CC=CC=C3C(F)(F)F C#CCCC1(N=N1)CCC(=O)N2CCNC(=O)C2C3=CC=CC=C3C(F)(F)F SKMPAPZTJRCHRW-UHFFFAOYSA-N 4-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-3-[2-(trifluoromethyl)phenyl]piperazin-2-one LDPC0339 C087 PAL-AfBPP Probe 166410065 Z3433408107 390.4 C20H22N8O 102 696 2 29 1 6 7 InChI=1S/C20H22N8O/c1-5-6-9-20(25-26-20)10-11-21-19(29)17-14-7-8-16(22-18(14)28(4)24-17)15-12-27(3)23-13(15)2/h1,7-8,12H,6,9-11H2,2-4H3,(H,21,29) CC1=NN(C=C1C2=NC3=C(C=C2)C(=NN3C)C(=O)NCCC4(N=N4)CCC#C)C CC1=NN(C=C1C2=NC3=C(C=C2)C(=NN3C)C(=O)NCCC4(N=N4)CCC#C)C LVHGOMAIBKLKGF-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-(1,3-dimethylpyrazol-4-yl)-1-methylpyrazolo[3,4-b]pyridine-3-carboxamide LDPC0340 C088 PAL-AfBPP Probe 146152910 Z4282859776 382.5 C18H30N4O3S 99.6 681 2.1 26 1 6 9 InChI=1S/C18H30N4O3S/c1-5-7-10-18(20-21-18)11-8-17(23)19-16-9-12-22(13-15(16)6-2)26(24,25)14(3)4/h1,14-16H,6-13H2,2-4H3,(H,19,23) CCC1CN(CCC1NC(=O)CCC2(N=N2)CCC#C)S(=O)(=O)C(C)C CCC1CN(CCC1NC(=O)CCC2(N=N2)CCC#C)S(=O)(=O)C(C)C WFAOLTYTWLZCJU-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(3-ethyl-1-propan-2-ylsulfonylpiperidin-4-yl)propanamide LDPC0341 C089 PAL-AfBPP Probe 146152992 Z4282860673 381.5 C21H27N5O2 70.4 650 2 28 0 6 7 InChI=1S/C21H27N5O2/c1-3-5-9-21(23-24-21)10-8-19(27)25-13-16-7-6-11-22-20(16)26-15-18(28-4-2)12-17(26)14-25/h1,6-7,11,17-18H,4-5,8-10,12-15H2,2H3/t17-,18+/m0/s1 CCO[C@@H]1C[C@H]2CN(CC3=C(N2C1)N=CC=C3)C(=O)CCC4(N=N4)CCC#C CCOC1CC2CN(CC3=C(N2C1)N=CC=C3)C(=O)CCC4(N=N4)CCC#C YUSBUFUYQVKOCC-ZWKOTPCHSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[(4R,6S)-4-ethoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]propan-1-one LDPC0342 C091 PAL-AfBPP Probe 146152953 Z4282860054 372.4 C20H25FN4O2 66.3 600 3 27 1 6 7 InChI=1S/C20H25FN4O2/c1-4-5-7-20(23-24-20)8-6-19(26)22-17-9-16(21)10-18(11-17)25-12-14(2)27-15(3)13-25/h1,9-11,14-15H,5-8,12-13H2,2-3H3,(H,22,26)/t14-,15+ C[C@@H]1CN(C[C@@H](O1)C)C2=CC(=CC(=C2)NC(=O)CCC3(N=N3)CCC#C)F CC1CN(CC(O1)C)C2=CC(=CC(=C2)NC(=O)CCC3(N=N3)CCC#C)F YQBSXGHMTAAYSY-GASCZTMLSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]propanamide LDPC0343 C092 PAL-AfBPP Probe 146152900 Z4282859713 371.4 C22H21N5O 71.6 632 3.7 28 1 4 8 InChI=1S/C22H21N5O/c1-2-3-13-22(25-26-22)14-11-21(28)23-20-12-15-27(24-20)16-18-9-6-8-17-7-4-5-10-19(17)18/h1,4-10,12,15H,3,11,13-14,16H2,(H,23,24,28) C#CCCC1(N=N1)CCC(=O)NC2=NN(C=C2)CC3=CC=CC4=CC=CC=C43 C#CCCC1(N=N1)CCC(=O)NC2=NN(C=C2)CC3=CC=CC4=CC=CC=C43 VSUGYYFEEDPTAM-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide LDPC0344 C093 PAL-AfBPP Probe 146153020 . 365.377 C14H18F3N3O3S 87.96 365.1020971 1.8239 24 1 5 9 InChI=1S/C14H18F3N3O3S/c1-3-4-6-13(19-20-13)7-5-11(21)18-9-12(24(2,22)23)8-10(12)14(15,16)17/h1,10H,4-9H2,2H3,(H,18,21)/t10-,12+/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])[C@]2(S(=O)(=O)C([H])([H])[H])C([H])([H])[C@]2([H])C(F)(F)F)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C2(S(=O)(=O)C([H])([H])[H])C([H])([H])C2([H])C(F)(F)F)N=N1 IMHYSNMIOFTKBT-CMPLNLGQSA-N . LDPC0345 C094 PAL-AfBPP Probe 167929740 Z4282859879 363.34 C17H16F3N5O 78.5 643 3.2 26 1 8 8 InChI=1S/C17H16F3N5O/c1-2-3-9-15(22-23-15)10-8-14(26)21-11-12-4-6-13(7-5-12)16(24-25-16)17(18,19)20/h1,4-7H,3,8-11H2,(H,21,26) C#CCCC1(N=N1)CCC(=O)NCC2=CC=C(C=C2)C3(N=N3)C(F)(F)F C#CCCC1(N=N1)CCC(=O)NCC2=CC=C(C=C2)C3(N=N3)C(F)(F)F RSRQJMWPPIUHSI-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]propanamide LDPC0346 C095 PAL-AfBPP Probe 146152940 Z4282859949 361.4 C19H19N7O 100 629 2.5 27 2 5 7 InChI=1S/C19H19N7O/c1-3-4-11-19(24-25-19)12-10-14(27)20-17-15-16(13-8-6-5-7-9-13)23-26(2)18(15)22-21-17/h1,5-9H,4,10-12H2,2H3,(H2,20,21,22,27) CN1C2=NNC(=C2C(=N1)C3=CC=CC=C3)NC(=O)CCC4(N=N4)CCC#C CN1C2=NNC(=C2C(=N1)C3=CC=CC=C3)NC(=O)CCC4(N=N4)CCC#C XSDJWHWOHOTGET-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(6-methyl-4-phenyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)propanamide LDPC0347 C098 PAL-AfBPP Probe 146152649 . 344.846 C18H21ClN4O 66.71 344.140389 3.5564 24 1 4 9 InChI=1S/C18H21ClN4O/c1-4-5-7-18(22-23-18)8-10-21-16(24)15-14(17(15,2)3)12-6-9-20-11-13(12)19/h1,6,9,11,14-15H,5,7-8,10H2,2-3H3,(H,21,24)/t14-,15+/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@@]2([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])c2c([H])c([H])nc([H])c2Cl)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2([H])C([H])(c3c([H])c([H])nc([H])c3Cl)C2(C([H])([H])[H])C([H])([H])[H])N=N1 PZPGUROSXAJPMC-CABCVRRESA-N . LDPC0348 C099 PAL-AfBPP Probe 146152578 Z4225924657 342.4 C17H18N4O2S 108 538 2.6 24 1 6 8 InChI=1S/C17H18N4O2S/c1-3-4-7-17(20-21-17)8-9-18-15(22)11-13-12(2)23-16(19-13)14-6-5-10-24-14/h1,5-6,10H,4,7-9,11H2,2H3,(H,18,22) CC1=C(N=C(O1)C2=CC=CS2)CC(=O)NCCC3(N=N3)CCC#C CC1=C(N=C(O1)C2=CC=CS2)CC(=O)NCCC3(N=N3)CCC#C RTVLQAFNZAUCJW-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide LDPC0349 C100 PAL-AfBPP Probe 146153054 Z4286591451 341.33 C15H18F3N5O 82.5 545 3.1 24 2 7 7 InChI=1S/C15H18F3N5O/c1-4-5-6-14(22-23-14)7-8-19-13(24)11-10(9(2)3)12(21-20-11)15(16,17)18/h1,9H,5-8H2,2-3H3,(H,19,24)(H,20,21) CC(C)C1=C(NN=C1C(=O)NCCC2(N=N2)CCC#C)C(F)(F)F CC(C)C1=C(NN=C1C(=O)NCCC2(N=N2)CCC#C)C(F)(F)F WCIJAFAMHSTZMG-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide LDPC0350 C102 PAL-AfBPP Probe 146152591 Z4225934619 330.77 C16H15ClN4O2 82.9 576 1.9 23 2 4 6 InChI=1S/C16H15ClN4O2/c1-2-3-4-16(20-21-16)5-6-18-15(23)11-7-10-8-14(22)19-13(10)9-12(11)17/h1,7,9H,3-6,8H2,(H,18,23)(H,19,22) C#CCCC1(N=N1)CCNC(=O)C2=C(C=C3C(=C2)CC(=O)N3)Cl C#CCCC1(N=N1)CCNC(=O)C2=C(C=C3C(=C2)CC(=O)N3)Cl RAZIBBCAVOPKPW-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide LDPC0351 C103 PAL-AfBPP Probe 146152644 . 330.432 C18H26N4O2 82.92 330.2055761 2.0091 24 2 4 8 InChI=1S/C18H26N4O2/c1-4-5-8-18(21-22-18)9-10-19-15(23)12-6-7-14-13(11-12)17(2,3)16(24)20-14/h1,12-14H,5-11H2,2-3H3,(H,19,23)(H,20,24)/t12-,13-,14+/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@]2([H])C([H])([H])C([H])([H])[C@]3([H])N([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2([H])C([H])([H])C([H])([H])C3([H])N([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])C3([H])C2([H])[H])N=N1 GVRXRFOPQIHXKQ-MCIONIFRSA-N . LDPC0352 C105 PAL-AfBPP Probe 146149818 Z3433405279 330.4 C17H22N4O3 89.1 541 1.4 24 1 6 7 InChI=1S/C17H22N4O3/c1-3-4-5-17(20-21-17)6-9-18-15(22)16(7-10-23-11-8-16)14-12-13(2)19-24-14/h1,12H,4-11H2,2H3,(H,18,22) CC1=NOC(=C1)C2(CCOCC2)C(=O)NCCC3(N=N3)CCC#C CC1=NOC(=C1)C2(CCOCC2)C(=O)NCCC3(N=N3)CCC#C MEYFJTUGIGCRFU-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(3-methyl-1,2-oxazol-5-yl)oxane-4-carboxamide LDPC0353 C106 PAL-AfBPP Probe 167851144 Z4282860129 329.8 C18H20ClN3O 45 540 3.3 23 0 3 7 InChI=1S/C18H20ClN3O/c1-3-4-9-18(20-21-18)10-8-16(23)22(2)17(11-12-17)14-6-5-7-15(19)13-14/h1,5-7,13H,4,8-12H2,2H3 CN(C(=O)CCC1(N=N1)CCC#C)C2(CC2)C3=CC(=CC=C3)Cl CN(C(=O)CCC1(N=N1)CCC#C)C2(CC2)C3=CC(=CC=C3)Cl CGVLHMLXBYEVAB-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(3-chlorophenyl)cyclopropyl]-N-methylpropanamide LDPC0354 C107 PAL-AfBPP Probe 146152581 Z4225928007 329.36 C16H22F3N3O 53.8 500 3.9 23 1 6 7 InChI=1S/C16H22F3N3O/c1-2-3-7-15(21-22-15)8-9-20-14(23)11-12-5-4-6-13(10-12)16(17,18)19/h1,12-13H,3-11H2,(H,20,23) C#CCCC1(N=N1)CCNC(=O)CC2CCCC(C2)C(F)(F)F C#CCCC1(N=N1)CCNC(=O)CC2CCCC(C2)C(F)(F)F WOCLSZJKXKKZDY-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[3-(trifluoromethyl)cyclohexyl]acetamide LDPC0355 C108 PAL-AfBPP Probe 146149755 Z3426152213 327.4 C18H21N3OS 73.3 574 2.8 23 0 4 6 InChI=1S/C18H21N3OS/c1-2-3-9-17(19-20-17)10-7-16(22)21-12-8-14-6-11-18(14,21)15-5-4-13-23-15/h1,4-5,13-14H,3,6-12H2 C#CCCC1(N=N1)CCC(=O)N2CCC3C2(CC3)C4=CC=CS4 C#CCCC1(N=N1)CCC(=O)N2CCC3C2(CC3)C4=CC=CS4 VBOXFFVOBGGHKD-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(1-thiophen-2-yl-2-azabicyclo[3.2.0]heptan-2-yl)propan-1-one LDPC0356 C109 PAL-AfBPP Probe 167803299 Z4282859928 326.35 C16H18N6O2 92 628 0.2 24 1 5 7 InChI=1S/C16H18N6O2/c1-3-4-6-16(19-20-16)7-5-13(23)17-10-12-11-18-22-9-8-21(2)15(24)14(12)22/h1,8-9,11H,4-7,10H2,2H3,(H,17,23) CN1C=CN2C(=C(C=N2)CNC(=O)CCC3(N=N3)CCC#C)C1=O CN1C=CN2C(=C(C=N2)CNC(=O)CCC3(N=N3)CCC#C)C1=O MXNQLIGCAMAUGI-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[(5-methyl-4-oxopyrazolo[1,5-a]pyrazin-3-yl)methyl]propanamide LDPC0357 C110 PAL-AfBPP Probe . . 324.331 C15H18F2N4O2 79.85 324.1397823 3.3192 23 1 5 10 InChI=1S/C15H18F2N4O2/c1-4-5-7-15(20-21-15)8-6-12(22)18-14(2,3)11-9-10(13(16)17)23-19-11/h1,9,13H,5-8H2,2-3H3,(H,18,22) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C(c2noc(C([H])(F)F)c2[H])(C([H])([H])[H])C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C(c2noc(C([H])(F)F)c2[H])(C([H])([H])[H])C([H])([H])[H])N=N1 BJAFZGLSLSFKPP-UHFFFAOYSA-N . LDPC0358 C111 PAL-AfBPP Probe 146152588 . 320.418 C15H20N4O2S 75.82 320.1306969 1.99854 22 1 6 10 InChI=1S/C15H20N4O2S/c1-4-5-7-15(17-18-15)8-9-16-13(20)6-10-19-11(2)12(3)22-14(19)21/h1H,5-10H2,2-3H3,(H,16,20) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])n2c(C([H])([H])[H])c(C([H])([H])[H])sc2=O)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])n2c(C([H])([H])[H])c(C([H])([H])[H])sc2=O)N=N1 SNFQDZNYTRWPPE-UHFFFAOYSA-N . LDPC0359 C112 PAL-AfBPP Probe 167756992 Z3433405179 320.4 C19H20N4O 69.6 509 3.5 24 2 3 8 InChI=1S/C19H20N4O/c1-2-3-11-19(22-23-19)12-13-20-18(24)17-10-9-16(21-17)14-15-7-5-4-6-8-15/h1,4-10,21H,3,11-14H2,(H,20,24) C#CCCC1(N=N1)CCNC(=O)C2=CC=C(N2)CC3=CC=CC=C3 C#CCCC1(N=N1)CCNC(=O)C2=CC=C(N2)CC3=CC=CC=C3 XQFPUKMEIXRZMV-UHFFFAOYSA-N 5-benzyl-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1H-pyrrole-2-carboxamide LDPC0360 C113 PAL-AfBPP Probe 146153016 Z4286347399 320.39 C16H24N4O3 77.7 515 -0.2 23 1 6 6 InChI=1S/C16H24N4O3/c1-2-3-5-16(17-18-16)6-4-15(22)20-11-13(14(21)12-20)19-7-9-23-10-8-19/h1,13-14,21H,3-12H2/t13-,14-/m1/s1 C#CCCC1(N=N1)CCC(=O)N2C[C@H]([C@@H](C2)O)N3CCOCC3 C#CCCC1(N=N1)CCC(=O)N2CC(C(C2)O)N3CCOCC3 XFZKNFCINGOOSJ-ZIAGYGMSSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]propan-1-one LDPC0361 C114 PAL-AfBPP Probe . . 304.35 C15H20N4O3 94.36 304.1535405 0.0515 22 2 5 6 InChI=1S/C15H20N4O3/c1-2-3-5-15(17-18-15)6-4-12(21)19-9-14(10-19)7-11(20)8-16-13(14)22/h1,11,20H,3-10H2,(H,16,22)/t11-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C3(C(=O)N([H])C([H])([H])[C@]([H])(O[H])C3([H])[H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C3(C(=O)N([H])C([H])([H])C([H])(O[H])C3([H])[H])C2([H])[H])N=N1 INBPUSJMCXQTFR-LLVKDONJSA-N . LDPC0362 C115 PAL-AfBPP Probe 146152919 Z4282859845 302.4 C17H26N4O 57.1 462 2.4 22 1 4 9 InChI=1S/C17H26N4O/c1-3-5-10-17(19-20-17)11-7-16(22)18-15-8-13-21(14-9-15)12-6-4-2/h1,4,15H,2,5-14H2,(H,18,22) C=CCCN1CCC(CC1)NC(=O)CCC2(N=N2)CCC#C C=CCCN1CCC(CC1)NC(=O)CCC2(N=N2)CCC#C JERBYBVUQRBQQB-UHFFFAOYSA-N N-(1-but-3-enylpiperidin-4-yl)-3-(3-but-3-ynyldiazirin-3-yl)propanamide LDPC0363 C116 PAL-AfBPP Probe 146152980 Z4282860444 299.33 C15H17N5O2 86.5 673 -0.7 22 1 5 5 InChI=1S/C15H17N5O2/c1-3-4-6-15(18-19-15)7-5-13(21)20-8-11-12(9-20)16-10(2)17-14(11)22/h1H,4-9H2,2H3,(H,16,17,22) CC1=NC2=C(CN(C2)C(=O)CCC3(N=N3)CCC#C)C(=O)N1 CC1=NC2=C(CN(C2)C(=O)CCC3(N=N3)CCC#C)C(=O)N1 VPSWUQHOEZDDSU-UHFFFAOYSA-N 6-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one LDPC0364 C117 PAL-AfBPP Probe 146152682 . 288.395 C16H24N4O 48.27 288.1950114 2.0388 21 0 4 5 InChI=1S/C16H24N4O/c1-2-3-8-16(17-18-16)9-7-15(21)20-12-11-19-10-5-4-6-14(20)13-19/h1,14H,3-13H2/t14-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C3([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])C3([H])[H])N=N1 FNTXVSNNVMAORR-CQSZACIVSA-N . LDPC0365 C119 PAL-AfBPP Probe 146153062 . 411.509 C16H21N5O4S2 124.06 411.1034962 0.97972 27 2 7 9 InChI=1S/C16H21N5O4S2/c1-3-4-7-16(19-20-16)8-9-17-13(22)12-6-5-10-21(12)27(24,25)14-11(2)18-15(23)26-14/h1,12H,4-10H2,2H3,(H,17,22)(H,18,23)/t12-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@]2([H])N(S(=O)(=O)c3sc(=O)n([H])c3C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2([H])N(S(=O)(=O)c3sc(=O)n([H])c3C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])N=N1 IOULDDGMYFMFMA-GFCCVEGCSA-N . LDPC0366 C120 PAL-AfBPP Probe 146153072 . 407.47 C23H25N3O4 93.26 407.1845063 3.43922 30 1 6 10 InChI=1S/C23H25N3O4/c1-4-5-9-23(25-26-23)10-11-24-21(27)15(3)29-18-12-14(2)13-19-20(18)16-7-6-8-17(16)22(28)30-19/h1,12-13,15H,5-11H2,2-3H3,(H,24,27)/t15-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(Oc2c([H])c(C([H])([H])[H])c([H])c3oc(=O)c4c(c23)C([H])([H])C([H])([H])C4([H])[H])C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])(Oc2c([H])c(C([H])([H])[H])c([H])c3oc(=O)c4c(c23)C([H])([H])C([H])([H])C4([H])[H])C([H])([H])[H])N=N1 IJNWNMSONKWWDE-OAHLLOKOSA-N . LDPC0367 C121 PAL-AfBPP Probe . . 387.875 C18H22ClN7O 89.46 387.157436 3.40382 27 1 7 11 InChI=1S/C18H22ClN7O/c1-4-6-8-18(23-24-18)9-7-16(27)20-17-15(19)12-26(22-17)11-14-10-25(5-2)21-13(14)3/h1,10,12H,5-9,11H2,2-3H3,(H,20,22,27) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2nn(C([H])([H])c3c(C([H])([H])[H])nn(C([H])([H])C([H])([H])[H])c3[H])c([H])c2Cl)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2nn(C([H])([H])c3c(C([H])([H])[H])nn(C([H])([H])C([H])([H])[H])c3[H])c([H])c2Cl)N=N1 GXTDBWZLEJWTIU-UHFFFAOYSA-N . LDPC0368 C122 PAL-AfBPP Probe 146153064 Z4286591568 381.4 C20H23N5O3 103 725 1.9 28 2 5 8 InChI=1S/C20H23N5O3/c1-4-5-10-20(23-24-20)11-12-21-16(26)13-25-17(27)19(3,22-18(25)28)15-8-6-14(2)7-9-15/h1,6-9H,5,10-13H2,2-3H3,(H,21,26)(H,22,28) CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCCC3(N=N3)CCC#C)C CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NCCC3(N=N3)CCC#C)C DKVUIQQDEGVXRK-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide LDPC0369 C125 PAL-AfBPP Probe 167887783 Z4282860336 371.5 C21H33N5O 51.5 628 1.7 27 0 5 7 InChI=1S/C21H33N5O/c1-3-4-6-21(22-23-21)7-5-19(27)26-10-8-20(9-11-26)16-18(20)17-25-14-12-24(2)13-15-25/h1,18H,4-17H2,2H3 CN1CCN(CC1)CC2CC23CCN(CC3)C(=O)CCC4(N=N4)CCC#C CN1CCN(CC1)CC2CC23CCN(CC3)C(=O)CCC4(N=N4)CCC#C SRXUFPBCMPYEQQ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[2-[(4-methylpiperazin-1-yl)methyl]-6-azaspiro[2.5]octan-6-yl]propan-1-one LDPC0370 C128 PAL-AfBPP Probe 146149780 Z3426163961 366.5 C17H26N4O3S 108 678 1.7 25 2 6 9 InChI=1S/C17H26N4O3S/c1-2-3-11-17(20-21-17)12-10-16(22)18-14-6-4-5-7-15(14)19-25(23,24)13-8-9-13/h1,13-15,19H,3-12H2,(H,18,22)/t14-,15-/m1/s1 C#CCCC1(N=N1)CCC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C3CC3 C#CCCC1(N=N1)CCC(=O)NC2CCCCC2NS(=O)(=O)C3CC3 NGIJAVVMHGUAGR-HUUCEWRRSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1R,2R)-2-(cyclopropylsulfonylamino)cyclohexyl]propanamide LDPC0371 C129 PAL-AfBPP Probe 146152977 Z4282860401 361.4 C20H19N5O2 94.8 658 2.2 27 0 6 8 InChI=1S/C20H19N5O2/c1-3-4-10-20(23-24-20)11-9-18(26)25(2)13-17-14-27-19(22-17)16-7-5-15(12-21)6-8-16/h1,5-8,14H,4,9-11,13H2,2H3 CN(CC1=COC(=N1)C2=CC=C(C=C2)C#N)C(=O)CCC3(N=N3)CCC#C CN(CC1=COC(=N1)C2=CC=C(C=C2)C#N)C(=O)CCC3(N=N3)CCC#C RPIARMSJPBUARB-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[[2-(4-cyanophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpropanamide LDPC0372 C130 PAL-AfBPP Probe 146152933 Z4282859929 353.4 C20H23N3O3 72.3 601 2.7 26 1 5 8 InChI=1S/C20H23N3O3/c1-2-3-9-20(22-23-20)10-8-18(24)21-19(14-4-5-14)15-6-7-16-17(13-15)26-12-11-25-16/h1,6-7,13-14,19H,3-5,8-12H2,(H,21,24) C#CCCC1(N=N1)CCC(=O)NC(C2CC2)C3=CC4=C(C=C3)OCCO4 C#CCCC1(N=N1)CCC(=O)NC(C2CC2)C3=CC4=C(C=C3)OCCO4 IQMZOGRWKTYUOI-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]propanamide LDPC0373 C131 PAL-AfBPP Probe 146149747 Z3410164044 353.4 C18H19N5O3 112 651 0.7 26 3 5 7 InChI=1S/C18H19N5O3/c1-2-3-9-18(22-23-18)10-8-15(24)19-13-6-4-12(5-7-13)14-11-16(25)21-17(26)20-14/h1,4-7,14H,3,8-11H2,(H,19,24)(H2,20,21,25,26) C#CCCC1(N=N1)CCC(=O)NC2=CC=C(C=C2)C3CC(=O)NC(=O)N3 C#CCCC1(N=N1)CCC(=O)NC2=CC=C(C=C2)C3CC(=O)NC(=O)N3 WXKHQSAWWUUKSP-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[4-(2,6-dioxo-1,3-diazinan-4-yl)phenyl]propanamide LDPC0374 C132 PAL-AfBPP Probe 146153018 Z4286347452 343.4 C18H25N5O2 72.1 563 0.8 25 0 5 8 InChI=1S/C18H25N5O2/c1-4-5-7-18(20-21-18)8-6-17(24)23-11-15(13-25-3)16(12-23)14-9-19-22(2)10-14/h1,9-10,15-16H,5-8,11-13H2,2-3H3/t15-,16-/m0/s1 CN1C=C(C=N1)[C@@H]2CN(C[C@H]2COC)C(=O)CCC3(N=N3)CCC#C CN1C=C(C=N1)C2CN(CC2COC)C(=O)CCC3(N=N3)CCC#C BWFBBZKWZUZVOZ-HOTGVXAUSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[(3S,4R)-3-(methoxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one LDPC0375 C133 PAL-AfBPP Probe 146153082 Z4286591735 342.42 C14H22N4O4S 118 625 0.6 23 2 7 8 InChI=1S/C14H22N4O4S/c1-3-4-7-14(17-18-14)8-10-15-12(19)13(11-22-2)6-5-9-16-23(13,20)21/h1,16H,4-11H2,2H3,(H,15,19) COCC1(CCCNS1(=O)=O)C(=O)NCCC2(N=N2)CCC#C COCC1(CCCNS1(=O)=O)C(=O)NCCC2(N=N2)CCC#C WOZSYMYAZRCMQA-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-(methoxymethyl)-1,1-dioxothiazinane-6-carboxamide LDPC0376 C134 PAL-AfBPP Probe 146152599 . 340.21 C15H15Cl2N3O2 74.05 339.0541321 3.1086 22 2 4 8 InChI=1S/C15H15Cl2N3O2/c1-2-3-4-15(19-20-15)5-6-18-14(22)13(21)10-7-11(16)9-12(17)8-10/h1,7-9,13,21H,3-6H2,(H,18,22)/t13-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])c2c([H])c(Cl)c([H])c(Cl)c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])c2c([H])c(Cl)c([H])c(Cl)c2[H])N=N1 VDSOJXABCYAJIH-CYBMUJFWSA-N . LDPC0377 C135 PAL-AfBPP Probe 166416882 Z4225971328 339.31 C16H16F3N3O2 74 541 2.7 24 2 7 7 InChI=1S/C16H16F3N3O2/c1-2-3-9-14(21-22-14)10-11-20-13(23)15(24,16(17,18)19)12-7-5-4-6-8-12/h1,4-8,24H,3,9-11H2,(H,20,23) C#CCCC1(N=N1)CCNC(=O)C(C2=CC=CC=C2)(C(F)(F)F)O C#CCCC1(N=N1)CCNC(=O)C(C2=CC=CC=C2)(C(F)(F)F)O YAJASWAKDHSWDH-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide LDPC0378 C136 PAL-AfBPP Probe 146149826 . 