Microstates

Showing 5301 through 5400 of 6099
Rank Microstate SMILES ΔG / kcal M-1
5301 EN300-173216_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C(=O)NCC5CC5 −4.8 ± 0.3
5302 EN300-7465386_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@]5(CCS(=O)(=O)C5)CO −4.8 ± 0.4
5303 EN300-1179745_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCOC5CCS(=O)(=O)CC5 −4.7 ± 0.5
5304 EN300-124652_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H]5CC(=O)N −4.7 ± 0.4
5305 EN300-7425555_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC[NH+](CC5)C6COC6 −4.7 ± 0.4
5306 EN300-300044_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCS(=O)(=O)C(F)(F)F −4.7 ± 0.5
5307 EN300-2009745_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(=O)NC[C@@H]5C(=O)N −4.7 ± 0.3
5308 EN300-2965876_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC[N@@H+]5CC[C@H](C5)CO −4.7 ± 0.3
5309 EN300-188650_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCc5[nH]cc[nH+]5 −4.7 ± 0.3
5310 EN300-19515_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCC(=O)N5 −4.7 ± 0.2
5311 EN300-99214_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CC(=O)N(C5)C6CC6 −4.7 ± 0.3
5312 JOH-UNI-f51e3bbc-4_2 molecule COc1c(c2ccccc2cn1)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl −4.7 ± 0.2
5313 EN300-7183657_4_1 molecule C[C@]1(C[C@@H](C1)C(=O)NCCC[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5)O −4.7 ± 0.3
5314 EN300-69553_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCn5cncn5 −4.7 ± 0.4
5315 EN300-69553_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCn5cncn5 −4.7 ± 0.4
5316 EN300-261210_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]5(CCOC5)C#N −4.7 ± 0.3
5317 EN300-1081929_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]6CCS(=O)(=O)C[C@H]6C5 −4.7 ± 0.3
5318 EN300-10170_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H](CO)NC(=O)N −4.7 ± 0.3
5319 VLA-UCB-05e51b3f-10_1 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl −4.7 ± 0.2
5320 EN300-60035_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCCNC5=O −4.7 ± 0.3
5321 EN300-60035_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCCNC5=O −4.7 ± 0.3
5322 EN300-103031_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5c6c([nH]n5)CCOC6 −4.7 ± 0.3
5323 EN300-1425963_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CC[C@@H]5[NH+]6CCOCC6 −4.7 ± 0.3
5324 EN300-73738_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[NH+]5CCC(CC5)CO −4.7 ± 0.3
5325 EN300-191323_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCNC(=O)C5CCC5 −4.7 ± 0.2
5326 EN300-6504697_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5CC6(CC6)S(=O)(=O)N5 −4.7 ± 0.3
5327 EN300-191323_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCNC(=O)C5CCC5 −4.7 ± 0.2
5328 EN300-1609231_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(CC(C5)CO)C(=O)N −4.7 ± 0.3
5329 EN300-1699332_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(CC5)[C@H](CO)O −4.7 ± 0.3
5330 VLA-UCB-50c39ae8-4_1 molecule CC(=O)N1CC[NH+](CC1)CC(=O)N(c2cncc3c2cccc3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −4.7 ± 0.5
5331 EN300-227044_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)(CO)C#N −4.7 ± 0.3
5332 EN300-7444335_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@]5(CCOC5)c6n[n-]nn6 −4.7 ± 0.3
5333 EN300-7465386_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@]5(CCS(=O)(=O)C5)CO −4.7 ± 0.4
5334 EN300-1081929_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6CCS(=O)(=O)C[C@H]6C5 −4.7 ± 0.3
5335 EN300-313360_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]([C@@H]5CCCO5)O −4.7 ± 0.4
5336 EN300-65115_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)O −4.7 ± 0.2
5337 EN300-2965876_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[N@H+]5CC[C@H](C5)CO −4.7 ± 0.4
5338 EN300-41518_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[NH+]5CCOCC5 −4.7 ± 0.4
5339 EN300-198633_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@H]5CCCCNC5=O −4.7 ± 0.3
5340 EN300-187348_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(=O)N(C5)C6CC6 −4.7 ± 0.2
5341 EN300-84783_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC[NH+]5CC=CC5 −4.7 ± 0.3
5342 EN300-59879_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[NH+]5CCC(CC5)CO −4.7 ± 0.3
5343 EN300-41518_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[NH+]5CCOCC5 −4.7 ± 0.3
5344 EN300-67478_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(CC5)NC(=O)N −4.7 ± 0.4
5345 EN300-98313_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@]5(CCSC5)O −4.7 ± 0.3
5346 EN300-367292_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@H]5CCC[N@H+]6CCO −4.7 ± 0.4
5347 EN300-261236_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)Cc6[nH]ncn6 −4.7 ± 0.3
5348 EN300-186943_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CN5CCOCC5=O −4.7 ± 0.3
5349 EN300-93878_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCC[N@@H+]5CC[C@H](C5)O −4.7 ± 0.3
5350 EN300-7429986_1_1 molecule CS(=O)(=O)C[C@H]1C[C@@H](C1)NC(=O)C[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5 −4.7 ± 0.4
