Microstates

Showing 4401 through 4500 of 6099
Rank Microstate SMILES ΔG / kcal M-1
4401 EN300-7465386_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@]5(CCS(=O)(=O)C5)CO −5.7 ± 0.4
4402 EN300-7442191_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@]5(C[NH+]6CCC5CC6)O −5.7 ± 0.3
4403 EN300-315963_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5cnoc5 −5.7 ± 0.2
4404 EN300-31244_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5CCS(=O)(=O)C5 −5.7 ± 0.3
4405 EN300-31244_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5CCS(=O)(=O)C5 −5.7 ± 0.3
4406 EN300-7459805_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC56CC(C5)(CCO6)CO −5.7 ± 0.3
4407 EN300-305294_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6C[C@@H]([C@@H]6C5)O −5.7 ± 0.3
4408 EN300-321558_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@@H](C5)CC(=O)N −5.7 ± 0.3
4409 EN300-102007_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@@H](C5)CCO −5.7 ± 0.3
4410 EN300-298869_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@]5(CCOC5)OCCO −5.7 ± 0.3
4411 EN300-86205_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5c(=O)[nH]cnc5[O-] −5.7 ± 0.3
4412 EN300-298869_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@]5(CCOC5)OCCO −5.7 ± 0.3
4413 EN300-253681_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCN5CCNC5=O −5.7 ± 0.3
4414 EN300-1704047_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5Cc6c(cn[nH]6)[C@H]5C(=O)N −5.7 ± 0.4
4415 EN300-31147_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCNC(=O)C5CC5 −5.7 ± 0.3
4416 EN300-1268016_1_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@@H]6[C@@H]5C[C@H](C6)C(=O)N −5.7 ± 0.3
4417 EN300-31553_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCS(=O)(=O)N −5.7 ± 0.3
4418 EN300-155447_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5nnc6n5CCOC6 −5.7 ± 0.3
4419 EN300-233951_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@@H](C5)O −5.7 ± 0.4
4420 EN300-233951_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@@H](C5)O −5.7 ± 0.4
4421 EN300-22884_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N5CCNC(=O)C5 −5.7 ± 0.3
4422 EN300-175474_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCc6c(c(=O)[nH]cn6)C5 −5.7 ± 0.4
4423 EN300-378836_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[N@@]5CCCCS5(=O)=O −5.7 ± 0.4
4424 EN300-1222960_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@H]6CCOC6=O −5.7 ± 0.3
4425 EN300-1605566_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CN6CC[NH+]5CC6 −5.7 ± 0.3
4426 EN300-54588_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCCn6c5ncn6 −5.7 ± 0.3
4427 EN300-41863_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5c[nH]nc5 −5.7 ± 0.2
4428 EN300-14949_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cc5)OCC(=O)N −5.7 ± 0.3
4429 EN300-261365_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CS(=O)(=O)C5 −5.7 ± 0.2
4430 EN300-266565_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC(C5)C(=O)N −5.7 ± 0.3
4431 EN300-127487_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CC(=O)NC5 −5.7 ± 0.3
4432 EN300-117222_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5ncon5 −5.7 ± 0.2
4433 EN300-748981_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCCn6c5nnc6 −5.7 ± 0.3
4434 EN300-36096_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CN5CCCNC5=O −5.7 ± 0.2
4435 EN300-6746778_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCc5[nH]c(=O)ccn5 −5.7 ± 0.3
4436 EN300-7425555_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC[NH+](CC5)C6COC6 −5.7 ± 0.3
4437 EN300-212797_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H](C[NH+]5CCCC5)CO −5.7 ± 0.5
4438 EN300-6760278_1_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5C[C@H]6[C@H](O5)CCO6 −5.6 ± 0.3
4439 EN300-343474_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@H]5CCNC5=O −5.6 ± 0.3
4440 EN300-195590_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@@H]5CCCNC(=O)C5 −5.6 ± 0.3
4441 EN300-187348_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(=O)N(C5)C6CC6 −5.6 ± 0.2
4442 EN300-58880_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)C(=O)N −5.6 ± 0.2
4443 EN300-45049_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCS(=O)(=O)N5 −5.6 ± 0.3
4444 EN300-05277_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCC(=O)N5CCOCC5 −5.6 ± 0.3
4445 EN300-213215_2_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](C5)[N@@H+]6CC[C@H](C6)O −5.6 ± 0.4
4446 EN300-104029_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]6[C@H](C5)C(=O)NC6=O −5.6 ± 0.3
4447 EN300-7355519_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@@H]5C[C@H]6[C@@H](O5)CCO6 −5.6 ± 0.3
4448 EN300-205616_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@@H]5c6[nH]ncn6 −5.6 ± 0.3
4449 EN300-95094_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5CSC5 −5.6 ± 0.2
4450 EN300-304263_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[N@H+]([C@@H](C5)C(=O)N)C6CC6 −5.6 ± 0.3