337.405 C14H19N5O3S 118.91 337.1208605 0.2968 23 2 6 10 InChI=1S/C14H19N5O3S/c1-3-4-5-14(17-18-14)6-7-16-13(20)9-11-8-12(10-19(11)2)23(15,21)22/h1,8,10H,4-7,9H2,2H3,(H,16,20)(H2,15,21,22) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])c2c([H])c(S(=O)(=O)N([H])[H])c([H])n2C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])c2c([H])c(S(=O)(=O)N([H])[H])c([H])n2C([H])([H])[H])N=N1 JAGLHARDBJHTII-UHFFFAOYSA-N . LDPC0379 C137 PAL-AfBPP Probe . . 336.461 C16H24N4O2S 85.95 336.161997 2.54387 23 1 5 5 InChI=1S/C16H24N4O2S/c1-2-3-9-16(18-19-16)10-6-14(21)20-11-4-7-15(20)8-5-12-23(17,22)13-15/h1,17H,3-13H2/t15-,23-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@]23C([H])([H])C([H])([H])C([H])([H])[S@](=O)(=N[H])C3([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])C23C([H])([H])C([H])([H])C([H])([H])S(=O)(=N[H])C3([H])[H])N=N1 JYDSUSFVXYNAFF-IQMFZBJNSA-N . LDPC0380 C138 PAL-AfBPP Probe 146153080 Z4286591703 336.37 C13H16N6O3S 126 655 0.1 23 2 7 6 InChI=1S/C13H16N6O3S/c1-2-3-4-13(17-18-13)5-6-14-12(20)10-9-11-19(16-10)8-7-15-23(11,21)22/h1,9,15H,3-8H2,(H,14,20) C#CCCC1(N=N1)CCNC(=O)C2=NN3CCNS(=O)(=O)C3=C2 C#CCCC1(N=N1)CCNC(=O)C2=NN3CCNS(=O)(=O)C3=C2 CLPPPPXYWKJKMU-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-pyrazolo[1,5-e][1,2,5]thiadiazine-7-carboxamide LDPC0381 C139 PAL-AfBPP Probe 146152898 . 334.423 C20H22N4O 66.71 334.1793613 3.55762 25 1 4 9 InChI=1S/C20H22N4O/c1-3-4-9-20(23-24-20)10-7-19(25)21-11-8-16-13-17-12-15(2)5-6-18(17)22-14-16/h1,5-6,12-14H,4,7-11H2,2H3,(H,21,25) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])c2c([H])nc3c([H])c([H])c(C([H])([H])[H])c([H])c3c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])c2c([H])nc3c([H])c([H])c(C([H])([H])[H])c([H])c3c2[H])N=N1 RVMWRVRAHOIAOZ-UHFFFAOYSA-N . LDPC0382 C140 PAL-AfBPP Probe 146149758 Z3426114841 329.4 C18H20FN3O2 54.3 530 2.2 24 0 5 8 InChI=1S/C18H20FN3O2/c1-2-3-9-18(20-21-18)10-8-17(23)22-11-15(12-22)24-13-14-6-4-5-7-16(14)19/h1,4-7,15H,3,8-13H2 C#CCCC1(N=N1)CCC(=O)N2CC(C2)OCC3=CC=CC=C3F C#CCCC1(N=N1)CCC(=O)N2CC(C2)OCC3=CC=CC=C3F RHABZUPCHMLOPL-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]propan-1-one LDPC0383 C141 PAL-AfBPP Probe 146152948 Z4282859991 329.36 C16H22F3N3O 53.8 506 4 23 1 6 7 InChI=1S/C16H22F3N3O/c1-2-3-10-15(21-22-15)11-7-13(23)20-12-14(16(17,18)19)8-5-4-6-9-14/h1H,3-12H2,(H,20,23) C#CCCC1(N=N1)CCC(=O)NCC2(CCCCC2)C(F)(F)F C#CCCC1(N=N1)CCC(=O)NCC2(CCCCC2)C(F)(F)F JGGAVKLZZOMQAL-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[[1-(trifluoromethyl)cyclohexyl]methyl]propanamide LDPC0384 C142 PAL-AfBPP Probe 146149863 Z3462042518 328.4 C17H20N4O3 85.2 521 1.7 24 1 6 8 InChI=1S/C17H20N4O3/c1-2-3-6-17(20-21-17)7-9-19-16(22)13-4-8-18-15(11-13)24-14-5-10-23-12-14/h1,4,8,11,14H,3,5-7,9-10,12H2,(H,19,22) C#CCCC1(N=N1)CCNC(=O)C2=CC(=NC=C2)OC3CCOC3 C#CCCC1(N=N1)CCNC(=O)C2=CC(=NC=C2)OC3CCOC3 PEUORYZYAXXXOV-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide LDPC0385 C143 PAL-AfBPP Probe 167978348 Z4225951768 327.8 C18H18ClN3O 53.8 574 3.2 23 1 3 6 InChI=1S/C18H18ClN3O/c1-2-3-7-18(21-22-18)8-9-20-17(23)16-13-10-12-11(15(13)16)5-4-6-14(12)19/h1,4-6,13,15-16H,3,7-10H2,(H,20,23) C#CCCC1(N=N1)CCNC(=O)C2C3C2C4=C(C3)C(=CC=C4)Cl C#CCCC1(N=N1)CCNC(=O)C2C3C2C4=C(C3)C(=CC=C4)Cl CEESQXLETZBRLG-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-chloro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide LDPC0386 C144 PAL-AfBPP Probe 166417636 Z4286591215 327.4 C11H13N5O3S2 164 583 0.7 21 2 8 7 InChI=1S/C11H13N5O3S2/c1-2-3-4-11(15-16-11)5-6-13-9(17)8-10(20-7-14-8)21(12,18)19/h1,7H,3-6H2,(H,13,17)(H2,12,18,19) C#CCCC1(N=N1)CCNC(=O)C2=C(SC=N2)S(=O)(=O)N C#CCCC1(N=N1)CCNC(=O)C2=C(SC=N2)S(=O)(=O)N YDAZWUCIYGYVBX-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-sulfamoyl-1,3-thiazole-4-carboxamide LDPC0387 C145 PAL-AfBPP Probe . . 326.335 C16H15FN6O 84.53 326.1291373 2.7006 24 1 6 7 InChI=1S/C16H15FN6O/c1-2-3-7-16(20-21-16)8-6-15(24)19-14-11-12(4-5-13(14)17)23-10-9-18-22-23/h1,4-5,9-11H,3,6-8H2,(H,19,24) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c(-n3nnc([H])c3[H])c([H])c([H])c2F)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c(-n3nnc([H])c3[H])c([H])c([H])c2F)N=N1 UADQXNBLWOHWKF-UHFFFAOYSA-N . LDPC0388 C146 PAL-AfBPP Probe 167775418 Z4286347556 325.39 C14H19N3O4S 96.8 637 -0.2 22 0 6 5 InChI=1S/C14H19N3O4S/c1-2-3-5-14(15-16-14)6-4-13(18)17-7-8-21-12-10-22(19,20)9-11(12)17/h1,11-12H,3-10H2/t11-,12+/m0/s1 C#CCCC1(N=N1)CCC(=O)N2CCO[C@H]3[C@@H]2CS(=O)(=O)C3 C#CCCC1(N=N1)CCC(=O)N2CCOC3C2CS(=O)(=O)C3 GQQWKFWYHQGAME-NWDGAFQWSA-N 1-[(4aR,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazin-4-yl]-3-(3-but-3-ynyldiazirin-3-yl)propan-1-one LDPC0389 C147 PAL-AfBPP Probe 146149807 . 320.396 C19H20N4O 77.61 320.1637113 3.05998 24 1 4 6 InChI=1S/C19H20N4O/c1-2-3-9-19(22-23-19)10-11-21-18(24)17-6-4-5-15-12-14(13-20)7-8-16(15)17/h1,7-8,12,17H,3-6,9-11H2,(H,21,24)/t17-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@]2([H])c3c([H])c([H])c(C#N)c([H])c3C([H])([H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2([H])c3c([H])c([H])c(C#N)c([H])c3C([H])([H])C([H])([H])C2([H])[H])N=N1 ARDAAIFXGFMGLZ-KRWDZBQOSA-N . LDPC0390 C149 PAL-AfBPP Probe 146152646 Z4225967441 304.4 C17H28N4O 57.1 472 2.3 22 1 4 8 InChI=1S/C17H28N4O/c1-5-6-9-17(19-20-17)10-11-18-16(22)8-7-15-12-13(2)21(4)14(15)3/h1,13-15H,6-12H2,2-4H3,(H,18,22) CC1CC(C(N1C)C)CCC(=O)NCCC2(N=N2)CCC#C CC1CC(C(N1C)C)CCC(=O)NCCC2(N=N2)CCC#C UZCAQCZPCWJMOT-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(1,2,5-trimethylpyrrolidin-3-yl)propanamide LDPC0391 C150 PAL-AfBPP Probe 146152606 Z4225944315 302.37 C15H22N6O 74.9 474 0.6 22 1 5 8 InChI=1S/C15H22N6O/c1-5-6-7-15(18-19-15)8-9-17-14(22)13(20(2)3)12-10-16-11-21(12)4/h1,10-11,13H,6-9H2,2-4H3,(H,17,22) CN1C=NC=C1C(C(=O)NCCC2(N=N2)CCC#C)N(C)C CN1C=NC=C1C(C(=O)NCCC2(N=N2)CCC#C)N(C)C MJPSZTFRAHGPOE-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetamide LDPC0392 C151 PAL-AfBPP Probe 146152944 . 292.364 C13H16N4O2S 86.94 292.0993968 1.6484 20 2 6 9 InChI=1S/C13H16N4O2S/c1-2-3-5-13(16-17-13)6-4-12(19)15-7-10(18)11-8-14-9-20-11/h1,8-10,18H,3-7H2,(H,15,19)/t10-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])[C@@]([H])(O[H])c2sc([H])nc2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])(O[H])c2sc([H])nc2[H])N=N1 SIQUSPVBBQMGEG-SNVBAGLBSA-N . LDPC0393 C152 PAL-AfBPP Probe 146152603 Z4225943405 284.3 C13H18F2N4O 57.1 431 1.4 20 1 6 8 InChI=1S/C13H18F2N4O/c1-2-3-4-13(17-18-13)5-6-16-12(20)10-7-19(8-10)9-11(14)15/h1,10-11H,3-9H2,(H,16,20) C#CCCC1(N=N1)CCNC(=O)C2CN(C2)CC(F)F C#CCCC1(N=N1)CCNC(=O)C2CN(C2)CC(F)F APKLEHSPFDKAFB-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(2,2-difluoroethyl)azetidine-3-carboxamide LDPC0394 C153 PAL-AfBPP Probe 167832250 Z3426146472 315.4 C17H21N3OS 73.3 527 2.7 22 0 4 5 InChI=1S/C17H21N3OS/c1-4-5-8-17(18-19-17)9-6-15(21)20-12-14-13(7-10-22-14)11-16(20,2)3/h1,7,10H,5-6,8-9,11-12H2,2-3H3 CC1(CC2=C(CN1C(=O)CCC3(N=N3)CCC#C)SC=C2)C CC1(CC2=C(CN1C(=O)CCC3(N=N3)CCC#C)SC=C2)C MREOHSUCFBVHIO-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyridin-6-yl)propan-1-one LDPC0395 C154 PAL-AfBPP Probe 146152925 Z4282859871 326.4 C17H22N6O 84.5 567 0.7 24 1 5 9 InChI=1S/C17H22N6O/c1-2-3-9-17(21-22-17)10-8-15(24)18-11-14-19-20-16(12-4-5-12)23(14)13-6-7-13/h1,12-13H,3-11H2,(H,18,24) C#CCCC1(N=N1)CCC(=O)NCC2=NN=C(N2C3CC3)C4CC4 C#CCCC1(N=N1)CCC(=O)NCC2=NN=C(N2C3CC3)C4CC4 IQVIGIIEERVHLN-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]propanamide LDPC0396 C156 PAL-AfBPP Probe 146149742 . 313.323 C15H18F3N3O 53.82 313.1401969 3.3554 22 1 3 6 InChI=1S/C15H18F3N3O/c1-2-3-9-14(20-21-14)10-8-13(22)19-12-7-5-4-6-11(12)15(16,17)18/h1,4-5,11-12H,3,6-10H2,(H,19,22)/t11-,12-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]2([H])C([H])([H])C([H])=C([H])C([H])([H])[C@@]2([H])C(F)(F)F)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C([H])([H])C([H])=C([H])C([H])([H])C2([H])C(F)(F)F)N=N1 HVXDVHSPIGVNMN-VXGBXAGGSA-N . LDPC0397 C157 PAL-AfBPP Probe 167804890 Z4282859905 350.37 C16H20F2N6O 84.5 568 1.2 25 1 7 8 InChI=1S/C16H20F2N6O/c1-2-3-7-16(22-23-16)8-6-13(25)19-9-11-4-5-12-20-21-15(14(17)18)24(12)10-11/h1,11,14H,3-10H2,(H,19,25) C#CCCC1(N=N1)CCC(=O)NCC2CCC3=NN=C(N3C2)C(F)F C#CCCC1(N=N1)CCC(=O)NCC2CCC3=NN=C(N3C2)C(F)F CRSVOLFBDPABCU-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[[3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]propanamide LDPC0398 C158 PAL-AfBPP Probe 166409977 Z3433406460 366.29 C16H13F3N4O3 96.1 716 2 26 2 8 6 InChI=1S/C16H13F3N4O3/c1-2-3-4-15(22-23-15)5-6-20-13(25)11-7-9-10(16(17,18)19)8-12(24)21-14(9)26-11/h1,7-8H,3-6H2,(H,20,25)(H,21,24) C#CCCC1(N=N1)CCNC(=O)C2=CC3=C(O2)NC(=O)C=C3C(F)(F)F C#CCCC1(N=N1)CCNC(=O)C2=CC3=C(O2)NC(=O)C=C3C(F)(F)F VDKWKCPDHRMLDB-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxamide LDPC0399 C159 PAL-AfBPP Probe 167831349 Z3410164786 358.4 C21H18N4O2 86.8 650 3.5 27 1 5 8 InChI=1S/C21H18N4O2/c1-2-3-12-21(24-25-21)13-11-20(26)23-18-9-4-5-10-19(18)27-17-8-6-7-16(14-17)15-22/h1,4-10,14H,3,11-13H2,(H,23,26) C#CCCC1(N=N1)CCC(=O)NC2=CC=CC=C2OC3=CC=CC(=C3)C#N C#CCCC1(N=N1)CCC(=O)NC2=CC=CC=C2OC3=CC=CC(=C3)C#N KACWCQZQAFKALR-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(3-cyanophenoxy)phenyl]propanamide LDPC0400 C160 PAL-AfBPP Probe 146152936 . 357.429 C20H24FN3O2 74.05 357.1852552 3.6438 26 2 4 9 InChI=1S/C20H24FN3O2/c1-2-3-13-20(23-24-20)14-10-17(25)22-19(11-4-5-12-19)18(26)15-6-8-16(21)9-7-15/h1,6-9,18,26H,3-5,10-14H2,(H,22,25)/t18-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([C@]([H])(O[H])c3c([H])c([H])c(F)c([H])c3[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2(C([H])(O[H])c3c([H])c([H])c(F)c([H])c3[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])N=N1 LELDLUMNFHBPNO-GOSISDBHSA-N . LDPC0401 C161 PAL-AfBPP Probe 146152586 Z4225932648 360.9 C17H17ClN4OS 95 540 3.8 24 1 5 8 InChI=1S/C17H17ClN4OS/c1-2-3-8-17(21-22-17)9-10-19-15(23)6-7-16-20-13-11-12(18)4-5-14(13)24-16/h1,4-5,11H,3,6-10H2,(H,19,23) C#CCCC1(N=N1)CCNC(=O)CCC2=NC3=C(S2)C=CC(=C3)Cl C#CCCC1(N=N1)CCNC(=O)CCC2=NC3=C(S2)C=CC(=C3)Cl GEQFMWHDSFNYLE-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(5-chloro-1,3-benzothiazol-2-yl)propanamide LDPC0402 C162 PAL-AfBPP Probe 146149774 Z3410168035 386.4 C19H26N6O3 101 666 -0.1 28 1 6 9 InChI=1S/C19H26N6O3/c1-4-6-8-19(22-23-19)9-7-15(26)21-12-14-17(18-20-10-11-24(18)3)25(5-2)16(27)13-28-14/h1,10-11,14,17H,5-9,12-13H2,2-3H3,(H,21,26)/t14-,17+/m1/s1 CCN1[C@@H]([C@H](OCC1=O)CNC(=O)CCC2(N=N2)CCC#C)C3=NC=CN3C CCN1C(C(OCC1=O)CNC(=O)CCC2(N=N2)CCC#C)C3=NC=CN3C PCCDTEXWRYABEQ-PBHICJAKSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[[(2R,3R)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholin-2-yl]methyl]propanamide LDPC0403 C163 PAL-AfBPP Probe . . 313.323 C15H18F3N3O 45.03 313.1401969 3.2855 22 0 3 6 InChI=1S/C15H18F3N3O/c1-3-4-6-14(19-20-14)7-5-11(22)21(2)13-8-12(9-13,10-13)15(16,17)18/h1H,4-10H2,2H3 C#CCCC1(CCC(=O)N(C)C23CC(C(F)(F)F)(C2)C3)N=N1 C#CCCC1(CCC(=O)N(C)C23CC(C(F)(F)F)(C2)C3)N=N1 BQBOCEBJXWOTDN-UHFFFAOYSA-N . LDPC0404 C164 PAL-AfBPP Probe 146152957 Z4282860098 330.5 C19H30N4O 48.3 521 2.7 24 0 4 7 InChI=1S/C19H30N4O/c1-3-4-10-19(20-21-19)11-7-18(24)23-12-5-6-17(23)15-22-13-8-16(2)9-14-22/h1,16-17H,4-15H2,2H3 CC1CCN(CC1)CC2CCCN2C(=O)CCC3(N=N3)CCC#C CC1CCN(CC1)CC2CCCN2C(=O)CCC3(N=N3)CCC#C ZJOIUYJLMWFAOU-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[2-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one LDPC0405 C165 PAL-AfBPP Probe . . 333.395 C19H19N5O 62.85 333.1589602 3.0702 25 0 5 6 InChI=1S/C19H19N5O/c1-2-3-10-19(21-22-19)11-9-18(25)23-13-15-12-20-24(17(15)14-23)16-7-5-4-6-8-16/h1,4-8,12H,3,9-11,13-14H2 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])c3c([H])nn(-c4c([H])c([H])c([H])c([H])c4[H])c3C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])c3c([H])nn(-c4c([H])c([H])c([H])c([H])c4[H])c3C2([H])[H])N=N1 KUIHQVVGQONEEX-UHFFFAOYSA-N . LDPC0406 C166 PAL-AfBPP Probe 167803148 Z3433406333 385.4 C22H19N5O2 86.5 738 2.9 29 1 5 7 InChI=1S/C22H19N5O2/c1-2-3-12-22(25-26-22)13-14-23-20(28)16-8-10-17(11-9-16)27-15-24-19-7-5-4-6-18(19)21(27)29/h1,4-11,15H,3,12-14H2,(H,23,28) C#CCCC1(N=N1)CCNC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O C#CCCC1(N=N1)CCNC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C4C3=O GEPLQQKBZJCYJK-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide LDPC0407 C167 PAL-AfBPP Probe 146152887 . 389.459 C22H23N5O2 87.02 389.185175 3.3301 29 1 5 10 InChI=1S/C22H23N5O2/c1-3-4-12-22(25-26-22)13-9-20(28)24-16-17-5-7-19(8-6-17)27(2)21(29)18-10-14-23-15-11-18/h1,5-8,10-11,14-15H,4,9,12-13,16H2,2H3,(H,24,28) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2c([H])c([H])c(N(C(=O)c3c([H])c([H])nc([H])c3[H])C([H])([H])[H])c([H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2c([H])c([H])c(N(C(=O)c3c([H])c([H])nc([H])c3[H])C([H])([H])[H])c([H])c2[H])N=N1 HDGXTEXYKZCARE-UHFFFAOYSA-N . LDPC0408 C168 PAL-AfBPP Probe . . 317.349 C15H19N5O3 100.96 317.1487895 1.0278 23 2 6 8 InChI=1S/C15H19N5O3/c1-2-3-5-15(19-20-15)6-4-14(21)18-12-9-22-10-13(12)23-11-7-16-17-8-11/h1,7-8,12-13H,3-6,9-10H2,(H,16,17)(H,18,21)/t12-,13+/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]2([H])C([H])([H])OC([H])([H])[C@]2([H])Oc2c([H])nn([H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C([H])([H])OC([H])([H])C2([H])Oc2c([H])nn([H])c2[H])N=N1 LKKKCXBSUCPDER-OLZOCXBDSA-N . LDPC0409 C169 PAL-AfBPP Probe 146152592 Z4225935140 322.4 C19H22N4O 69.6 529 3.1 24 2 3 8 InChI=1S/C19H22N4O/c1-3-4-10-19(22-23-19)11-12-20-17(24)9-8-15-13-21-16-7-5-6-14(2)18(15)16/h1,5-7,13,21H,4,8-12H2,2H3,(H,20,24) CC1=C2C(=CC=C1)NC=C2CCC(=O)NCCC3(N=N3)CCC#C CC1=C2C(=CC=C1)NC=C2CCC(=O)NCCC3(N=N3)CCC#C XERKRMOLNNBSEO-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(4-methyl-1H-indol-3-yl)propanamide LDPC0410 C170 PAL-AfBPP Probe 146152978 Z4282860420 350.5 C21H26N4O 48.3 594 2.8 26 0 4 7 InChI=1S/C21H26N4O/c1-2-3-11-21(22-23-21)12-9-20(26)25-15-10-18-17(7-6-8-19(18)25)16-24-13-4-5-14-24/h1,6-8H,3-5,9-16H2 C#CCCC1(N=N1)CCC(=O)N2CCC3=C(C=CC=C32)CN4CCCC4 C#CCCC1(N=N1)CCC(=O)N2CCC3=C(C=CC=C32)CN4CCCC4 JKWINQQYLNKDEU-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one LDPC0411 C171 PAL-AfBPP Probe 146152883 Z4282859626 290.4 C16H26N4O 57.1 468 2.1 21 1 4 7 InChI=1S/C16H26N4O/c1-5-7-9-16(18-19-16)10-8-14(21)17-13-11-20(6-2)12-15(13,3)4/h1,13H,6-12H2,2-4H3,(H,17,21) CCN1CC(C(C1)(C)C)NC(=O)CCC2(N=N2)CCC#C CCN1CC(C(C1)(C)C)NC(=O)CCC2(N=N2)CCC#C GQZQKFZKBPDIBN-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(1-ethyl-4,4-dimethylpyrrolidin-3-yl)propanamide LDPC0412 C172 PAL-AfBPP Probe . . 331.366 C18H19F2N3O 53.82 331.1496187 3.6827 24 1 3 7 InChI=1S/C18H19F2N3O/c1-2-3-5-18(22-23-18)6-4-17(24)21-16-9-13(10-16)12-7-14(19)11-15(20)8-12/h1,7-8,11,13,16H,3-6,9-10H2,(H,21,24)/t13-,16- [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]2([H])C([H])([H])[C@@]([H])(c3c([H])c(F)c([H])c(F)c3[H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C([H])([H])C([H])(c3c([H])c(F)c([H])c(F)c3[H])C2([H])[H])N=N1 GXMOCFUKQMJIGW-SAZUREKKSA-N . LDPC0413 C173 PAL-AfBPP Probe 146149817 Z3433405276 329.38 C14H15N7OS 126 511 1.6 23 1 7 8 InChI=1S/C14H15N7OS/c1-2-3-5-14(17-18-14)6-7-15-12(22)9-21-13(16-19-20-21)11-4-8-23-10-11/h1,4,8,10H,3,5-7,9H2,(H,15,22) C#CCCC1(N=N1)CCNC(=O)CN2C(=NN=N2)C3=CSC=C3 C#CCCC1(N=N1)CCNC(=O)CN2C(=NN=N2)C3=CSC=C3 LWVOQVXIKJLTCI-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(5-thiophen-3-yltetrazol-1-yl)acetamide LDPC0414 C174 PAL-AfBPP Probe 146152914 . 313.317 C15H15N5O3 105.04 313.1174893 1.7067 23 2 6 6 InChI=1S/C15H15N5O3/c1-2-3-5-15(19-20-15)6-4-12(21)17-10-7-11-14(16-8-10)18-13(22)9-23-11/h1,7-8H,3-6,9H2,(H,17,21)(H,16,18,22) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])nc3c(c2[H])OC([H])([H])C(=O)N3[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])nc3c(c2[H])OC([H])([H])C(=O)N3[H])N=N1 UUJPXPZJMHIAAX-UHFFFAOYSA-N . LDPC0415 C176 PAL-AfBPP Probe 146149815 Z3433405212 286.33 C15H18N4O2 75.9 434 1 21 1 5 8 InChI=1S/C15H18N4O2/c1-3-4-5-15(18-19-15)6-7-17-14(20)13-8-12(11-21-2)9-16-10-13/h1,8-10H,4-7,11H2,2H3,(H,17,20) COCC1=CC(=CN=C1)C(=O)NCCC2(N=N2)CCC#C COCC1=CC(=CN=C1)C(=O)NCCC2(N=N2)CCC#C MDOPUUNLIAWXLO-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(methoxymethyl)pyridine-3-carboxamide LDPC0416 C177 PAL-AfBPP Probe 146152648 Z4225967588 344.36 C14H15F3N4OS 95 522 3.6 23 1 8 7 InChI=1S/C14H15F3N4OS/c1-3-4-5-13(20-21-13)6-7-18-12(22)11-9(2)19-10(23-11)8-14(15,16)17/h1H,4-8H2,2H3,(H,18,22) CC1=C(SC(=N1)CC(F)(F)F)C(=O)NCCC2(N=N2)CCC#C CC1=C(SC(=N1)CC(F)(F)F)C(=O)NCCC2(N=N2)CCC#C RFBOVLUSGVVPQY-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide LDPC0417 C178 PAL-AfBPP Probe . . 313.401 C18H23N3O2 54.26 313.179027 3.71222 23 0 4 11 InChI=1S/C18H23N3O2/c1-5-7-11-18(19-20-18)12-10-17(22)21(6-2)15-13-14(3)8-9-16(15)23-4/h1,8-9,13H,6-7,10-12H2,2-4H3 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N(c2c([H])c(C([H])([H])[H])c([H])c([H])c2OC([H])([H])[H])C([H])([H])C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N(c2c([H])c(C([H])([H])[H])c([H])c([H])c2OC([H])([H])[H])C([H])([H])C([H])([H])[H])N=N1 SXXFMJXPTGYBJY-UHFFFAOYSA-N . LDPC0418 C179 PAL-AfBPP Probe 146149776 Z4282860724 357.4 C18H23N5O3 103 716 0.9 26 2 5 5 InChI=1S/C18H23N5O3/c1-2-3-8-18(21-22-18)9-7-14(24)23-12-5-4-6-13(23)11-17(10-12)15(25)19-16(26)20-17/h1,12-13H,3-11H2,(H2,19,20,25,26) C#CCCC1(N=N1)CCC(=O)N2C3CCCC2CC4(C3)C(=O)NC(=O)N4 C#CCCC1(N=N1)CCC(=O)N2C3CCCC2CC4(C3)C(=O)NC(=O)N4 ZCNXARVNAPHWAS-UHFFFAOYSA-N 9-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]spiro[9-azabicyclo[3.3.1]nonane-3,5'-imidazolidine]-2',4'-dione LDPC0419 C180 PAL-AfBPP Probe 146152912 . 