5351 EN300-44873_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CC[N@@]5CCCS5(=O)=O −4.7 ± 0.4
5352 EN300-6746727_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5Cc6c([nH]c(=O)[nH]c6=O)C5 −4.7 ± 0.3
5353 EN300-62191_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCC(=O)NC5 −4.7 ± 0.3
5354 EN300-62191_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCC(=O)NC5 −4.7 ± 0.3
5355 EN300-317210_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC6(C5)CC(C6)O −4.7 ± 0.3
5356 EN300-343474_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@@H]5CCNC5=O −4.7 ± 0.3
5357 EN300-124365_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCC5)[NH+]6CCOCC6 −4.7 ± 0.3
5358 EN300-365993_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]6CS(=O)(=O)C[C@@H]6C5 −4.7 ± 0.3
5359 EN300-124394_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[NH+](CC5)C6COC6 −4.7 ± 0.4
5360 EN300-70092_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](C5)C(=O)N −4.7 ± 0.3
5361 EN300-107048_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC5(CC5)CO −4.7 ± 0.2
5362 DAR-DIA-6a508060-8_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)C5CC5 −4.7 ± 0.2
5363 EN300-260696_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5C[C@@H]([C@@H]5n6cccn6)O −4.7 ± 0.2
5364 EN300-6482296_4_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CO[C@@H]6[C@H]5COC6 −4.7 ± 0.3
5365 EN300-332002_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCc6n5c(=O)ccc6 −4.7 ± 0.3
5366 EN300-1215738_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC[C@H]5CCC(=O)NC5 −4.7 ± 0.3
5367 EN300-39033_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCNC(=O)c5ccncc5 −4.7 ± 0.4
5368 EN300-53423_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCOC5 −4.7 ± 0.2
5369 EN300-6731820_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)[NH+]6CC(C6)F −4.7 ± 0.4
5370 EN300-191187_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]([C@@H]5CCCO5)C(=O)N −4.7 ± 0.3
5371 EN300-139268_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C(=O)NCC(F)(F)F −4.7 ± 0.2
5372 EN300-141254_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCSC[C@@H]5c6n[n-]nn6 −4.7 ± 0.4
5373 EN300-80855_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]([C@@H]5CCOC5)O −4.7 ± 0.4
5374 EN300-148321_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[NH+](CC5)[C@H]6CCOC6 −4.7 ± 0.3
5375 EN300-148321_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[NH+](CC5)[C@H]6CCOC6 −4.7 ± 0.3
5376 EN300-149975_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CCC5)CO −4.7 ± 0.2
5377 EN300-1605566_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CN6CC[NH+]5CC6 −4.7 ± 0.3
5378 EN300-127487_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CC(=O)NC5 −4.7 ± 0.2
5379 EN300-78368_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCCCC5)NC(=O)N −4.7 ± 0.2
5380 EN300-110325_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5cnncn5 −4.7 ± 0.3
5381 EN300-112454_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5ccc(nn5)C(=O)N −4.7 ± 0.2
5382 EN300-127612_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCNC(=O)c5ccn[nH]5 −4.7 ± 0.3
5383 EN300-342668_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC56CC[NH+](C5)CC6 −4.7 ± 0.2
5384 EN300-71022_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC[NH+](CC5)CCO −4.7 ± 0.4
5385 EN300-43282_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H]5c6n[n-]nn6 −4.7 ± 0.3
5386 EN300-10747_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CN5CSCC5=O −4.7 ± 0.3
5387 EN300-90372_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5c[nH]c(=O)[nH]c5=O −4.7 ± 0.2
5388 EN300-6504535_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5C[C@H](CO5)CO −4.7 ± 0.2
5389 EN300-260405_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)[N@@H+]6CC[C@@H](C6)O −4.7 ± 0.4
5390 EN300-7355519_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@H]5C[C@H]6[C@@H](O5)CCO6 −4.7 ± 0.3
5391 EN300-239825_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@@H]5c6n[n-]nn6 −4.7 ± 0.4
5392 EN300-2965876_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[N@H+]5CC[C@@H](C5)CO −4.6 ± 0.4
5393 EN300-305294_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6C[C@H]([C@@H]6C5)O −4.6 ± 0.3
5394 EN300-1587691_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCNC(=O)[C@H]5CCO −4.6 ± 0.3
5395 EN300-256759_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCC(=O)NCC5 −4.6 ± 0.3
5396 EN300-341337_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@]56CCO[C@@H]5CCOC6 −4.6 ± 0.3
5397 EN300-365077_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCNC(=O)c5cnccn5 −4.6 ± 0.3
5398 EN300-365077_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCNC(=O)c5cnccn5 −4.6 ± 0.3
5399 EN300-6498726_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CO)CF −4.6 ± 0.3
5400 EN300-6474647_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCN6[C@H](C5)CCNC6=O −4.6 ± 0.3
Last updated 2020-12-09T19:38:12.118034+00:00
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