4451 EN300-58821_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCN(CC5)C(=O)CO −5.6 ± 0.3
4452 EN300-193679_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@]5(CCCOC5)O −5.6 ± 0.4
4453 EN300-2666483_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cncc(n5)n6cccn6 −5.6 ± 0.3
4454 EN300-309457_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5C[NH+](C5)[C@@H]6CCOC6 −5.6 ± 0.3
4455 EN300-316386_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5COC[C@@H]5O −5.6 ± 0.3
4456 EN300-316386_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5COC[C@@H]5O −5.6 ± 0.3
4457 EN300-6730698_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)[NH+]6CC(C6)O −5.6 ± 0.3
4458 EN300-226334_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCC[N@H+](C5)CCCO −5.6 ± 0.4
4459 EN300-332002_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCc6n5c(=O)ccc6 −5.6 ± 0.3
4460 EN300-7442191_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(C[NH+]6CCC5CC6)O −5.6 ± 0.4
4461 EN300-109827_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCN6[C@@H](C5)COC6=O −5.6 ± 0.3
4462 EN300-262604_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cn5cnc(n5)C(=O)N −5.6 ± 0.3
4463 EN300-173903_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H]5CO −5.6 ± 0.4
4464 EN300-1911992_4_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]([C@H]5CCOC5)O −5.6 ± 0.3
4465 EN300-95639_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]([C@H](C5)O)CO −5.6 ± 0.3
4466 EN300-92012_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCN5C(=O)CCCC5=O −5.6 ± 0.3
4467 EN300-95642_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5c[nH]c(=O)[nH]c5=O −5.6 ± 0.2
4468 EN300-14437_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCS(=O)(=O)C5 −5.6 ± 0.3
4469 EN300-38979_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5ccnc5 −5.6 ± 0.2
4470 EN300-38979_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5ccnc5 −5.6 ± 0.2
4471 EN300-7442191_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(C[NH+]6CCC5CC6)O −5.6 ± 0.3
4472 EN300-1726277_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](n5cccn5)F −5.6 ± 0.2
4473 EN300-08033_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCS(=O)(=O)C5 −5.6 ± 0.3
4474 EN300-6474064_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)c6n[n-]nn6 −5.6 ± 0.2
4475 EN300-7355477_2_7 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6C[C@H]([C@@H](C[C@@H]6C5)O)O −5.6 ± 0.3
4476 EN300-3044054_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCC(=O)N5C6CC6 −5.6 ± 0.2
4477 EN300-169955_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5[C@@H](CC(=O)N5)C(F)(F)F −5.6 ± 0.2
4478 EN300-176135_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5nnc6n5nccc6 −5.6 ± 0.2
4479 EN300-210089_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5[C@H]6[C@H]5COC6 −5.6 ± 0.2
4480 EN300-262599_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]6COC(=O)N[C@@H]6C5 −5.6 ± 0.3
4481 EN300-379533_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(CC5)O −5.6 ± 0.3
4482 EN300-379533_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(CC5)O −5.6 ± 0.3
4483 EN300-1703415_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5COCCO5 −5.6 ± 0.3
4484 EN300-190026_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CO)[C@@H]5CCCO5 −5.6 ± 0.4
4485 EN300-6763991_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5nnc6n5CCOC6 −5.6 ± 0.3
4486 EN300-257949_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CC[C@@H]5O −5.6 ± 0.2
4487 EN300-6480951_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](C5)[C@@H]6CC(=O)NC6 −5.6 ± 0.3
4488 EN300-7355519_4_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@H]5C[C@@H]6[C@H](O5)CCO6 −5.6 ± 0.3
4489 EN300-1661036_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5(CC5)c6n[n-]nn6 −5.6 ± 0.3
4490 EN300-1661036_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5(CC5)c6n[n-]nn6 −5.6 ± 0.3
4491 EN300-118869_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](C5)NC(=O)N −5.6 ± 0.3
4492 EN300-75342_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCn5ccnc5 −5.6 ± 0.3
4493 EN300-75342_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCn5ccnc5 −5.6 ± 0.3
4494 EN300-322161_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[N@@H+]5CCn6ccnc6C5 −5.6 ± 0.3
4495 EN300-129424_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CC[C@H]5O −5.6 ± 0.2
4496 EN300-181558_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC5(CCC(CC5)O)O −5.6 ± 0.3
4497 EN300-251752_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H](Cn5ccnn5)O −5.6 ± 0.3
4498 EN300-2009745_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(=O)NC[C@H]5C(=O)N −5.6 ± 0.3
4499 EN300-731622_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@@H]5COCCO5 −5.6 ± 0.2
4500 EN300-93491_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5nnnn5C6CC6 −5.6 ± 0.3
Last updated 2020-12-09T19:38:12.118034+00:00
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