324.406 C14H20N4O3S 99.99 324.1256115 0.6826 22 2 5 7 InChI=1S/C14H20N4O3S/c1-2-3-5-14(17-18-14)6-4-12(19)15-10-11-9-13(7-8-13)22(20,21)16-11/h1,11,16H,3-10H2,(H,15,19)/t11-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])[C@@]2([H])N([H])S(=O)(=O)C3(C([H])([H])C3([H])[H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C2([H])N([H])S(=O)(=O)C3(C([H])([H])C3([H])[H])C2([H])[H])N=N1 PAXACHREGOOXSX-NSHDSACASA-N . LDPC0420 C182 PAL-AfBPP Probe 146149772 Z3410167652 381.5 C20H27N7O 86.1 630 1.3 28 1 7 9 InChI=1S/C20H27N7O/c1-2-3-6-20(24-25-20)7-5-17(28)23-19(8-9-19)16-26-12-14-27(15-13-26)18-21-10-4-11-22-18/h1,4,10-11H,3,5-9,12-16H2,(H,23,28) C#CCCC1(N=N1)CCC(=O)NC2(CC2)CN3CCN(CC3)C4=NC=CC=N4 C#CCCC1(N=N1)CCC(=O)NC2(CC2)CN3CCN(CC3)C4=NC=CC=N4 ISBNBDUIPPEKHD-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]propanamide LDPC0421 C183 PAL-AfBPP Probe 146152903 . 371.441 C18H18FN5OS 79.6 371.1216094 3.8771 26 1 6 9 InChI=1S/C18H18FN5OS/c1-3-4-10-18(23-24-18)11-9-15(25)20-12(2)16-21-22-17(26-16)13-7-5-6-8-14(13)19/h1,5-8,12H,4,9-11H2,2H3,(H,20,25)/t12-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(c2nnc(-c3c([H])c([H])c([H])c([H])c3F)s2)C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])(c2nnc(-c3c([H])c([H])c([H])c([H])c3F)s2)C([H])([H])[H])N=N1 ZEFTUHLMULDFIR-LBPRGKRZSA-N . LDPC0422 C184 PAL-AfBPP Probe 146152947 Z4282859987 302.37 C16H22N4O2 70.2 460 1.3 22 1 5 9 InChI=1S/C16H22N4O2/c1-4-5-9-16(18-19-16)10-8-15(21)17-13(12-20(2)3)14-7-6-11-22-14/h1,6-7,11,13H,5,8-10,12H2,2-3H3,(H,17,21) CN(C)CC(C1=CC=CO1)NC(=O)CCC2(N=N2)CCC#C CN(C)CC(C1=CC=CO1)NC(=O)CCC2(N=N2)CCC#C VJFINGOUMAWJHD-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(dimethylamino)-1-(furan-2-yl)ethyl]propanamide LDPC0423 C185 PAL-AfBPP Probe 146152610 Z4225948630 361.4 C17H19N3O4S 106 682 1.4 25 1 6 7 InChI=1S/C17H19N3O4S/c1-2-3-8-17(19-20-17)9-10-18-16(21)11-13-12-25(22,23)15-7-5-4-6-14(15)24-13/h1,4-7,13H,3,8-12H2,(H,18,21) C#CCCC1(N=N1)CCNC(=O)CC2CS(=O)(=O)C3=CC=CC=C3O2 C#CCCC1(N=N1)CCNC(=O)CC2CS(=O)(=O)C3=CC=CC=C3O2 MUGQUYBENGAMHQ-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4,4-dioxo-2,3-dihydro-1,4lambda6-benzoxathiin-2-yl)acetamide LDPC0424 C186 PAL-AfBPP Probe 146152979 Z4282860423 428 C23H30ClN5O 51.5 666 3.7 30 0 5 7 InChI=1S/C23H30ClN5O/c1-2-3-11-23(25-26-23)12-8-22(30)29-13-9-19(10-14-29)27-15-17-28(18-16-27)21-7-5-4-6-20(21)24/h1,4-7,19H,3,8-18H2 C#CCCC1(N=N1)CCC(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4Cl C#CCCC1(N=N1)CCC(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4Cl XJJUMNVNYSIFMR-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[4-[4-(2-chlorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one LDPC0425 C187 PAL-AfBPP Probe 146149814 Z3433405206 335.4 C18H17N5O2 88.8 529 2.5 25 1 6 8 InChI=1S/C18H17N5O2/c1-2-3-9-18(22-23-18)10-11-19-17(24)15-12-21-16(13-20-15)25-14-7-5-4-6-8-14/h1,4-8,12-13H,3,9-11H2,(H,19,24) C#CCCC1(N=N1)CCNC(=O)C2=CN=C(C=N2)OC3=CC=CC=C3 C#CCCC1(N=N1)CCNC(=O)C2=CN=C(C=N2)OC3=CC=CC=C3 UUXWZPBGRWVQTA-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-phenoxypyrazine-2-carboxamide LDPC0426 C189 PAL-AfBPP Probe 167747015 Z4282860157 366.4 C18H22N8O 115 637 1.1 27 2 6 7 InChI=1S/C18H22N8O/c1-3-5-7-18(24-25-18)8-6-15(27)26-10-12-9-19-22-16(12)13(11-26)17-20-14(4-2)21-23-17/h1,9,13H,4-8,10-11H2,2H3,(H,19,22)(H,20,21,23) CCC1=NC(=NN1)C2CN(CC3=C2NN=C3)C(=O)CCC4(N=N4)CCC#C CCC1=NC(=NN1)C2CN(CC3=C2NN=C3)C(=O)CCC4(N=N4)CCC#C DOSCEZUSVHENII-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[7-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one LDPC0427 C190 PAL-AfBPP Probe 146153079 Z4286591700 302.37 C16H22N4O2 82.9 542 0.9 22 2 4 6 InChI=1S/C16H22N4O2/c1-2-3-6-16(19-20-16)7-8-17-15(22)12-5-4-11-10-14(21)18-13(11)9-12/h1,11-13H,3-10H2,(H,17,22)(H,18,21) C#CCCC1(N=N1)CCNC(=O)C2CCC3CC(=O)NC3C2 C#CCCC1(N=N1)CCNC(=O)C2CCC3CC(=O)NC3C2 NHFUTIIVTNUFJJ-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-oxo-1,3,3a,4,5,6,7,7a-octahydroindole-6-carboxamide LDPC0428 C191 PAL-AfBPP Probe 154879082 Z3397334394 361.4 C20H19N5O2 97.9 781 0.8 27 1 5 5 InChI=1S/C20H19N5O2/c1-2-3-9-19(23-24-19)10-8-17(26)25-12-14(11-21)20(13-25)15-6-4-5-7-16(15)22-18(20)27/h1,4-7,14H,3,8-10,12-13H2,(H,22,27) C#CCCC1(N=N1)CCC(=O)N2CC(C3(C2)C4=CC=CC=C4NC3=O)C#N C#CCCC1(N=N1)CCC(=O)N2CC(C3(C2)C4=CC=CC=C4NC3=O)C#N DRNAAQMFHMHWAZ-UHFFFAOYSA-N 1'-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carbonitrile LDPC0429 C193 PAL-AfBPP Probe 166417417 Z4282860001 362.4 C21H22N4O2 75.9 576 2.8 27 1 5 9 InChI=1S/C21H22N4O2/c1-3-4-13-21(24-25-21)14-12-19(26)23-20(17-10-7-8-15-22-17)16-9-5-6-11-18(16)27-2/h1,5-11,15,20H,4,12-14H2,2H3,(H,23,26) COC1=CC=CC=C1C(C2=CC=CC=N2)NC(=O)CCC3(N=N3)CCC#C COC1=CC=CC=C1C(C2=CC=CC=N2)NC(=O)CCC3(N=N3)CCC#C YIRAKZJMRWANTE-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]propanamide LDPC0430 C194 PAL-AfBPP Probe 146149851 . 343.402 C19H22FN3O2 63.05 343.1696052 2.9992 25 1 4 8 InChI=1S/C19H22FN3O2/c1-2-3-10-19(22-23-19)11-12-21-17(24)18(9-4-13-25-18)14-15-5-7-16(20)8-6-15/h1,5-8H,3-4,9-14H2,(H,21,24)/t18-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@]2(C([H])([H])c3c([H])c([H])c(F)c([H])c3[H])OC([H])([H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2(C([H])([H])c3c([H])c([H])c(F)c([H])c3[H])OC([H])([H])C([H])([H])C2([H])[H])N=N1 OUSLFJDGNKGYNW-SFHVURJKSA-N . LDPC0431 C195 PAL-AfBPP Probe 146149749 Z4286347580 317.4 C18H27N3O2 54.3 540 2.5 23 0 4 5 InChI=1S/C18H27N3O2/c1-4-5-8-18(19-20-18)9-6-16(22)21-12-14-7-10-23-15(14)11-17(2,3)13-21/h1,14-15H,5-13H2,2-3H3/t14-,15+/m1/s1 CC1(C[C@H]2[C@H](CCO2)CN(C1)C(=O)CCC3(N=N3)CCC#C)C CC1(CC2C(CCO2)CN(C1)C(=O)CCC3(N=N3)CCC#C)C WBAXREUJWRWHPI-CABCVRRESA-N 1-[(3aR,8aS)-7,7-dimethyl-3,3a,4,6,8,8a-hexahydro-2H-furo[3,2-c]azepin-5-yl]-3-(3-but-3-ynyldiazirin-3-yl)propan-1-one LDPC0432 C196 PAL-AfBPP Probe . . 348.406 C20H20N4O2 96.91 348.1586259 2.8381 26 2 4 8 InChI=1S/C20H20N4O2/c1-2-3-11-20(23-24-20)12-10-17(25)22-18(19(21)26)16-9-8-14-6-4-5-7-15(14)13-16/h1,4-9,13,18H,3,10-12H2,(H2,21,26)(H,22,25)/t18-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[H])c2c([H])c([H])c3c([H])c([H])c([H])c([H])c3c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])[H])c2c([H])c([H])c3c([H])c([H])c([H])c([H])c3c2[H])N=N1 SAHFDIXEDDCOOB-GOSISDBHSA-N . LDPC0433 C197 PAL-AfBPP Probe 167946484 Z4282860310 350.5 C21H26N4O 48.3 609 2.5 26 0 4 6 InChI=1S/C21H26N4O/c1-3-4-11-21(22-23-21)12-10-19(26)25-14-17-13-24(2)20(18(17)15-25)16-8-6-5-7-9-16/h1,5-9,17-18,20H,4,10-15H2,2H3 CN1CC2CN(CC2C1C3=CC=CC=C3)C(=O)CCC4(N=N4)CCC#C CN1CC2CN(CC2C1C3=CC=CC=C3)C(=O)CCC4(N=N4)CCC#C IGPYVVOODXVYCI-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(2-methyl-3-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-one LDPC0434 C198 PAL-AfBPP Probe 146152950 Z4282859993 369.4 C19H20FN5O2 80.9 598 2.1 27 1 6 9 InChI=1S/C19H20FN5O2/c1-3-4-8-19(23-24-19)9-7-18(26)22-16-10-15(20)5-6-17(16)27-13-14-11-21-25(2)12-14/h1,5-6,10-12H,4,7-9,13H2,2H3,(H,22,26) CN1C=C(C=N1)COC2=C(C=C(C=C2)F)NC(=O)CCC3(N=N3)CCC#C CN1C=C(C=N1)COC2=C(C=C(C=C2)F)NC(=O)CCC3(N=N3)CCC#C KJBXILGENHHPRC-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propanamide LDPC0435 C199 PAL-AfBPP Probe 146153049 Z4286591386 352.4 C15H20N4O4S 122 640 0.8 24 2 7 9 InChI=1S/C15H20N4O4S/c1-4-5-6-15(18-19-15)7-8-16-14(20)13-9-12(23-11(13)2)10-17-24(3,21)22/h1,9,17H,5-8,10H2,2-3H3,(H,16,20) CC1=C(C=C(O1)CNS(=O)(=O)C)C(=O)NCCC2(N=N2)CCC#C CC1=C(C=C(O1)CNS(=O)(=O)C)C(=O)NCCC2(N=N2)CCC#C XPSBHZMLFDWRDF-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(methanesulfonamidomethyl)-2-methylfuran-3-carboxamide LDPC0436 C200 PAL-AfBPP Probe 146152929 Z4282859891 343.4 C18H25N5O2 91.9 563 0.9 25 2 5 8 InChI=1S/C18H25N5O2/c1-3-4-8-18(21-22-18)9-7-17(25)20-14-5-6-16-15(12-14)19-13(2)23(16)10-11-24/h1,14,24H,4-12H2,2H3,(H,20,25) CC1=NC2=C(N1CCO)CCC(C2)NC(=O)CCC3(N=N3)CCC#C CC1=NC2=C(N1CCO)CCC(C2)NC(=O)CCC3(N=N3)CCC#C MRSKLZNQAODZTQ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]propanamide LDPC0437 C201 PAL-AfBPP Probe 146152597 Z4225936504 325.4 C19H23N3O2 63 516 3.8 24 1 4 8 InChI=1S/C19H23N3O2/c1-2-3-10-19(21-22-19)11-12-20-18(23)14-24-17-9-8-15-6-4-5-7-16(15)13-17/h1,8-9,13H,3-7,10-12,14H2,(H,20,23) C#CCCC1(N=N1)CCNC(=O)COC2=CC3=C(CCCC3)C=C2 C#CCCC1(N=N1)CCNC(=O)COC2=CC3=C(CCCC3)C=C2 NXVKOXRRJWPOQM-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide LDPC0438 C203 PAL-AfBPP Probe 146149744 Z3410163852 352.4 C17H20N8O 100 607 0.8 26 1 7 7 InChI=1S/C17H20N8O/c1-2-3-8-17(22-23-17)9-6-16(26)19-13-7-10-24(11-13)15-5-4-14-20-18-12-25(14)21-15/h1,4-5,12-13H,3,6-11H2,(H,19,26) C#CCCC1(N=N1)CCC(=O)NC2CCN(C2)C3=NN4C=NN=C4C=C3 C#CCCC1(N=N1)CCC(=O)NC2CCN(C2)C3=NN4C=NN=C4C=C3 YZDMPTYAXPPQAE-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide LDPC0439 C204 PAL-AfBPP Probe 154884284 Z3337874567 365.5 C16H19N3O3S2 125 683 2 24 1 6 6 InChI=1S/C16H19N3O3S2/c1-3-4-7-16(18-19-16)8-5-14(20)17-13-10-11(2)24(21,22)15-12(13)6-9-23-15/h1,6,9,11,13H,4-5,7-8,10H2,2H3,(H,17,20)/t11-,13-/m0/s1 C[C@H]1C[C@@H](C2=C(S1(=O)=O)SC=C2)NC(=O)CCC3(N=N3)CCC#C CC1CC(C2=C(S1(=O)=O)SC=C2)NC(=O)CCC3(N=N3)CCC#C BKGQGLMTOJMPMR-AAEUAGOBSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide LDPC0440 C205 PAL-AfBPP Probe 146149846 . 353.348 C16H18F3N5O 71.64 353.1463449 2.9336 25 1 5 6 InChI=1S/C16H18F3N5O/c1-2-3-7-15(22-23-15)8-9-20-14(25)12-13(16(17,18)19)21-11-6-4-5-10-24(11)12/h1H,3-10H2,(H,20,25) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c(C(F)(F)F)nc3n2C([H])([H])C([H])([H])C([H])([H])C3([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c(C(F)(F)F)nc3n2C([H])([H])C([H])([H])C([H])([H])C3([H])[H])N=N1 JWVQBFCRMBCFSA-UHFFFAOYSA-N . LDPC0441 C206 PAL-AfBPP Probe 154884280 Z3337872146 385.4 C18H19N5O3S 121 630 1.7 27 0 8 7 InChI=1S/C18H19N5O3S/c1-2-3-7-18(21-22-18)8-6-15(24)23-9-10-25-12-13(23)17-19-16(20-26-17)14-5-4-11-27-14/h1,4-5,11,13H,3,6-10,12H2 C#CCCC1(N=N1)CCC(=O)N2CCOCC2C3=NC(=NO3)C4=CC=CS4 C#CCCC1(N=N1)CCC(=O)N2CCOCC2C3=NC(=NO3)C4=CC=CS4 OXAARSJQJLZGHX-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one LDPC0442 C207 PAL-AfBPP Probe . . 358.445 C22H22N4O 57.06 358.1793613 4.501 27 1 4 7 InChI=1S/C22H22N4O/c1-2-3-12-22(24-25-22)13-11-21(27)23-19-10-9-17-15-26(16-18(17)14-19)20-7-5-4-6-8-20/h1,4-10,14H,3,11-13,15-16H2,(H,23,27) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c3c(c2[H])C([H])([H])N(c2c([H])c([H])c([H])c([H])c2[H])C3([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c3c(c2[H])C([H])([H])N(c2c([H])c([H])c([H])c([H])c2[H])C3([H])[H])N=N1 JDQGWDVYYBEFRE-UHFFFAOYSA-N . LDPC0443 C208 PAL-AfBPP Probe 146152970 . 330.476 C19H30N4O 48.27 330.2419616 3.0634 24 0 4 9 InChI=1S/C19H30N4O/c1-4-5-9-19(20-21-19)10-8-18(24)23-14-16(13-17(23)15(2)3)22-11-6-7-12-22/h1,15-17H,5-14H2,2-3H3/t16-,17-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])[C@]([H])(N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])[C@]2([H])C([H])(C([H])([H])[H])C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])(N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])C([H])(C([H])([H])[H])C([H])([H])[H])N=N1 KAJXECKGUUHKRK-IAGOWNOFSA-N . LDPC0444 C210 PAL-AfBPP Probe 146149834 Z3433407249 346.4 C19H18N6O 98.3 604 2.8 26 3 4 7 InChI=1S/C19H18N6O/c1-2-3-8-19(24-25-19)9-10-20-18(26)17-11-16(22-23-17)14-12-21-15-7-5-4-6-13(14)15/h1,4-7,11-12,21H,3,8-10H2,(H,20,26)(H,22,23) C#CCCC1(N=N1)CCNC(=O)C2=CC(=NN2)C3=CNC4=CC=CC=C43 C#CCCC1(N=N1)CCNC(=O)C2=CC(=NN2)C3=CNC4=CC=CC=C43 IUIBTTVXFZIYGI-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide LDPC0445 C211 PAL-AfBPP Probe 146149777 . 394.519 C23H30N4O2 57.5 394.2368762 3.2341 29 0 5 8 InChI=1S/C23H30N4O2/c1-3-4-11-23(24-25-23)12-10-21(28)27-14-13-22(18-27)17-26(15-19(2)29-22)16-20-8-6-5-7-9-20/h1,5-9,19H,4,10-18H2,2H3/t19-,22+/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])[C@@]3(O[C@]([H])(C([H])([H])[H])C([H])([H])N(C([H])([H])c4c([H])c([H])c([H])c([H])c4[H])C3([H])[H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C3(OC([H])(C([H])([H])[H])C([H])([H])N(C([H])([H])c4c([H])c([H])c([H])c([H])c4[H])C3([H])[H])C2([H])[H])N=N1 LUCVQJLNLARSTR-KNQAVFIVSA-N . LDPC0446 C212 PAL-AfBPP Probe 146152612 . 299.378 C16H21N5O 71.64 299.1746103 2.4758 22 1 5 7 InChI=1S/C16H21N5O/c1-3-4-8-16(19-20-16)9-10-17-15(22)13-11-18-14-7-5-6-12(2)21(13)14/h1,11-12H,4-10H2,2H3,(H,17,22)/t12-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])nc3n2[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])nc3n2C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])N=N1 FTVAWZKOCXEPFN-LBPRGKRZSA-N . LDPC0447 C213 PAL-AfBPP Probe 167946126 Z4282860062 375.8 C19H22ClN3O3 63.5 582 2.6 26 0 5 7 InChI=1S/C19H22ClN3O3/c1-3-4-9-19(21-22-19)10-8-17(24)23-11-12-26-16(13-23)18-14(20)6-5-7-15(18)25-2/h1,5-7,16H,4,8-13H2,2H3 COC1=C(C(=CC=C1)Cl)C2CN(CCO2)C(=O)CCC3(N=N3)CCC#C COC1=C(C(=CC=C1)Cl)C2CN(CCO2)C(=O)CCC3(N=N3)CCC#C AJLISZJEXGXFBF-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[2-(2-chloro-6-methoxyphenyl)morpholin-4-yl]propan-1-one LDPC0448 C214 PAL-AfBPP Probe 166409257 Z3337873097 364.4 C19H20N6O2 112 613 1.9 27 3 5 9 InChI=1S/C19H20N6O2/c1-2-3-11-19(24-25-19)12-9-16(26)22-17(14-7-5-4-6-8-14)18(27)21-15-10-13-20-23-15/h1,4-8,10,13,17H,3,9,11-12H2,(H,22,26)(H2,20,21,23,27) C#CCCC1(N=N1)CCC(=O)NC(C2=CC=CC=C2)C(=O)NC3=CC=NN3 C#CCCC1(N=N1)CCC(=O)NC(C2=CC=CC=C2)C(=O)NC3=CC=NN3 YBPMLTLNTFAYIQ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide LDPC0449 C215 PAL-AfBPP Probe 146152627 . 327.384 C18H21N3O3 72.28 327.1582915 2.2539 24 1 5 9 InChI=1S/C18H21N3O3/c1-3-4-9-18(20-21-18)10-11-19-16(22)14-5-7-15(8-6-14)17(23-2)12-24-13-17/h1,5-8H,4,9-13H2,2H3,(H,19,22) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])c([H])c(C3(OC([H])([H])[H])C([H])([H])OC3([H])[H])c([H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])c([H])c(C3(OC([H])([H])[H])C([H])([H])OC3([H])[H])c([H])c2[H])N=N1 TYRYJKDXUMTZEA-UHFFFAOYSA-N . LDPC0450 C216 PAL-AfBPP Probe 146153057 Z4286591497 337.4 C17H19N7O 97.4 563 2.4 25 1 6 7 InChI=1S/C17H19N7O/c1-4-5-8-17(20-21-17)9-10-18-16(25)14-7-6-12(2)13(3)15(14)24-11-19-22-23-24/h1,6-7,11H,5,8-10H2,2-3H3,(H,18,25) CC1=C(C(=C(C=C1)C(=O)NCCC2(N=N2)CCC#C)N3C=NN=N3)C CC1=C(C(=C(C=C1)C(=O)NCCC2(N=N2)CCC#C)N3C=NN=N3)C AJTKUTIUWADWKG-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide LDPC0451 C217 PAL-AfBPP Probe 146152633 Z4225960964 332.35 C17H18F2N4O 66.7 566 2.3 24 1 6 7 InChI=1S/C17H18F2N4O/c1-2-3-6-17(22-23-17)7-9-21-14(24)15(11-16(18,19)12-15)13-5-4-8-20-10-13/h1,4-5,8,10H,3,6-7,9,11-12H2,(H,21,24) C#CCCC1(N=N1)CCNC(=O)C2(CC(C2)(F)F)C3=CN=CC=C3 C#CCCC1(N=N1)CCNC(=O)C2(CC(C2)(F)F)C3=CN=CC=C3 FURHDKFKNPWATC-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3,3-difluoro-1-pyridin-3-ylcyclobutane-1-carboxamide LDPC0452 C218 PAL-AfBPP Probe 167893425 Z4282859646 383.8 C18H18ClN7O 97.4 637 2.7 27 1 6 8 InChI=1S/C18H18ClN7O/c1-2-3-9-18(22-23-18)10-8-16(27)20-13-6-7-14(19)15(11-13)26-17(12-4-5-12)21-24-25-26/h1,6-7,11-12H,3-5,8-10H2,(H,20,27) C#CCCC1(N=N1)CCC(=O)NC2=CC(=C(C=C2)Cl)N3C(=NN=N3)C4CC4 C#CCCC1(N=N1)CCC(=O)NC2=CC(=C(C=C2)Cl)N3C(=NN=N3)C4CC4 ZOIXHZFIBUJDEH-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide LDPC0453 C219 PAL-AfBPP Probe 146149752 Z4282860711 323.4 C17H23F2N3O 53.8 529 3.1 23 1 5 7 InChI=1S/C17H23F2N3O/c1-2-3-9-16(21-22-16)10-8-15(23)20-11-12-4-6-13-14(7-5-12)17(13,18)19/h1,12-14H,3-11H2,(H,20,23) C#CCCC1(N=N1)CCC(=O)NCC2CCC3C(C3(F)F)CC2 C#CCCC1(N=N1)CCC(=O)NCC2CCC3C(C3(F)F)CC2 CBIOGZOZXBZTKO-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[(8,8-difluoro-4-bicyclo[5.1.0]octanyl)methyl]propanamide LDPC0454 C220 PAL-AfBPP Probe 146152974 Z4282860386 345.4 C19H21F2N3O 45 579 3.4 25 0 5 6 InChI=1S/C19H21F2N3O/c1-3-4-9-19(22-23-19)10-7-18(25)24-11-8-15(13(24)2)14-5-6-16(20)17(21)12-14/h1,5-6,12-13,15H,4,7-11H2,2H3 CC1C(CCN1C(=O)CCC2(N=N2)CCC#C)C3=CC(=C(C=C3)F)F CC1C(CCN1C(=O)CCC2(N=N2)CCC#C)C3=CC(=C(C=C3)F)F QGPCNAUNFRAJPL-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[3-(3,4-difluorophenyl)-2-methylpyrrolidin-1-yl]propan-1-one LDPC0455 C221 PAL-AfBPP Probe 166416577 Z4225937760 289.38 C15H23N5O 60.3 474 0.8 21 1 5 6 InChI=1S/C15H23N5O/c1-2-3-5-15(17-18-15)6-7-16-14(21)13-12-19-8-4-9-20(13)11-10-19/h1,13H,3-12H2,(H,16,21) C#CCCC1(N=N1)CCNC(=O)C2CN3CCCN2CC3 C#CCCC1(N=N1)CCNC(=O)C2CN3CCCN2CC3 SQWHSWXQMJPAEW-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1,5-diazabicyclo[3.2.2]nonane-6-carboxamide LDPC0456 C222 PAL-AfBPP Probe 146152632 Z4225960688 328.4 C17H20N4OS 95 576 2.6 23 1 5 7 InChI=1S/C17H20N4OS/c1-2-3-5-17(20-21-17)7-8-19-15(22)14-12-4-6-16(14,9-12)13-10-18-11-23-13/h1,10-12,14H,3-9H2,(H,19,22) C#CCCC1(N=N1)CCNC(=O)C2C3CCC2(C3)C4=CN=CS4 C#CCCC1(N=N1)CCNC(=O)C2C3CCC2(C3)C4=CN=CS4 LFFDYOGFEFQFDY-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1,3-thiazol-5-yl)bicyclo[2.1.1]hexane-5-carboxamide LDPC0457 C223 PAL-AfBPP Probe . . 382.508 C22H30N4O2 66.29 382.2368762 3.55 28 1 5 11 InChI=1S/C22H30N4O2/c1-4-5-13-22(24-25-22)14-12-20(27)23-16-18-7-6-15-26(2)21(18)17-8-10-19(28-3)11-9-17/h1,8-11,18,21H,5-7,12-16H2,2-3H3,(H,23,27)/t18-,21+/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]2([H])c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C2([H])C([H])(c3c([H])c([H])c(OC([H])([H])[H])c([H])c3[H])N(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])N=N1 ABZFYTMKECPTOC-NQIIRXRSSA-N . LDPC0458 C225 PAL-AfBPP Probe 146152916 Z4282859816 313.4 C18H23N3O2 63 464 3.1 23 1 4 9 InChI=1S/C18H23N3O2/c1-4-5-10-18(20-21-18)11-9-16(22)19-12-13-23-17-14(2)7-6-8-15(17)3/h1,6-8H,5,9-13H2,2-3H3,(H,19,22) CC1=C(C(=CC=C1)C)OCCNC(=O)CCC2(N=N2)CCC#C CC1=C(C(=CC=C1)C)OCCNC(=O)CCC2(N=N2)CCC#C LBDYZAGFEBROBP-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(2,6-dimethylphenoxy)ethyl]propanamide LDPC0459 C226 PAL-AfBPP Probe 146152943 Z4282859959 404.5 C23H24N4O3 85.2 667 3.1 30 1 6 9 InChI=1S/C23H24N4O3/c1-2-3-12-23(26-27-23)13-11-22(28)25-18(15-17-8-6-7-14-24-17)21-16-29-19-9-4-5-10-20(19)30-21/h1,4-10,14,18,21H,3,11-13,15-16H2,(H,25,28) C#CCCC1(N=N1)CCC(=O)NC(CC2=CC=CC=N2)C3COC4=CC=CC=C4O3 C#CCCC1(N=N1)CCC(=O)NC(CC2=CC=CC=N2)C3COC4=CC=CC=C4O3 FQAKOPHJPJAARG-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-pyridin-2-ylethyl]propanamide LDPC0460 C227 PAL-AfBPP Probe . . 323.418 C15H21N3O3S 79.17 323.1303625 1.3777 22 0 5 5 InChI=1S/C15H21N3O3S/c1-2-3-7-15(16-17-15)8-6-14(19)18-10-12-5-4-9-22(20,21)13(12)11-18/h1,12-13H,3-11H2/t12-,13+/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])[C@]3([H])C([H])([H])C([H])([H])C([H])([H])S(=O)(=O)[C@]3([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C3([H])C([H])([H])C([H])([H])C([H])([H])S(=O)(=O)C3([H])C2([H])[H])N=N1 CEPJGKDCUAFIOK-QWHCGFSZSA-N . LDPC0461 C228 PAL-AfBPP Probe . . 367.449 C21H25N3O3 74.49 367.1895917 2.4815 27 1 5 8 InChI=1S/C21H25N3O3/c1-2-3-11-21(22-23-21)12-10-20(26)24-13-17(25)19(14-24)27-18-9-5-7-15-6-4-8-16(15)18/h1,5,7,9,17,19,25H,3-4,6,8,10-14H2/t17-,19-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])[C@@]([H])(O[H])[C@]([H])(Oc3c([H])c([H])c([H])c4c3C([H])([H])C([H])([H])C4([H])[H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])(O[H])C([H])(Oc3c([H])c([H])c([H])c4c3C([H])([H])C([H])([H])C4([H])[H])C2([H])[H])N=N1 DHQAIPIFNVEZNN-IEBWSBKVSA-N . LDPC0462 C229 PAL-AfBPP Probe 146152580 Z4225926264 327.4 C18H21N3O3 72.3 533 2.4 24 1 5 7 InChI=1S/C18H21N3O3/c1-3-4-7-18(20-21-18)8-9-19-17(22)14-10-13-11-15(23-2)5-6-16(13)24-12-14/h1,5-6,11,14H,4,7-10,12H2,2H3,(H,19,22) COC1=CC2=C(C=C1)OCC(C2)C(=O)NCCC3(N=N3)CCC#C COC1=CC2=C(C=C1)OCC(C2)C(=O)NCCC3(N=N3)CCC#C OWOWVWFPQZENAI-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide LDPC0463 C230 PAL-AfBPP Probe 146149770 Z3426180920 341.4 C15H23N3O4S 106 580 0.5 23 1 6 9 InChI=1S/C15H23N3O4S/c1-2-3-7-15(17-18-15)8-4-14(19)16-9-10-22-13-5-11-23(20,21)12-6-13/h1,13H,3-12H2,(H,16,19) C#CCCC1(N=N1)CCC(=O)NCCOC2CCS(=O)(=O)CC2 C#CCCC1(N=N1)CCC(=O)NCCOC2CCS(=O)(=O)CC2 BFBLAXISCNUNGB-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(1,1-dioxothian-4-yl)oxyethyl]propanamide LDPC0464 C231 PAL-AfBPP Probe 146152911 Z4282859782 347.5 C20H33N3O2 74 534 3.7 25 2 4 9 InChI=1S/C20H33N3O2/c1-5-6-12-20(22-23-20)13-11-18(24)21-14-19(4,25)17-9-7-16(8-10-17)15(2)3/h1,15-17,25H,6-14H2,2-4H3,(H,21,24) CC(C)C1CCC(CC1)C(C)(CNC(=O)CCC2(N=N2)CCC#C)O CC(C)C1CCC(CC1)C(C)(CNC(=O)CCC2(N=N2)CCC#C)O ABBUKZXNNXAJSJ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-hydroxy-2-(4-propan-2-ylcyclohexyl)propyl]propanamide LDPC0465 C232 PAL-AfBPP Probe 146153070 Z4286591586 405.5 C21H19N5O2S 112 867 3.4 29 1 6 8 InChI=1S/C21H19N5O2S/c1-2-3-9-21(24-25-21)10-11-22-18(27)17-13-23-20-26(19(17)28)14-16(29-20)12-15-7-5-4-6-8-15/h1,4-8,13-14H,3,9-12H2,(H,22,27) C#CCCC1(N=N1)CCNC(=O)C2=CN=C3N(C2=O)C=C(S3)CC4=CC=CC=C4 C#CCCC1(N=N1)CCNC(=O)C2=CN=C3N(C2=O)C=C(S3)CC4=CC=CC=C4 HTSBUIHAOFSTHM-UHFFFAOYSA-N 2-benzyl-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide LDPC0466 C233 PAL-AfBPP Probe . . 325.412 C19H23N3O2 63.05 325.179027 3.5429 24 1 4 9 InChI=1S/C19H23N3O2/c1-4-5-9-19(21-22-19)10-8-18(23)20-12-15-6-7-17-16(11-15)13(2)14(3)24-17/h1,6-7,11,13-14H,5,8-10,12H2,2-3H3,(H,20,23)/t13-,14-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2c([H])c([H])c3c(c2[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])O3)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2c([H])c([H])c3c(c2[H])C([H])(C([H])([H])[H])C([H])(C([H])([H])[H])O3)N=N1 GEFOLMAVCDXJEY-ZIAGYGMSSA-N . LDPC0467 C234 PAL-AfBPP Probe 146152613 Z4225950059 299.37 C16H21N5O 82.5 502 1.9 22 2 4 6 InChI=1S/C16H21N5O/c1-3-4-5-16(20-21-16)6-7-17-15(22)13-9-11(2)8-12-10-18-19-14(12)13/h1,10-11,13H,4-9H2,2H3,(H,17,22)(H,18,19) CC1CC(C2=C(C1)C=NN2)C(=O)NCCC3(N=N3)CCC#C CC1CC(C2=C(C1)C=NN2)C(=O)NCCC3(N=N3)CCC#C NUTPOIZJJINYOS-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide LDPC0468 C235 PAL-AfBPP Probe 167990514 Z3410167189 377.3 C18H14F3N3O3 80.1 729 2.8 27 1 8 6 InChI=1S/C18H14F3N3O3/c1-2-3-7-17(23-24-17)8-6-16(26)22-11-4-5-14-12(9-11)13(25)10-15(27-14)18(19,20)21/h1,4-5,9-10H,3,6-8H2,(H,22,26) C#CCCC1(N=N1)CCC(=O)NC2=CC3=C(C=C2)OC(=CC3=O)C(F)(F)F C#CCCC1(N=N1)CCC(=O)NC2=CC3=C(C=C2)OC(=CC3=O)C(F)(F)F YMFSMLQCGIHFDY-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]propanamide LDPC0469 C236 PAL-AfBPP Probe 146152954 Z4282860059 392.5 C17H24N6O3S 128 732 0.4 27 2 7 8 InChI=1S/C17H24N6O3S/c1-3-4-8-17(21-22-17)9-7-15(24)23-10-5-6-13(12-23)16-14(11-18-19-16)20-27(2,25)26/h1,11,13,20H,4-10,12H2,2H3,(H,18,19) CS(=O)(=O)NC1=C(NN=C1)C2CCCN(C2)C(=O)CCC3(N=N3)CCC#C CS(=O)(=O)NC1=C(NN=C1)C2CCCN(C2)C(=O)CCC3(N=N3)CCC#C LLBHXEZVEPDTIL-UHFFFAOYSA-N N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]methanesulfonamide LDPC0470 C237 PAL-AfBPP Probe 146152991 Z4282860624 290.4 C16H26N4O 48.3 446 1.9 21 0 4 6 InChI=1S/C16H26N4O/c1-5-7-9-16(17-18-16)10-8-15(21)19-11-13(3)20(6-2)14(4)12-19/h1,13-14H,6-12H2,2-4H3/t13-,14+ CCN1[C@@H](CN(C[C@@H]1C)C(=O)CCC2(N=N2)CCC#C)C CCN1C(CN(CC1C)C(=O)CCC2(N=N2)CCC#C)C SWRLMSHQKWGLSO-OKILXGFUSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[(3S,5R)-4-ethyl-3,5-dimethylpiperazin-1-yl]propan-1-one LDPC0471 C238 PAL-AfBPP Probe 154879074 Z3337872721 403.5 C23H22FN5O 71.6 674 3.5 30 1 5 9 InChI=1S/C23H22FN5O/c1-2-3-13-23(27-28-23)14-12-22(30)26-20(17-8-10-18(24)11-9-17)15-29-16-25-19-6-4-5-7-21(19)29/h1,4-11,16,20H,3,12-15H2,(H,26,30) C#CCCC1(N=N1)CCC(=O)NC(CN2C=NC3=CC=CC=C32)C4=CC=C(C=C4)F C#CCCC1(N=N1)CCC(=O)NC(CN2C=NC3=CC=CC=C32)C4=CC=C(C=C4)F CUOAEBZOOHGVAM-UHFFFAOYSA-N N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(3-but-3-ynyldiazirin-3-yl)propanamide LDPC0472 C239 PAL-AfBPP Probe . . 312.329 C16H16N4O3 88.96 312.1222404 2.4257 23 1 6 7 InChI=1S/C16H16N4O3/c1-3-4-9-16(18-19-16)10-8-13(21)17-11-6-5-7-12-14(11)23-15(22)20(12)2/h1,5-7H,4,8-10H2,2H3,(H,17,21) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c([H])c3c2oc(=O)n3C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c([H])c3c2oc(=O)n3C([H])([H])[H])N=N1 TWLMFRNWTKWMSU-UHFFFAOYSA-N . LDPC0473 C240 PAL-AfBPP Probe 167860783 Z4282859734 327.3 C15H16F3N3O2 67 504 2.6 23 1 7 8 InChI=1S/C15H16F3N3O2/c1-2-3-6-14(20-21-14)7-4-13(22)19-8-5-12-9-11(10-23-12)15(16,17)18/h1,9-10H,3-8H2,(H,19,22) C#CCCC1(N=N1)CCC(=O)NCCC2=CC(=CO2)C(F)(F)F C#CCCC1(N=N1)CCC(=O)NCCC2=CC(=CO2)C(F)(F)F WBICFYQWTNQDAV-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]propanamide LDPC0474 C241 PAL-AfBPP Probe 146152893 . 328.416 C18H24N4O2 74.13 328.189926 2.1459 24 1 4 7 InChI=1S/C18H24N4O2/c1-2-3-8-18(20-21-18)9-7-14(23)19-16-11-17(12-16,13-16)22-10-5-4-6-15(22)24/h1H,3-13H2,(H,19,23) C#CCCC1(CCC(=O)NC23CC(N4CCCCC4=O)(C2)C3)N=N1 C#CCCC1(CCC(=O)NC23CC(N4CCCCC4=O)(C2)C3)N=N1 PMYMGCWMOZQPTG-UHFFFAOYSA-N . LDPC0475 C242 PAL-AfBPP Probe 167765655 Z4282860578 353.34 C16H18F3N5O 62.8 605 1.5 25 0 7 5 InChI=1S/C16H18F3N5O/c1-3-4-6-15(21-22-15)7-5-13(25)24-9-8-23-10-12(16(17,18)19)20-14(23)11(24)2/h1,10-11H,4-9H2,2H3 CC1C2=NC(=CN2CCN1C(=O)CCC3(N=N3)CCC#C)C(F)(F)F CC1C2=NC(=CN2CCN1C(=O)CCC3(N=N3)CCC#C)C(F)(F)F PLURKHOKOLMPHK-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one LDPC0476 C243 PAL-AfBPP Probe 146149764 Z3410166525 370.8 C19H19ClN4O2 79.8 633 3.4 26 1 5 7 InChI=1S/C19H19ClN4O2/c1-2-3-10-19(23-24-19)11-7-16(25)22-18(8-4-9-18)17-21-14-12-13(20)5-6-15(14)26-17/h1,5-6,12H,3-4,7-11H2,(H,22,25) C#CCCC1(N=N1)CCC(=O)NC2(CCC2)C3=NC4=C(O3)C=CC(=C4)Cl C#CCCC1(N=N1)CCC(=O)NC2(CCC2)C3=NC4=C(O3)C=CC(=C4)Cl PKOFRHGIGZBNMI-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(5-chloro-1,3-benzoxazol-2-yl)cyclobutyl]propanamide LDPC0477 C244 PAL-AfBPP Probe 146153061 Z4286591554 370.4 C18H19FN6O2 113 698 1.5 27 2 7 8 InChI=1S/C18H19FN6O2/c1-2-3-8-18(23-24-18)9-10-21-17(27)14-11-15(16(20)26)25(22-14)13-6-4-12(19)5-7-13/h1,4-7,15H,3,8-11H2,(H2,20,26)(H,21,27) C#CCCC1(N=N1)CCNC(=O)C2=NN(C(C2)C(=O)N)C3=CC=C(C=C3)F C#CCCC1(N=N1)CCNC(=O)C2=NN(C(C2)C(=O)N)C3=CC=C(C=C3)F XSQZNOAEQNKJEV-UHFFFAOYSA-N 5-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide LDPC0478 C245 PAL-AfBPP Probe 146149759 Z4282860718 331.4 C21H21N3O 53.8 583 3.9 25 1 3 6 InChI=1S/C21H21N3O/c1-2-3-13-21(23-24-21)14-12-19(25)22-18-11-10-16-7-4-6-15-8-5-9-17(18)20(15)16/h1,4-9,18H,3,10-14H2,(H,22,25) C#CCCC1(N=N1)CCC(=O)NC2CCC3=CC=CC4=C3C2=CC=C4 C#CCCC1(N=N1)CCC(=O)NC2CCC3=CC=CC4=C3C2=CC=C4 LERJIORYNFAGAI-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(2,3-dihydro-1H-phenalen-1-yl)propanamide LDPC0479 C246 PAL-AfBPP Probe 146152913 . 327.815 C18H18ClN3O 53.82 327.1138399 3.45 23 1 3 6 InChI=1S/C18H18ClN3O/c1-2-3-7-18(21-22-18)8-6-15(23)20-17-14-10-11-9-12(19)4-5-13(11)16(14)17/h1,4-5,9,14,16-17H,3,6-8,10H2,(H,20,23)/t14-,16+,17+/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@@]2([H])[C@]3([H])c4c([H])c([H])c(Cl)c([H])c4C([H])([H])[C@@]32[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C3([H])c4c([H])c([H])c(Cl)c([H])c4C([H])([H])C32[H])N=N1 LGKWSGMONMTSKB-USXIJHARSA-N . LDPC0480 C247 PAL-AfBPP Probe 146142383 Z3066853377 330.31 C14H17F3N4O2 74.1 558 1.1 23 1 7 7 InChI=1S/C14H17F3N4O2/c1-2-3-5-13(19-20-13)6-4-11(22)18-10-7-12(23)21(8-10)9-14(15,16)17/h1,10H,3-9H2,(H,18,22) C#CCCC1(N=N1)CCC(=O)NC2CC(=O)N(C2)CC(F)(F)F C#CCCC1(N=N1)CCC(=O)NC2CC(=O)N(C2)CC(F)(F)F DMRCPOBYUQIMFL-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide LDPC0481 C248 PAL-AfBPP Probe . . 321.421 C17H27N3O3 83.28 321.2052417 2.0244 23 2 5 13 InChI=1S/C17H27N3O3/c1-5-7-9-17(19-20-17)10-8-14(21)18-12-16(22)11-13(23-6-2)15(16,3)4/h1,13,22H,6-12H2,2-4H3,(H,18,21)/t13-,16-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])[C@@]2(O[H])C([H])([H])[C@]([H])(OC([H])([H])C([H])([H])[H])C2(C([H])([H])[H])C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C2(O[H])C([H])([H])C([H])(OC([H])([H])C([H])([H])[H])C2(C([H])([H])[H])C([H])([H])[H])N=N1 UCSIZNKRAYUSBJ-BBRMVZONSA-N . LDPC0482 C249 PAL-AfBPP Probe 146149810 Z3433404827 339.4 C18H18FN5O 79.6 579 2.6 25 1 6 6 InChI=1S/C18H18FN5O/c1-4-5-6-18(23-24-18)7-8-20-17(25)14-9-13(19)10-15-16(14)22-12(3)11(2)21-15/h1,9-10H,5-8H2,2-3H3,(H,20,25) CC1=NC2=CC(=CC(=C2N=C1C)C(=O)NCCC3(N=N3)CCC#C)F CC1=NC2=CC(=CC(=C2N=C1C)C(=O)NCCC3(N=N3)CCC#C)F QXVMCYOIWCYPNP-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-7-fluoro-2,3-dimethylquinoxaline-5-carboxamide LDPC0483 C250 PAL-AfBPP Probe 146152884 Z4282859653 350.4 C17H26N4O4 95.8 566 -0.8 25 2 7 8 InChI=1S/C17H26N4O4/c1-2-3-5-17(19-20-17)6-4-15(23)18-11-16(12-22)13-25-10-14-9-24-8-7-21(14)16/h1,14,22H,3-13H2,(H,18,23) C#CCCC1(N=N1)CCC(=O)NCC2(COCC3N2CCOC3)CO C#CCCC1(N=N1)CCC(=O)NCC2(COCC3N2CCOC3)CO AJUJEHWNVIYPDY-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[[4-(hydroxymethyl)-1,3,6,7,9,9a-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-yl]methyl]propanamide LDPC0484 C251 PAL-AfBPP Probe 146149831 . 371.828 C18H18ClN5O2 86.49 371.1149025 2.9046 26 1 5 8 InChI=1S/C18H18ClN5O2/c1-2-3-7-18(22-23-18)8-9-20-16(25)11-14-12-17(26)24(21-14)15-6-4-5-13(19)10-15/h1,4-6,10H,3,7-9,11-12H2,(H,20,25) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C2=NN(c3c([H])c([H])c([H])c(Cl)c3[H])C(=O)C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C2=NN(c3c([H])c([H])c([H])c(Cl)c3[H])C(=O)C2([H])[H])N=N1 CHDYGOUERCWXQJ-UHFFFAOYSA-N . LDPC0485 C252 PAL-AfBPP Probe 146152882 Z4282859620 405.5 C21H23N7O2 110 699 2.8 30 2 6 9 InChI=1S/C21H23N7O2/c1-4-5-10-21(26-27-21)11-9-17(29)22-19-18-14(2)25-28(20(18)24-23-19)13-15-7-6-8-16(12-15)30-3/h1,6-8,12H,5,9-11,13H2,2-3H3,(H2,22,23,24,29) CC1=NN(C2=NNC(=C12)NC(=O)CCC3(N=N3)CCC#C)CC4=CC(=CC=C4)OC CC1=NN(C2=NNC(=C12)NC(=O)CCC3(N=N3)CCC#C)CC4=CC(=CC=C4)OC XEPHGTPSPCLMBO-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[6-[(3-methoxyphenyl)methyl]-4-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl]propanamide LDPC0486 C253 PAL-AfBPP Probe 154884281 Z3337872989 342.42 C14H22N4O4S 109 590 -0.4 23 1 7 9 InChI=1S/C14H22N4O4S/c1-2-3-5-14(16-17-14)6-4-13(19)15-7-12-23(20,21)18-8-10-22-11-9-18/h1H,3-12H2,(H,15,19) C#CCCC1(N=N1)CCC(=O)NCCS(=O)(=O)N2CCOCC2 C#CCCC1(N=N1)CCC(=O)NCCS(=O)(=O)N2CCOCC2 KHDAVPPBAOUQTQ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(2-morpholin-4-ylsulfonylethyl)propanamide LDPC0487 C254 PAL-AfBPP Probe . . 323.418 C15H21N3O3S 79.17 323.1303625 1.3777 22 0 5 7 InChI=1S/C15H21N3O3S/c1-3-4-6-15(16-17-15)7-5-13(19)18-10-14(11-18)8-12(9-14)22(2,20)21/h1,12H,4-11H2,2H3 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C3(C2([H])[H])C([H])([H])C([H])(S(=O)(=O)C([H])([H])[H])C3([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C3(C2([H])[H])C([H])([H])C([H])(S(=O)(=O)C([H])([H])[H])C3([H])[H])N=N1 BZZYLLCFCPJPCC-UHFFFAOYSA-N . LDPC0488 C255 PAL-AfBPP Probe 146152897 . 336.417 C15H20N4O3S 85.17 336.1256115 2.6932 23 1 7 12 InChI=1S/C15H20N4O3S/c1-5-6-8-15(18-19-15)9-7-11(20)16-10(2)12-13(21-3)17-23-14(12)22-4/h1,10H,6-9H2,2-4H3,(H,16,20)/t10-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(c2c(OC([H])([H])[H])nsc2OC([H])([H])[H])C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])(c2c(OC([H])([H])[H])nsc2OC([H])([H])[H])C([H])([H])[H])N=N1 LZZJPWJCGVZGOE-JTQLQIEISA-N . LDPC0489 C256 PAL-AfBPP Probe 146149845 . 324.406 C14H20N4O3S 91.2 324.1256115 0.4922 22 1 5 6 InChI=1S/C14H20N4O3S/c1-2-3-6-14(16-17-14)7-8-15-13(19)12-11-4-9-18(10-5-11)22(12,20)21/h1,11-12H,3-10H2,(H,15,19) C#CCCC1(CCNC(=O)C2C3CCN(CC3)S2(=O)=O)N=N1 C#CCCC1(CCNC(=O)C2C3CCN(CC3)S2(=O)=O)N=N1 ZNLKISUQWBXZQW-UHFFFAOYSA-N . LDPC0490 C257 PAL-AfBPP Probe 167762985 Z4282859747 350.4 C18H18N6O2 115 618 1.4 26 2 5 8 InChI=1S/C18H18N6O2/c1-2-3-10-18(22-23-18)11-8-16(25)20-13-6-4-5-7-15(13)24-12-9-14(21-24)17(19)26/h1,4-7,9,12H,3,8,10-11H2,(H2,19,26)(H,20,25) C#CCCC1(N=N1)CCC(=O)NC2=CC=CC=C2N3C=CC(=N3)C(=O)N C#CCCC1(N=N1)CCC(=O)NC2=CC=CC=C2N3C=CC(=N3)C(=O)N NUPUEKGCMLKVRW-UHFFFAOYSA-N 1-[2-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]phenyl]pyrazole-3-carboxamide LDPC0491 C258 PAL-AfBPP Probe 132393053 AKOS034064094;Z2866906646 292.28 C14H14F2N4O 66.7 451 1.8 21 1 6 7 InChI=1S/C14H14F2N4O/c1-2-3-7-14(19-20-14)8-6-12(21)18-10-4-5-11(13(15)16)17-9-10/h1,4-5,9,13H,3,6-8H2,(H,18,21) C#CCCC1(N=N1)CCC(=O)NC2=CN=C(C=C2)C(F)F C#CCCC1(N=N1)CCC(=O)NC2=CN=C(C=C2)C(F)F UEROJXHERBLWKU-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[6-(difluoromethyl)pyridin-3-yl]propanamide LDPC0492 C260 PAL-AfBPP Probe 146149838 Z3433407567 353.8 C15H16ClN3O3S 96.3 612 2.3 23 1 5 8 InChI=1S/C15H16ClN3O3S/c1-2-3-8-15(18-19-15)9-10-17-14(20)11-23(21,22)13-7-5-4-6-12(13)16/h1,4-7H,3,8-11H2,(H,17,20) C#CCCC1(N=N1)CCNC(=O)CS(=O)(=O)C2=CC=CC=C2Cl C#CCCC1(N=N1)CCNC(=O)CS(=O)(=O)C2=CC=CC=C2Cl OXKOJDHECRKWCW-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(2-chlorophenyl)sulfonylacetamide LDPC0493 C261 PAL-AfBPP Probe 132391327 AKOS034129662;Z3026367275 348.4 C18H22F2N4O 57.1 526 2.4 25 1 6 9 InChI=1S/C18H22F2N4O/c1-4-5-10-18(22-23-18)11-9-16(25)21-12-15(24(2)3)17-13(19)7-6-8-14(17)20/h1,6-8,15H,5,9-12H2,2-3H3,(H,21,25) CN(C)C(CNC(=O)CCC1(N=N1)CCC#C)C2=C(C=CC=C2F)F CN(C)C(CNC(=O)CCC1(N=N1)CCC#C)C2=C(C=CC=C2F)F GYSQFWSUKQWSQC-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]propanamide LDPC0494 C262 PAL-AfBPP Probe 146152589 Z4225934402 362.4 C18H20F2N4O2 82.9 608 2.8 26 2 6 8 InChI=1S/C18H20F2N4O2/c1-4-5-6-18(23-24-18)7-8-21-17(26)12-9-15(14(20)10-13(12)19)22-16(25)11(2)3/h1,9-11H,5-8H2,2-3H3,(H,21,26)(H,22,25) CC(C)C(=O)NC1=C(C=C(C(=C1)C(=O)NCCC2(N=N2)CCC#C)F)F CC(C)C(=O)NC1=C(C=C(C(=C1)C(=O)NCCC2(N=N2)CCC#C)F)F QFLRAFUNEZEXAB-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2,4-difluoro-5-(2-methylpropanoylamino)benzamide LDPC0495 C264 PAL-AfBPP Probe 146152922 . 348.406 C20H20N4O2 75.94 348.1586259 3.9548 26 1 5 9 InChI=1S/C20H20N4O2/c1-2-3-12-20(23-24-20)13-11-18(25)22-17-10-7-14-21-19(17)26-15-16-8-5-4-6-9-16/h1,4-10,14H,3,11-13,15H2,(H,22,25) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c(OC([H])([H])c3c([H])c([H])c([H])c([H])c3[H])nc([H])c([H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c(OC([H])([H])c3c([H])c([H])c([H])c([H])c3[H])nc([H])c([H])c2[H])N=N1 WCHXCTVJGQGMTI-UHFFFAOYSA-N . LDPC0496 C265 PAL-AfBPP Probe 146152989 Z4282860559 429 C17H21ClN4O3S2 119 737 2.8 27 0 7 7 InChI=1S/C17H21ClN4O3S2/c1-2-3-8-17(19-20-17)9-7-15(23)21-10-4-11-22(13-12-21)27(24,25)16-6-5-14(18)26-16/h1,5-6H,3-4,7-13H2 C#CCCC1(N=N1)CCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl C#CCCC1(N=N1)CCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl ILSKXQQUCNDKPD-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]propan-1-one LDPC0497 C266 PAL-AfBPP Probe 166410052 Z3433407863 335.4 C19H21N5O 71.1 598 3.3 25 1 4 7 InChI=1S/C19H21N5O/c1-3-4-9-19(22-23-19)10-11-20-18(25)16-8-7-15-12-21-17(14-5-6-14)24(15)13(16)2/h1,7-8,12,14H,4-6,9-11H2,2H3,(H,20,25) CC1=C(C=CC2=CN=C(N12)C3CC3)C(=O)NCCC4(N=N4)CCC#C CC1=C(C=CC2=CN=C(N12)C3CC3)C(=O)NCCC4(N=N4)CCC#C RYGGBBVEQZQBSH-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-cyclopropyl-5-methylimidazo[1,5-a]pyridine-6-carboxamide LDPC0498 C268 PAL-AfBPP Probe 146149765 Z4286347518 334.4 C15H18N4O3S 111 758 -0.4 23 0 6 5 InChI=1S/C15H18N4O3S/c1-2-3-5-15(17-18-15)6-4-13(20)19-7-12-8-23(21,22)11-14(12,9-16)10-19/h1,12H,3-8,10-11H2/t12-,14-/m1/s1 C#CCCC1(N=N1)CCC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C2)C#N C#CCCC1(N=N1)CCC(=O)N2CC3CS(=O)(=O)CC3(C2)C#N SUASILONLXKTLF-TZMCWYRMSA-N (3aR,6aR)-5-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-2,2-dioxo-3,4,6,6a-tetrahydro-1H-thieno[3,4-c]pyrrole-3a-carbonitrile LDPC0499 C269 PAL-AfBPP Probe 146149844 Z3433408099 357.4 C16H19N7OS 137 566 2.7 25 2 7 8 InChI=1S/C16H19N7OS/c1-4-5-6-16(22-23-16)7-8-17-14(24)12-11(10(2)3)20-15(25-12)13-18-9-19-21-13/h1,9-10H,5-8H2,2-3H3,(H,17,24)(H,18,19,21) CC(C)C1=C(SC(=N1)C2=NC=NN2)C(=O)NCCC3(N=N3)CCC#C CC(C)C1=C(SC(=N1)C2=NC=NN2)C(=O)NCCC3(N=N3)CCC#C FUIARXIAAVIRJA-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide LDPC0500 C270 PAL-AfBPP Probe . . 367.497 C21H29N5O 70.81 367.2372105 3.6957 27 0 5 7 InChI=1S/C21H29N5O/c1-5-6-10-21(24-25-21)12-8-19(27)26-13-9-17-16(15-26)14-22-18(23-17)7-11-20(2,3)4/h1,14H,6-13,15H2,2-4H3 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])c3c([H])nc(C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])nc3C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])c3c([H])nc(C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])nc3C([H])([H])C2([H])[H])N=N1 KEZLPFGNZREQCY-UHFFFAOYSA-N . LDPC0501 C271 PAL-AfBPP Probe 146137916 Z2866902784 389.5 C18H23N5O3S 114 771 0.9 27 1 6 8 InChI=1S/C18H23N5O3S/c1-2-3-8-18(21-22-18)9-6-17(24)19-16-11-15(13-4-5-13)20-23(16)14-7-10-27(25,26)12-14/h1,11,13-14H,3-10,12H2,(H,19,24) C#CCCC1(N=N1)CCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C4CC4 C#CCCC1(N=N1)CCC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C4CC4 YHQAGIVNOYGWCY-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[5-cyclopropyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]propanamide LDPC0502 C272 PAL-AfBPP Probe 146153048 Z4286591358 323.35 C17H17N5O2 107 603 2 24 2 5 8 InChI=1S/C17H17N5O2/c1-2-3-9-17(21-22-17)10-12-19-16(24)13-6-4-5-7-14(13)20-15(23)8-11-18/h1,4-7H,3,8-10,12H2,(H,19,24)(H,20,23) C#CCCC1(N=N1)CCNC(=O)C2=CC=CC=C2NC(=O)CC#N C#CCCC1(N=N1)CCNC(=O)C2=CC=CC=C2NC(=O)CC#N WCMACKQNFQATLY-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[(2-cyanoacetyl)amino]benzamide LDPC0503 C273 PAL-AfBPP Probe 146152650 Z4225968259 341.29 C14H14F3N5O2 92.7 579 1.8 24 1 9 7 InChI=1S/C14H14F3N5O2/c1-2-3-4-13(21-22-13)5-6-18-10(23)8-7-9(8)11-19-12(20-24-11)14(15,16)17/h1,8-9H,3-7H2,(H,18,23)/t8-,9+/m0/s1 C#CCCC1(N=N1)CCNC(=O)[C@H]2C[C@H]2C3=NC(=NO3)C(F)(F)F C#CCCC1(N=N1)CCNC(=O)C2CC2C3=NC(=NO3)C(F)(F)F GQMRBMUMVMUCMV-DTWKUNHWSA-N (1S,2R)-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxamide LDPC0504 C274 PAL-AfBPP Probe 146153063 Z4286591559 366.4 C19H22N6O2 101 741 1.1 27 2 5 8 InChI=1S/C19H22N6O2/c1-3-5-8-19(23-24-19)9-10-20-18(27)13-11-14(26)21-17-15(13)16(12-6-7-12)25(4-2)22-17/h1,11-12H,4-10H2,2H3,(H,20,27)(H,21,22,26) CCN1C(=C2C(=CC(=O)NC2=N1)C(=O)NCCC3(N=N3)CCC#C)C4CC4 CCN1C(=C2C(=CC(=O)NC2=N1)C(=O)NCCC3(N=N3)CCC#C)C4CC4 VUMOBVLBQYBKEV-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-cyclopropyl-2-ethyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxamide LDPC0505 C275 PAL-AfBPP Probe 146152939 Z4282859948 361.4 C16H19N5O3S 112 684 0.9 25 2 7 8 InChI=1S/C16H19N5O3S/c1-2-3-9-16(19-20-16)10-8-15(22)17-11-12-21-14-7-5-4-6-13(14)18-25(21,23)24/h1,4-7,18H,3,8-12H2,(H,17,22) C#CCCC1(N=N1)CCC(=O)NCCN2C3=CC=CC=C3NS2(=O)=O C#CCCC1(N=N1)CCC(=O)NCCN2C3=CC=CC=C3NS2(=O)=O XGPQDLKBPLDZTP-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(2,2-dioxo-1H-2lambda6,1,3-benzothiadiazol-3-yl)ethyl]propanamide LDPC0506 C276 PAL-AfBPP Probe 167801814 Z4223056737 301.39 C16H23N5O 80.8 517 1.3 22 1 5 8 InChI=1S/C16H23N5O/c1-2-3-7-16(19-20-16)8-6-15(22)18-12-14-5-4-10-21(13-14)11-9-17/h1,14H,3-8,10-13H2,(H,18,22) C#CCCC1(N=N1)CCC(=O)NCC2CCCN(C2)CC#N C#CCCC1(N=N1)CCC(=O)NCC2CCCN(C2)CC#N OHBLUBUCQIIFMV-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[[1-(cyanomethyl)piperidin-3-yl]methyl]propanamide LDPC0507 C277 PAL-AfBPP Probe . . 313.445 C19H27N3O 45.03 313.2154125 3.7693 23 0 3 5 InChI=1S/C19H27N3O/c1-4-5-8-19(20-21-19)10-7-16(23)22-12-11-18-9-6-14(13-15(18)22)17(18,2)3/h1,14-15H,5-13H2,2-3H3 C#CCCC1(CCC(=O)N2CCC34CCC(CC23)C4(C)C)N=N1 C#CCCC1(CCC(=O)N2CCC34CCC(CC23)C4(C)C)N=N1 ADYJJXLCPAKEAF-UHFFFAOYSA-N . LDPC0508 C278 PAL-AfBPP Probe 146149767 Z4282860719 335.4 C20H21N3O2 63 635 3.3 25 1 4 6 InChI=1S/C20H21N3O2/c1-2-3-11-20(22-23-20)13-8-18(24)21-16-5-6-17-15(14-16)7-12-19(25-17)9-4-10-19/h1,5-7,12,14H,3-4,8-11,13H2,(H,21,24) C#CCCC1(N=N1)CCC(=O)NC2=CC3=C(C=C2)OC4(CCC4)C=C3 C#CCCC1(N=N1)CCC(=O)NC2=CC3=C(C=C2)OC4(CCC4)C=C3 BGOASFCQUSELCT-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-spiro[chromene-2,1'-cyclobutane]-6-ylpropanamide LDPC0509 C279 PAL-AfBPP Probe 146152981 Z4282860467 371.4 C19H25N5O3 92.3 658 0.5 27 1 6 5 InChI=1S/C19H25N5O3/c1-3-4-6-19(21-22-19)7-5-16(26)24-10-8-18(9-11-24)12-14(25)17-15(27-18)13-23(2)20-17/h1,13-14,25H,4-12H2,2H3 CN1C=C2C(=N1)C(CC3(O2)CCN(CC3)C(=O)CCC4(N=N4)CCC#C)O CN1C=C2C(=N1)C(CC3(O2)CCN(CC3)C(=O)CCC4(N=N4)CCC#C)O BRHBRZLHYAPZQU-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)propan-1-one LDPC0510 C280 PAL-AfBPP Probe . . 342.428 C16H18N6OS 75.74 342.1262802 2.6429 24 0 7 9 InChI=1S/C16H18N6OS/c1-3-4-7-16(19-20-16)8-6-14(23)21(2)12-13-11-17-15(24-13)22-10-5-9-18-22/h1,5,9-11H,4,6-8,12H2,2H3 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])c2sc(-n3nc([H])c([H])c3[H])nc2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])c2sc(-n3nc([H])c([H])c3[H])nc2[H])N=N1 SPCAJHQXRIKAGG-UHFFFAOYSA-N . LDPC0511 C281 PAL-AfBPP Probe 146149828 Z3433405896 302.37 C16H22N4O2 66.3 552 0.9 22 1 5 6 InChI=1S/C16H22N4O2/c1-2-3-4-16(18-19-16)5-6-17-14(21)13-10-20-9-12-7-15(20,8-12)11-22-13/h1,12-13H,3-11H2,(H,17,21) C#CCCC1(N=N1)CCNC(=O)C2CN3CC4CC3(C4)CO2 C#CCCC1(N=N1)CCNC(=O)C2CN3CC4CC3(C4)CO2 CRIOXLPYBOVUMY-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-oxa-6-azatricyclo[6.1.1.01,6]decane-4-carboxamide LDPC0512 C282 PAL-AfBPP Probe 146152937 Z4282859941 366.4 C20H19FN4O2 75.9 574 2.8 27 1 6 9 InChI=1S/C20H19FN4O2/c1-2-3-10-20(24-25-20)11-8-19(26)23-14-16-13-18(9-12-22-16)27-17-6-4-15(21)5-7-17/h1,4-7,9,12-13H,3,8,10-11,14H2,(H,23,26) C#CCCC1(N=N1)CCC(=O)NCC2=NC=CC(=C2)OC3=CC=C(C=C3)F C#CCCC1(N=N1)CCC(=O)NCC2=NC=CC(=C2)OC3=CC=C(C=C3)F ZLNBAUQBGOTOSE-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[[4-(4-fluorophenoxy)pyridin-2-yl]methyl]propanamide LDPC0513 C283 PAL-AfBPP Probe 146149754 Z3426208519 326.36 C15H18N8O 113 535 -0.1 24 2 6 8 InChI=1S/C15H18N8O/c1-3-4-7-15(20-21-15)8-5-13(24)16-10-11-14(19-22-18-11)12-6-9-17-23(12)2/h1,6,9H,4-5,7-8,10H2,2H3,(H,16,24)(H,18,19,22) CN1C(=CC=N1)C2=NNN=C2CNC(=O)CCC3(N=N3)CCC#C CN1C(=CC=N1)C2=NNN=C2CNC(=O)CCC3(N=N3)CCC#C YTSCPXLOZBVECC-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-2H-triazol-4-yl]methyl]propanamide LDPC0514 C284 PAL-AfBPP Probe 167760473 Z4286591537 363.4 C19H17N5OS 99.4 602 4.3 26 1 5 7 InChI=1S/C19H17N5OS/c1-2-3-9-19(22-23-19)10-11-20-17(25)16-15(14-7-5-4-6-8-14)21-18-24(16)12-13-26-18/h1,4-8,12-13H,3,9-11H2,(H,20,25) C#CCCC1(N=N1)CCNC(=O)C2=C(N=C3N2C=CS3)C4=CC=CC=C4 C#CCCC1(N=N1)CCNC(=O)C2=C(N=C3N2C=CS3)C4=CC=CC=C4 BGQSGLSTFYSAHH-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxamide LDPC0515 C285 PAL-AfBPP Probe . . 338.411 C19H22N4O2 82.92 338.1742759 3.2751 25 2 4 9 InChI=1S/C19H22N4O2/c1-4-5-9-19(22-23-19)10-8-16(24)21-17-14-11-13(12(2)3)6-7-15(14)20-18(17)25/h1,6-7,11-12,17H,5,8-10H2,2-3H3,(H,20,25)(H,21,24)/t17-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]2([H])C(=O)N([H])c3c([H])c([H])c(C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c32)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C(=O)N([H])c3c([H])c([H])c(C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c32)N=N1 LOXAMVKDCZIJHS-KRWDZBQOSA-N . LDPC0516 C286 PAL-AfBPP Probe 146149781 Z4282860726 369.5 C21H27N3O3 74.5 583 2.4 27 1 5 8 InChI=1S/C21H27N3O3/c1-3-4-11-21(22-23-21)12-8-19(25)24-13-9-16(10-14-24)20(26)17-6-5-7-18(15-17)27-2/h1,5-7,15-16,20,26H,4,8-14H2,2H3 COC1=CC=CC(=C1)C(C2CCN(CC2)C(=O)CCC3(N=N3)CCC#C)O COC1=CC=CC(=C1)C(C2CCN(CC2)C(=O)CCC3(N=N3)CCC#C)O LICSMZYROYTHSV-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one LDPC0517 C287 PAL-AfBPP Probe 167918438 Z4282859674 350.29 C16H13F3N4O2 79.8 592 3 25 1 8 6 InChI=1S/C16H13F3N4O2/c1-2-3-8-15(22-23-15)9-7-12(24)20-10-5-4-6-11-13(10)21-14(25-11)16(17,18)19/h1,4-6H,3,7-9H2,(H,20,24) C#CCCC1(N=N1)CCC(=O)NC2=C3C(=CC=C2)OC(=N3)C(F)(F)F C#CCCC1(N=N1)CCC(=O)NC2=C3C(=CC=C2)OC(=N3)C(F)(F)F RPKNQDLDXPFURX-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide LDPC0518 C288 PAL-AfBPP Probe 146153044 . 337.423 C20H23N3O2 63.05 337.179027 2.73332 25 1 4 7 InChI=1S/C20H23N3O2/c1-3-4-9-20(22-23-20)10-11-21-18(24)17-16-12-19(17,13-25-16)15-8-6-5-7-14(15)2/h1,5-8,16-17H,4,9-13H2,2H3,(H,21,24) C#CCCC1(CCNC(=O)C2C3CC2(c2ccccc2C)CO3)N=N1 C#CCCC1(CCNC(=O)C2C3CC2(c2ccccc2C)CO3)N=N1 HHWHSAVFEWRJJK-UHFFFAOYSA-N . LDPC0519 C289 PAL-AfBPP Probe 167835085 Z4282859911 349.4 C20H23N5O 82.5 560 3.5 26 2 4 9 InChI=1S/C20H23N5O/c1-3-4-12-20(24-25-20)13-11-19(26)21-18-14-17(22-23-18)10-9-16-8-6-5-7-15(16)2/h1,5-8,14H,4,9-13H2,2H3,(H2,21,22,23,26) CC1=CC=CC=C1CCC2=CC(=NN2)NC(=O)CCC3(N=N3)CCC#C CC1=CC=CC=C1CCC2=CC(=NN2)NC(=O)CCC3(N=N3)CCC#C WGYOQWDJXWBJGH-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]propanamide LDPC0520 C290 PAL-AfBPP Probe 146152886 Z4282859658 381.9 C17H20ClN3O3S 96.3 656 2.4 25 1 5 9 InChI=1S/C17H20ClN3O3S/c1-3-5-7-17(20-21-17)8-6-16(22)19-12-13-9-14(18)11-15(10-13)25(23,24)4-2/h1,9-11H,4-8,12H2,2H3,(H,19,22) CCS(=O)(=O)C1=CC(=CC(=C1)CNC(=O)CCC2(N=N2)CCC#C)Cl CCS(=O)(=O)C1=CC(=CC(=C1)CNC(=O)CCC2(N=N2)CCC#C)Cl BGQZTSPVRUSSIW-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[(3-chloro-5-ethylsulfonylphenyl)methyl]propanamide LDPC0521 C291 PAL-AfBPP Probe . . 313.379 C13H19N3O4S 108.19 313.1096271 0.0079 21 2 6 9 InChI=1S/C13H19N3O4S/c1-2-3-5-13(15-16-13)6-4-11(18)14-12(7-8-17)9-21(19,20)10-12/h1,17H,3-10H2,(H,14,18) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2(C([H])([H])C([H])([H])O[H])C([H])([H])S(=O)(=O)C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2(C([H])([H])C([H])([H])O[H])C([H])([H])S(=O)(=O)C2([H])[H])N=N1 MRHOGMPHRFGMNR-UHFFFAOYSA-N . LDPC0522 C292 PAL-AfBPP Probe 166409297 Z3337874266 407.5 C22H25N5O3 103 786 2 30 2 5 8 InChI=1S/C22H25N5O3/c1-2-3-12-22(25-26-22)13-9-18(28)23-15-16-7-6-8-17(14-16)27-19(29)21(24-20(27)30)10-4-5-11-21/h1,6-8,14H,3-5,9-13,15H2,(H,23,28)(H,24,30) C#CCCC1(N=N1)CCC(=O)NCC2=CC(=CC=C2)N3C(=O)C4(CCCC4)NC3=O C#CCCC1(N=N1)CCC(=O)NCC2=CC(=CC=C2)N3C(=O)C4(CCCC4)NC3=O XKQSDRWQQWNAOY-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]propanamide LDPC0523 C293 PAL-AfBPP Probe 146149766 Z3426140063 334.4 C20H22N4O 50 586 2.5 25 0 3 5 InChI=1S/C20H22N4O/c1-2-3-10-20(21-22-20)11-9-19(25)23-12-6-13-24-17(15-23)14-16-7-4-5-8-18(16)24/h1,4-5,7-8,14H,3,6,9-13,15H2 C#CCCC1(N=N1)CCC(=O)N2CCCN3C(=CC4=CC=CC=C43)C2 C#CCCC1(N=N1)CCC(=O)N2CCCN3C(=CC4=CC=CC=C43)C2 HYFKDPSFOCZWND-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-2-yl)propan-1-one LDPC0524 C294 PAL-AfBPP Probe 146152890 Z4282859676 397.5 C21H27N5O3 86.6 671 1.5 29 1 6 8 InChI=1S/C21H27N5O3/c1-4-5-9-21(23-24-21)10-8-19(27)22-17-15-16(6-7-18(17)29-3)20(28)26-13-11-25(2)12-14-26/h1,6-7,15H,5,8-14H2,2-3H3,(H,22,27) CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)CCC3(N=N3)CCC#C CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)CCC3(N=N3)CCC#C NEJXUCXQNUCZQV-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide LDPC0525 C295 PAL-AfBPP Probe 146152964 Z4282860197 343.4 C18H22N3O2P 62.1 583 1.4 24 0 4 6 InChI=1S/C18H22N3O2P/c1-2-3-10-18(19-20-18)11-9-17(22)21-12-14-24(23,15-13-21)16-7-5-4-6-8-16/h1,4-8H,3,9-15H2 C#CCCC1(N=N1)CCC(=O)N2CCP(=O)(CC2)C3=CC=CC=C3 C#CCCC1(N=N1)CCC(=O)N2CCP(=O)(CC2)C3=CC=CC=C3 QRKVPFMJSNYQAH-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(4-oxo-4-phenyl-1,4lambda5-azaphosphinan-1-yl)propan-1-one LDPC0526 C296 PAL-AfBPP Probe 146153060 . 338.415 C18H22N6O 84.01 338.1855093 2.85652 25 1 6 10 InChI=1S/C18H22N6O/c1-5-6-7-18(22-23-18)8-9-19-17(25)15-10-13(4)24-16(21-15)14(11-20-24)12(2)3/h1,10-12H,6-9H2,2-4H3,(H,19,25) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2nc3c(C([H])(C([H])([H])[H])C([H])([H])[H])c([H])nn3c(C([H])([H])[H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2nc3c(C([H])(C([H])([H])[H])C([H])([H])[H])c([H])nn3c(C([H])([H])[H])c2[H])N=N1 CTQSDHBBXYIAKA-UHFFFAOYSA-N . LDPC0527 C297 PAL-AfBPP Probe 146152585 Z4225931125 321.4 C18H19N5O 71.6 517 2 24 1 4 8 InChI=1S/C18H19N5O/c1-2-3-8-18(21-22-18)9-11-20-17(24)16-7-5-12-23(16)14-15-6-4-10-19-13-15/h1,4-7,10,12-13H,3,8-9,11,14H2,(H,20,24) C#CCCC1(N=N1)CCNC(=O)C2=CC=CN2CC3=CN=CC=C3 C#CCCC1(N=N1)CCNC(=O)C2=CC=CN2CC3=CN=CC=C3 CKRXAZGTCGLTPG-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide LDPC0528 C299 PAL-AfBPP Probe 146152604 Z4225944024 318.4 C16H22N4OS 95 476 3 22 1 5 8 InChI=1S/C16H22N4OS/c1-5-6-7-16(19-20-16)8-9-17-13(21)10-14-18-15(11(2)3)12(4)22-14/h1,11H,6-10H2,2-4H3,(H,17,21) CC1=C(N=C(S1)CC(=O)NCCC2(N=N2)CCC#C)C(C)C CC1=C(N=C(S1)CC(=O)NCCC2(N=N2)CCC#C)C(C)C WEYVHBQKMZYJIG-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetamide LDPC0529 C300 PAL-AfBPP Probe 146149829 Z3433405940 321.8 C15H20ClN5O 71.6 480 2.2 22 1 4 8 InChI=1S/C15H20ClN5O/c1-4-6-7-15(19-20-15)8-9-17-13(22)10-12-14(16)11(5-2)18-21(12)3/h1H,5-10H2,2-3H3,(H,17,22) CCC1=NN(C(=C1Cl)CC(=O)NCCC2(N=N2)CCC#C)C CCC1=NN(C(=C1Cl)CC(=O)NCCC2(N=N2)CCC#C)C OXBRGAZDPQBVCD-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)acetamide LDPC0530 C301 PAL-AfBPP Probe 146152921 . 313.283 C13H14F3N5O 82.5 313.1150447 2.485 22 2 4 7 InChI=1S/C13H14F3N5O/c1-2-3-6-12(20-21-12)7-4-10(22)18-11(13(14,15)16)9-5-8-17-19-9/h1,5,8,11H,3-4,6-7H2,(H,17,19)(H,18,22)/t11-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(c2c([H])c([H])nn2[H])C(F)(F)F)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])(c2c([H])c([H])nn2[H])C(F)(F)F)N=N1 NEJYKZBWYPWPFP-NSHDSACASA-N . LDPC0531 C302 PAL-AfBPP Probe . . 407.522 C22H29N7O 77.29 407.2433585 1.7148 30 0 7 7 InChI=1S/C22H29N7O/c1-3-4-7-22(25-26-22)8-5-21(30)28-9-6-19-16(13-28)10-20(24-23-19)29-14-17-11-27(2)12-18(17)15-29/h1,10,17-18H,4-9,11-15H2,2H3/t17-,18+ [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])c3c(nnc(N4C([H])([H])[C@@]5([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[C@@]5([H])C4([H])[H])c3[H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])c3c(nnc(N4C([H])([H])C5([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C5([H])C4([H])[H])c3[H])C([H])([H])C2([H])[H])N=N1 QEMKMQAEFVNXLE-HDICACEKSA-N . LDPC0532 C303 PAL-AfBPP Probe 146152972 Z4282860317 369.5 C20H27N5O2 79.1 659 1.7 27 1 4 7 InChI=1S/C20H27N5O2/c1-5-6-10-20(22-23-20)11-9-18(26)24-12-13-25-16(15(24)4)7-8-17(25)19(27)21-14(2)3/h1,7-8,14-15H,6,9-13H2,2-4H3,(H,21,27) CC1C2=CC=C(N2CCN1C(=O)CCC3(N=N3)CCC#C)C(=O)NC(C)C CC1C2=CC=C(N2CCN1C(=O)CCC3(N=N3)CCC#C)C(=O)NC(C)C JZKWAWSVXKSMBW-UHFFFAOYSA-N 2-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-1-methyl-N-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide LDPC0533 C304 PAL-AfBPP Probe 146152895 Z4282859693 371.4 C22H21N5O 71.1 639 4.1 28 1 4 7 InChI=1S/C22H21N5O/c1-3-4-12-22(25-26-22)13-11-20(28)23-18-9-7-17(8-10-18)19-15-27-14-5-6-16(2)21(27)24-19/h1,5-10,14-15H,4,11-13H2,2H3,(H,23,28) CC1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)NC(=O)CCC4(N=N4)CCC#C CC1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)NC(=O)CCC4(N=N4)CCC#C UCNAKOQBHDQNAN-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide LDPC0534 C305 PAL-AfBPP Probe 146149808 Z3433404609 343.8 C17H18ClN5O 71.1 550 4 24 1 4 7 InChI=1S/C17H18ClN5O/c1-3-5-8-17(21-22-17)9-10-19-16(24)15-13(4-2)20-14-7-6-12(18)11-23(14)15/h1,6-7,11H,4-5,8-10H2,2H3,(H,19,24) CCC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NCCC3(N=N3)CCC#C CCC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NCCC3(N=N3)CCC#C KVAPSEVFBBRDMB-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide LDPC0535 C307 PAL-AfBPP Probe 167856506 Z3426216171 331.33 C15H20F3N3O2 54.3 504 2.7 23 0 7 7 InChI=1S/C15H20F3N3O2/c1-2-3-7-14(19-20-14)8-6-13(22)21-9-4-5-12(10-21)11-23-15(16,17)18/h1,12H,3-11H2 C#CCCC1(N=N1)CCC(=O)N2CCCC(C2)COC(F)(F)F C#CCCC1(N=N1)CCC(=O)N2CCCC(C2)COC(F)(F)F STBZBOJNWKBGIO-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]propan-1-one LDPC0536 C309 PAL-AfBPP Probe 146149773 Z4286347439 347.4 C17H25N5O3 86.6 605 0.1 25 1 5 8 InChI=1S/C17H25N5O3/c1-3-4-7-17(19-20-17)8-5-15(23)21-9-6-14-13(12-21)18-16(24)22(14)10-11-25-2/h1,13-14H,4-12H2,2H3,(H,18,24)/t13-,14+/m0/s1 COCCN1[C@@H]2CCN(C[C@@H]2NC1=O)C(=O)CCC3(N=N3)CCC#C COCCN1C2CCN(CC2NC1=O)C(=O)CCC3(N=N3)CCC#C HMQUEDXEHVGKGO-UONOGXRCSA-N (3aS,7aR)-5-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-1-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one LDPC0537 C310 PAL-AfBPP Probe 146152930 . 421.467 C21H26F3N5O 60.3 421.2089451 3.4291 30 1 5 9 InChI=1S/C21H26F3N5O/c1-3-4-8-20(26-27-20)9-7-19(30)25-15-16-14-17(21(22,23)24)5-6-18(16)29-12-10-28(2)11-13-29/h1,5-6,14H,4,7-13,15H2,2H3,(H,25,30) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2c([H])c(C(F)(F)F)c([H])c([H])c2N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2c([H])c(C(F)(F)F)c([H])c([H])c2N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])N=N1 UAKVZCBTXDRHBP-UHFFFAOYSA-N . LDPC0538 C311 PAL-AfBPP Probe . . 363.439 C17H21N3O4S 92.31 363.1252772 2.24182 25 0 6 7 InChI=1S/C17H21N3O4S/c1-3-4-8-17(18-19-17)9-7-16(21)20-10-11-25(22,23)12-14(20)15-6-5-13(2)24-15/h1,5-6,14H,4,7-12H2,2H3/t14-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])[C@]2([H])c2oc(C([H])([H])[H])c([H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])c2oc(C([H])([H])[H])c([H])c2[H])N=N1 DHPYXPVNMPDEIZ-CQSZACIVSA-N . LDPC0539 C312 PAL-AfBPP Probe 146149745 Z3410163881 352.5 C16H24N4O3S 99.6 668 1.1 24 1 6 7 InChI=1S/C16H24N4O3S/c1-3-4-8-16(18-19-16)9-7-15(21)17-12-10-13-5-6-14(11-12)20(13)24(2,22)23/h1,12-14H,4-11H2,2H3,(H,17,21) CS(=O)(=O)N1C2CCC1CC(C2)NC(=O)CCC3(N=N3)CCC#C CS(=O)(=O)N1C2CCC1CC(C2)NC(=O)CCC3(N=N3)CCC#C UKQYEOUOPPRLSB-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide LDPC0540 C313 PAL-AfBPP Probe 146153058 . 338.371 C17H18N6O2 104.62 338.1491238 2.1757 25 2 6 9 InChI=1S/C17H18N6O2/c1-3-4-9-17(22-23-17)10-11-18-16(24)15-19-14(20-21-15)12-7-5-6-8-13(12)25-2/h1,5-8H,4,9-11H2,2H3,(H,18,24)(H,19,20,21) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2nnc(-c3c([H])c([H])c([H])c([H])c3OC([H])([H])[H])n2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2nnc(-c3c([H])c([H])c([H])c([H])c3OC([H])([H])[H])n2[H])N=N1 SZFCEIMNOKDNTG-UHFFFAOYSA-N . LDPC0541 C314 PAL-AfBPP Probe 146153056 . 356.817 C17H17ClN6O 84.01 356.1152368 2.9555 25 1 6 7 InChI=1S/C17H17ClN6O/c1-2-3-6-17(22-23-17)7-8-19-16(25)14-9-13(11-4-5-11)21-15-12(18)10-20-24(14)15/h1,9-11H,3-8H2,(H,19,25) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])c(C3([H])C([H])([H])C3([H])[H])nc3c(Cl)c([H])nn23)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])c(C3([H])C([H])([H])C3([H])[H])nc3c(Cl)c([H])nn23)N=N1 XQNRHZMDKOTYEK-UHFFFAOYSA-N . LDPC0542 C316 PAL-AfBPP Probe 167964083 Z4282860044 372.4 C18H24N6O3 105 626 0.5 27 1 8 8 InChI=1S/C18H24N6O3/c1-2-3-7-18(22-23-18)8-6-15(25)19-10-16-20-17(21-27-16)14-11-24-9-4-5-13(24)12-26-14/h1,13-14H,3-12H2,(H,19,25)/t13-,14+/m0/s1 C#CCCC1(N=N1)CCC(=O)NCC2=NC(=NO2)[C@H]3CN4CCC[C@H]4CO3 C#CCCC1(N=N1)CCC(=O)NCC2=NC(=NO2)C3CN4CCCC4CO3 IXUMFXPBXWRQPF-UONOGXRCSA-N N-[[3-[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-(3-but-3-ynyldiazirin-3-yl)propanamide LDPC0543 C317 PAL-AfBPP Probe 146152593 Z4225935356 340.4 C13H16N4O3S2 137 597 1.4 22 2 7 8 InChI=1S/C13H16N4O3S2/c1-3-4-5-13(16-17-13)6-7-15-12(18)11-8-10(9-21-11)22(19,20)14-2/h1,8-9,14H,4-7H2,2H3,(H,15,18) CNS(=O)(=O)C1=CSC(=C1)C(=O)NCCC2(N=N2)CCC#C CNS(=O)(=O)C1=CSC(=C1)C(=O)NCCC2(N=N2)CCC#C VZHFSPLSINUJHI-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(methylsulfamoyl)thiophene-2-carboxamide LDPC0544 C318 PAL-AfBPP Probe 166416723 Z4225954253 329.4 C16H23N7O 98.6 526 1.4 24 2 6 7 InChI=1S/C16H23N7O/c1-3-4-7-16(21-22-16)8-9-17-15(24)14-18-13(19-20-14)12-5-10-23(2)11-6-12/h1,12H,4-11H2,2H3,(H,17,24)(H,18,19,20) CN1CCC(CC1)C2=NC(=NN2)C(=O)NCCC3(N=N3)CCC#C CN1CCC(CC1)C2=NC(=NN2)C(=O)NCCC3(N=N3)CCC#C KQVOHBRUMICXSV-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-3-carboxamide LDPC0545 C319 PAL-AfBPP Probe 166409404 Z3397334531 327.4 C17H21N5O2 82.9 571 0.4 24 1 5 6 InChI=1S/C17H21N5O2/c1-2-3-6-17(20-21-17)7-4-15(23)22-9-12(10-22)16-13-11-24-8-5-14(13)18-19-16/h1,12H,3-11H2,(H,18,19) C#CCCC1(N=N1)CCC(=O)N2CC(C2)C3=NNC4=C3COCC4 C#CCCC1(N=N1)CCC(=O)N2CC(C2)C3=NNC4=C3COCC4 SEMZKIKVEBHLRT-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)azetidin-1-yl]propan-1-one LDPC0546 C320 PAL-AfBPP Probe 146149837 Z3433407529 336.4 C18H20N6O 84.5 555 2.2 25 1 5 7 InChI=1S/C18H20N6O/c1-4-5-7-18(22-23-18)8-11-19-16(25)15-12-13(2)24(14(15)3)17-20-9-6-10-21-17/h1,6,9-10,12H,5,7-8,11H2,2-3H3,(H,19,25) CC1=CC(=C(N1C2=NC=CC=N2)C)C(=O)NCCC3(N=N3)CCC#C CC1=CC(=C(N1C2=NC=CC=N2)C)C(=O)NCCC3(N=N3)CCC#C IONDCEDKRZCFIZ-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2,5-dimethyl-1-pyrimidin-2-ylpyrrole-3-carboxamide LDPC0547 C321 PAL-AfBPP Probe 146149750 . 358.32 C15H17F3N4O3 100.08 358.1252751 2.20482 25 2 6 10 InChI=1S/C15H17F3N4O3/c1-3-4-6-13(21-22-13)7-5-11(23)20-9-14(24,15(16,17)18)12-19-8-10(2)25-12/h1,8,24H,4-7,9H2,2H3,(H,20,23)/t14-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])[C@](O[H])(c2nc([H])c(C([H])([H])[H])o2)C(F)(F)F)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C(O[H])(c2nc([H])c(C([H])([H])[H])o2)C(F)(F)F)N=N1 PAGVNKYBZAQWAL-AWEZNQCLSA-N . LDPC0548 C322 PAL-AfBPP Probe 146153068 Z4286591579 403.9 C19H22ClN5O3 95.4 664 2 28 2 5 8 InChI=1S/C19H22ClN5O3/c1-3-4-7-19(23-24-19)8-9-21-17(26)13-11-25(12-13)18(27)22-15-10-14(20)5-6-16(15)28-2/h1,5-6,10,13H,4,7-9,11-12H2,2H3,(H,21,26)(H,22,27) COC1=C(C=C(C=C1)Cl)NC(=O)N2CC(C2)C(=O)NCCC3(N=N3)CCC#C COC1=C(C=C(C=C1)Cl)NC(=O)N2CC(C2)C(=O)NCCC3(N=N3)CCC#C LBQSMDYDTSDDHB-UHFFFAOYSA-N 3-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-N-(5-chloro-2-methoxyphenyl)azetidine-1,3-dicarboxamide LDPC0549 C323 PAL-AfBPP Probe . . 312.32 C14H18F2N4O2 96.91 312.1397823 1.3575 22 2 4 8 InChI=1S/C14H18F2N4O2/c1-2-3-5-14(19-20-14)6-4-10(21)18-13(12(17)22)7-9(8-13)11(15)16/h1,9,11H,3-8H2,(H2,17,22)(H,18,21)/t9-,13+ [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]2(C(=O)N([H])[H])C([H])([H])[C@]([H])(C([H])(F)F)C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2(C(=O)N([H])[H])C([H])([H])C([H])(C([H])(F)F)C2([H])[H])N=N1 MGYOGVJYMBLPJA-SWZMTVOYSA-N . LDPC0550 C326 PAL-AfBPP Probe 146153043 Z4286591177 363.32 C15H15F2N7O2 111 602 1 26 1 9 8 InChI=1S/C15H15F2N7O2/c1-3-4-5-15(21-22-15)6-7-18-14(25)10-11(9-8-24(2)23-19-9)20-26-12(10)13(16)17/h1,8,13H,4-7H2,2H3,(H,18,25) CN1C=C(N=N1)C2=NOC(=C2C(=O)NCCC3(N=N3)CCC#C)C(F)F CN1C=C(N=N1)C2=NOC(=C2C(=O)NCCC3(N=N3)CCC#C)C(F)F JIXMAYBGGSARCF-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(difluoromethyl)-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide LDPC0551 C327 PAL-AfBPP Probe 146152575 Z4225919582 342.4 C18H22N4O3 91.2 670 1.3 25 1 5 7 InChI=1S/C18H22N4O3/c1-3-4-9-18(20-21-18)10-11-19-15(23)12(2)22-16(24)13-7-5-6-8-14(13)17(22)25/h1,5-6,12-14H,4,7-11H2,2H3,(H,19,23) CC(C(=O)NCCC1(N=N1)CCC#C)N2C(=O)C3CC=CCC3C2=O CC(C(=O)NCCC1(N=N1)CCC#C)N2C(=O)C3CC=CCC3C2=O QBYQAGJOVQHEIW-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide LDPC0552 C328 PAL-AfBPP Probe 146153077 Z4286591626 405.5 C21H23N7O2 111 728 2.6 30 1 7 7 InChI=1S/C21H23N7O2/c1-6-7-8-21(26-27-21)9-10-22-19(29)15-11-12(2)23-20-17(15)18(25-30-20)16-13(3)24-28(5)14(16)4/h1,11H,7-10H2,2-5H3,(H,22,29) CC1=CC(=C2C(=NOC2=N1)C3=C(N(N=C3C)C)C)C(=O)NCCC4(N=N4)CCC#C CC1=CC(=C2C(=NOC2=N1)C3=C(N(N=C3C)C)C)C(=O)NCCC4(N=N4)CCC#C FLAPVVRHYVHNLV-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide LDPC0553 C329 PAL-AfBPP Probe 146149779 . 398.511 C21H30N6O2 86.18 398.2430242 2.3036 29 1 6 8 InChI=1S/C21H30N6O2/c1-2-3-7-21(24-25-21)8-6-19(28)27-9-4-5-17(16-27)20-18(14-22-23-20)15-26-10-12-29-13-11-26/h1,14,17H,3-13,15-16H2,(H,22,23)/t17-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@]([H])(c3c(C([H])([H])N4C([H])([H])C([H])([H])OC([H])([H])C4([H])[H])c([H])nn3[H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])(c3c(C([H])([H])N4C([H])([H])C([H])([H])OC([H])([H])C4([H])[H])c([H])nn3[H])C2([H])[H])N=N1 KCLHRHARRLDKCE-KRWDZBQOSA-N . LDPC0554 C331 PAL-AfBPP Probe 146152987 Z4282860534 347.4 C17H25N5O3 101 611 -0.5 25 1 6 7 InChI=1S/C17H25N5O3/c1-2-3-5-17(19-20-17)6-4-14(23)21-8-10-22(11-9-21)16(15(18)24)7-12-25-13-16/h1H,3-13H2,(H2,18,24) C#CCCC1(N=N1)CCC(=O)N2CCN(CC2)C3(CCOC3)C(=O)N C#CCCC1(N=N1)CCC(=O)N2CCN(CC2)C3(CCOC3)C(=O)N UEIJUIVOQWOITM-UHFFFAOYSA-N 3-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperazin-1-yl]oxolane-3-carboxamide LDPC0555 C332 PAL-AfBPP Probe . . 372.473 C19H28N6O2 93.64 372.2273741 1.692 27 1 7 10 InChI=1S/C19H28N6O2/c1-4-5-11-19(22-23-19)12-10-17(26)20-15-9-7-6-8-14(15)13-16-21-25(3)18(27)24(16)2/h1,14-15H,5-13H2,2-3H3,(H,20,26)/t14-,15-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])c2nn(C([H])([H])[H])c(=O)n2C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])C([H])([H])c2nn(C([H])([H])[H])c(=O)n2C([H])([H])[H])N=N1 HNJANVCOHKUTKM-GJZGRUSLSA-N . LDPC0556 C333 PAL-AfBPP Probe 146152932 Z4282859907 402.5 C20H26N4O3S 99.6 750 2.3 28 1 6 8 InChI=1S/C20H26N4O3S/c1-4-5-11-20(22-23-20)12-10-19(25)21-16(3)17-6-8-18(9-7-17)24-13-15(2)14-28(24,26)27/h1,6-9,15-16H,5,10-14H2,2-3H3,(H,21,25) CC1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(C)NC(=O)CCC3(N=N3)CCC#C CC1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(C)NC(=O)CCC3(N=N3)CCC#C MKXSJSFCMJHSOG-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-[4-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]propanamide LDPC0557 C334 PAL-AfBPP Probe 146152918 . 302.422 C17H26N4O 57.06 302.2106615 2.3311 22 1 4 9 InChI=1S/C17H26N4O/c1-4-5-10-17(19-20-17)11-7-15(22)18-13-12-14(21(2)3)16(13)8-6-9-16/h1,13-14H,5-12H2,2-3H3,(H,18,22)/t13-,14+/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]2([H])C([H])([H])[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])C23C([H])([H])C([H])([H])C3([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C([H])([H])C([H])(N(C([H])([H])[H])C([H])([H])[H])C23C([H])([H])C([H])([H])C3([H])[H])N=N1 ZUOOVWNZSRBWEX-KGLIPLIRSA-N . LDPC0558 C335 PAL-AfBPP Probe . . 350.4 C15H18N4O4S 120.82 350.1048761 0.8639 24 2 6 9 InChI=1S/C15H18N4O4S/c1-3-5-6-15(18-19-15)7-8-16-13(20)12-9-11(10-17-14(12)21)24(22,23)4-2/h1,9-10H,4-8H2,2H3,(H,16,20)(H,17,21) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])c(S(=O)(=O)C([H])([H])C([H])([H])[H])c([H])n([H])c2=O)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])c(S(=O)(=O)C([H])([H])C([H])([H])[H])c([H])n([H])c2=O)N=N1 QXWVCOBXJKNZEK-UHFFFAOYSA-N . LDPC0559 C336 PAL-AfBPP Probe 146152976 . 306.41 C16H26N4O2 68.5 306.2055761 1.2572 22 1 5 10 InChI=1S/C16H26N4O2/c1-4-5-9-16(17-18-16)10-7-14(21)20-11-6-8-15(22,13-20)12-19(2)3/h1,22H,5-13H2,2-3H3/t15-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C2([H])[H])N=N1 RZJAVZCULVXNQQ-OAHLLOKOSA-N . LDPC0560 C337 PAL-AfBPP Probe 146149741 Z3426210900 312.4 C18H24N4O 68.8 575 2.4 23 0 4 8 InChI=1S/C18H24N4O/c1-3-5-8-17(15-19)11-13-22(14-12-17)16(23)7-10-18(20-21-18)9-6-4-2/h2-3H,1,5-14H2 C=CCCC1(CCN(CC1)C(=O)CCC2(N=N2)CCC#C)C#N C=CCCC1(CCN(CC1)C(=O)CCC2(N=N2)CCC#C)C#N NFSMRPXBKQJKTC-UHFFFAOYSA-N 4-but-3-enyl-1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidine-4-carbonitrile LDPC0561 C338 PAL-AfBPP Probe 146149816 Z3433405262 388.4 C21H20N6O2 99 722 2.1 29 2 5 7 InChI=1S/C21H20N6O2/c1-3-4-8-21(25-26-21)9-10-22-19(28)15-7-5-6-14(11-15)16-12-17-18(23-13-16)24-20(29)27(17)2/h1,5-7,11-13H,4,8-10H2,2H3,(H,22,28)(H,23,24,29) CN1C2=C(NC1=O)N=CC(=C2)C3=CC(=CC=C3)C(=O)NCCC4(N=N4)CCC#C CN1C2=C(NC1=O)N=CC(=C2)C3=CC(=CC=C3)C(=O)NCCC4(N=N4)CCC#C SUZJGYMLRHKTBJ-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide LDPC0562 C339 PAL-AfBPP Probe 146152651 Z4225969224 344.31 C17H14F2N4O2 79.8 570 3.1 25 1 7 7 InChI=1S/C17H14F2N4O2/c1-2-3-6-17(22-23-17)7-8-20-16(24)14-10-15(25-21-14)12-9-11(18)4-5-13(12)19/h1,4-5,9-10H,3,6-8H2,(H,20,24) C#CCCC1(N=N1)CCNC(=O)C2=NOC(=C2)C3=C(C=CC(=C3)F)F C#CCCC1(N=N1)CCNC(=O)C2=NOC(=C2)C3=C(C=CC(=C3)F)F USAHAJRHVNJJOD-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(2,5-difluorophenyl)-1,2-oxazole-3-carboxamide LDPC0563 C340 PAL-AfBPP Probe 146152963 . 372.473 C19H28N6O2 87.19 372.2273741 2.7539 27 0 7 11 InChI=1S/C19H28N6O2/c1-5-6-8-19(22-23-19)9-7-16(26)25-12-10-24(11-13-25)15(4)18-20-17(14(2)3)21-27-18/h1,14-15H,6-13H2,2-4H3/t15-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])N([C@]([H])(c3nc(C([H])(C([H])([H])[H])C([H])([H])[H])no3)C([H])([H])[H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])N(C([H])(c3nc(C([H])(C([H])([H])[H])C([H])([H])[H])no3)C([H])([H])[H])C([H])([H])C2([H])[H])N=N1 VOHGZVSEJFPIAA-HNNXBMFYSA-N . LDPC0564 C342 PAL-AfBPP Probe 146152969 Z4282860251 377.4 C18H20FN3O3S 87.6 708 2.1 26 0 6 7 InChI=1S/C18H20FN3O3S/c1-2-3-10-18(20-21-18)11-8-17(23)22-12-9-16(13-22)26(24,25)15-6-4-14(19)5-7-15/h1,4-7,16H,3,8-13H2 C#CCCC1(N=N1)CCC(=O)N2CCC(C2)S(=O)(=O)C3=CC=C(C=C3)F C#CCCC1(N=N1)CCC(=O)N2CCC(C2)S(=O)(=O)C3=CC=C(C=C3)F ZHTLQKKMGAHLBQ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one LDPC0565 C343 PAL-AfBPP Probe 146152988 Z4282860542 355.5 C21H29N3O2 54.3 642 2.7 26 0 4 5 InChI=1S/C21H29N3O2/c1-2-3-5-20(22-23-20)6-4-19(25)24-7-8-26-21(14-24)17-10-15-9-16(12-17)13-18(21)11-15/h1,15-18H,3-14H2 C#CCCC1(N=N1)CCC(=O)N2CCOC3(C2)C4CC5CC(C4)CC3C5 C#CCCC1(N=N1)CCC(=O)N2CCOC3(C2)C4CC5CC(C4)CC3C5 QYQDNXMJOXQUBQ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-spiro[adamantane-2,2'-morpholine]-4'-ylpropan-1-one LDPC0566 C344 PAL-AfBPP Probe 146149751 . 358.486 C20H30N4O2 74.13 358.2368762 3.0296 26 1 4 5 InChI=1S/C20H30N4O2/c1-2-3-12-20(22-23-20)13-11-18(25)24-15-7-5-4-6-14-21-19(26)16-9-8-10-17(16)24/h1,16-17H,3-15H2,(H,21,26)/t16-,17+/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)[C@]3([H])C([H])([H])C([H])([H])C([H])([H])[C@]23[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C3([H])C([H])([H])C([H])([H])C([H])([H])C23[H])N=N1 MXNOQAMKQOKCRA-SJORKVTESA-N . LDPC0567 C346 PAL-AfBPP Probe 146152629 Z4225960289 338.4 C18H22N6O 84 559 3.3 25 1 5 8 InChI=1S/C18H22N6O/c1-4-5-8-18(22-23-18)9-10-19-17(25)14-7-6-11-24-15(12-13(2)3)20-21-16(14)24/h1,6-7,11,13H,5,8-10,12H2,2-3H3,(H,19,25) CC(C)CC1=NN=C2N1C=CC=C2C(=O)NCCC3(N=N3)CCC#C CC(C)CC1=NN=C2N1C=CC=C2C(=O)NCCC3(N=N3)CCC#C FSCULFOSMDGCGH-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide LDPC0568 C347 PAL-AfBPP Probe 146153081 Z4286591731 342.4 C16H18N6OS 124 538 1.8 24 2 6 8 InChI=1S/C16H18N6OS/c1-3-4-6-16(21-22-16)7-9-17-14(23)10-13-11(2)19-15(24-13)12-5-8-18-20-12/h1,5,8H,4,6-7,9-10H2,2H3,(H,17,23)(H,18,20) CC1=C(SC(=N1)C2=CC=NN2)CC(=O)NCCC3(N=N3)CCC#C CC1=C(SC(=N1)C2=CC=NN2)CC(=O)NCCC3(N=N3)CCC#C ANRNAGSHXSKQPK-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]acetamide LDPC0569 C348 PAL-AfBPP Probe 146152598 Z4225937802 342.4 C16H18N6OS 113 538 2.6 24 1 6 8 InChI=1S/C16H18N6OS/c1-3-5-6-16(20-21-16)7-8-17-14(23)12-9-18-22(10-12)15-19-13(4-2)11-24-15/h1,9-11H,4-8H2,2H3,(H,17,23) CCC1=CSC(=N1)N2C=C(C=N2)C(=O)NCCC3(N=N3)CCC#C CCC1=CSC(=N1)N2C=C(C=N2)C(=O)NCCC3(N=N3)CCC#C YLOXUCSQGVPSIA-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(4-ethyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide LDPC0570 C349 PAL-AfBPP Probe 146152880 Z4282859610 363.5 C21H25N5O 71.6 581 3.3 27 1 4 9 InChI=1S/C21H25N5O/c1-4-5-12-21(24-25-21)13-11-19(27)22-14-17-15-26(23-20(17)16(2)3)18-9-7-6-8-10-18/h1,6-10,15-16H,5,11-14H2,2-3H3,(H,22,27) CC(C)C1=NN(C=C1CNC(=O)CCC2(N=N2)CCC#C)C3=CC=CC=C3 CC(C)C1=NN(C=C1CNC(=O)CCC2(N=N2)CCC#C)C3=CC=CC=C3 IWHHQMKRGWBQIN-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]propanamide LDPC0571 C350 PAL-AfBPP Probe 146152602 . 357.841 C19H20ClN3O2 63.05 357.1244046 3.462 25 1 4 6 InChI=1S/C19H20ClN3O2/c1-2-3-6-19(22-23-19)7-9-21-17(24)15-12-18(15)8-10-25-16-5-4-13(20)11-14(16)18/h1,4-5,11,15H,3,6-10,12H2,(H,21,24)/t15-,18-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@]2([H])C([H])([H])[C@@]23c2c([H])c(Cl)c([H])c([H])c2OC([H])([H])C3([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2([H])C([H])([H])C23c2c([H])c(Cl)c([H])c([H])c2OC([H])([H])C3([H])[H])N=N1 XKWCUBNTHUWTQS-YJBOKZPZSA-N . LDPC0572 C351 PAL-AfBPP Probe 146152951 Z4282860010 362.4 C17H22N4O3S 122 645 1.6 25 2 6 9 InChI=1S/C17H22N4O3S/c1-3-4-10-17(20-21-17)11-9-16(22)19-13(2)12-14-5-7-15(8-6-14)25(18,23)24/h1,5-8,13H,4,9-12H2,2H3,(H,19,22)(H2,18,23,24) CC(CC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CCC2(N=N2)CCC#C CC(CC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)CCC2(N=N2)CCC#C ZAPUOBBETIQDBW-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(4-sulfamoylphenyl)propan-2-yl]propanamide LDPC0573 C352 PAL-AfBPP Probe 146149762 . 333.417 C15H19N5O2S 95.81 333.1259458 1.7511 23 2 6 10 InChI=1S/C15H19N5O2S/c1-3-4-6-15(19-20-15)7-5-13(22)17-8-12-10-23-14(18-12)9-16-11(2)21/h1,10H,4-9H2,2H3,(H,16,21)(H,17,22) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2nc(C([H])([H])N([H])C(=O)C([H])([H])[H])sc2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2nc(C([H])([H])N([H])C(=O)C([H])([H])[H])sc2[H])N=N1 OTMDKIONBKHQAG-UHFFFAOYSA-N . LDPC0574 C353 PAL-AfBPP Probe 146149840 Z3433407590 391.4 C20H18FN7O 96.9 663 2.3 29 1 7 8 InChI=1S/C20H18FN7O/c1-2-3-9-20(26-27-20)10-12-22-18(29)13-17-24-19-23-11-8-16(28(19)25-17)14-4-6-15(21)7-5-14/h1,4-8,11H,3,9-10,12-13H2,(H,22,29) C#CCCC1(N=N1)CCNC(=O)CC2=NN3C(=CC=NC3=N2)C4=CC=C(C=C4)F C#CCCC1(N=N1)CCNC(=O)CC2=NN3C(=CC=NC3=N2)C4=CC=C(C=C4)F IOHUNIBVHHEEEA-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide LDPC0575 C354 PAL-AfBPP Probe 146149832 Z3433406737 372.8 C17H17ClN6O2 93.8 585 2.9 26 1 6 8 InChI=1S/C17H17ClN6O2/c1-3-4-7-17(22-23-17)8-10-20-16(25)13-11-14(26-2)21-24(13)15-12(18)6-5-9-19-15/h1,5-6,9,11H,4,7-8,10H2,2H3,(H,20,25) COC1=NN(C(=C1)C(=O)NCCC2(N=N2)CCC#C)C3=C(C=CC=N3)Cl COC1=NN(C(=C1)C(=O)NCCC2(N=N2)CCC#C)C3=C(C=CC=N3)Cl HADFMTWAEWKDRT-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-chloropyridin-2-yl)-5-methoxypyrazole-3-carboxamide LDPC0576 C355 PAL-AfBPP Probe 146153067 . 390.365 C19H17F3N4O2 75.94 390.1303604 3.9576 28 1 5 8 InChI=1S/C19H17F3N4O2/c1-3-4-7-18(25-26-18)8-9-23-17(27)14-11-24-15-6-5-12(28-2)10-13(15)16(14)19(20,21)22/h1,5-6,10-11H,4,7-9H2,2H3,(H,23,27) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])nc3c([H])c([H])c(OC([H])([H])[H])c([H])c3c2C(F)(F)F)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c([H])nc3c([H])c([H])c(OC([H])([H])[H])c([H])c3c2C(F)(F)F)N=N1 CJTDBVIGBINLBY-UHFFFAOYSA-N . LDPC0577 C356 PAL-AfBPP Probe 146153017 . 347.365 C18H19F2N3O2 63.05 347.1445333 3.6158 25 1 4 9 InChI=1S/C18H19F2N3O2/c1-2-3-9-18(22-23-18)10-8-16(24)21-14-11-13(14)12-6-4-5-7-15(12)25-17(19)20/h1,4-7,13-14,17H,3,8-11H2,(H,21,24)/t13-,14+/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]2([H])C([H])([H])[C@@]2([H])c2c([H])c([H])c([H])c([H])c2OC([H])(F)F)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C([H])([H])C2([H])c2c([H])c([H])c([H])c([H])c2OC([H])(F)F)N=N1 MDKNBDIOFWMPQZ-UONOGXRCSA-N . LDPC0578 C357 PAL-AfBPP Probe 146152942 . 327.403 C19H22FN3O 53.82 327.1746905 3.68112 24 1 3 9 InChI=1S/C19H22FN3O/c1-3-4-8-19(22-23-19)9-7-17(24)21-18(10-11-18)13-15-5-6-16(20)14(2)12-15/h1,5-6,12H,4,7-11,13H2,2H3,(H,21,24) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2(C([H])([H])c3c([H])c([H])c(F)c(C([H])([H])[H])c3[H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2(C([H])([H])c3c([H])c([H])c(F)c(C([H])([H])[H])c3[H])C([H])([H])C2([H])[H])N=N1 QFSQNNMIPAJGBI-UHFFFAOYSA-N . LDPC0579 C358 PAL-AfBPP Probe 146152975 Z4282860393 323.5 C16H25N3O2S 81.3 525 1.3 22 0 5 7 InChI=1S/C16H25N3O2S/c1-4-7-9-16(17-18-16)10-8-14(20)19-11-12-22(21)15(5-2,6-3)13-19/h1H,5-13H2,2-3H3 CCC1(CN(CCS1=O)C(=O)CCC2(N=N2)CCC#C)CC CCC1(CN(CCS1=O)C(=O)CCC2(N=N2)CCC#C)CC ZROAWHFSIHWXTB-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)propan-1-one LDPC0580 C359 PAL-AfBPP Probe . . 338.411 C19H22N4O2 67.15 338.1742759 2.7852 25 0 5 5 InChI=1S/C19H22N4O2/c1-2-3-6-19(21-22-19)7-4-17(24)23-11-8-18(9-12-23)16-13-20-10-5-15(16)14-25-18/h1,5,10,13H,3-4,6-9,11-12,14H2 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C3(OC([H])([H])c4c([H])c([H])nc([H])c43)C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C3(OC([H])([H])c4c([H])c([H])nc([H])c43)C([H])([H])C2([H])[H])N=N1 QXVHUYXNHTXVEB-UHFFFAOYSA-N . LDPC0581 C360 PAL-AfBPP Probe . . 331.338 C15H20F3N3O2 63.05 331.1507615 2.9583 23 1 4 7 InChI=1S/C15H20F3N3O2/c1-2-3-8-14(20-21-14)9-7-13(22)19-10-11-5-4-6-12(23-11)15(16,17)18/h1,11-12H,3-10H2,(H,19,22)/t11-,12-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])[C@]2([H])O[C@@]([H])(C(F)(F)F)C([H])([H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C2([H])OC([H])(C(F)(F)F)C([H])([H])C([H])([H])C2([H])[H])N=N1 XPPPOTPAJKNXNB-VXGBXAGGSA-N . LDPC0582 C361 PAL-AfBPP Probe 166409905 Z3433405250 287.34 C13H13N5OS 99.4 465 2.7 20 1 5 6 InChI=1S/C13H13N5OS/c1-2-3-4-13(16-17-13)5-6-15-12(19)10-8-20-11-7-14-9-18(10)11/h1,7-9H,3-6H2,(H,15,19) C#CCCC1(N=N1)CCNC(=O)C2=CSC3=CN=CN32 C#CCCC1(N=N1)CCNC(=O)C2=CSC3=CN=CN32 SULNIEVCQSYQLB-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]imidazo[5,1-b][1,3]thiazole-3-carboxamide LDPC0583 C362 PAL-AfBPP Probe 146152583 Z4225929305 348.4 C20H20N4O2 79.8 594 3.4 26 1 5 8 InChI=1S/C20H20N4O2/c1-2-3-11-20(23-24-20)12-13-21-18(25)16-17(14-9-10-14)26-19(22-16)15-7-5-4-6-8-15/h1,4-8,14H,3,9-13H2,(H,21,25) C#CCCC1(N=N1)CCNC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C4CC4 C#CCCC1(N=N1)CCNC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C4CC4 IEVKIWKVJRJURN-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide LDPC0584 C363 PAL-AfBPP Probe 146152616 Z4225952184 349.31 C16H14F3N5O 71.1 590 3.6 25 1 7 6 InChI=1S/C16H14F3N5O/c1-2-3-7-15(22-23-15)8-9-20-13(25)12-11-6-4-5-10-24(11)14(21-12)16(17,18)19/h1,4-6,10H,3,7-9H2,(H,20,25) C#CCCC1(N=N1)CCNC(=O)C2=C3C=CC=CN3C(=N2)C(F)(F)F C#CCCC1(N=N1)CCNC(=O)C2=C3C=CC=CN3C(=N2)C(F)(F)F QMQWERCCSYPIQI-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxamide LDPC0585 C364 PAL-AfBPP Probe 146152611 Z4225949754 332.8 C15H13ClN4OS 95 511 3.1 22 1 5 6 InChI=1S/C15H13ClN4OS/c1-2-3-4-15(19-20-15)5-6-17-14(21)11-9-22-12-7-10(16)8-18-13(11)12/h1,7-9H,3-6H2,(H,17,21) C#CCCC1(N=N1)CCNC(=O)C2=CSC3=C2N=CC(=C3)Cl C#CCCC1(N=N1)CCNC(=O)C2=CSC3=C2N=CC(=C3)Cl LZBMEAOMNUPVFB-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-chlorothieno[3,2-b]pyridine-3-carboxamide LDPC0586 C365 PAL-AfBPP Probe . . 396.451 C20H24N6O3 104.26 396.1909886 1.8294 29 0 7 8 InChI=1S/C20H24N6O3/c1-2-3-7-20(23-24-20)8-6-16(27)25-11-15(12-25)26-10-14(9-17(26)28)19-21-18(22-29-19)13-4-5-13/h1,13-15H,3-12H2/t14-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])(N3C(=O)C([H])([H])[C@]([H])(c4nc(C5([H])C([H])([H])C5([H])[H])no4)C3([H])[H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])(N3C(=O)C([H])([H])C([H])(c4nc(C5([H])C([H])([H])C5([H])[H])no4)C3([H])[H])C2([H])[H])N=N1 HDGSFPRQZGEOHS-AWEZNQCLSA-N . LDPC0587 C366 PAL-AfBPP Probe . . 339.317 C16H16F3N3O2 74.05 339.1194614 2.6092 24 2 4 9 InChI=1S/C16H16F3N3O2/c1-2-3-5-16(21-22-16)6-4-14(24)20-13(9-23)10-7-11(17)15(19)12(18)8-10/h1,7-8,13,23H,3-6,9H2,(H,20,24)/t13-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(c2c([H])c(F)c(F)c(F)c2[H])C([H])([H])O[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])(c2c([H])c(F)c(F)c(F)c2[H])C([H])([H])O[H])N=N1 WTSAVGIAPKRPCG-ZDUSSCGKSA-N . LDPC0588 C367 PAL-AfBPP Probe 146149813 Z3433405043 345.35 C17H17F2N5O 71.6 583 2.7 25 1 6 7 InChI=1S/C17H17F2N5O/c1-3-4-5-17(22-23-17)6-7-20-16(25)10-24-11(2)21-14-8-12(18)13(19)9-15(14)24/h1,8-9H,4-7,10H2,2H3,(H,20,25) CC1=NC2=CC(=C(C=C2N1CC(=O)NCCC3(N=N3)CCC#C)F)F CC1=NC2=CC(=C(C=C2N1CC(=O)NCCC3(N=N3)CCC#C)F)F LJKKVUYUOUONNK-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)acetamide LDPC0589 C368 PAL-AfBPP Probe 146152744 Z4269278480 370.4 C19H26N6O2 92.1 594 1.6 27 1 7 9 InChI=1S/C19H26N6O2/c1-4-5-7-19(23-24-19)8-6-18(26)20-11-15-10-16(27-3)12-25(15)17-9-14(2)21-13-22-17/h1,9,13,15-16H,5-8,10-12H2,2-3H3,(H,20,26)/t15-,16-/m1/s1 CC1=CC(=NC=N1)N2C[C@@H](C[C@@H]2CNC(=O)CCC3(N=N3)CCC#C)OC CC1=CC(=NC=N1)N2CC(CC2CNC(=O)CCC3(N=N3)CCC#C)OC WCRVUYPCGGEENY-HZPDHXFCSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[[(2R,4R)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propanamide LDPC0590 C369 PAL-AfBPP Probe 146152624 Z4225957878 358.4 C17H25F3N4O 57.1 579 2.9 25 1 7 7 InChI=1S/C17H25F3N4O/c1-5-6-7-16(22-23-16)8-9-21-14(25)12-10-24(15(2,3)4)11-13(12)17(18,19)20/h1,12-13H,6-11H2,2-4H3,(H,21,25)/t12-,13-/m0/s1 CC(C)(C)N1C[C@@H]([C@H](C1)C(F)(F)F)C(=O)NCCC2(N=N2)CCC#C CC(C)(C)N1CC(C(C1)C(F)(F)F)C(=O)NCCC2(N=N2)CCC#C DMXMJHLXZFRJTC-STQMWFEESA-N (3R,4R)-1-tert-butyl-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide LDPC0591 C370 PAL-AfBPP Probe 146152595 Z4225936020 284.36 C16H20N4O 66.7 425 1.9 21 1 4 8 InChI=1S/C16H20N4O/c1-3-4-7-16(19-20-16)8-11-18-15(21)12-13(2)14-5-9-17-10-6-14/h1,5-6,9-10,13H,4,7-8,11-12H2,2H3,(H,18,21) CC(CC(=O)NCCC1(N=N1)CCC#C)C2=CC=NC=C2 CC(CC(=O)NCCC1(N=N1)CCC#C)C2=CC=NC=C2 ZNLPDWJJRCNNGV-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-pyridin-4-ylbutanamide LDPC0592 C371 PAL-AfBPP Probe 146152645 Z4225966120 324.4 C14H20N4O3S 99.6 641 0.1 22 1 6 6 InChI=1S/C14H20N4O3S/c1-2-3-4-14(16-17-14)5-8-15-12(19)13-6-9-18(10-7-13)22(20,21)11-13/h1H,3-11H2,(H,15,19) C#CCCC1(N=N1)CCNC(=O)C23CCN(CC2)S(=O)(=O)C3 C#CCCC1(N=N1)CCNC(=O)C23CCN(CC2)S(=O)(=O)C3 FBJLFGWZOMGJFE-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2,2-dioxo-2lambda6-thia-1-azabicyclo[2.2.2]octane-4-carboxamide LDPC0593 C373 PAL-AfBPP Probe 166410051 Z3433407833 322.4 C19H22N4O 66.2 619 2.8 24 1 4 6 InChI=1S/C19H22N4O/c1-5-6-10-19(22-23-19)11-12-20-17(24)14-8-7-9-15-16(14)18(3,4)13(2)21-15/h1,7-9H,6,10-12H2,2-4H3,(H,20,24) CC1=NC2=CC=CC(=C2C1(C)C)C(=O)NCCC3(N=N3)CCC#C CC1=NC2=CC=CC(=C2C1(C)C)C(=O)NCCC3(N=N3)CCC#C GUYPCRGFUANTFT-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2,3,3-trimethylindole-4-carboxamide LDPC0594 C374 PAL-AfBPP Probe 154884287 . 321.384 C18H19N5O 81.71 321.1589602 2.23618 24 0 5 5 InChI=1S/C18H19N5O/c1-2-3-9-18(21-22-18)10-6-17(24)23-11-7-14-4-5-15(13-19)20-16(14)8-12-23/h1,4-5H,3,6-12H2 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])c3nc(C#N)c([H])c([H])c3C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])c3nc(C#N)c([H])c([H])c3C([H])([H])C2([H])[H])N=N1 DKATZLRZNYTQOX-UHFFFAOYSA-N . LDPC0595 C375 PAL-AfBPP Probe 146149769 Z3410167197 377.4 C15H18F3N3O3S 87.6 756 1.4 25 0 8 5 InChI=1S/C15H18F3N3O3S/c1-2-3-5-14(19-20-14)6-4-12(22)21-9-11-13(10-21,15(16,17)18)7-8-25(11,23)24/h1,11H,3-10H2/t11-,13-/m0/s1 C#CCCC1(N=N1)CCC(=O)N2C[C@H]3[C@@](C2)(CCS3(=O)=O)C(F)(F)F C#CCCC1(N=N1)CCC(=O)N2CC3C(C2)(CCS3(=O)=O)C(F)(F)F VVLDZSNKRWVUDH-AAEUAGOBSA-N 1-[(3aR,6aR)-1,1-dioxo-3a-(trifluoromethyl)-3,4,6,6a-tetrahydro-2H-thieno[2,3-c]pyrrol-5-yl]-3-(3-but-3-ynyldiazirin-3-yl)propan-1-one LDPC0596 C376 PAL-AfBPP Probe . . 327.35 C16H20F3N3O 45.03 327.1558469 3.6756 23 0 3 5 InChI=1S/C16H20F3N3O/c1-2-3-6-15(20-21-15)8-5-13(23)22-11-12(16(17,18)19)4-7-14(22)9-10-14/h1,12H,3-11H2/t12-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C3(C([H])([H])C3([H])[H])C([H])([H])C([H])([H])[C@]([H])(C(F)(F)F)C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])(C(F)(F)F)C([H])([H])C([H])([H])C23C([H])([H])C3([H])[H])N=N1 XQBIPPZJAIMLFE-LBPRGKRZSA-N . LDPC0597 C378 PAL-AfBPP Probe 146152647 Z4225967456 282.3 C14H14N6O 84 475 1.2 21 1 5 6 InChI=1S/C14H14N6O/c1-2-3-6-14(18-19-14)7-8-15-13(21)12-11-5-4-9-20(11)17-10-16-12/h1,4-5,9-10H,3,6-8H2,(H,15,21) C#CCCC1(N=N1)CCNC(=O)C2=NC=NN3C2=CC=C3 C#CCCC1(N=N1)CCNC(=O)C2=NC=NN3C2=CC=C3 URZNVGPLOLOWPJ-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]pyrrolo[2,1-f][1,2,4]triazine-4-carboxamide LDPC0598 C379 PAL-AfBPP Probe 146153073 Z4286591611 406.5 C18H26N6O3S 117 739 0.7 28 1 7 9 InChI=1S/C18H26N6O3S/c1-3-5-8-18(21-22-18)9-10-19-17(25)15-6-11-24(12-7-15)28(26,27)16-13-20-23(4-2)14-16/h1,13-15H,4-12H2,2H3,(H,19,25) CCN1C=C(C=N1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3(N=N3)CCC#C CCN1C=C(C=N1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3(N=N3)CCC#C OCWVXUIUSVHXCJ-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide LDPC0599 C380 PAL-AfBPP Probe 146149743 Z3426081186 313.4 C15H15N5OS 108 493 2 22 1 6 7 InChI=1S/C15H15N5OS/c1-2-3-8-15(19-20-15)9-7-13(21)16-10-11-5-4-6-12-14(11)18-22-17-12/h1,4-6H,3,7-10H2,(H,16,21) C#CCCC1(N=N1)CCC(=O)NCC2=CC=CC3=NSN=C32 C#CCCC1(N=N1)CCC(=O)NCC2=CC=CC3=NSN=C32 HSXXVYDCFYNAGO-UHFFFAOYSA-N N-(2,1,3-benzothiadiazol-4-ylmethyl)-3-(3-but-3-ynyldiazirin-3-yl)propanamide LDPC0600 C381 PAL-AfBPP Probe . . 316.365 C15H20N6O2 84.97 316.1647739 0.8547 23 0 7 9 InChI=1S/C15H20N6O2/c1-4-5-7-15(17-18-15)8-6-13(22)21-10-14(11-21,23-3)12-9-16-19-20(12)2/h1,9H,5-8,10-11H2,2-3H3 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C(OC([H])([H])[H])(c3c([H])nnn3C([H])([H])[H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C(OC([H])([H])[H])(c3c([H])nnn3C([H])([H])[H])C2([H])[H])N=N1 VYEXOAFBVAJHLA-UHFFFAOYSA-N . LDPC0601 C382 PAL-AfBPP Probe 146152902 Z4282859725 354.4 C18H18N4O2S 104 538 2.8 25 1 6 9 InChI=1S/C18H18N4O2S/c1-2-3-8-18(21-22-18)9-7-17(23)20-14-5-4-6-16(10-14)24-11-15-12-25-13-19-15/h1,4-6,10,12-13H,3,7-9,11H2,(H,20,23) C#CCCC1(N=N1)CCC(=O)NC2=CC(=CC=C2)OCC3=CSC=N3 C#CCCC1(N=N1)CCC(=O)NC2=CC(=CC=C2)OCC3=CSC=N3 DJGNDLVZFABNLI-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]propanamide LDPC0602 C383 PAL-AfBPP Probe 166417418 Z4282860004 408.5 C22H28N6O2 80.6 746 2.2 30 1 5 7 InChI=1S/C22H28N6O2/c1-4-5-10-22(24-25-22)11-9-20(29)23-16-14-18-19(27(3)21(30)26(18)2)15-17(16)28-12-7-6-8-13-28/h1,14-15H,5-13H2,2-3H3,(H,23,29) CN1C2=C(C=C(C(=C2)NC(=O)CCC3(N=N3)CCC#C)N4CCCCC4)N(C1=O)C CN1C2=C(C=C(C(=C2)NC(=O)CCC3(N=N3)CCC#C)N4CCCCC4)N(C1=O)C KDGSJISTIPRZIJ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)propanamide LDPC0603 C384 PAL-AfBPP Probe 146149760 Z3410166240 368.4 C18H20N6O3 109 689 0.7 27 1 7 9 InChI=1S/C18H20N6O3/c1-3-4-8-18(22-23-18)9-7-16(25)20-13-5-6-15(19-11-13)24-17(26)10-14(21-24)12-27-2/h1,5-6,11H,4,7-10,12H2,2H3,(H,20,25) COCC1=NN(C(=O)C1)C2=NC=C(C=C2)NC(=O)CCC3(N=N3)CCC#C COCC1=NN(C(=O)C1)C2=NC=C(C=C2)NC(=O)CCC3(N=N3)CCC#C IRRQCVCXDXIUMD-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[6-[3-(methoxymethyl)-5-oxo-4H-pyrazol-1-yl]pyridin-3-yl]propanamide LDPC0604 C385 PAL-AfBPP Probe . . 315.417 C18H25N3O2 54.26 315.194677 2.9038 23 0 4 5 InChI=1S/C18H25N3O2/c1-2-3-5-18(19-20-18)6-4-15(22)21-12-9-16(17(21)7-8-17)10-13-23-14-11-16/h1H,3-14H2 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])[C@]3(C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])[C@]23C([H])([H])C3([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C3(C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])C23C([H])([H])C3([H])[H])N=N1 SWEVOXIPSUTFDE-UHFFFAOYSA-N . LDPC0605 C386 PAL-AfBPP Probe 167776428 Z4282860593 323.4 C17H23F2N3O 45 545 3.2 23 0 5 5 InChI=1S/C17H23F2N3O/c1-2-3-8-17(20-21-17)10-7-15(23)22-11-4-5-13-6-9-16(18,19)12-14(13)22/h1,13-14H,3-12H2 C#CCCC1(N=N1)CCC(=O)N2CCCC3C2CC(CC3)(F)F C#CCCC1(N=N1)CCC(=O)N2CCCC3C2CC(CC3)(F)F JREPVURJXRGSMS-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydroquinolin-1-yl)propan-1-one LDPC0606 C387 PAL-AfBPP Probe 146152985 Z4282860527 315.4 C18H25N3O2 54.3 552 2 23 0 4 5 InChI=1S/C18H25N3O2/c1-2-3-11-18(19-20-18)12-6-15(22)21-13-16(7-4-8-16)23-17(14-21)9-5-10-17/h1H,3-14H2 C#CCCC1(N=N1)CCC(=O)N2CC3(CCC3)OC4(C2)CCC4 C#CCCC1(N=N1)CCC(=O)N2CC3(CCC3)OC4(C2)CCC4 MWYCPSDHWGYLRZ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(5-oxa-11-azadispiro[3.1.36.34]dodecan-11-yl)propan-1-one LDPC0607 C388 PAL-AfBPP Probe 166416472 Z4225928434 346.8 C16H15ClN4OS 97.8 525 3.5 23 2 4 7 InChI=1S/C16H15ClN4OS/c1-2-3-6-16(20-21-16)7-8-19-15(22)12-10-18-9-11(12)13-4-5-14(17)23-13/h1,4-5,9-10,18H,3,6-8H2,(H,19,22) C#CCCC1(N=N1)CCNC(=O)C2=CNC=C2C3=CC=C(S3)Cl C#CCCC1(N=N1)CCNC(=O)C2=CNC=C2C3=CC=C(S3)Cl XNUQQQBNQCGSIO-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide LDPC0608 C389 PAL-AfBPP Probe 146149865 Z3462083520 287.34 C13H13N5OS 99.4 465 2.7 20 1 5 6 InChI=1S/C13H13N5OS/c1-2-3-4-13(16-17-13)5-6-14-11(19)10-9-18-8-7-15-12(18)20-10/h1,7-9H,3-6H2,(H,14,19) C#CCCC1(N=N1)CCNC(=O)C2=CN3C=CN=C3S2 C#CCCC1(N=N1)CCNC(=O)C2=CN3C=CN=C3S2 LBVICNYRCFFNHS-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide LDPC0609 C390 PAL-AfBPP Probe 146152590 Z4225934471 322.4 C18H18N4O2 79.8 524 3.2 24 1 5 7 InChI=1S/C18H18N4O2/c1-3-4-9-18(21-22-18)10-11-19-17(23)15-16(24-12-20-15)14-7-5-13(2)6-8-14/h1,5-8,12H,4,9-11H2,2H3,(H,19,23) CC1=CC=C(C=C1)C2=C(N=CO2)C(=O)NCCC3(N=N3)CCC#C CC1=CC=C(C=C1)C2=C(N=CO2)C(=O)NCCC3(N=N3)CCC#C OOQLCFOVJFZBTG-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide LDPC0610 C391 PAL-AfBPP Probe 146149850 Z3433408368 313.4 C15H15N5OS 111 493 2 22 2 5 7 InChI=1S/C15H15N5OS/c1-2-3-4-15(19-20-15)5-6-16-14(21)11-7-13(22-10-11)12-8-17-18-9-12/h1,7-10H,3-6H2,(H,16,21)(H,17,18) C#CCCC1(N=N1)CCNC(=O)C2=CSC(=C2)C3=CNN=C3 C#CCCC1(N=N1)CCNC(=O)C2=CSC(=C2)C3=CNN=C3 WLFUJWBICLXRPF-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide LDPC0611 C392 PAL-AfBPP Probe 146149836 Z3433407527 395.5 C20H21N5O2S 115 667 3.2 28 1 6 8 InChI=1S/C20H21N5O2S/c1-4-5-10-20(23-24-20)11-12-21-18(26)15-8-6-7-9-16(15)25(3)19(27)17-14(2)22-13-28-17/h1,6-9,13H,5,10-12H2,2-3H3,(H,21,26) CC1=C(SC=N1)C(=O)N(C)C2=CC=CC=C2C(=O)NCCC3(N=N3)CCC#C CC1=C(SC=N1)C(=O)N(C)C2=CC=CC=C2C(=O)NCCC3(N=N3)CCC#C SOGVQMANNTUSQM-UHFFFAOYSA-N N-[2-[2-(3-but-3-ynyldiazirin-3-yl)ethylcarbamoyl]phenyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide LDPC0612 C393 PAL-AfBPP Probe 146152625 Z4225958861 338.4 C15H22N4O3S 99.6 661 0.9 23 1 6 7 InChI=1S/C15H22N4O3S/c1-2-3-6-15(17-18-15)9-10-16-13(20)12-19-11-4-5-14(7-8-14)23(19,21)22/h1H,3-12H2,(H,16,20) C#CCCC1(N=N1)CCNC(=O)CN2CCCC3(S2(=O)=O)CC3 C#CCCC1(N=N1)CCNC(=O)CN2CCCC3(S2(=O)=O)CC3 GEZZDDNCIAJOAS-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4,4-dioxo-4lambda6-thia-5-azaspiro[2.5]octan-5-yl)acetamide LDPC0613 C394 PAL-AfBPP Probe 146149811 Z3433404906 349.4 C15H19N5O3S 114 684 0.3 24 1 6 6 InChI=1S/C15H19N5O3S/c1-3-4-6-15(18-19-15)7-8-16-14(21)13-11-10-24(22,23)9-5-12(11)17-20(13)2/h1H,4-10H2,2H3,(H,16,21) CN1C(=C2CS(=O)(=O)CCC2=N1)C(=O)NCCC3(N=N3)CCC#C CN1C(=C2CS(=O)(=O)CCC2=N1)C(=O)NCCC3(N=N3)CCC#C SGOSEKKELHDULT-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carboxamide LDPC0614 C395 PAL-AfBPP Probe 154879075 Z3337873420 355.4 C17H21N7O2 104 674 0.4 26 1 6 8 InChI=1S/C17H21N7O2/c1-4-5-7-17(21-22-17)8-6-14(25)20-12(2)10-24-11-18-15-13(16(24)26)9-19-23(15)3/h1,9,11-12H,5-8,10H2,2-3H3,(H,20,25) CC(CN1C=NC2=C(C1=O)C=NN2C)NC(=O)CCC3(N=N3)CCC#C CC(CN1C=NC2=C(C1=O)C=NN2C)NC(=O)CCC3(N=N3)CCC#C HKXBTBPUWZTIEB-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propan-2-yl]propanamide LDPC0615 C396 PAL-AfBPP Probe 167878586 Z4225971360 322.4 C17H18N6O 95.4 518 2.4 24 2 5 8 InChI=1S/C17H18N6O/c1-2-3-8-17(22-23-17)9-10-18-16(24)14-7-5-4-6-13(14)11-15-19-12-20-21-15/h1,4-7,12H,3,8-11H2,(H,18,24)(H,19,20,21) C#CCCC1(N=N1)CCNC(=O)C2=CC=CC=C2CC3=NC=NN3 C#CCCC1(N=N1)CCNC(=O)C2=CC=CC=C2CC3=NC=NN3 IOTUOSPNYZPAJO-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-ylmethyl)benzamide LDPC0616 C397 PAL-AfBPP Probe . . 376.395 C20H17FN6O 84.01 376.1447874 3.8296 28 1 6 7 InChI=1S/C20H17FN6O/c1-2-3-11-20(25-26-20)12-10-18(28)22-16-8-9-17-23-24-19(27(17)13-16)14-4-6-15(21)7-5-14/h1,4-9,13H,3,10-12H2,(H,22,28) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c3nnc(-c4c([H])c([H])c(F)c([H])c4[H])n3c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])c2c([H])c([H])c3nnc(-c4c([H])c([H])c(F)c([H])c4[H])n3c2[H])N=N1 MURJQVDUKJKQHR-UHFFFAOYSA-N . LDPC0617 C398 PAL-AfBPP Probe 146152888 Z4282859666 383.4 C18H18FN7O2 114 656 1.4 28 2 7 9 InChI=1S/C18H18FN7O2/c1-2-3-7-18(24-25-18)8-6-16(27)22-13-4-5-14(19)15(9-13)23-17(28)10-26-12-20-11-21-26/h1,4-5,9,11-12H,3,6-8,10H2,(H,22,27)(H,23,28) C#CCCC1(N=N1)CCC(=O)NC2=CC(=C(C=C2)F)NC(=O)CN3C=NC=N3 C#CCCC1(N=N1)CCC(=O)NC2=CC(=C(C=C2)F)NC(=O)CN3C=NC=N3 MHUWENGZKXXXCT-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[4-fluoro-3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]propanamide LDPC0618 C399 PAL-AfBPP Probe 146152622 Z4225957111 339.4 C17H17N5OS 108 536 3.3 24 1 6 7 InChI=1S/C17H17N5OS/c1-3-4-9-17(20-21-17)10-11-18-16(23)15-14(19-22-24-15)13-8-6-5-7-12(13)2/h1,5-8H,4,9-11H2,2H3,(H,18,23) CC1=CC=CC=C1C2=C(SN=N2)C(=O)NCCC3(N=N3)CCC#C CC1=CC=CC=C1C2=C(SN=N2)C(=O)NCCC3(N=N3)CCC#C WEKBLCIKQXZENX-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(2-methylphenyl)thiadiazole-5-carboxamide LDPC0619 C400 PAL-AfBPP Probe 146152631 . 287.367 C15H21N5O 82.5 287.1746103 2.4026 21 2 4 6 InChI=1S/C15H21N5O/c1-5-6-7-15(19-20-15)8-9-16-12(21)11-10-17-13(18-11)14(2,3)4/h1,10H,6-9H2,2-4H3,(H,16,21)(H,17,18) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2nc(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])n([H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2nc(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])n([H])c2[H])N=N1 HCDXJNGWLPDPKS-UHFFFAOYSA-N . LDPC0620 C402 PAL-AfBPP Probe 167941512 Z4225944054 288.32 C15H17FN4O 66.7 450 2 21 1 5 7 InChI=1S/C15H17FN4O/c1-3-4-7-15(19-20-15)8-10-18-14(21)11(2)13-12(16)6-5-9-17-13/h1,5-6,9,11H,4,7-8,10H2,2H3,(H,18,21) CC(C1=C(C=CC=N1)F)C(=O)NCCC2(N=N2)CCC#C CC(C1=C(C=CC=N1)F)C(=O)NCCC2(N=N2)CCC#C JQEYIXWBZQCFMK-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(3-fluoropyridin-2-yl)propanamide LDPC0621 C403 PAL-AfBPP Probe 146152596 Z4225936100 387.5 C18H17N3O3S2 125 693 3.6 26 1 6 8 InChI=1S/C18H17N3O3S2/c1-2-3-11-18(20-21-18)12-13-19-17(22)15-9-10-16(25-15)26(23,24)14-7-5-4-6-8-14/h1,4-10H,3,11-13H2,(H,19,22) C#CCCC1(N=N1)CCNC(=O)C2=CC=C(S2)S(=O)(=O)C3=CC=CC=C3 C#CCCC1(N=N1)CCNC(=O)C2=CC=C(S2)S(=O)(=O)C3=CC=CC=C3 YAUOIUFBBDISGP-UHFFFAOYSA-N 5-(benzenesulfonyl)-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]thiophene-2-carboxamide LDPC0622 C404 PAL-AfBPP Probe 146152907 . 288.355 C14H20N6O 95.39 288.1698593 2.03612 21 2 5 10 InChI=1S/C14H20N6O/c1-4-6-8-14(19-20-14)9-7-12(21)16-11(5-2)13-15-10(3)17-18-13/h1,11H,5-9H2,2-3H3,(H,16,21)(H,15,17,18)/t11-/m1/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(c2nc(C([H])([H])[H])nn2[H])C([H])([H])C([H])([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])(c2nc(C([H])([H])[H])nn2[H])C([H])([H])C([H])([H])[H])N=N1 YMSDARKMOLAYTI-LLVKDONJSA-N . LDPC0623 C405 PAL-AfBPP Probe 146153051 Z4286591410 327.4 C18H21N3O3 72.3 533 3 24 1 5 8 InChI=1S/C18H21N3O3/c1-3-4-7-18(20-21-18)8-9-19-17(22)13(2)10-14-5-6-15-16(11-14)24-12-23-15/h1,5-6,11,13H,4,7-10,12H2,2H3,(H,19,22) CC(CC1=CC2=C(C=C1)OCO2)C(=O)NCCC3(N=N3)CCC#C CC(CC1=CC2=C(C=C1)OCO2)C(=O)NCCC3(N=N3)CCC#C YGAYARRYLWKOPL-UHFFFAOYSA-N 3-(1,3-benzodioxol-5-yl)-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-methylpropanamide LDPC0624 C407 PAL-AfBPP Probe 146152891 Z4282859685 391.5 C24H29N3O2 74 723 4 29 2 4 7 InChI=1S/C24H29N3O2/c1-2-3-9-24(26-27-24)10-8-21(28)25-20-6-4-19(5-7-20)22-12-17-11-18(13-22)15-23(29,14-17)16-22/h1,4-7,17-18,29H,3,8-16H2,(H,25,28) C#CCCC1(N=N1)CCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)O C#CCCC1(N=N1)CCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)O YUAVWCUZHJAIBX-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[4-(3-hydroxy-1-adamantyl)phenyl]propanamide LDPC0625 C408 PAL-AfBPP Probe 146152582 . 338.411 C19H22N4O2 74.13 338.1742759 2.42972 25 1 4 8 InChI=1S/C19H22N4O2/c1-3-4-10-19(21-22-19)11-12-20-17(24)16-9-13-23(18(16)25)15-7-5-14(2)6-8-15/h1,5-8,16H,4,9-13H2,2H3,(H,20,24)/t16-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)[C@@]2([H])C(=O)N(c3c([H])c([H])c(C([H])([H])[H])c([H])c3[H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C2([H])C(=O)N(c3c([H])c([H])c(C([H])([H])[H])c([H])c3[H])C([H])([H])C2([H])[H])N=N1 CQJYOJMZSZNLOE-INIZCTEOSA-N . LDPC0626 C409 PAL-AfBPP Probe 132313968 CHEMBL4963974;AKOS034063405 348.4 C21H24N4O 57.4 671 2.3 26 0 4 5 InChI=1S/C21H24N4O/c1-3-4-10-21(23-24-21)11-9-19(26)25-14-12-20(13-15-25)16(2)22-18-8-6-5-7-17(18)20/h1,5-8H,4,9-15H2,2H3 CC1=NC2=CC=CC=C2C13CCN(CC3)C(=O)CCC4(N=N4)CCC#C CC1=NC2=CC=CC=C2C13CCN(CC3)C(=O)CCC4(N=N4)CCC#C FRZZIWHZOROLLQ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)propan-1-one LDPC0627 C411 PAL-AfBPP Probe 146149740 . 289.339 C14H19N5O2 91.87 289.1538748 0.8473 21 2 6 10 InChI=1S/C14H19N5O2/c1-2-3-5-14(17-18-14)6-4-13(21)15-9-12-10-16-19(11-12)7-8-20/h1,10-11,20H,3-9H2,(H,15,21) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2c([H])nn(C([H])([H])C([H])([H])O[H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])c2c([H])nn(C([H])([H])C([H])([H])O[H])c2[H])N=N1 YPTMXNHSTZCSLM-UHFFFAOYSA-N . LDPC0628 C412 PAL-AfBPP Probe 146152626 Z4225959156 288.35 C14H20N6O 95.4 457 1.3 21 2 5 8 InChI=1S/C14H20N6O/c1-4-5-6-14(18-19-14)7-8-15-12(21)13(2,3)9-11-10-16-20-17-11/h1,10H,5-9H2,2-3H3,(H,15,21)(H,16,17,20) CC(C)(CC1=NNN=C1)C(=O)NCCC2(N=N2)CCC#C CC(C)(CC1=NNN=C1)C(=O)NCCC2(N=N2)CCC#C QIYQCOMAVZHKQX-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2,2-dimethyl-3-(2H-triazol-4-yl)propanamide LDPC0629 C413 PAL-AfBPP Probe 146152643 Z4225964884 347.32 C17H15F2N3O3 76.2 569 4.1 25 1 7 8 InChI=1S/C17H15F2N3O3/c1-2-3-7-17(21-22-17)8-9-20-15(23)13-10-11-5-4-6-12(14(11)24-13)25-16(18)19/h1,4-6,10,16H,3,7-9H2,(H,20,23) C#CCCC1(N=N1)CCNC(=O)C2=CC3=C(O2)C(=CC=C3)OC(F)F C#CCCC1(N=N1)CCNC(=O)C2=CC3=C(O2)C(=CC=C3)OC(F)F NGVBLTWCHWFGHM-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-7-(difluoromethoxy)-1-benzofuran-2-carboxamide LDPC0630 C414 PAL-AfBPP Probe 146152966 Z4282860224 323.4 C17H23F2N3O 45 549 3 23 0 5 5 InChI=1S/C17H23F2N3O/c1-2-3-5-17(20-21-17)6-4-14(23)22-11-9-15(10-12-22)7-8-16(18,19)13-15/h1H,3-13H2 C#CCCC1(N=N1)CCC(=O)N2CCC3(CCC(C3)(F)F)CC2 C#CCCC1(N=N1)CCC(=O)N2CCC3(CCC(C3)(F)F)CC2 GRYHDGOGESGYSJ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)propan-1-one LDPC0631 C416 PAL-AfBPP Probe 146149830 . 331.372 C17H21N3O4 96.42 331.1532062 1.973 24 2 6 8 InChI=1S/C17H21N3O4/c1-2-3-5-17(19-20-17)6-9-18-15(21)13-4-10-24-14(13)16(22)7-11-23-12-8-16/h1,4,10,22H,3,5-9,11-12H2,(H,18,21) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c(C3(O[H])C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])oc([H])c2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2c(C3(O[H])C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])oc([H])c2[H])N=N1 AGWQNMQCZWUTCI-UHFFFAOYSA-N . LDPC0632 C417 PAL-AfBPP Probe 146153055 . 339.355 C17H17N5O3 108.68 339.1331394 0.7716 25 2 6 7 InChI=1S/C17H17N5O3/c1-2-3-8-17(20-21-17)9-10-18-14(23)11-22-16(25)13-7-5-4-6-12(13)15(24)19-22/h1,4-7H,3,8-11H2,(H,18,23)(H,19,24) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])n2c(=O)c3c([H])c([H])c([H])c([H])c3c(=O)n2[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])n2c(=O)c3c([H])c([H])c([H])c([H])c3c(=O)n2[H])N=N1 DCVUUTXUYQBPFU-UHFFFAOYSA-N . LDPC0633 C418 PAL-AfBPP Probe 146152926 Z4282859881 325.31 C14H17F2N5O2 80.9 499 1.6 23 1 7 9 InChI=1S/C14H17F2N5O2/c1-3-4-6-14(19-20-14)7-5-12(22)17-10-8-21(9-11(15)16)18-13(10)23-2/h1,8,11H,4-7,9H2,2H3,(H,17,22) COC1=NN(C=C1NC(=O)CCC2(N=N2)CCC#C)CC(F)F COC1=NN(C=C1NC(=O)CCC2(N=N2)CCC#C)CC(F)F UGRITOANPRYBJF-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]propanamide LDPC0634 C419 PAL-AfBPP Probe 146149825 Z3433405643 331.8 C17H18ClN3O2 63 521 3 23 1 4 7 InChI=1S/C17H18ClN3O2/c1-2-3-5-17(20-21-17)6-7-19-15(22)11-13-10-14(18)9-12-4-8-23-16(12)13/h1,9-10H,3-8,11H2,(H,19,22) C#CCCC1(N=N1)CCNC(=O)CC2=CC(=CC3=C2OCC3)Cl C#CCCC1(N=N1)CCNC(=O)CC2=CC(=CC3=C2OCC3)Cl JKLAOGPIXSKUSM-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)acetamide LDPC0635 C420 PAL-AfBPP Probe 146152615 . 332.816 C15H13ClN4OS 66.71 332.0498597 3.6451 22 1 5 6 InChI=1S/C15H13ClN4OS/c1-2-3-6-15(19-20-15)7-9-17-13(21)12-11(16)10-5-4-8-18-14(10)22-12/h1,4-5,8H,3,6-7,9H2,(H,17,21) [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2sc3nc([H])c([H])c([H])c3c2Cl)N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])N([H])C(=O)c2sc3nc([H])c([H])c([H])c3c2Cl)N=N1 MBROLWILMNBMJA-UHFFFAOYSA-N . LDPC0636 C421 PAL-AfBPP Probe 146152584 Z4225929714 334.8 C16H19ClN4O2 75.9 494 3.4 23 1 5 8 InChI=1S/C16H19ClN4O2/c1-4-5-8-16(20-21-16)9-10-18-15(22)14-12(17)6-7-13(19-14)23-11(2)3/h1,6-7,11H,5,8-10H2,2-3H3,(H,18,22) CC(C)OC1=NC(=C(C=C1)Cl)C(=O)NCCC2(N=N2)CCC#C CC(C)OC1=NC(=C(C=C1)Cl)C(=O)NCCC2(N=N2)CCC#C MGTZSQJAZBYHNH-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-chloro-6-propan-2-yloxypyridine-2-carboxamide LDPC0637 C422 PAL-AfBPP Probe . . 327.35 C16H20F3N3O 53.82 327.1558469 3.5794 23 1 3 6 InChI=1S/C16H20F3N3O/c1-2-3-6-15(21-22-15)8-5-13(23)20-12-9-11-4-7-14(12,10-11)16(17,18)19/h1,11-12H,3-10H2,(H,20,23)/t11-,12-,14+/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@@]2([H])C([H])([H])[C@]3([H])C([H])([H])C([H])([H])[C@@]2(C(F)(F)F)C3([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C([H])([H])C3([H])C([H])([H])C([H])([H])C2(C(F)(F)F)C3([H])[H])N=N1 GUQVTZYWOHGGOK-SGMGOOAPSA-N . LDPC0638 C423 PAL-AfBPP Probe 167917700 Z4282859913 401.9 C20H24ClN5O2 77.4 636 2.4 28 1 5 8 InChI=1S/C20H24ClN5O2/c1-2-3-9-20(23-24-20)10-8-18(27)22-15-19(28)26-13-11-25(12-14-26)17-6-4-16(21)5-7-17/h1,4-7H,3,8-15H2,(H,22,27) C#CCCC1(N=N1)CCC(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl C#CCCC1(N=N1)CCC(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl FQDOCOXAYUQBPR-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]propanamide LDPC0639 C424 PAL-AfBPP Probe 146152923 Z4282859869 392.4 C18H21FN4O3S 99.6 719 1.6 27 1 7 7 InChI=1S/C18H21FN4O3S/c1-2-3-7-18(21-22-18)8-6-17(24)20-14-4-5-15(19)16(13-14)23-9-11-27(25,26)12-10-23/h1,4-5,13H,3,6-12H2,(H,20,24) C#CCCC1(N=N1)CCC(=O)NC2=CC(=C(C=C2)F)N3CCS(=O)(=O)CC3 C#CCCC1(N=N1)CCC(=O)NC2=CC(=C(C=C2)F)N3CCS(=O)(=O)CC3 BERNJPNKZNCNHZ-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluorophenyl]propanamide LDPC0640 C425 PAL-AfBPP Probe 146152620 Z4225955998 292.38 C15H24N4O2 66.3 426 1.2 21 1 5 8 InChI=1S/C15H24N4O2/c1-3-4-7-15(17-18-15)8-9-16-14(20)12-21-13-5-10-19(2)11-6-13/h1,13H,4-12H2,2H3,(H,16,20) CN1CCC(CC1)OCC(=O)NCCC2(N=N2)CCC#C CN1CCC(CC1)OCC(=O)NCCC2(N=N2)CCC#C RLYYWELQDBZTQV-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(1-methylpiperidin-4-yl)oxyacetamide LDPC0641 C426 PAL-AfBPP Probe 167873089 Z4286591601 404.4 C22H17FN4O3 91.2 789 3 30 1 6 7 InChI=1S/C22H17FN4O3/c1-2-3-10-22(25-26-22)11-12-24-19(28)14-4-9-17-18(13-14)21(30)27(20(17)29)16-7-5-15(23)6-8-16/h1,4-9,13H,3,10-12H2,(H,24,28) C#CCCC1(N=N1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)F C#CCCC1(N=N1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)F OPBHCUPWLXJSTO-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide LDPC0642 C427 PAL-AfBPP Probe 146152698 . 313.361 C16H19N5O2 99.57 313.1538748 1.0991 23 2 5 6 InChI=1S/C16H19N5O2/c1-2-3-7-16(20-21-16)8-6-14(22)17-12-4-5-13-11(9-12)10-15(23)19-18-13/h1,10,12H,3-9H2,(H,17,22)(H,19,23)/t12-/m0/s1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])[C@]2([H])C([H])([H])c3c(nn([H])c(=O)c3[H])C([H])([H])C2([H])[H])N=N1 [H]C#CC([H])([H])C([H])([H])C1(C([H])([H])C([H])([H])C(=O)N([H])C2([H])C([H])([H])c3c(nn([H])c(=O)c3[H])C([H])([H])C2([H])[H])N=N1 UZVFGXJZTPDCRO-LBPRGKRZSA-N . LDPC0643 C428 PAL-AfBPP Probe 146149806 Z3426152142 335.4 C19H21N5O 81.7 633 1.5 25 0 5 6 InChI=1S/C19H21N5O/c1-2-3-10-19(22-23-19)11-8-17(25)24-13-6-9-18(14-20,15-24)16-7-4-5-12-21-16/h1,4-5,7,12H,3,6,8-11,13,15H2 C#CCCC1(N=N1)CCC(=O)N2CCCC(C2)(C#N)C3=CC=CC=N3 C#CCCC1(N=N1)CCC(=O)N2CCCC(C2)(C#N)C3=CC=CC=N3 BWSDPGSMKUKAKA-UHFFFAOYSA-N 1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-3-pyridin-2-ylpiperidine-3-carbonitrile LDPC0644 C429 PAL-AfBPP Probe 146152927 Z4282859884 366.5 C20H22N4OS 95 570 3.7 26 1 5 8 InChI=1S/C20H22N4OS/c1-4-5-11-20(23-24-20)12-10-19(25)21-14(2)16-6-8-17(9-7-16)18-13-26-15(3)22-18/h1,6-9,13-14H,5,10-12H2,2-3H3,(H,21,25) CC1=NC(=CS1)C2=CC=C(C=C2)C(C)NC(=O)CCC3(N=N3)CCC#C CC1=NC(=CS1)C2=CC=C(C=C2)C(C)NC(=O)CCC3(N=N3)CCC#C GMKGSOYOCSKHDW-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-N-[1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide LDPC0645 C430 PAL-AfBPP Probe 146152614 Z4225951501 392.5 C21H24N6O2 93.8 647 1.7 29 1 6 8 InChI=1S/C21H24N6O2/c1-2-3-8-21(25-26-21)9-11-23-20(28)18-15-27(17-5-4-10-22-14-17)24-19(18)16-6-12-29-13-7-16/h1,4-5,10,14-16H,3,6-9,11-13H2,(H,23,28) C#CCCC1(N=N1)CCNC(=O)C2=CN(N=C2C3CCOCC3)C4=CN=CC=C4 C#CCCC1(N=N1)CCNC(=O)C2=CN(N=C2C3CCOCC3)C4=CN=CC=C4 JEYNOGKDFSTITG-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(oxan-4-yl)-1-pyridin-3-ylpyrazole-4-carboxamide LDPC0646 C431 PAL-AfBPP Probe 146152956 Z4282860081 378.5 C22H26N4O2 59.2 663 3.3 28 0 4 7 InChI=1S/C22H26N4O2/c1-4-5-13-22(23-24-22)14-12-19(27)26-15-8-11-18(26)20-16-9-6-7-10-17(16)25(2)21(20)28-3/h1,6-7,9-10,18H,5,8,11-15H2,2-3H3 CN1C2=CC=CC=C2C(=C1OC)C3CCCN3C(=O)CCC4(N=N4)CCC#C CN1C2=CC=CC=C2C(=C1OC)C3CCCN3C(=O)CCC4(N=N4)CCC#C BHRRGHMCKTXYFE-UHFFFAOYSA-N 3-(3-but-3-ynyldiazirin-3-yl)-1-[2-(2-methoxy-1-methylindol-3-yl)pyrrolidin-1-yl]propan-1-one LDPC0647 C432 PAL-AfBPP Probe 146153059 Z4286591505 343.4 C17H21N5O3 105 688 0.3 25 2 6 7 InChI=1S/C17H21N5O3/c1-2-3-6-17(21-22-17)7-8-18-16(24)13-11-14(23)20-15(19-13)12-4-9-25-10-5-12/h1,11-12H,3-10H2,(H,18,24)(H,19,20,23) C#CCCC1(N=N1)CCNC(=O)C2=CC(=O)NC(=N2)C3CCOCC3 C#CCCC1(N=N1)CCNC(=O)C2=CC(=O)NC(=N2)C3CCOCC3 MWWCKRGRBPPALC-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide LDPC0648 C433 PAL-AfBPP Probe 146149864 Z3462042539 329.35 C17H19N3O4 81.5 535 2.1 24 1 6 7 InChI=1S/C17H19N3O4/c1-3-4-5-17(19-20-17)6-7-18-16(21)12-10-13(22-2)15-14(11-12)23-8-9-24-15/h1,10-11H,4-9H2,2H3,(H,18,21) COC1=CC(=CC2=C1OCCO2)C(=O)NCCC3(N=N3)CCC#C COC1=CC(=CC2=C1OCCO2)C(=O)NCCC3(N=N3)CCC#C RMIAWAMCUXMKJH-UHFFFAOYSA-N N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide LDPC0649 Ox-W18 ABPP Probe . . 297.292 C11H11N3O5S 96.06 297.0419415 0.6504 20 0 5 5 InChI=1S/C11H11N3O5S/c1-3-8-12(2)20(17,18)14-11(19-14)9-6-4-5-7-10(9)13(15)16/h1,4-7,11H,8H2,2H3 C#CCN(C)S(=O)(=O)N1OC1c1ccccc1[N+](=O)[O-] C#CCN(C)S(=O)(=O)N1OC1c1ccccc1[N+](=O)[O-] YHJJLFVVUIIJFA-UHFFFAOYSA-N . LDPC0650 Compound 11 ABPP Probe . . 380.875 C22H21ClN2O2 40.62 380.1291556 3.5445 27 0 2 4 InChI=1S/C22H21ClN2O2/c1-2-17-8-10-18(11-9-17)22(27)24-14-12-20(13-15-24)25(21(26)16-23)19-6-4-3-5-7-19/h1,3-11,20H,12-16H2 C#Cc1ccc(C(=O)N2CCC(N(C(=O)CCl)c3ccccc3)CC2)cc1 C#Cc1ccc(C(=O)N2CCC(N(C(=O)CCl)c3ccccc3)CC2)cc1 ZFCNXMPSCLSEJI-UHFFFAOYSA-N . LDPC0651 Compound 10 ABPP Probe . . 482.749 C20H20ClIN2O2 40.62 482.0258036 4.1678 26 0 2 4 InChI=1S/C20H20ClIN2O2/c21-14-19(25)24(17-4-2-1-3-5-17)18-10-12-23(13-11-18)20(26)15-6-8-16(22)9-7-15/h1-9,18H,10-14H2 O=C(c1ccc(I)cc1)N1CCC(N(C(=O)CCl)c2ccccc2)CC1 O=C(c1ccc(I)cc1)N1CCC(N(C(=O)CCl)c2ccccc2)CC1 IVNMOMCHTNIBKP-UHFFFAOYSA-N . LDPC0652 CCW36 ABPP Probe . . 405.881 C24H20ClNO3 38.77 405.1131712 5.2629 29 0 3 8 InChI=1S/C24H20ClNO3/c1-2-16-28-21-12-14-23(15-13-21)29-22-10-8-20(9-11-22)26(24(27)17-25)18-19-6-4-3-5-7-19/h1,3-15H,16-18H2 C#CCOc1ccc(Oc2ccc(N(Cc3ccccc3)C(=O)CCl)cc2)cc1 C#CCOc1ccc(Oc2ccc(N(Cc3ccccc3)C(=O)CCl)cc2)cc1 KWQKWRNWTIMIIN-UHFFFAOYSA-N . LDPC0653 NAIA_4 ABPP Probe 171403793 . 324.4 C19H20N2O3 60.3 508 3.1 24 1 3 8 InChI=1S/C19H20N2O3/c1-3-5-6-7-12-20-18(22)14-24-17-10-8-9-16-15(17)11-13-21(16)19(23)4-2/h1,4,8-11,13H,2,5-7,12,14H2,(H,20,22) C=CC(=O)N1C=CC2=C1C=CC=C2OCC(=O)NCCCCC#C C=CC(=O)N1C=CC2=C1C=CC=C2OCC(=O)NCCCCC#C FKRSPYZRCZHEDV-UHFFFAOYSA-N N-hex-5-ynyl-2-(1-prop-2-enoylindol-4-yl)oxyacetamide LDPC0654 NAIA_5 ABPP Probe 171403789 . 324.4 C19H20N2O3 60.3 508 3.1 24 1 3 8 InChI=1S/C19H20N2O3/c1-3-5-6-7-11-20-18(22)14-24-16-8-9-17-15(13-16)10-12-21(17)19(23)4-2/h1,4,8-10,12-13H,2,5-7,11,14H2,(H,20,22) C=CC(=O)N1C=CC2=C1C=CC(=C2)OCC(=O)NCCCCC#C C=CC(=O)N1C=CC2=C1C=CC(=C2)OCC(=O)NCCCCC#C STJKPWRTQBLLKC-UHFFFAOYSA-N N-hex-5-ynyl-2-(1-prop-2-enoylindol-5-yl)oxyacetamide LDPC0655 5E-2FA ABPP Probe 45158820 . 135.14 C8H6FN 26 158 1.6 10 1 2 1 InChI=1S/C8H6FN/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H,10H2 C#CC1=CC(=C(C=C1)F)N C#CC1=CC(=C(C=C1)F)N NTSDAICHQULLSI-UHFFFAOYSA-N 5-ethynyl-2-fluoroaniline LDPC0656 HHS-465 ABPP Probe 139207991 . 290.3 C12H10N4O3S 102 491 0.9 20 1 5 4 InChI=1S/C12H10N4O3S/c1-2-7-13-12(17)10-3-5-11(6-4-10)20(18,19)16-14-8-9-15-16/h1,3-6,8-9H,7H2,(H,13,17) C#CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2N=CC=N2 C#CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2N=CC=N2 WNTFRPMXKGYXLC-UHFFFAOYSA-N N-prop-2-ynyl-4-(triazol-2-ylsulfonyl)benzamide LDPC0657 OPA-S-S-alkyne ABPP Probe . . 406.529 C19H22N2O4S2 92.34 406.1020992 1.8813 27 2 6 13 InChI=1S/C19H22N2O4S2/c1-2-8-20-18(24)6-10-26-27-11-7-19(25)21-9-5-15-3-4-16(13-22)17(12-15)14-23/h1,3-4,12-14H,5-11H2,(H,20,24)(H,21,25) C#CCNC(=O)CCSSCCC(=O)NCCc1ccc(C=O)c(C=O)c1 C#CCNC(=O)CCSSCCC(=O)NCCc1ccc(C=O)c(C=O)c1 XASRUOIPZKSSSH-UHFFFAOYSA-N . LDPC0658 Probe 1 ABPP Probe . . 215.946 C8H5BF4N2 28.15 216.0481914 3.45248 15 0 1 0 InChI=1S/C8H5N2.BF4/c1-2-7-4-3-5-8(6-7)10-9;2-1(3,4)5/h1,3-6H;/q+1;-1 C#Cc1cccc([N+]#N)c1.F[B-](F)(F)F C#Cc1cccc([N+]#N)c1.F[B-](F)(F)F ASLATZCGKCNZJE-UHFFFAOYSA-N .